==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AMINOTRANSFERASE 06-AUG-98 2AY2 . COMPND 2 MOLECULE: AROMATIC AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR A.OKAMOTO,K.HIROTSU,H.KAGAMIYAMA . 782 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 575 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 57 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 2 0 0 1 1 3 5 4 2 2 2 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 3 1 2 4 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 . 2 1 2 0 0 3 1 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 . 4 1 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 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 5 A M > 0 0 53 0, 0.0 3,-2.2 0, 0.0 592,-0.0 0.000 360.0 360.0 360.0 -44.6 114.7 20.4 22.0 2 6 A L G > + 0 0 0 1,-0.3 3,-1.3 2,-0.1 647,-0.0 0.681 360.0 74.1 -61.2 -16.9 113.5 19.8 18.4 3 7 A G G 3 S+ 0 0 40 1,-0.3 -1,-0.3 654,-0.0 646,-0.0 0.671 83.4 68.1 -70.1 -15.4 114.9 16.2 18.6 4 8 A N G < S+ 0 0 125 -3,-2.2 -1,-0.3 2,-0.1 2,-0.2 0.180 76.0 121.4 -87.3 14.6 111.9 15.4 20.8 5 9 A L < - 0 0 11 -3,-1.3 499,-0.1 649,-0.1 653,-0.1 -0.583 65.1-125.8 -79.7 139.7 109.7 15.9 17.7 6 10 A K - 0 0 113 -2,-0.2 2,-0.1 497,-0.1 -2,-0.1 -0.681 34.5 -98.4 -86.8 140.3 107.6 12.8 16.7 7 11 A P - 0 0 111 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.402 37.3-148.6 -60.8 126.6 108.0 11.7 13.0 8 12 A Q - 0 0 39 649,-0.3 655,-0.1 -2,-0.1 656,-0.1 -0.862 19.3-115.1-100.1 132.5 105.2 13.1 10.9 9 13 A A - 0 0 63 -2,-0.5 -1,-0.0 1,-0.1 0, 0.0 -0.322 29.2-110.3 -68.8 143.1 104.1 11.1 7.9 10 14 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 650,-0.0 -0.153 34.5-100.6 -64.3 167.8 104.5 12.3 4.3 11 15 A D - 0 0 49 1,-0.2 2,-2.0 4,-0.0 -2,-0.1 0.497 41.7-141.0 -70.3 -4.7 101.5 13.3 2.2 12 16 A K S > S+ 0 0 146 1,-0.2 4,-2.1 4,-0.0 3,-0.2 -0.127 84.8 92.3 72.1 -41.8 101.7 9.9 0.4 13 17 A I H > S+ 0 0 114 -2,-2.0 4,-2.3 1,-0.3 5,-0.2 0.895 85.5 51.6 -47.5 -46.4 100.8 11.6 -2.9 14 18 A L H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.926 108.8 49.9 -57.3 -46.6 104.5 12.0 -3.5 15 19 A A H > S+ 0 0 54 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.813 107.8 55.1 -62.8 -30.7 105.0 8.3 -2.8 16 20 A L H X S+ 0 0 40 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.939 113.0 40.6 -67.7 -46.4 102.2 7.5 -5.2 17 21 A M H X S+ 0 0 67 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.784 106.2 68.5 -72.4 -26.6 104.0 9.4 -8.0 18 22 A G H X S+ 0 0 25 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.936 103.9 40.0 -57.9 -50.1 107.3 8.0 -6.9 19 23 A E H X S+ 0 0 95 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.904 114.1 55.5 -66.3 -41.7 106.4 4.5 -8.0 20 24 A F H >< S+ 0 0 29 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.937 107.6 47.4 -56.2 -52.2 104.7 5.8 -11.2 21 25 A R H 3< S+ 0 0 158 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 107.8 56.7 -59.8 -35.7 107.8 7.7 -12.3 22 26 A A H 3< S+ 0 0 80 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.612 82.0 109.7 -72.7 -11.8 110.0 4.6 -11.7 23 27 A D << - 0 0 16 -3,-1.4 5,-0.1 -4,-0.7 -3,-0.0 -0.536 56.5-159.5 -71.2 118.9 107.8 2.6 -14.0 24 28 A P + 0 0 104 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.317 55.6 117.1 -80.2 8.6 109.7 1.7 -17.2 25 29 A R > - 0 0 79 1,-0.1 3,-1.5 2,-0.0 -2,-0.1 -0.715 55.4-155.9 -85.8 120.9 106.4 1.0 -19.1 26 30 A Q T 3 S+ 0 0 183 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.0 0.753 93.3 53.2 -63.3 -28.0 105.8 3.4 -22.0 27 31 A G T 3 S+ 0 0 58 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.096 76.3 140.6 -98.1 22.7 102.1 2.8 -21.8 28 32 A K < - 0 0 61 -3,-1.5 2,-0.4 -5,-0.1 336,-0.2 -0.412 35.8-156.0 -66.9 139.8 101.7 3.6 -18.1 29 33 A I E -a 364 0A 18 334,-2.4 336,-3.1 -2,-0.1 2,-0.6 -0.949 5.8-150.2-121.3 138.5 98.5 5.6 -17.2 30 34 A D E +a 365 0A 30 -2,-0.4 336,-0.2 334,-0.2 3,-0.2 -0.903 30.2 153.8-114.4 108.5 98.0 7.8 -14.2 31 35 A L + 0 0 0 334,-3.1 342,-1.0 -2,-0.6 336,-0.3 0.235 61.1 83.2-110.9 8.4 94.4 8.1 -12.9 32 36 A G + 0 0 7 333,-0.2 -1,-0.1 334,-0.2 334,-0.1 0.567 60.2 119.3 -88.6 -11.9 95.4 9.0 -9.3 33 37 A V - 0 0 33 -3,-0.2 343,-0.1 1,-0.1 334,-0.1 -0.194 53.0-153.0 -54.2 147.2 95.9 12.7 -10.0 34 38 A G + 0 0 28 2,-0.1 2,-0.3 339,-0.0 -1,-0.1 0.177 68.1 66.7-110.4 16.0 93.7 15.0 -7.9 35 39 A V S S- 0 0 17 309,-0.1 2,-0.4 338,-0.0 340,-0.1 -0.824 91.5 -86.0-129.3 168.8 93.6 18.0 -10.2 36 40 A Y - 0 0 47 -2,-0.3 2,-0.4 8,-0.1 -2,-0.1 -0.626 39.8-173.7 -80.5 133.5 92.1 18.6 -13.7 37 41 A K - 0 0 56 -2,-0.4 6,-0.2 6,-0.1 2,-0.1 -0.939 14.0-140.2-122.9 143.5 94.2 17.7 -16.7 38 42 A D > - 0 0 45 4,-2.6 3,-2.4 -2,-0.4 5,-0.0 -0.189 43.6 -71.7 -91.8-167.0 93.2 18.6 -20.2 39 43 A A T 3 S+ 0 0 93 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.846 135.8 46.3 -52.6 -39.4 93.5 16.6 -23.5 40 44 A T T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.135 123.1-103.6 -91.6 15.8 97.2 17.2 -23.5 41 45 A G S < S+ 0 0 36 -3,-2.4 2,-0.3 1,-0.2 -2,-0.1 0.840 80.1 127.9 66.1 36.4 97.6 16.3 -19.9 42 46 A H - 0 0 116 410,-0.0 -4,-2.6 0, 0.0 -1,-0.2 -0.897 59.8-137.9-124.1 154.0 98.0 19.8 -18.6 43 47 A T - 0 0 7 -2,-0.3 410,-0.6 -6,-0.2 411,-0.3 -0.838 38.5-161.4-108.5 87.4 96.3 21.9 -16.0 44 48 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 409,-0.2 -0.147 21.4-110.8 -69.2 163.6 95.9 25.2 -17.8 45 49 A I - 0 0 25 406,-0.4 201,-0.1 407,-0.1 202,-0.1 -0.831 44.3-109.8 -91.9 130.0 95.2 28.7 -16.5 46 50 A M > - 0 0 15 -2,-0.5 4,-2.5 199,-0.5 5,-0.2 -0.345 20.0-122.6 -63.2 143.6 91.7 29.7 -17.4 47 51 A R H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.890 113.3 49.1 -52.1 -46.7 91.5 32.5 -20.0 48 52 A A H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 110.1 52.6 -63.4 -36.7 89.4 34.8 -17.7 49 53 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.924 109.6 47.2 -65.9 -44.2 92.0 34.2 -15.0 50 54 A H H X S+ 0 0 60 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.823 112.5 51.9 -65.5 -30.9 94.9 35.2 -17.2 51 55 A A H X S+ 0 0 29 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.861 107.7 50.7 -72.4 -38.8 92.8 38.2 -18.3 52 56 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.912 107.2 53.8 -65.7 -42.8 92.2 39.3 -14.7 53 57 A E H X S+ 0 0 21 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.803 108.1 50.5 -62.3 -31.1 95.9 39.0 -13.8 54 58 A Q H X S+ 0 0 86 -4,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.917 111.9 46.7 -72.3 -42.0 96.7 41.4 -16.7 55 59 A R H X S+ 0 0 104 -4,-1.9 4,-1.5 1,-0.2 3,-0.3 0.893 112.4 50.6 -65.5 -39.8 94.1 43.9 -15.5 56 60 A M H X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.874 105.3 56.2 -65.2 -38.9 95.4 43.6 -11.9 57 61 A L H < S+ 0 0 34 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 113.4 42.6 -64.1 -26.9 99.0 44.2 -13.1 58 62 A E H < S+ 0 0 161 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.690 121.3 35.2 -92.1 -25.0 97.8 47.5 -14.7 59 63 A T H < S+ 0 0 95 -4,-1.5 2,-0.5 -5,-0.1 -2,-0.2 0.625 85.7 98.3-107.5 -17.7 95.5 48.9 -12.0 60 64 A E < + 0 0 46 -4,-2.1 3,-0.1 -5,-0.2 375,-0.1 -0.638 38.9 174.5 -76.5 125.1 97.0 48.0 -8.6 61 66 A T + 0 0 117 -2,-0.5 374,-0.3 1,-0.2 2,-0.3 0.520 64.2 19.1-105.6 -10.5 98.9 50.9 -7.3 62 67 A T - 0 0 31 372,-0.1 -1,-0.2 2,-0.1 373,-0.1 -0.970 47.2-154.4-154.7 162.7 99.8 49.5 -3.9 63 68 A K + 0 0 8 370,-0.4 576,-2.4 -2,-0.3 577,-0.2 -0.075 46.5 147.0-129.1 27.4 100.0 46.2 -1.9 64 69 A T - 0 0 29 369,-0.3 575,-0.1 574,-0.2 -2,-0.1 -0.081 65.8 -67.5 -59.4 167.7 99.4 47.7 1.5 65 70 A Y - 0 0 46 573,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.315 63.0-174.5 -58.1 137.0 97.6 45.6 4.1 66 71 A A - 0 0 24 1,-0.2 2,-0.2 217,-0.2 -1,-0.1 -0.078 40.9 -16.4-111.1-144.2 94.0 45.2 3.0 67 72 A G > - 0 0 23 1,-0.1 3,-0.6 -2,-0.1 -1,-0.2 -0.438 44.3-147.6 -70.8 133.6 91.0 43.6 4.7 68 73 A L T 3 S+ 0 0 31 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.797 105.4 33.5 -65.6 -31.8 91.4 41.3 7.7 69 74 A S T 3 S- 0 0 18 1,-0.5 27,-2.4 26,-0.1 -1,-0.2 0.310 130.3 -89.0-105.6 7.0 88.4 39.2 6.6 70 75 A G < - 0 0 10 -3,-0.6 -1,-0.5 25,-0.2 -2,-0.1 -0.449 58.9 -50.8 107.7 172.8 89.0 39.7 2.9 71 76 A E >> - 0 0 54 -2,-0.2 4,-2.4 -4,-0.1 3,-0.6 -0.675 43.0-126.6 -87.2 141.1 87.8 42.4 0.5 72 77 A P H 3> S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.851 110.0 57.8 -51.1 -41.3 84.1 43.4 0.3 73 78 A E H 3> S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 111.9 41.6 -57.7 -44.5 84.1 42.7 -3.5 74 79 A F H <> S+ 0 0 1 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.937 112.9 51.3 -69.4 -50.2 85.2 39.1 -2.9 75 80 A Q H X S+ 0 0 35 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.888 117.3 40.5 -55.5 -43.0 83.0 38.4 0.1 76 81 A K H X S+ 0 0 123 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.921 114.2 50.3 -73.1 -47.9 79.9 39.6 -1.8 77 82 A A H X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.904 114.9 45.7 -57.6 -41.8 80.8 38.1 -5.2 78 83 A M H X S+ 0 0 4 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.931 109.5 53.7 -67.3 -46.2 81.4 34.7 -3.5 79 84 A G H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.876 112.3 45.5 -56.1 -39.0 78.3 34.9 -1.4 80 85 A E H X S+ 0 0 78 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.849 108.8 55.2 -73.2 -36.3 76.2 35.5 -4.6 81 86 A L H < S+ 0 0 7 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.906 118.9 33.9 -64.4 -39.3 78.0 32.7 -6.5 82 87 A I H < S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.934 134.1 22.2 -82.6 -51.3 77.1 30.2 -3.8 83 88 A L H >< S- 0 0 8 -4,-2.5 3,-1.8 -5,-0.3 -3,-0.2 0.442 84.8-168.6 -99.8 -1.4 73.7 31.3 -2.5 84 89 A G G >< - 0 0 18 -4,-1.7 3,-1.4 -5,-0.3 -1,-0.2 -0.137 69.9 -8.4 51.2-137.2 72.5 33.4 -5.5 85 90 A D G 3 S+ 0 0 179 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.678 126.8 74.2 -63.8 -19.0 69.4 35.5 -4.8 86 91 A G G < + 0 0 36 -3,-1.8 2,-0.6 -6,-0.1 -1,-0.3 0.329 63.6 129.3 -79.9 9.5 69.0 33.8 -1.5 87 95 A L < - 0 0 35 -3,-1.4 2,-1.2 1,-0.1 3,-0.1 -0.537 43.1-162.4 -71.6 110.3 71.9 35.7 0.1 88 96 A K > - 0 0 128 -2,-0.6 3,-1.8 1,-0.2 4,-0.5 -0.709 7.1-175.3 -93.7 86.3 70.7 37.3 3.4 89 97 A S G > S+ 0 0 87 -2,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.839 77.8 61.4 -49.3 -42.2 73.5 39.9 3.9 90 98 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -3,-0.1 175,-0.2 0.738 116.9 30.2 -59.3 -26.9 72.1 41.0 7.3 91 99 A T G < S+ 0 0 22 -3,-1.8 168,-3.1 174,-0.1 2,-0.5 0.216 99.1 98.1-120.1 15.8 72.7 37.5 8.7 92 100 A T E < -B 258 0B 7 -3,-1.2 2,-0.4 -4,-0.5 166,-0.2 -0.914 49.8-165.5-113.0 119.6 75.7 36.3 6.7 93 101 A A E -B 257 0B 0 164,-2.9 164,-2.8 -2,-0.5 2,-0.4 -0.799 13.0-166.7 -96.9 142.1 79.2 36.4 8.1 94 102 A T E -B 256 0B 16 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.986 10.9-174.9-134.9 144.3 82.0 35.9 5.5 95 103 A L E -B 255 0B 0 160,-1.8 160,-2.7 -2,-0.4 2,-0.3 -0.983 22.7-134.8-141.4 125.2 85.7 35.3 5.8 96 104 A A E -B 254 0B 5 -27,-2.4 158,-0.3 -2,-0.4 2,-0.3 -0.644 37.4-173.0 -76.2 133.9 88.4 35.1 3.1 97 105 A T E -B 253 0B 4 156,-2.3 156,-1.8 -2,-0.3 2,-1.5 -0.784 37.8 -94.6-127.1 171.5 90.5 32.0 3.8 98 106 A V E > S-B 252 0B 0 -2,-0.3 4,-1.5 154,-0.2 154,-0.3 -0.707 92.3 -51.1 -85.8 87.4 93.7 30.3 2.6 99 107 A G H > S- 0 0 0 -2,-1.5 4,-1.5 152,-0.6 154,-0.3 0.055 81.6 -64.0 68.9 175.4 91.9 27.9 0.2 100 108 A G H > S+ 0 0 8 152,-0.3 4,-2.3 2,-0.2 5,-0.2 0.903 135.0 59.5 -63.8 -39.2 89.0 25.7 1.0 101 109 A T H > S+ 0 0 10 1,-0.3 4,-2.6 569,-0.2 -1,-0.2 0.906 104.8 49.4 -56.3 -43.2 91.1 23.7 3.5 102 110 A G H X S+ 0 0 1 -4,-1.5 4,-2.7 568,-0.4 -1,-0.3 0.892 108.4 54.3 -63.0 -36.5 91.7 27.0 5.4 103 111 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.900 109.9 46.6 -63.5 -40.4 87.9 27.5 5.3 104 112 A L H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.925 112.3 49.2 -66.9 -47.4 87.4 24.1 6.9 105 113 A R H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.938 114.0 46.0 -57.9 -48.3 90.0 24.5 9.6 106 114 A Q H X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.897 110.5 53.1 -63.3 -40.5 88.6 27.9 10.5 107 115 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.881 110.1 48.4 -61.9 -39.7 85.0 26.6 10.5 108 116 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.865 112.7 48.1 -67.6 -39.0 86.0 23.8 12.9 109 117 A E H X S+ 0 0 28 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.904 112.0 49.8 -67.8 -42.0 87.8 26.4 15.2 110 118 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.938 112.2 46.5 -62.1 -49.4 84.7 28.6 15.1 111 119 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.907 110.6 52.9 -60.6 -43.5 82.3 25.8 16.0 112 120 A R H < S+ 0 0 86 -4,-2.0 -1,-0.2 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0.709 90.1 95.0 -88.6 -24.6 106.3 32.7 -17.9 450 64 B E < + 0 0 44 -4,-2.5 -405,-0.1 -5,-0.2 3,-0.1 -0.594 38.4 169.6 -75.6 124.5 103.8 30.9 -15.7 451 66 B T + 0 0 118 -2,-0.4 -406,-0.4 1,-0.1 2,-0.3 0.460 62.2 30.1-109.6 -7.5 101.8 28.2 -17.7 452 67 B T - 0 0 34 -408,-0.1 -1,-0.1 2,-0.1 -407,-0.1 -0.987 46.0-161.0-150.5 158.9 100.0 26.5 -14.8 453 68 B K + 0 0 7 -410,-0.6 -204,-2.9 -2,-0.3 -203,-0.3 0.109 45.8 138.8-127.0 20.3 98.6 27.1 -11.3 454 69 B T - 0 0 26 -411,-0.3 -2,-0.1 -206,-0.2 -205,-0.1 -0.093 67.4 -65.9 -61.0 166.9 98.4 23.5 -10.0 455 70 B Y - 0 0 68 1,-0.1 -1,-0.2 -207,-0.1 3,-0.1 -0.186 60.6-178.7 -55.3 141.8 99.3 22.6 -6.5 456 71 B A - 0 0 32 1,-0.2 2,-0.3 217,-0.1 -1,-0.1 -0.020 41.6 -15.8-118.1-140.8 103.0 23.1 -5.7 457 72 B G > - 0 0 25 1,-0.1 3,-0.6 -2,-0.1 -1,-0.2 -0.550 44.1-149.8 -75.8 133.3 105.3 22.5 -2.7 458 73 B L T 3 S+ 0 0 21 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.809 103.4 39.1 -67.7 -33.2 103.7 22.0 0.7 459 74 B S T 3 S- 0 0 21 1,-0.5 27,-2.1 26,-0.1 -1,-0.2 0.340 130.0 -92.2 -98.0 6.3 106.6 23.6 2.5 460 75 B G < - 0 0 8 -3,-0.6 -1,-0.5 25,-0.2 -2,-0.1 -0.550 60.1 -46.6 108.4-179.2 107.0 26.2 -0.2 461 76 B E >> - 0 0 37 -2,-0.2 4,-2.6 1,-0.1 3,-0.7 -0.736 45.0-126.6 -92.6 140.8 109.1 26.2 -3.4 462 77 B P H 3> S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.855 110.4 53.4 -50.4 -42.2 112.8 25.2 -3.3 463 78 B E H 3> S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.879 110.8 45.8 -62.7 -41.4 113.9 28.4 -5.0 464 79 B F H <> S+ 0 0 1 -3,-0.7 4,-2.7 2,-0.2 5,-0.3 0.936 112.6 50.5 -66.9 -46.8 112.0 30.5 -2.4 465 80 B Q H X S+ 0 0 41 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.916 114.9 43.7 -57.4 -45.5 113.4 28.5 0.5 466 81 B K H X S+ 0 0 113 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.964 113.4 48.9 -66.6 -52.4 117.0 28.8 -0.8 467 82 B A H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.895 114.6 46.5 -55.2 -42.8 116.8 32.5 -1.6 468 83 B M H X S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.900 109.9 52.6 -68.0 -41.8 115.3 33.3 1.8 469 84 B G H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.920 112.9 45.1 -60.3 -42.5 117.8 31.2 3.6 470 85 B E H X S+ 0 0 106 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.880 110.1 53.8 -69.0 -39.9 120.7 33.0 1.9 471 86 B L H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.894 118.5 35.4 -61.7 -42.4 119.2 36.5 2.4 472 87 B I H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.960 133.7 21.7 -77.4 -55.0 118.9 35.9 6.2 473 88 B L H >< S- 0 0 2 -4,-2.6 3,-2.5 -5,-0.3 -3,-0.2 0.475 82.6-166.1 -96.5 -3.4 122.0 33.8 7.0 474 89 B G G >< S- 0 0 16 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 -0.281 75.0 -12.1 55.2-130.1 124.2 34.6 4.1 475 90 B D G 3 S+ 0 0 174 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.528 124.7 80.8 -79.5 -4.6 127.1 32.1 4.0 476 91 B G G < + 0 0 50 -3,-2.5 2,-0.8 -6,-0.1 -1,-0.3 0.161 65.5 119.8 -85.4 19.8 126.2 30.9 7.4 477 95 B L < - 0 0 36 -3,-0.7 2,-0.9 -7,-0.1 3,-0.1 -0.793 43.6-172.5 -92.0 109.7 123.5 28.8 5.7 478 96 B K > - 0 0 115 -2,-0.8 3,-2.3 1,-0.2 4,-0.5 -0.788 2.7-170.2-102.4 87.4 124.1 25.1 6.4 479 97 B S G > S+ 0 0 80 -2,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.843 79.9 60.9 -43.3 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154,-0.3 0.074 81.9 -65.4 72.0 171.7 103.3 36.2 6.1 490 108 B G H > S+ 0 0 6 152,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.862 135.6 59.0 -62.5 -34.6 105.7 36.7 9.1 491 109 B T H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 104.2 49.7 -60.5 -44.6 102.7 36.3 11.5 492 110 B G H X S+ 0 0 2 -4,-1.5 4,-2.5 -212,-0.4 -1,-0.2 0.861 109.0 54.7 -62.0 -33.3 102.0 32.9 10.0 493 111 B A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.902 108.0 47.7 -66.1 -42.6 105.7 32.1 10.6 494 112 B L H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.948 113.3 47.5 -63.1 -49.5 105.5 33.1 14.2 495 113 B R H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.921 112.6 48.6 -58.0 -46.5 102.3 31.0 14.8 496 114 B Q H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.861 110.7 53.2 -63.8 -33.0 103.8 28.0 13.0 497 115 B A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.895 108.6 48.2 -67.8 -42.7 107.0 28.5 15.1 498 116 B L H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.880 113.6 47.8 -65.9 -38.3 105.0 28.4 18.4 499 117 B E H X S+ 0 0 16 -4,-2.2 4,-1.6 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52,-2.8 20,-0.1 2,-0.5 -0.897 11.3-138.4-121.6 154.7 107.3 29.1 28.3 510 133 B V E -lm 531 561F 0 20,-2.7 22,-3.1 -2,-0.3 2,-0.5 -0.971 5.3-154.2-123.1 127.7 108.0 32.1 26.1 511 134 B F E -lm 532 562F 4 50,-3.1 52,-2.8 -2,-0.5 2,-0.3 -0.861 18.5-175.4 -97.0 129.8 110.0 35.2 27.2 512 135 B V E -l 533 0F 2 20,-2.6 22,-2.2 -2,-0.5 52,-0.1 -0.918 28.9 -97.7-125.5 153.6 109.1 38.4 25.4 513 136 B S E -l 534 0F 2 50,-0.5 22,-0.2 -2,-0.3 23,-0.1 -0.298 44.7 -96.2 -70.0 150.9 110.7 41.8 25.6 514 137 B D E S+l 535 0F 79 20,-1.6 23,-2.3 1,-0.2 22,-0.9 -0.907 115.4 15.0-108.5 100.8 109.2 44.5 27.7 515 138 B P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.637 90.5 157.0 -94.1-176.3 107.6 45.9 25.6 516 139 B T - 0 0 16 -2,-0.1 -4,-0.0 -4,-0.1 5,-0.0 -0.884 54.5 -54.5-151.7 174.3 107.1 44.0 22.4 517 140 B W >> - 0 0 39 53,-0.6 3,-2.3 -2,-0.3 4,-0.7 -0.448 50.5-135.6 -57.6 117.5 104.7 43.7 19.4 518 141 B P H 3> S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.786 101.0 65.6 -47.9 -33.6 101.3 43.3 21.0 519 142 B N H 3> S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.791 91.1 64.2 -62.8 -28.8 100.5 40.5 18.5 520 143 B H H <> S+ 0 0 2 -3,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.964 109.3 37.2 -58.6 -53.5 103.2 38.3 20.0 521 144 B V H X S+ 0 0 44 -4,-0.7 4,-3.1 -3,-0.2 -2,-0.2 0.901 113.4 58.4 -66.0 -41.9 101.4 38.1 23.3 522 145 B S H X S+ 0 0 31 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.942 109.1 43.6 -54.0 -53.0 97.9 37.9 21.7 523 146 B I H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.931 115.3 49.1 -59.8 -45.9 98.8 34.8 19.7 524 147 B M H X>S+ 0 0 1 -4,-2.0 5,-2.6 -5,-0.3 4,-0.9 0.854 110.9 51.1 -62.6 -34.4 100.5 33.3 22.7 525 148 B N H ><5S+ 0 0 102 -4,-3.1 3,-1.3 3,-0.2 -2,-0.2 0.976 108.8 50.7 -66.1 -52.7 97.4 34.1 24.8 526 149 B F H 3<5S+ 0 0 69 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.897 113.3 45.2 -49.5 -48.9 95.1 32.5 22.2 527 150 B M H 3<5S- 0 0 22 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.651 111.7-124.0 -71.5 -17.1 97.3 29.3 22.3 528 151 B G T <<5 + 0 0 59 -3,-1.3 -3,-0.2 -4,-0.9 -2,-0.1 0.805 53.9 157.0 77.6 29.4 97.4 29.4 26.1 529 152 B L < - 0 0 10 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.724 50.1-105.3 -90.0 137.7 101.2 29.4 26.3 530 154 B P - 0 0 52 0, 0.0 -20,-2.7 0, 0.0 2,-0.5 -0.440 37.4-155.0 -63.8 122.0 102.8 30.9 29.5 531 155 B V E +l 510 0F 46 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.872 15.5 177.6-106.4 132.5 104.3 34.3 28.8 532 156 B Q E -l 511 0F 72 -22,-3.1 -20,-2.6 -2,-0.5 2,-0.3 -0.926 18.2-137.4-127.2 152.1 107.1 35.8 30.8 533 157 B T E -l 512 0F 86 -2,-0.3 2,-0.4 -22,-0.3 -20,-0.2 -0.808 6.8-156.7-114.7 151.8 108.8 39.2 30.1 534 158 B Y E -l 513 0F 2 -22,-2.2 -20,-1.6 -2,-0.3 15,-0.2 -0.969 34.3-104.4-124.2 138.7 112.4 40.3 30.2 535 159 B R E +l 514 0F 106 13,-0.5 18,-0.1 -2,-0.4 3,-0.1 -0.395 57.5 142.8 -60.3 138.8 113.3 43.9 30.7 536 160 B Y + 0 0 10 -22,-0.9 9,-2.8 1,-0.4 2,-0.4 0.426 45.8 65.5-142.5 -58.9 114.4 45.6 27.5 537 161 B F B -Q 544 0G 23 -23,-2.3 2,-1.0 7,-0.2 -1,-0.4 -0.642 64.4-146.4 -83.8 129.5 113.3 49.2 27.0 538 162 B D > - 0 0 48 5,-3.0 4,-2.2 -2,-0.4 5,-0.4 -0.819 9.8-158.8 -95.4 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