==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JUN-00 1F5Z . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.A.R.G.BARBOSA,B.J.SMITH,R.DEGORI,M.C.LAWRENCE . 1172 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 879 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.9 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 . 4 0.3 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 . 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 . 85 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 482 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.5 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 4 0 4 0 6 2 0 4 8 8 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 8 16 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 0 0 4 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 1 A M 0 0 196 0, 0.0 3,-0.1 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 130.0 63.7 24.3 53.9 2 2 A R - 0 0 97 1,-0.1 2,-0.3 99,-0.1 0, 0.0 -0.257 360.0-103.6 -53.4 137.1 63.3 27.8 55.2 3 3 A D - 0 0 98 1,-0.1 72,-0.1 72,-0.0 -1,-0.1 -0.493 32.3-171.2 -68.7 127.1 59.8 28.5 56.5 4 4 A L + 0 0 13 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.1 0.250 47.5 107.7-105.4 7.5 57.7 30.6 54.1 5 5 A K + 0 0 92 198,-0.1 198,-0.3 35,-0.1 2,-0.2 -0.330 57.2 38.4 -78.7 169.3 54.7 31.4 56.3 6 6 A G E S-a 203 0A 7 196,-2.1 198,-2.1 -2,-0.1 2,-0.7 -0.573 96.6 -7.5 102.0-154.4 53.9 34.8 57.7 7 7 A I E +a 204 0A 1 -2,-0.2 33,-2.6 196,-0.2 34,-1.5 -0.755 54.4 174.2-101.0 115.6 54.2 38.3 56.6 8 8 A F E -ab 205 41A 0 196,-2.6 198,-2.1 -2,-0.7 2,-0.3 -0.966 22.5-140.9-119.5 127.3 56.0 39.2 53.4 9 9 A S E -ab 206 42A 0 32,-1.6 34,-2.5 -2,-0.4 2,-0.9 -0.636 21.2-125.7 -80.2 140.0 56.2 42.7 51.8 10 10 A A E - b 0 43A 2 196,-2.5 2,-0.2 -2,-0.3 200,-0.2 -0.806 42.9-117.9 -83.3 111.7 55.8 42.8 48.0 11 11 A L - 0 0 1 32,-2.0 34,-0.4 -2,-0.9 35,-0.3 -0.387 24.6-153.8 -61.8 115.4 59.1 44.7 47.4 12 12 A L - 0 0 0 -2,-0.2 2,-0.4 195,-0.1 37,-0.2 -0.548 15.4-137.8 -80.5 150.9 58.8 48.1 45.8 13 13 A V - 0 0 3 35,-0.4 2,-0.5 -2,-0.2 10,-0.1 -0.946 6.3-129.9-117.1 139.4 61.9 49.3 43.8 14 14 A S - 0 0 0 -2,-0.4 8,-2.9 8,-0.3 2,-0.3 -0.792 27.3-168.1 -86.7 122.3 63.4 52.8 43.8 15 15 A F B -IJ 21 267B 0 252,-1.4 252,-2.5 -2,-0.5 6,-0.2 -0.819 17.7-124.7-112.7 147.2 64.0 54.2 40.3 16 16 A N > - 0 0 53 4,-3.2 3,-2.5 -2,-0.3 6,-0.1 -0.380 40.7 -94.4 -74.3 169.3 66.0 57.2 39.3 17 17 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 257,-0.1 0.778 126.8 54.8 -56.3 -29.4 64.4 60.0 37.3 18 18 A D T 3 S- 0 0 97 2,-0.1 -1,-0.3 251,-0.0 3,-0.1 0.341 120.8-105.4 -90.1 2.6 65.8 58.3 34.1 19 19 A G S < S+ 0 0 8 -3,-2.5 -2,-0.1 1,-0.3 2,-0.1 0.373 79.3 127.1 93.3 -8.8 64.2 55.0 34.9 20 20 A T S S- 0 0 54 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.483 70.9 -90.1 -81.5 159.6 67.4 53.2 36.0 21 21 A I B -I 15 0B 32 -6,-0.2 2,-0.9 -2,-0.1 -6,-0.3 -0.533 27.8-142.0 -74.0 134.9 67.4 51.4 39.3 22 22 A N > - 0 0 22 -8,-2.9 4,-2.3 -2,-0.2 -8,-0.3 -0.870 18.2-172.3 -94.1 96.6 68.5 53.5 42.3 23 23 A E H > S+ 0 0 72 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.879 80.1 54.1 -59.7 -43.9 70.5 50.9 44.2 24 24 A K H > S+ 0 0 152 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.949 112.9 44.1 -57.3 -43.7 71.1 53.0 47.3 25 25 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.903 110.8 53.4 -68.4 -39.4 67.3 53.6 47.7 26 26 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -12,-0.3 -1,-0.2 0.935 108.2 50.5 -65.0 -41.5 66.4 50.0 47.0 27 27 A R H X S+ 0 0 45 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.885 109.7 52.5 -60.5 -36.7 68.7 48.9 49.8 28 28 A Q H X S+ 0 0 65 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.911 107.5 49.7 -67.6 -39.8 67.0 51.5 52.0 29 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.910 112.6 49.3 -61.4 -42.9 63.6 50.1 51.2 30 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.958 110.8 48.1 -60.4 -54.7 64.9 46.6 52.0 31 31 A R H X>S+ 0 0 62 -4,-2.8 4,-3.3 1,-0.2 5,-0.5 0.917 110.5 52.8 -54.3 -43.2 66.4 47.7 55.3 32 32 A H H X>S+ 0 0 17 -4,-2.5 5,-2.3 1,-0.2 4,-2.3 0.934 110.4 47.0 -60.4 -44.2 63.2 49.4 56.3 33 33 A N H <5S+ 0 0 0 -4,-2.2 6,-1.7 3,-0.2 5,-0.3 0.935 120.6 37.6 -61.6 -48.7 61.1 46.3 55.7 34 34 A I H <5S+ 0 0 19 -4,-2.6 4,-0.2 4,-0.2 -2,-0.2 0.954 127.8 32.6 -68.7 -50.9 63.4 44.1 57.6 35 35 A D H <5S+ 0 0 65 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.834 134.5 19.9 -79.9 -34.9 64.4 46.4 60.4 36 36 A K T < >S- 0 0 2 -3,-0.4 3,-1.7 -35,-0.3 5,-1.2 -0.282 77.4 -81.3 -86.9-174.9 56.2 40.9 41.6 47 47 A S G > 5S+ 0 0 4 1,-0.3 3,-1.8 2,-0.2 5,-0.2 0.912 131.8 58.9 -52.0 -46.9 53.7 43.3 39.9 48 48 A T G 3 5S+ 0 0 20 1,-0.3 -35,-0.4 2,-0.1 -1,-0.3 0.740 95.7 62.4 -53.4 -27.7 54.4 45.6 42.9 49 49 A G G < 5S- 0 0 2 -3,-1.7 -1,-0.3 -37,-0.2 -2,-0.2 0.392 114.6-115.7 -82.7 7.1 58.1 45.8 42.0 50 50 A E T X 5 + 0 0 0 -3,-1.8 3,-1.8 -4,-0.2 4,-0.2 0.650 66.3 152.3 63.2 25.8 57.2 47.3 38.6 51 51 A N G > < + 0 0 6 -5,-1.2 3,-1.7 1,-0.3 -4,-0.1 0.781 54.5 58.6 -53.5 -44.7 58.7 44.1 37.2 52 52 A F G 3 S+ 0 0 17 1,-0.3 -1,-0.3 -5,-0.2 913,-0.2 0.528 100.2 58.5 -76.6 2.1 56.8 43.8 34.0 53 53 A M G < S+ 0 0 0 -3,-1.8 915,-0.3 913,-0.1 -1,-0.3 0.340 97.2 85.9-104.7 2.6 58.1 47.2 32.7 54 54 A L S < S- 0 0 7 -3,-1.7 912,-0.1 -4,-0.2 2,-0.1 -0.621 75.2-115.2-113.6 160.5 61.7 46.1 33.0 55 55 A S > - 0 0 41 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.367 37.1-105.6 -79.6 171.1 64.4 44.3 31.0 56 56 A T H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.877 120.0 54.7 -67.0 -40.3 65.8 41.0 32.0 57 57 A E H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 108.8 48.4 -60.4 -40.7 69.1 42.5 33.1 58 58 A E H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 109.3 53.1 -66.0 -38.1 67.3 45.0 35.4 59 59 A K H X S+ 0 0 9 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.957 110.0 48.0 -62.8 -44.8 65.3 42.1 36.8 60 60 A K H X S+ 0 0 32 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.916 109.3 54.3 -58.5 -42.8 68.5 40.3 37.6 61 61 A E H X S+ 0 0 67 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.909 107.8 48.8 -58.4 -45.1 70.0 43.5 39.1 62 62 A I H X S+ 0 0 9 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.923 113.0 47.7 -62.7 -43.8 67.0 43.8 41.5 63 63 A F H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.897 111.8 50.7 -65.1 -44.0 67.4 40.1 42.5 64 64 A R H X S+ 0 0 76 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.953 114.7 42.6 -55.7 -54.3 71.1 40.5 43.0 65 65 A I H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.935 112.6 52.8 -60.5 -47.8 70.7 43.6 45.3 66 66 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.927 113.4 42.7 -58.3 -43.9 67.8 42.2 47.3 67 67 A K H X S+ 0 0 35 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.900 114.5 50.2 -70.2 -36.8 69.7 39.0 48.2 68 68 A D H < S+ 0 0 78 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.897 115.9 43.2 -70.1 -35.5 72.9 40.8 48.9 69 69 A E H < S+ 0 0 35 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.900 121.4 36.9 -76.2 -44.1 71.2 43.2 51.2 70 70 A A H >< S+ 0 0 0 -4,-2.5 3,-2.2 -5,-0.3 4,-0.2 0.836 81.7 171.9 -78.4 -28.9 68.9 40.8 53.0 71 71 A K T 3< S- 0 0 111 -4,-2.7 -1,-0.2 -5,-0.3 3,-0.2 -0.438 71.8 -32.6 56.6-123.5 71.5 38.0 53.2 72 72 A D T 3 S+ 0 0 119 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.225 112.0 103.3-110.6 14.2 70.0 35.3 55.4 73 73 A Q S < S+ 0 0 93 -3,-2.2 2,-0.3 2,-0.0 -1,-0.1 0.837 89.7 11.7 -65.9 -38.7 68.0 37.6 57.7 74 74 A I S S- 0 0 9 -4,-0.2 -33,-0.2 -3,-0.2 2,-0.1 -0.877 88.1 -86.5-133.9 170.1 64.6 36.9 56.1 75 75 A A E -c 41 0A 1 -35,-2.4 -33,-2.2 -2,-0.3 2,-0.4 -0.433 41.2-156.5 -74.7 146.3 62.9 34.5 53.7 76 76 A L E -c 42 0A 1 -35,-0.2 25,-2.0 23,-0.2 26,-1.1 -0.973 10.9-171.3-133.1 126.0 63.1 35.5 50.0 77 77 A I E -cd 43 102A 0 -35,-2.3 -33,-2.4 -2,-0.4 2,-0.6 -0.930 15.1-145.4-113.9 135.6 60.8 34.5 47.1 78 78 A A E -cd 44 103A 0 24,-2.5 26,-2.4 -2,-0.4 2,-0.8 -0.903 2.1-153.3-105.9 113.7 61.7 35.3 43.5 79 79 A Q E + d 0 104A 1 -35,-2.9 26,-0.2 -2,-0.6 24,-0.1 -0.782 28.4 159.2 -88.5 113.2 58.9 36.1 41.1 80 80 A V + 0 0 1 24,-3.1 11,-0.2 -2,-0.8 25,-0.2 0.316 23.4 129.6-119.5 2.9 60.2 35.1 37.7 81 81 A G + 0 0 0 23,-0.7 2,-0.3 10,-0.1 26,-0.1 -0.164 23.0 141.4 -61.0 156.6 57.1 34.7 35.7 82 82 A S - 0 0 6 24,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.985 64.0 -93.5-179.2 172.7 56.5 36.3 32.3 83 83 A V S S+ 0 0 10 -2,-0.3 2,-0.8 25,-0.1 -1,-0.1 0.789 110.4 74.0 -74.4 -25.7 55.0 35.9 28.8 84 84 A N > - 0 0 12 1,-0.2 4,-2.0 852,-0.1 852,-0.1 -0.841 64.7-170.8 -91.1 109.1 58.5 34.8 27.7 85 85 A L H > S+ 0 0 5 -2,-0.8 4,-2.3 1067,-0.4 5,-0.2 0.839 87.5 54.6 -71.6 -33.0 59.0 31.2 29.1 86 86 A K H > S+ 0 0 92 849,-0.4 4,-2.2 1066,-0.3 -1,-0.2 0.905 109.5 48.5 -67.7 -35.8 62.7 31.3 28.1 87 87 A E H > S+ 0 0 16 848,-0.2 4,-3.1 2,-0.2 5,-0.3 0.964 110.2 52.4 -64.7 -39.1 63.1 34.5 30.1 88 88 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.882 110.7 45.7 -65.3 -41.2 61.3 32.9 33.0 89 89 A V H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.914 113.5 50.8 -65.1 -49.2 63.6 29.9 33.0 90 90 A E H X S+ 0 0 85 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.935 114.9 42.1 -53.2 -51.2 66.7 32.2 32.7 91 91 A L H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.900 112.1 55.0 -66.4 -38.3 65.5 34.3 35.7 92 92 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.939 110.4 45.7 -61.9 -45.2 64.5 31.2 37.7 93 93 A K H X S+ 0 0 90 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.926 112.3 51.6 -64.0 -43.2 68.0 29.8 37.3 94 94 A Y H X S+ 0 0 45 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.900 113.3 43.2 -61.6 -47.1 69.6 33.1 38.2 95 95 A A H X>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 4,-0.6 0.869 113.4 53.0 -67.2 -34.0 67.5 33.5 41.4 96 96 A T H ><5S+ 0 0 42 -4,-2.3 3,-2.1 -5,-0.3 -2,-0.2 0.966 107.7 49.9 -63.5 -50.6 68.1 29.9 42.3 97 97 A E H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.1 57.8 -55.5 -36.9 71.9 30.2 41.9 98 98 A L H 3<5S- 0 0 49 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.678 121.2-108.7 -70.5 -16.6 71.6 33.3 44.2 99 99 A G T <<5 + 0 0 36 -3,-2.1 -3,-0.2 -4,-0.6 -23,-0.2 0.547 53.2 169.7 101.3 9.8 69.9 31.3 47.0 100 100 A Y < - 0 0 11 -5,-2.4 -1,-0.2 1,-0.1 -23,-0.2 -0.332 36.5-131.1 -56.3 145.7 66.4 32.5 46.8 101 101 A D S S- 0 0 40 -25,-2.0 31,-0.3 1,-0.2 2,-0.3 0.766 77.6 -7.9 -71.6 -32.7 64.2 30.3 49.0 102 102 A C E -d 77 0A 0 -26,-1.1 -24,-2.5 29,-0.1 2,-0.2 -0.973 65.2-123.7-158.8 155.8 61.5 29.7 46.4 103 103 A L E -de 78 133A 1 29,-2.4 31,-1.5 -2,-0.3 2,-0.3 -0.678 19.6-168.6 -97.7 163.7 60.3 30.8 43.0 104 104 A S E -de 79 134A 0 -26,-2.4 -24,-3.1 -2,-0.2 -23,-0.7 -0.984 1.3-169.0-148.2 142.9 57.0 32.2 42.0 105 105 A A E - e 0 135A 0 29,-1.5 31,-2.2 -2,-0.3 -26,-0.1 -0.989 20.3-129.1-142.2 128.6 55.5 32.9 38.6 106 106 A V E - e 0 136A 0 -2,-0.4 -24,-0.3 29,-0.2 31,-0.2 -0.307 47.2 -89.1 -61.9 157.5 52.4 34.8 37.5 107 107 A T - 0 0 2 29,-1.1 -1,-0.1 -26,-0.1 37,-0.1 -0.507 56.4 -96.5 -64.7 136.8 50.1 32.8 35.1 108 108 A P - 0 0 2 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.339 59.0-176.2 -56.0 137.4 51.4 33.5 31.5 109 109 A F + 0 0 11 3,-0.1 2,-2.0 -3,-0.1 33,-0.1 -0.528 44.6 56.2-130.6-165.6 49.2 36.4 30.2 110 110 A Y S S+ 0 0 8 32,-0.3 2,-0.0 913,-0.2 882,-0.0 -0.574 103.5 61.9 73.5 -79.5 48.5 38.6 27.1 111 111 A Y S S- 0 0 10 -2,-2.0 2,-1.6 1,-0.1 912,-0.0 -0.329 99.0-113.0 -69.5 156.7 47.8 35.5 24.9 112 112 A K - 0 0 119 -3,-0.0 -1,-0.1 -2,-0.0 -3,-0.1 -0.579 43.5-166.1 -89.1 78.4 44.9 33.4 26.0 113 113 A F - 0 0 24 -2,-1.6 2,-0.1 -5,-0.2 1041,-0.1 -0.324 17.4-118.2 -69.3 149.8 46.8 30.3 27.0 114 114 A S > - 0 0 48 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.323 28.3-108.3 -74.2 161.6 45.1 26.9 27.6 115 115 A F H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.938 121.1 52.8 -58.9 -45.3 45.3 25.3 31.0 116 116 A P H > S+ 0 0 88 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.893 109.3 50.9 -58.4 -39.0 47.7 22.6 29.7 117 117 A E H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.907 110.9 47.8 -63.5 -39.8 49.9 25.4 28.3 118 118 A I H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.921 113.0 48.8 -64.6 -46.1 49.8 27.1 31.8 119 119 A K H X S+ 0 0 39 -4,-2.9 4,-3.0 -5,-0.2 5,-0.2 0.968 110.2 49.6 -58.3 -45.4 50.6 23.8 33.5 120 120 A H H X S+ 0 0 75 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.878 108.1 57.2 -63.6 -36.8 53.6 23.1 31.1 121 121 A Y H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.983 110.5 40.6 -58.1 -53.8 54.7 26.6 31.8 122 122 A 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0.950 107.4 45.5 -70.8 -49.5 34.6 30.4 48.3 172 172 A L H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.894 110.8 54.8 -57.0 -41.3 37.5 29.2 46.1 173 173 A L H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.929 110.2 45.1 -60.6 -48.4 40.0 30.0 49.0 174 174 A E H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.930 112.4 52.7 -60.6 -41.8 37.9 27.8 51.4 175 175 A R H X S+ 0 0 14 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.905 108.2 50.7 -60.6 -41.4 37.7 25.1 48.6 176 176 A L H X S+ 0 0 3 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.917 111.3 47.8 -61.4 -46.6 41.5 25.2 48.2 177 177 A K H < S+ 0 0 26 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.916 115.7 45.3 -59.6 -45.1 42.0 24.8 52.0 178 178 A K H < S+ 0 0 80 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.954 119.7 37.9 -63.1 -53.1 39.5 21.9 52.0 179 179 A A H < S+ 0 0 46 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.796 128.2 29.9 -72.2 -36.9 40.8 20.0 49.0 180 180 A Y >< + 0 0 53 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 -0.562 63.7 165.6-127.6 74.8 44.6 20.6 49.5 181 181 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.676 77.7 53.1 -64.3 -19.7 45.3 21.0 53.2 182 182 A N T 3 S+ 0 0 151 2,-0.1 2,-0.4 -20,-0.0 -5,-0.1 0.433 92.3 91.0 -95.6 2.3 49.1 20.6 52.8 183 183 A H S < S- 0 0 45 -3,-2.1 -21,-0.2 -7,-0.2 2,-0.1 -0.811 76.1-124.8-100.6 136.9 49.3 23.3 50.2 184 184 A L E -g 162 0A 38 -23,-2.3 -21,-2.3 -2,-0.4 2,-0.4 -0.400 16.6-159.5 -81.2 150.8 50.0 26.9 51.4 185 185 A I E -g 163 0A 2 -23,-0.2 17,-1.9 15,-0.2 18,-1.1 -0.995 2.4-167.7-128.2 128.6 47.9 30.0 50.7 186 186 A W E -gh 164 203A 0 -23,-2.7 -21,-2.7 -2,-0.4 18,-0.3 -0.973 24.4-128.2-115.4 121.3 49.2 33.6 50.9 187 187 A A E -gh 165 204A 7 16,-2.4 18,-2.8 -2,-0.5 -21,-0.2 -0.488 20.0-172.1 -67.3 138.9 46.6 36.3 50.8 188 188 A G + 0 0 9 -23,-2.1 2,-0.9 -21,-0.3 19,-0.3 0.564 63.6 82.4-106.1 -14.6 47.3 39.1 48.3 189 189 A F > - 0 0 60 -24,-0.5 3,-1.8 -22,-0.3 7,-0.2 -0.779 55.8-171.5-101.8 98.8 44.6 41.6 49.2 190 190 A D G > S+ 0 0 11 -2,-0.9 3,-1.2 1,-0.3 4,-0.2 0.851 84.7 57.2 -54.6 -36.8 45.9 43.6 52.2 191 191 A E G 3 S+ 0 0 33 1,-0.3 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189 B F > - 0 0 9 -24,-0.5 3,-1.8 1,-0.2 7,-0.2 -0.776 55.9-170.6 -98.3 102.0 21.5 48.9 16.5 484 190 B D G > S+ 0 0 8 -2,-0.8 3,-1.0 1,-0.3 4,-0.2 0.814 85.2 57.8 -61.9 -32.2 20.5 52.1 14.6 485 191 B E G 3 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.1 571,-0.1 0.419 110.5 45.0 -77.2 -6.2 24.0 53.5 14.7 486 192 B M G <> S+ 0 0 12 -3,-1.8 4,-1.6 2,-0.1 -1,-0.2 -0.044 74.4 118.3-127.4 28.8 25.3 50.4 12.9 487 193 B M H <> S+ 0 0 3 -3,-1.0 4,-3.4 2,-0.2 5,-0.2 0.928 70.3 57.0 -62.2 -50.2 22.7 50.1 10.2 488 194 B L H > S+ 0 0 0 1,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.943 109.9 41.6 -50.3 -59.8 25.1 50.5 7.3 489 195 B P H > S+ 0 0 2 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.847 115.6 51.7 -62.5 -28.9 27.4 47.6 8.2 490 196 B A H ><>S+ 0 0 0 -4,-1.6 5,-1.4 1,-0.2 3,-1.0 0.934 110.9 47.6 -69.7 -46.5 24.4 45.4 9.1 491 197 B A H ><5S+ 0 0 3 -4,-3.4 3,-1.6 1,-0.2 -1,-0.2 0.787 101.7 66.4 -61.7 -29.3 22.8 46.2 5.7 492 198 B S H 3<5S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 101.6 48.4 -64.1 -27.5 26.2 45.4 4.1 493 199 B L T <<5S- 0 0 3 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.131 126.8 -99.7 -95.8 15.0 25.8 41.8 5.1 494 200 B G T < 5 + 0 0 18 -3,-1.6 -3,-0.2 1,-0.2 -15,-0.2 0.755 51.8 179.1 76.6 29.2 22.2 41.6 3.8 495 201 B V < - 0 0 2 -5,-1.4 -1,-0.2 1,-0.1 -15,-0.1 -0.318 27.8-135.3 -57.5 153.4 20.0 42.0 6.9 496 202 B D - 0 0 28 -17,-1.4 -196,-2.2 1,-0.1 2,-0.3 0.615 68.9 -28.3 -87.9 -15.2 16.4 42.0 6.0 497 203 B G E -kr 300 480C 0 -18,-1.1 -16,-2.4 -198,-0.3 2,-0.3 -0.965 57.8-116.5-176.8-171.3 15.2 44.9 8.0 498 204 B A E -kr 301 481C 2 -198,-2.5 -196,-2.7 -18,-0.3 2,-0.5 -0.987 7.0-158.0-154.0 141.4 15.8 47.0 11.1 499 205 B I E +k 302 0C 2 -18,-2.2 2,-0.3 -2,-0.3 -196,-0.2 -1.000 31.8 163.4-123.5 119.3 13.9 47.7 14.3 500 206 B G E -k 303 0C 2 -198,-2.2 -196,-2.3 -2,-0.5 4,-0.2 -0.991 47.0-141.8-147.8 149.4 15.0 50.9 16.0 501 207 B S S > S+ 0 0 18 -2,-0.3 3,-1.1 -19,-0.3 4,-0.1 0.848 102.7 57.8 -74.2 -29.0 14.0 53.4 18.6 502 208 B T T >> S+ 0 0 5 1,-0.3 4,-3.5 2,-0.2 3,-2.1 0.721 86.6 77.7 -81.4 -9.8 15.4 56.4 16.6 503 209 B F H 3> S+ 0 0 4 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.675 76.3 76.0 -71.3 -18.9 13.2 55.6 13.6 504 210 B N H <4 S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.690 120.5 11.1 -60.2 -24.1 10.3 57.2 15.6 505 211 B V H <4 S+ 0 0 10 -3,-2.1 -2,-0.2 -4,-0.1 3,-0.2 0.631 136.9 42.4-125.0 -23.1 12.1 60.6 14.6 506 212 B N H X + 0 0 4 -4,-3.5 4,-2.0 1,-0.2 3,-0.3 -0.012 67.9 126.0-117.0 34.0 14.7 59.7 12.0 507 213 B G H X + 0 0 1 -4,-0.8 4,-2.4 1,-0.2 5,-0.2 0.799 68.8 61.5 -61.5 -32.8 12.8 57.2 9.8 508 214 B V H > S+ 0 0 80 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.958 110.9 37.3 -59.2 -54.9 13.5 59.1 6.6 509 215 B R H > S+ 0 0 57 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.817 112.1 58.9 -64.0 -40.9 17.3 58.8 6.9 510 216 B A H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.955 107.6 47.7 -58.8 -43.0 17.1 55.2 8.3 511 217 B R H X S+ 0 0 51 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.894 111.3 50.7 -62.2 -41.1 15.2 54.2 5.1 512 218 B Q H X S+ 0 0 84 -4,-1.7 4,-3.4 2,-0.2 5,-0.3 0.933 108.9 50.4 -64.6 -44.3 17.8 56.0 2.9 513 219 B I H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.937 114.1 45.9 -56.9 -48.0 20.8 54.3 4.6 514 220 B F H X S+ 0 0 16 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.885 117.2 42.0 -61.3 -51.7 19.1 50.9 4.1 515 221 B E H X S+ 0 0 104 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.933 116.4 47.9 -67.1 -40.1 18.1 51.5 0.5 516 222 B L H <>S+ 0 0 34 -4,-3.4 5,-2.3 -5,-0.2 4,-0.4 0.928 112.1 49.9 -67.0 -44.2 21.5 53.1 -0.5 517 223 B T H ><5S+ 0 0 0 -4,-2.7 3,-2.4 -5,-0.3 -1,-0.2 0.964 106.9 55.2 -60.4 -46.8 23.5 50.3 1.2 518 224 B K H 3<5S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.883 106.7 51.1 -57.2 -34.6 21.5 47.6 -0.6 519 225 B A T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.529 118.9-110.4 -81.1 -4.1 22.3 49.2 -4.0 520 226 B G T < 5S+ 0 0 13 -3,-2.4 2,-1.5 -4,-0.4 3,-0.2 0.639 76.3 136.6 86.5 12.1 26.1 49.3 -3.2 521 227 B K >< + 0 0 98 -5,-2.3 4,-1.8 1,-0.2 -1,-0.2 -0.580 21.3 158.9 -94.4 66.1 26.1 53.1 -2.9 522 228 B L H > + 0 0 13 -2,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.852 63.6 50.8 -59.9 -44.2 28.2 53.0 0.2 523 229 B K H > S+ 0 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