==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-OCT-11 4A3Q . COMPND 2 MOLECULE: ALANINE RACEMASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR E.R.SCALETTI,S.R.LUCKNER,K.L.KRAUSE . 712 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 7 1.0 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 . 65 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 2 8 2 1 3 2 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 6 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 5 6 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 4 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 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 S 0 0 121 0, 0.0 352,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -67.9 53.6 111.9 24.6 2 3 A D - 0 0 41 350,-2.7 2,-0.2 1,-0.0 350,-0.2 -0.415 360.0-135.6 -69.2 143.6 51.0 112.3 27.4 3 4 A K - 0 0 147 351,-0.1 2,-0.3 -2,-0.1 354,-0.1 -0.621 18.9-159.5 -86.8 159.7 52.0 112.2 31.1 4 5 A Y - 0 0 54 -2,-0.2 350,-0.0 337,-0.0 3,-0.0 -0.997 14.4-158.8-145.2 151.8 50.0 110.2 33.7 5 6 A Y + 0 0 15 -2,-0.3 420,-0.5 3,-0.0 2,-0.3 -0.003 66.6 65.5-125.5 27.7 49.8 110.4 37.4 6 7 A R S S- 0 0 19 2,-0.2 2,-2.3 418,-0.1 440,-0.1 -0.979 78.3-120.5-149.1 137.9 48.5 107.1 38.7 7 8 A S S S+ 0 0 14 -2,-0.3 236,-2.3 236,-0.1 2,-0.3 -0.298 82.3 91.9 -81.2 59.4 50.1 103.7 38.6 8 9 A A E +A 242 0A 0 -2,-2.3 2,-0.3 234,-0.2 234,-0.2 -0.966 49.0 132.8-148.5 133.0 47.4 101.9 36.6 9 10 A Y E -A 241 0A 39 232,-2.4 232,-2.6 -2,-0.3 2,-0.4 -0.974 47.1-104.7-167.9 169.7 47.5 101.6 32.9 10 11 A M E -Ab 240 342A 1 331,-2.7 333,-3.3 -2,-0.3 2,-0.5 -0.916 20.9-145.0-107.0 139.0 47.1 99.5 29.8 11 12 A N E -Ab 239 343A 25 228,-2.1 228,-1.8 -2,-0.4 2,-0.5 -0.910 17.0-165.1 -96.2 126.7 50.0 98.4 27.6 12 13 A V E -Ab 238 344A 0 331,-3.1 333,-2.9 -2,-0.5 2,-1.0 -0.965 8.1-151.8-117.0 117.9 48.9 98.3 24.0 13 14 A D E > - b 0 345A 45 224,-2.6 4,-1.4 -2,-0.5 333,-0.1 -0.747 14.1-179.2 -93.0 100.0 51.2 96.4 21.6 14 15 A L H > S+ 0 0 2 331,-2.2 4,-2.5 -2,-1.0 5,-0.2 0.809 81.7 60.9 -69.7 -30.2 50.8 98.0 18.2 15 16 A N H > S+ 0 0 64 330,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.896 103.7 50.3 -62.7 -41.2 53.3 95.4 16.7 16 17 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 219,-0.4 0.886 110.5 50.3 -60.9 -40.7 50.9 92.6 17.7 17 18 A V H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.933 111.0 47.4 -64.5 -45.7 48.0 94.4 16.0 18 19 A A H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.900 112.2 51.4 -62.1 -41.9 50.0 94.9 12.8 19 20 A S H X S+ 0 0 33 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.936 110.4 47.4 -60.4 -45.6 51.0 91.3 12.9 20 21 A N H X S+ 0 0 0 -4,-2.7 4,-1.5 197,-0.3 -2,-0.2 0.874 110.3 53.3 -62.7 -36.7 47.4 90.1 13.4 21 22 A F H X S+ 0 0 13 -4,-2.3 4,-1.9 196,-0.3 -1,-0.2 0.923 106.4 53.0 -61.6 -46.3 46.3 92.4 10.5 22 23 A K H X S+ 0 0 131 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.845 101.3 60.5 -58.7 -36.4 49.0 90.8 8.3 23 24 A V H X S+ 0 0 27 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.941 106.2 47.9 -53.3 -48.0 47.5 87.3 9.2 24 25 A F H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.896 112.5 46.1 -64.4 -42.3 44.2 88.4 7.6 25 26 A S H < S+ 0 0 31 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.833 112.7 52.0 -73.4 -26.6 45.8 89.8 4.5 26 27 A T H < S+ 0 0 96 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.942 111.1 46.2 -69.6 -46.6 47.9 86.7 4.2 27 28 A L H < S+ 0 0 71 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.841 127.8 29.8 -57.9 -36.7 44.8 84.4 4.5 28 29 A H >< + 0 0 17 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.3 -0.644 66.1 164.6-130.3 75.6 43.0 86.6 1.9 29 30 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.713 79.0 50.2 -63.2 -25.7 45.5 88.2 -0.6 30 31 A N T 3 S+ 0 0 149 2,-0.1 2,-0.4 180,-0.0 -5,-0.1 0.314 98.3 82.5 -99.1 8.3 42.7 89.2 -3.0 31 32 A K S < S- 0 0 38 -3,-1.5 2,-0.4 -6,-0.2 179,-0.3 -0.873 80.1-116.8-115.4 145.8 40.4 90.9 -0.5 32 33 A T E -g 210 0B 40 177,-2.4 179,-2.5 -2,-0.4 2,-1.0 -0.632 29.0-135.8 -70.2 127.9 40.4 94.4 0.9 33 34 A V E -g 211 0B 10 -2,-0.4 2,-1.3 177,-0.2 27,-0.5 -0.809 16.4-163.2 -90.1 100.3 40.9 94.1 4.6 34 35 A M E -l 60 0C 0 177,-2.9 2,-0.3 -2,-1.0 27,-0.2 -0.718 16.0-147.3 -85.5 93.7 38.4 96.5 6.1 35 36 A A E -l 61 0C 0 25,-1.7 27,-2.1 -2,-1.3 2,-0.7 -0.495 5.3-137.5 -69.6 123.3 39.8 96.8 9.6 36 37 A V E +l 62 0C 5 177,-2.5 27,-0.2 -2,-0.3 181,-0.1 -0.739 34.8 161.4 -87.3 114.5 37.1 97.3 12.2 37 38 A V > + 0 0 1 25,-2.3 4,-1.8 -2,-0.7 3,-0.3 -0.014 25.5 139.5-122.6 23.9 38.2 99.9 14.7 38 39 A K H > + 0 0 32 24,-0.5 4,-1.9 1,-0.2 3,-0.2 -0.178 58.3 34.6 -61.3 163.6 34.7 100.8 16.1 39 40 A A H > S- 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.889 143.3 -53.9 52.7 45.7 34.3 101.4 19.8 40 41 A N H 4>S- 0 0 23 -3,-0.3 5,-3.0 1,-0.2 -1,-0.2 0.889 106.0 -54.2 58.5 43.4 37.7 103.0 20.1 41 42 A A H ><5S- 0 0 0 -4,-1.8 3,-2.4 1,-0.2 -1,-0.2 0.956 104.7 -53.7 47.9 55.9 39.2 99.9 18.5 42 43 A Y H 3<5S- 0 0 11 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.822 112.1 -45.8 54.1 34.9 37.6 97.7 21.1 43 44 A G T 3<5S+ 0 0 5 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.259 121.4 101.0 97.8 -11.3 39.2 99.8 23.8 44 45 A L T < 5S- 0 0 0 -3,-2.4 -3,-0.2 -4,-0.1 -2,-0.1 0.809 99.2 -90.2 -77.8 -32.1 42.8 100.0 22.4 45 46 A G >< - 0 0 6 -5,-3.0 4,-2.2 -6,-0.1 5,-0.2 0.414 28.6-141.3 120.1 104.9 42.3 103.5 21.0 46 47 A S H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.835 95.9 53.1 -63.8 -37.2 41.0 103.9 17.4 47 48 A V H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.966 113.9 40.1 -62.9 -53.3 43.3 106.8 16.4 48 49 A K H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.908 119.2 47.9 -65.9 -41.7 46.6 105.2 17.4 49 50 A V H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.941 113.6 45.6 -63.3 -48.3 45.5 101.9 16.0 50 51 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 -2,-0.2 0.920 112.4 51.3 -64.3 -43.2 44.2 103.2 12.7 51 52 A R H X S+ 0 0 100 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.940 112.6 47.1 -56.6 -46.4 47.4 105.4 12.2 52 53 A H H X S+ 0 0 10 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.924 111.7 50.0 -63.1 -40.8 49.5 102.3 12.9 53 54 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-1.0 0.902 107.7 52.9 -66.3 -40.0 47.5 100.1 10.5 54 55 A M H ><5S+ 0 0 56 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.897 104.5 56.5 -59.5 -38.7 47.7 102.7 7.7 55 56 A E H 3<5S+ 0 0 123 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.700 109.2 49.3 -64.7 -18.9 51.5 102.7 8.2 56 57 A N T <<5S- 0 0 81 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.063 132.9 -83.2-110.6 26.4 51.2 98.9 7.5 57 58 A G T < 5S+ 0 0 55 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.299 75.3 147.5 100.9 -8.3 49.1 99.0 4.4 58 59 A A < + 0 0 3 -5,-2.4 -1,-0.3 1,-0.1 21,-0.1 -0.451 12.1 168.0 -67.2 130.8 45.5 99.4 5.7 59 60 A T + 0 0 90 -26,-0.3 21,-2.1 1,-0.2 2,-0.3 0.351 59.5 48.2-120.2 -4.3 43.4 101.4 3.2 60 61 A F E -lm 34 80C 0 -27,-0.5 -25,-1.7 19,-0.2 2,-0.3 -0.968 58.9-176.0-147.7 125.5 39.8 100.8 4.5 61 62 A F E -lm 35 81C 0 19,-2.6 21,-2.5 -2,-0.3 2,-0.4 -0.899 12.4-150.8-118.3 154.0 38.3 101.0 8.0 62 63 A A E +lm 36 82C 0 -27,-2.1 -25,-2.3 -2,-0.3 -24,-0.5 -0.974 18.4 177.2-119.2 135.2 34.9 100.3 9.4 63 64 A V E - m 0 83C 0 19,-3.1 21,-3.2 -2,-0.4 22,-0.3 -0.821 34.4-124.6-127.4 173.4 33.5 102.1 12.5 64 65 A A S S+ 0 0 5 -2,-0.3 21,-1.2 19,-0.2 2,-0.3 0.812 87.4 20.7 -85.2 -33.3 30.1 102.0 14.3 65 66 A T S > S- 0 0 8 19,-0.1 4,-1.3 18,-0.1 3,-0.2 -0.911 73.1-114.2-138.6 160.5 29.2 105.7 14.2 66 67 A L H > S+ 0 0 1 298,-0.5 4,-2.8 -2,-0.3 5,-0.3 0.843 114.9 60.7 -64.6 -33.6 30.0 108.9 12.3 67 68 A D H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 104.7 49.1 -57.2 -43.6 31.6 110.4 15.4 68 69 A E H > S+ 0 0 3 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.836 112.0 49.7 -61.7 -37.4 34.1 107.6 15.3 69 70 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.884 111.4 46.0 -72.6 -40.4 34.7 108.3 11.6 70 71 A I H X S+ 0 0 9 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.894 106.7 60.6 -70.6 -36.6 35.2 112.1 12.1 71 72 A E H < S+ 0 0 6 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.918 107.9 44.9 -52.4 -45.1 37.5 111.3 15.0 72 73 A L H ><>S+ 0 0 0 -4,-1.4 5,-2.1 1,-0.2 3,-1.4 0.942 112.1 50.4 -64.7 -49.1 39.7 109.4 12.6 73 74 A R H ><5S+ 0 0 52 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.835 106.2 56.6 -55.7 -38.9 39.6 112.1 9.9 74 75 A M T 3<5S+ 0 0 91 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.617 106.3 52.6 -68.7 -16.5 40.5 114.8 12.5 75 76 A H T < 5S- 0 0 69 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 -0.026 129.0 -86.6-114.4 31.6 43.7 112.8 13.3 76 77 A G T < 5S+ 0 0 48 -3,-1.1 2,-0.6 1,-0.2 -3,-0.2 0.463 74.1 149.6 88.3 0.9 45.1 112.4 9.8 77 78 A I < + 0 0 4 -5,-2.1 -1,-0.2 1,-0.2 -2,-0.1 -0.589 12.0 169.0 -73.2 117.0 43.3 109.2 8.7 78 79 A T + 0 0 116 -2,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.488 39.1 110.6-105.7 -9.1 42.9 109.5 4.9 79 80 A A S S- 0 0 7 1,-0.1 -19,-0.2 -21,-0.1 2,-0.1 -0.082 83.1 -84.9 -58.8 162.9 41.7 105.8 4.3 80 81 A K E -m 60 0C 68 -21,-2.1 -19,-2.6 20,-0.1 2,-0.4 -0.469 48.6-159.7 -64.0 143.8 38.1 105.0 3.2 81 82 A I E -m 61 0C 2 18,-0.5 20,-3.1 -21,-0.2 2,-0.5 -1.000 8.1-161.6-131.6 130.5 35.9 104.7 6.2 82 83 A L E -mn 62 101C 0 -21,-2.5 -19,-3.1 -2,-0.4 2,-0.6 -0.970 12.9-143.6-110.5 129.7 32.5 103.0 6.4 83 84 A V E -m 63 0C 1 18,-2.4 20,-0.5 -2,-0.5 -19,-0.2 -0.843 11.7-166.8 -84.4 120.1 30.0 103.7 9.2 84 85 A L + 0 0 29 -21,-3.2 -20,-0.2 -2,-0.6 -1,-0.1 0.724 65.5 65.1 -81.2 -29.0 28.3 100.3 10.0 85 86 A G S S- 0 0 23 -21,-1.2 18,-0.7 -22,-0.3 2,-0.6 -0.182 98.7 -81.5 -85.7-173.7 25.5 101.8 12.1 86 87 A V - 0 0 14 16,-0.1 18,-0.1 -2,-0.1 -1,-0.1 -0.800 37.7-142.7-100.2 118.2 22.6 104.0 11.0 87 88 A L - 0 0 3 -2,-0.6 2,-0.1 16,-0.4 278,-0.1 -0.586 29.0-105.6 -72.4 135.7 23.3 107.8 10.7 88 89 A P > - 0 0 19 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.486 33.7-127.3 -54.8 129.8 20.5 110.2 11.7 89 90 A A G > S+ 0 0 8 1,-0.3 3,-1.6 2,-0.2 27,-0.1 0.816 104.3 63.7 -55.4 -34.2 19.3 111.4 8.3 90 91 A K G 3 S+ 0 0 130 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.635 96.8 58.7 -64.8 -14.3 19.6 115.1 9.3 91 92 A D G X> S+ 0 0 19 -3,-2.1 3,-1.3 1,-0.2 4,-1.0 0.315 70.1 113.6 -97.6 10.4 23.4 114.7 9.6 92 93 A I H <> + 0 0 0 -3,-1.6 4,-2.0 1,-0.3 3,-0.5 0.825 68.7 58.4 -55.6 -39.1 23.9 113.5 6.0 93 94 A D H 3> S+ 0 0 40 -3,-0.3 4,-2.8 23,-0.3 -1,-0.3 0.822 101.2 58.2 -60.2 -33.5 25.9 116.6 4.9 94 95 A K H <> S+ 0 0 72 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.865 105.8 47.1 -66.7 -37.9 28.5 115.8 7.5 95 96 A A H <>S+ 0 0 0 -4,-1.0 5,-2.4 -3,-0.5 -2,-0.2 0.933 115.0 46.7 -66.4 -46.2 29.2 112.3 6.2 96 97 A I H ><5S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.927 110.3 53.0 -56.9 -49.5 29.5 113.7 2.6 97 98 A Q H 3<5S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 114.7 41.5 -56.9 -38.3 31.7 116.6 3.8 98 99 A H T 3<5S- 0 0 45 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.238 110.7-118.6 -99.8 12.1 34.1 114.2 5.5 99 100 A R T < 5 + 0 0 151 -3,-1.5 -18,-0.5 1,-0.2 2,-0.5 0.908 58.6 155.1 54.3 50.4 34.1 111.5 2.7 100 101 A V < - 0 0 2 -5,-2.4 26,-0.3 -20,-0.1 -1,-0.2 -0.921 39.5-132.0-110.2 130.1 32.7 108.9 5.0 101 102 A A B -n 82 0C 6 -20,-3.1 -18,-2.4 -2,-0.5 2,-0.3 -0.558 24.6-148.0 -80.1 150.7 30.7 106.0 3.5 102 103 A L E -h 127 0B 2 24,-2.3 26,-3.1 -20,-0.2 2,-0.4 -0.843 10.9-118.9-123.4 156.7 27.4 105.1 5.1 103 104 A T E -h 128 0B 0 -18,-0.7 -16,-0.4 -20,-0.5 26,-0.2 -0.755 18.9-148.6 -91.2 132.1 25.3 102.0 5.7 104 105 A V E +h 129 0B 0 24,-2.4 26,-2.6 -2,-0.4 36,-0.3 -0.921 21.1 172.2 -98.1 115.6 21.8 101.9 4.1 105 106 A P - 0 0 0 0, 0.0 34,-0.3 0, 0.0 2,-0.3 0.610 62.8 -1.3 -97.3 -10.3 19.5 99.8 6.4 106 107 A S > - 0 0 18 1,-0.1 4,-1.7 34,-0.1 5,-0.1 -0.985 65.2-108.3-169.7 158.4 16.2 100.5 4.6 107 108 A K H > S+ 0 0 77 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.899 117.3 56.0 -62.5 -44.5 14.4 102.3 1.8 108 109 A Q H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 106.8 49.4 -55.9 -46.8 12.8 104.7 4.3 109 110 A W H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 109.4 52.4 -59.2 -43.7 16.2 105.7 5.6 110 111 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.895 109.1 47.8 -64.2 -41.3 17.6 106.3 2.1 111 112 A K H X S+ 0 0 117 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.916 112.7 49.8 -66.3 -40.0 14.7 108.6 1.1 112 113 A E H X S+ 0 0 91 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.877 111.6 49.4 -62.5 -37.6 15.1 110.6 4.4 113 114 A A H >< S+ 0 0 0 -4,-2.4 3,-0.5 2,-0.2 4,-0.4 0.918 109.0 50.6 -69.2 -45.2 18.8 110.9 3.8 114 115 A I H >< S+ 0 0 22 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.915 106.4 56.6 -58.9 -44.5 18.4 112.1 0.2 115 116 A K H 3< S+ 0 0 156 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.9 51.9 -55.1 -33.3 15.9 114.8 1.4 116 117 A N T << S+ 0 0 58 -4,-1.0 2,-0.3 -3,-0.5 -23,-0.3 0.441 79.2 114.1 -89.1 -1.8 18.5 116.2 3.8 117 118 A I < - 0 0 31 -3,-1.5 2,-0.2 -4,-0.4 -27,-0.0 -0.579 65.4-129.2 -72.8 128.1 21.3 116.6 1.3 118 119 A S > - 0 0 42 -2,-0.3 3,-0.5 1,-0.1 -2,-0.1 -0.495 9.8-128.8 -73.6 143.8 22.2 120.4 0.8 119 120 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.694 109.4 55.6 -58.1 -16.9 22.4 121.8 -2.7 120 121 A E T 3 S+ 0 0 161 1,-0.0 2,-0.7 2,-0.0 -1,-0.2 0.689 88.4 74.5-100.8 -24.2 25.9 123.2 -1.6 121 122 A Q < + 0 0 41 -3,-0.5 -24,-0.0 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226,-1.9 -2,-0.4 2,-0.5 -0.904 16.5-163.2 -95.3 127.8 20.7 113.7 29.6 371 13 B V E -St 595 703F 0 331,-2.5 333,-2.7 -2,-0.5 2,-1.2 -0.969 8.9-148.1-118.3 114.4 22.5 115.1 32.6 372 14 B D E > + t 0 704F 48 222,-2.7 4,-1.9 -2,-0.5 333,-0.1 -0.709 17.1 179.5 -87.6 97.5 20.3 117.4 34.7 373 15 B L H > S+ 0 0 1 331,-1.9 4,-2.7 -2,-1.2 5,-0.2 0.799 82.5 58.9 -66.7 -31.0 22.6 120.1 36.2 374 16 B N H > S+ 0 0 62 330,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.896 106.0 49.3 -63.2 -41.4 19.6 121.7 38.0 375 17 B A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 217,-0.3 0.916 110.7 49.7 -59.4 -44.9 19.1 118.4 39.7 376 18 B V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.947 113.0 46.1 -62.8 -47.6 22.8 118.2 40.7 377 19 B A H X S+ 0 0 11 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.911 112.3 52.1 -57.7 -41.3 22.8 121.8 42.1 378 20 B S H X S+ 0 0 35 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.917 110.6 46.7 -66.7 -40.7 19.5 121.0 43.9 379 21 B N H X S+ 0 0 0 -4,-2.7 4,-1.4 195,-0.3 -1,-0.2 0.884 110.8 52.3 -67.0 -40.1 21.1 117.9 45.6 380 22 B F H X S+ 0 0 14 -4,-2.5 4,-2.1 194,-0.3 3,-0.3 0.912 107.2 53.7 -56.7 -43.2 24.2 119.8 46.5 381 23 B K H X S+ 0 0 138 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.835 100.2 61.5 -65.4 -32.2 21.9 122.4 48.1 382 24 B V H X S+ 0 0 26 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.939 108.0 43.9 -53.3 -46.7 20.3 119.6 50.1 383 25 B F H X S+ 0 0 0 -4,-1.4 4,-1.3 -3,-0.3 -2,-0.2 0.918 115.3 45.3 -71.5 -39.3 23.6 119.0 51.7 384 26 B S H < S+ 0 0 39 -4,-2.1 -1,-0.2 2,-0.2 6,-0.2 0.821 113.1 52.3 -74.4 -28.4 24.6 122.7 52.3 385 27 B T H < S+ 0 0 84 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.918 111.5 46.2 -68.8 -46.0 21.0 123.3 53.7 386 28 B L H < S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.708 127.2 28.2 -70.1 -21.4 21.3 120.4 56.1 387 29 B H S >< S+ 0 0 9 -4,-1.3 3,-2.1 -5,-0.1 -1,-0.3 -0.534 70.5 166.8-136.6 68.7 24.8 121.5 57.3 388 30 B P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.659 76.5 49.7 -68.5 -13.2 24.9 125.2 56.8 389 31 B N T 3 S+ 0 0 153 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.292 96.7 85.8-105.2 10.1 28.1 125.6 58.8 390 32 B K S < S- 0 0 21 -3,-2.1 2,-0.4 -6,-0.2 177,-0.3 -0.845 80.5-115.8-107.3 146.5 30.2 122.9 57.1 391 33 B T E -y 567 0G 41 175,-2.2 177,-2.4 -2,-0.3 2,-0.9 -0.662 28.9-140.1 -68.4 126.3 32.3 123.0 53.9 392 34 B V E -y 568 0G 10 -2,-0.4 2,-1.2 175,-0.2 27,-0.5 -0.833 12.3-160.5 -92.5 102.8 30.6 120.6 51.4 393 35 B M E -d 419 0H 0 175,-3.2 2,-0.4 -2,-0.9 27,-0.2 -0.740 15.7-143.8 -86.9 99.2 33.5 118.9 49.7 394 36 B A E -d 420 0H 0 25,-2.1 27,-2.2 -2,-1.2 2,-0.8 -0.532 5.0-138.8 -70.9 122.1 31.8 117.7 46.5 395 37 B V E +d 421 0H 6 175,-2.4 27,-0.2 -2,-0.4 179,-0.1 -0.756 35.7 159.7 -86.2 107.9 33.1 114.3 45.4 396 38 B V > + 0 0 1 25,-2.3 4,-2.2 -2,-0.8 3,-0.2 0.022 24.6 139.1-117.4 20.2 33.5 114.4 41.6 397 39 B K H > + 0 0 38 24,-0.5 4,-2.1 2,-0.2 25,-0.1 -0.125 57.8 35.6 -57.3 160.7 35.9 111.5 41.3 398 40 B A H > S- 0 0 10 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.916 143.5 -54.0 55.2 46.9 35.6 109.1 38.4 399 41 B N H 4>S- 0 0 22 -3,-0.2 5,-3.0 1,-0.2 3,-0.4 0.909 106.9 -52.4 56.6 45.3 34.4 111.8 36.0 400 42 B A H ><5S- 0 0 0 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.950 104.3 -55.8 49.8 54.7 31.7 112.8 38.5 401 43 B Y H 3<5S- 0 0 12 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.806 111.7 -44.5 52.5 34.4 30.4 109.2 38.7 402 44 B G T 3<5S+ 0 0 5 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.192 122.3 99.0 101.9 -14.4 29.9 109.2 35.0 403 45 B L T < 5S- 0 0 0 -3,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.697 99.8 -86.4 -80.5 -22.0 28.3 112.6 34.5 404 46 B G >< - 0 0 8 -5,-3.0 4,-2.3 -6,-0.2 5,-0.2 0.525 31.3-146.5 114.1 97.2 31.3 114.6 33.4 405 47 B S H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.864 94.2 54.7 -64.7 -39.1 33.5 116.0 36.2 406 48 B V H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 115.4 37.5 -59.8 -48.3 34.5 119.2 34.4 407 49 B K H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.876 119.9 48.0 -75.6 -35.5 30.9 120.4 33.6 408 50 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.925 113.3 46.9 -66.0 -47.5 29.6 119.2 36.9 409 51 B A H X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.890 112.9 50.4 -63.4 -38.8 32.4 120.8 38.9 410 52 B R H X S+ 0 0 83 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.901 112.3 46.8 -65.2 -40.8 31.9 124.1 36.9 411 53 B H H < S+ 0 0 9 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.873 110.4 52.2 -67.9 -39.9 28.2 124.1 37.6 412 54 B L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-1.1 0.882 106.1 53.8 -67.9 -35.8 28.7 123.4 41.2 413 55 B M H ><5S+ 0 0 58 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.864 104.5 55.3 -60.7 -37.1 31.1 126.3 41.5 414 56 B E T 3<5S+ 0 0 127 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.545 108.1 51.7 -71.2 -7.3 28.4 128.5 40.0 415 57 B N T < 5S- 0 0 78 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 -0.036 133.2 -87.2-119.1 30.3 26.2 127.2 42.9 416 58 B G T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 1,-0.2 2,-0.1 0.386 73.5 151.1 90.7 -1.2 28.7 128.1 45.6 417 59 B A < + 0 0 3 -5,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.420 11.8 169.1 -67.3 135.0 30.9 124.9 45.7 418 60 B T + 0 0 88 -26,-0.4 21,-2.0 1,-0.3 2,-0.3 0.407 58.5 47.8-127.9 1.6 34.5 125.8 46.9 419 61 B F E -de 393 439H 0 -27,-0.5 -25,-2.1 19,-0.2 2,-0.3 -0.972 58.8-175.6-149.4 125.7 36.1 122.4 47.6 420 62 B F E -de 394 440H 0 19,-3.0 21,-2.4 -2,-0.3 2,-0.4 -0.883 10.9-152.6-118.5 153.3 36.2 119.3 45.4 421 63 B A E +de 395 441H 0 -27,-2.2 -25,-2.3 -2,-0.3 -24,-0.5 -0.984 16.4 177.6-122.2 139.5 37.6 115.8 46.0 422 64 B V E - e 0 442H 0 19,-2.8 21,-2.9 -2,-0.4 22,-0.3 -0.767 33.7-124.9-130.2 174.3 38.8 113.5 43.2 423 65 B A S S+ 0 0 7 -2,-0.2 21,-0.9 19,-0.2 2,-0.3 0.756 87.0 25.5 -93.3 -29.3 40.4 110.0 43.2 424 66 B T S > S- 0 0 7 19,-0.1 4,-1.4 1,-0.1 -1,-0.1 -0.912 73.5-116.4-138.0 160.1 43.6 110.8 41.2 425 67 B L H > S+ 0 0 1 -420,-0.5 4,-2.9 -2,-0.3 5,-0.2 0.848 114.8 59.6 -65.3 -35.6 45.9 113.6 40.4 426 68 B D H > S+ 0 0 7 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.924 104.0 51.3 -54.8 -44.5 45.0 113.4 36.7 427 69 B E H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.873 111.1 48.3 -61.2 -37.2 41.4 114.1 37.7 428 70 B A H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.930 113.0 46.4 -67.8 -47.0 42.6 117.2 39.7 429 71 B I H X S+ 0 0 8 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.929 107.0 57.7 -62.7 -45.8 44.7 118.5 36.8 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