==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-FEB-08 3CBF . COMPND 2 MOLECULE: ALPHA-AMINODIPATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.TOMITA,T.MIYAZAKI,T.MIYAGAWA,S.FUSHINOBU,T.KUZUYAMA, . 786 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 7.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 41 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 2 2 0 0 4 2 4 4 1 1 2 2 0 0 0 2 2 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 2 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 . 4 6 0 4 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 . 4 0 2 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 S > 0 0 125 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -81.9 -22.1 -18.4 -22.1 2 6 A W H > + 0 0 14 2,-0.2 4,-2.7 1,-0.2 616,-0.0 0.909 360.0 55.9 -60.5 -43.3 -19.0 -16.1 -21.7 3 7 A S H 4 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.882 111.2 44.3 -57.8 -36.8 -17.3 -18.6 -19.4 4 8 A E H 4 S+ 0 0 175 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.844 114.9 49.7 -71.9 -36.1 -17.7 -21.2 -22.2 5 9 A A H < S+ 0 0 19 -4,-1.8 -2,-0.2 2,-0.0 -1,-0.2 0.799 93.2 94.8 -73.2 -34.1 -16.5 -18.7 -24.8 6 10 A F S < S- 0 0 28 -4,-2.7 494,-0.2 -5,-0.1 2,-0.1 -0.199 72.0-126.1 -59.4 151.3 -13.4 -17.5 -22.8 7 11 A G >> - 0 0 7 492,-2.8 3,-0.8 494,-0.1 4,-0.8 -0.300 38.3 -88.7 -86.2 178.7 -10.0 -19.0 -23.4 8 12 A K H 3> S+ 0 0 123 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.781 124.0 66.3 -60.8 -27.6 -7.7 -20.4 -20.7 9 13 A G H >> S+ 0 0 2 492,-0.3 3,-1.1 489,-0.3 4,-0.9 0.876 91.1 60.3 -61.0 -41.9 -6.3 -16.9 -20.1 10 14 A A H <4 S+ 0 0 2 -3,-0.8 3,-0.4 489,-0.8 -1,-0.2 0.853 102.3 54.0 -55.9 -34.9 -9.6 -15.6 -18.8 11 15 A G H 3< S+ 0 0 62 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.717 108.9 47.4 -72.1 -20.6 -9.5 -18.2 -16.0 12 16 A R H << S+ 0 0 52 -3,-1.1 2,-0.5 -4,-0.6 -1,-0.2 0.507 94.4 95.2 -96.2 -7.3 -6.0 -17.0 -15.0 13 17 A I < + 0 0 11 -4,-0.9 2,-0.3 -3,-0.4 638,-0.1 -0.752 48.5 159.1 -85.7 123.6 -7.2 -13.3 -15.1 14 18 A Q - 0 0 124 -2,-0.5 2,-0.1 636,-0.2 -3,-0.0 -0.968 43.2 -92.4-138.4 155.7 -8.3 -11.9 -11.7 15 19 A A - 0 0 40 -2,-0.3 2,-0.5 1,-0.1 635,-0.1 -0.355 33.5-121.5 -68.1 145.7 -8.6 -8.4 -10.4 16 20 A S > - 0 0 9 1,-0.1 4,-2.5 634,-0.1 5,-0.2 -0.768 11.8-147.3 -81.7 127.8 -5.8 -6.6 -8.6 17 21 A T H > S+ 0 0 49 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.858 100.0 55.1 -68.1 -31.8 -6.9 -5.5 -5.1 18 22 A I H > S+ 0 0 4 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 110.2 45.4 -59.7 -45.7 -4.6 -2.5 -5.3 19 23 A R H 4 S+ 0 0 4 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.917 115.4 47.1 -67.4 -40.9 -6.2 -1.4 -8.6 20 24 A E H >X S+ 0 0 63 -4,-2.5 3,-1.0 1,-0.2 4,-0.6 0.831 105.1 60.4 -67.2 -34.9 -9.7 -2.0 -7.2 21 25 A L H >X S+ 0 0 18 -4,-2.3 4,-3.1 1,-0.2 3,-0.7 0.782 90.0 69.9 -66.1 -28.5 -8.9 -0.1 -3.9 22 26 A L H 3X S+ 0 0 4 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.806 89.4 62.5 -60.1 -31.0 -8.2 3.1 -5.8 23 27 A K H <4 S+ 0 0 79 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.890 114.5 34.9 -59.1 -40.9 -11.9 3.4 -6.6 24 28 A L H X< S+ 0 0 46 -3,-0.7 3,-1.2 -4,-0.6 -2,-0.2 0.910 118.3 49.0 -75.7 -49.5 -12.5 3.6 -2.9 25 29 A T H 3< S+ 0 0 14 -4,-3.1 5,-0.2 1,-0.3 -3,-0.2 0.753 98.8 64.2 -74.5 -22.7 -9.4 5.6 -1.8 26 30 A Q T 3< S+ 0 0 109 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.631 82.6 99.5 -76.3 -8.7 -9.6 8.4 -4.3 27 31 A R S X S- 0 0 166 -3,-1.2 3,-1.5 -4,-0.1 -3,-0.0 -0.557 87.6-101.8 -78.9 136.6 -12.9 9.5 -2.8 28 32 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.298 103.2 36.9 -62.3 138.9 -12.6 12.5 -0.4 29 33 A G T 3 S+ 0 0 57 1,-0.3 2,-0.5 -4,-0.1 -3,-0.1 0.108 86.6 109.3 109.5 -22.4 -12.8 11.5 3.3 30 34 A I < - 0 0 28 -3,-1.5 2,-0.7 -5,-0.2 -1,-0.3 -0.779 61.5-142.0 -94.7 134.5 -10.8 8.3 3.2 31 35 A L E -a 345 0A 31 313,-3.3 315,-2.2 -2,-0.5 2,-0.6 -0.853 26.7-148.6 -89.0 108.8 -7.4 8.2 4.7 32 36 A S E +a 346 0A 10 -2,-0.7 338,-0.5 313,-0.2 337,-0.3 -0.756 44.3 152.7 -99.0 119.6 -5.4 6.0 2.3 33 37 A F E +a 347 0A 1 313,-3.2 333,-1.6 -2,-0.6 315,-0.6 -0.161 65.8 89.6-109.7 26.8 -2.5 3.7 3.3 34 38 A A S S+ 0 0 0 313,-0.3 314,-0.2 1,-0.2 -16,-0.1 0.698 77.2 28.6 -94.5-108.8 -3.5 1.5 0.3 35 39 A G S S- 0 0 4 -17,-0.2 2,-2.8 1,-0.2 -1,-0.2 -0.237 84.7-111.2 -57.0 141.0 -2.0 2.1 -3.2 36 40 A G + 0 0 0 751,-3.3 -1,-0.2 -3,-0.1 286,-0.1 -0.375 53.7 169.2 -69.8 66.4 1.5 3.6 -3.2 37 41 A L - 0 0 15 -2,-2.8 421,-0.1 750,-0.1 197,-0.1 -0.742 35.1-114.6 -89.3 120.0 0.2 6.9 -4.7 38 42 A P - 0 0 4 0, 0.0 331,-0.1 0, 0.0 -1,-0.1 -0.140 39.2 -86.1 -52.5 146.6 2.8 9.7 -4.6 39 43 A A > - 0 0 0 329,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.395 36.7-139.5 -55.0 116.2 2.4 12.8 -2.5 40 44 A P G > S+ 0 0 52 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.727 99.0 61.4 -55.2 -28.9 0.3 15.2 -4.7 41 45 A E G 3 S+ 0 0 98 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 0.620 92.9 66.4 -79.7 -9.2 2.3 18.2 -3.6 42 46 A L G < S+ 0 0 13 -3,-2.1 -1,-0.3 2,-0.1 -3,-0.1 0.601 79.1 103.1 -79.2 -13.5 5.3 16.6 -5.2 43 47 A F S < S- 0 0 10 -3,-1.3 2,-1.7 -4,-0.3 3,-0.2 -0.619 71.8-142.0 -73.7 122.1 3.6 17.0 -8.6 44 48 A P > + 0 0 21 0, 0.0 4,-2.8 0, 0.0 5,-0.2 -0.505 35.2 165.0 -84.0 68.6 5.1 20.0 -10.5 45 49 A K H > + 0 0 78 -2,-1.7 4,-2.3 1,-0.2 5,-0.1 0.868 69.9 44.3 -54.9 -51.3 1.7 21.1 -11.9 46 50 A E H > S+ 0 0 106 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 115.4 46.8 -65.0 -44.9 2.7 24.5 -13.1 47 51 A E H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.889 112.8 51.1 -65.3 -37.4 6.0 23.4 -14.7 48 52 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.918 107.8 52.8 -63.1 -43.3 4.1 20.5 -16.4 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.935 112.2 44.3 -60.2 -48.3 1.5 22.9 -17.8 50 54 A E H X S+ 0 0 86 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.927 116.8 46.4 -60.2 -46.3 4.1 25.2 -19.3 51 55 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.904 112.5 48.6 -67.4 -43.2 6.1 22.2 -20.7 52 56 A A H X S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.924 112.6 48.9 -60.0 -47.0 3.1 20.4 -22.2 53 57 A A H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.908 113.0 46.8 -59.8 -44.1 1.9 23.5 -23.9 54 58 A R H X S+ 0 0 87 -4,-2.2 4,-2.7 1,-0.2 5,-0.5 0.917 110.7 52.3 -68.6 -42.8 5.3 24.3 -25.4 55 59 A I H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 8,-0.3 0.939 113.5 43.8 -55.2 -46.0 5.7 20.7 -26.6 56 60 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 3,-0.2 -2,-0.2 0.921 116.6 46.0 -71.5 -40.6 2.3 20.8 -28.3 57 61 A R H < S+ 0 0 107 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.963 126.6 26.8 -63.0 -52.7 2.8 24.2 -29.8 58 62 A E H < S+ 0 0 143 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.748 139.5 21.2 -85.5 -27.4 6.4 23.7 -31.1 59 63 A K H >X S+ 0 0 85 -4,-2.4 4,-2.7 -5,-0.5 3,-1.7 0.067 77.7 125.4-133.2 21.5 6.4 19.9 -31.7 60 64 A G H 3X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.3 5,-0.1 0.822 70.7 62.9 -53.6 -36.2 2.7 19.0 -32.0 61 65 A E H 34 S+ 0 0 80 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.727 115.2 33.5 -66.0 -21.3 3.3 17.3 -35.3 62 66 A V H X4 S+ 0 0 76 -3,-1.7 3,-1.2 2,-0.1 -2,-0.2 0.823 118.2 50.5 -93.0 -50.5 5.6 14.8 -33.5 63 67 A A H 3< S+ 0 0 0 -4,-2.7 206,-0.9 -8,-0.3 205,-0.4 0.795 116.5 41.4 -59.3 -31.9 3.9 14.6 -30.1 64 68 A L T 3< S+ 0 0 3 -4,-2.4 568,-2.1 -5,-0.2 569,-0.4 0.395 104.7 81.9-100.6 1.0 0.5 13.9 -31.7 65 69 A Q S < S- 0 0 16 -3,-1.2 203,-0.2 566,-0.2 365,-0.0 -0.648 91.6 -85.2-106.4 159.4 1.6 11.5 -34.3 66 70 A Y - 0 0 4 -2,-0.2 -1,-0.1 365,-0.1 566,-0.1 -0.312 52.2-169.2 -54.8 145.7 2.5 7.8 -34.4 67 71 A S - 0 0 4 564,-0.1 349,-0.1 -4,-0.1 348,-0.1 -0.924 29.6 -75.7-138.6 161.5 6.1 7.2 -33.3 68 72 A P > - 0 0 12 0, 0.0 3,-0.8 0, 0.0 345,-0.1 -0.211 41.3-121.1 -60.5 150.2 8.6 4.3 -33.3 69 73 A T T 3 S+ 0 0 2 1,-0.2 197,-0.4 343,-0.2 23,-0.2 0.837 103.3 68.2 -60.8 -35.9 8.1 1.7 -30.6 70 74 A E T 3 S- 0 0 24 1,-0.2 22,-2.4 21,-0.1 -1,-0.2 0.810 106.7-113.4 -61.6 -31.2 11.5 2.1 -28.9 71 75 A G < - 0 0 10 -3,-0.8 2,-0.3 20,-0.2 -1,-0.2 -0.500 44.8 -32.5 125.5 169.2 10.6 5.6 -27.6 72 76 A Y >> - 0 0 26 -2,-0.2 4,-2.0 1,-0.1 3,-0.8 -0.439 57.7-135.1 -61.8 122.1 11.4 9.2 -27.9 73 77 A A H 3> S+ 0 0 67 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.856 99.9 49.8 -56.8 -50.2 15.2 9.5 -28.7 74 78 A P H 3> S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.844 111.8 51.9 -58.3 -30.5 16.2 12.2 -26.3 75 79 A L H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.899 108.2 49.2 -68.0 -43.3 14.4 10.3 -23.5 76 80 A R H X S+ 0 0 48 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.915 113.7 49.1 -61.0 -36.9 16.2 7.0 -24.3 77 81 A A H X S+ 0 0 32 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.875 110.2 49.6 -69.2 -40.0 19.4 9.2 -24.2 78 82 A F H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 112.6 47.2 -60.3 -52.6 18.5 10.7 -20.9 79 83 A V H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.4 0.937 110.9 52.3 -55.4 -49.8 17.7 7.3 -19.3 80 84 A A H X>S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 5,-2.1 0.870 110.4 47.8 -54.6 -42.3 21.0 5.9 -20.7 81 85 A E H <5S+ 0 0 160 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.915 116.1 44.7 -65.8 -43.4 23.0 8.8 -19.2 82 86 A W H <5S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.942 121.1 36.9 -66.6 -48.7 21.2 8.3 -15.8 83 87 A I H <5S- 0 0 3 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.798 111.0-115.7 -79.3 -28.3 21.5 4.5 -15.7 84 88 A G T <5S+ 0 0 45 -4,-2.2 -3,-0.2 -5,-0.4 2,-0.2 0.801 76.8 103.0 95.4 36.5 25.0 4.3 -17.3 85 89 A V S - 0 0 150 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.789 34.4-116.3 -98.0 151.0 23.7 3.4 -24.2 87 91 A P G > S+ 0 0 62 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.835 112.9 62.4 -47.7 -43.6 20.4 4.7 -25.8 88 92 A E G 3 S+ 0 0 140 1,-0.3 -11,-0.0 3,-0.0 -12,-0.0 0.607 97.6 58.7 -62.9 -15.4 20.1 1.6 -28.0 89 93 A E G < S+ 0 0 23 -3,-2.1 158,-1.4 -13,-0.1 2,-0.4 0.389 91.9 89.6 -91.9 -0.9 19.8 -0.5 -24.8 90 94 A V E < -B 246 0B 0 -3,-2.0 2,-0.5 156,-0.2 156,-0.2 -0.851 51.8-171.9-106.6 133.1 16.7 1.4 -23.6 91 95 A L E -B 245 0B 1 154,-2.8 154,-2.3 -2,-0.4 2,-0.5 -0.991 19.8-140.1-115.7 120.2 13.0 0.7 -24.3 92 96 A I E -B 244 0B 0 -22,-2.4 174,-0.4 -2,-0.5 152,-0.3 -0.721 28.0-170.3 -76.0 128.5 10.5 3.3 -23.1 93 97 A T E -B 243 0B 0 150,-2.0 150,-2.3 -2,-0.5 2,-1.9 -0.737 36.9-103.2-121.0 168.0 7.4 1.5 -21.8 94 98 A T S S- 0 0 0 -2,-0.2 4,-0.5 148,-0.2 148,-0.3 -0.542 96.7 -40.4 -92.0 69.0 3.9 2.5 -20.7 95 99 A G S >> S- 0 0 0 -2,-1.9 4,-0.9 2,-0.2 3,-0.6 0.010 75.5 -87.0 82.8 159.8 4.8 2.3 -17.0 96 100 A S H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.724 124.8 76.1 -74.3 -20.1 6.9 -0.5 -15.6 97 101 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 94.0 50.6 -51.5 -43.4 3.7 -2.4 -15.3 98 102 A Q H <> S+ 0 0 2 -3,-0.6 4,-3.0 -4,-0.5 -1,-0.2 0.932 104.0 57.0 -60.3 -42.1 4.0 -2.9 -19.1 99 103 A A H X S+ 0 0 2 -4,-0.9 4,-2.4 1,-0.2 5,-0.2 0.897 106.4 50.4 -57.5 -38.7 7.5 -4.1 -18.8 100 104 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.915 110.1 49.7 -64.2 -44.8 6.2 -6.8 -16.4 101 105 A D H X S+ 0 0 1 -4,-2.0 4,-2.2 554,-0.2 -2,-0.2 0.930 112.7 48.4 -56.5 -43.8 3.5 -7.8 -19.0 102 106 A L H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.900 108.9 49.7 -70.6 -40.5 6.2 -8.0 -21.7 103 107 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.886 109.6 54.8 -67.4 -36.2 8.7 -10.1 -19.8 104 108 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.951 110.4 45.1 -55.7 -48.9 5.9 -12.5 -19.0 105 109 A K H < S+ 0 0 2 -4,-2.2 297,-0.3 1,-0.2 -2,-0.2 0.890 116.2 45.5 -62.5 -41.3 5.1 -12.8 -22.7 106 110 A V H < S+ 0 0 0 -4,-2.3 294,-2.5 296,-0.2 297,-0.6 0.840 126.8 23.8 -73.7 -34.4 8.7 -13.2 -23.8 107 111 A F H < S+ 0 0 0 -4,-2.2 2,-0.4 292,-0.2 -2,-0.2 0.646 104.9 73.1-110.8 -21.4 9.8 -15.8 -21.1 108 112 A L < + 0 0 1 -4,-2.3 294,-0.3 -5,-0.3 2,-0.3 -0.811 43.2 170.9-112.6 142.6 6.8 -17.8 -19.7 109 113 A D > - 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0 0 0 0, 0.0 4,-1.5 0, 0.0 -420,-0.2 -0.207 35.1-141.4 -52.3 138.4 -2.5 8.0 -19.0 661 272 B M H > S+ 0 0 8 -422,-0.9 4,-2.8 -205,-0.4 5,-0.3 0.887 95.8 58.3 -71.5 -45.8 -5.0 10.4 -17.4 662 273 B L H > S+ 0 0 0 -206,-1.0 4,-2.4 -423,-0.3 -1,-0.2 0.898 107.7 49.5 -46.7 -44.9 -3.7 13.6 -19.1 663 274 B N H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 111.8 47.1 -69.1 -42.1 -4.3 12.1 -22.5 664 275 B Q H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.906 114.3 47.0 -63.3 -46.4 -7.8 11.0 -21.7 665 276 B M H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.873 111.3 52.2 -63.3 -37.4 -8.7 14.4 -20.2 666 277 B L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.921 108.6 50.2 -69.0 -43.5 -7.1 16.1 -23.3 667 278 B V H X S+ 0 0 2 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.920 112.4 47.4 -57.0 -45.8 -9.2 14.1 -25.7 668 279 B H H X S+ 0 0 27 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.923 111.8 49.8 -66.1 -42.1 -12.3 14.9 -23.8 669 280 B E H < S+ 0 0 20 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.892 112.6 47.6 -62.0 -39.7 -11.5 18.7 -23.6 670 281 B L H < S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.786 121.1 33.9 -70.5 -28.8 -10.8 18.8 -27.3 671 282 B L H X S+ 0 0 1 -4,-1.4 4,-0.6 -3,-0.2 -2,-0.2 0.532 87.0 90.2-110.4 -9.6 -13.9 17.0 -28.4 672 283 B K T < S+ 0 0 92 -4,-1.7 2,-0.4 1,-0.2 -1,-0.1 0.728 98.0 37.2 -66.0 -22.6 -16.7 17.9 -26.0 673 284 B E T 4 S+ 0 0 157 -4,-0.3 -1,-0.2 -3,-0.1 0, 0.0 -0.998 126.1 7.2-128.2 131.7 -17.6 20.8 -28.2 674 285 B G T > S+ 0 0 39 -2,-0.4 4,-2.4 3,-0.1 5,-0.2 0.583 74.3 137.4 84.3 11.9 -17.6 20.8 -32.0 675 286 B F H X S+ 0 0 19 -4,-0.6 4,-2.7 1,-0.2 5,-0.2 0.929 72.6 50.8 -57.2 -48.0 -16.8 17.1 -32.6 676 287 B S H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 111.6 48.5 -54.9 -46.1 -19.4 16.7 -35.5 677 288 B E H > S+ 0 0 135 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 111.4 49.7 -62.2 -42.2 -17.8 19.8 -37.2 678 289 B R H X S+ 0 0 51 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 108.9 52.4 -60.3 -45.2 -14.3 18.3 -36.8 679 290 B L H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.867 106.0 54.2 -62.3 -37.0 -15.4 14.9 -38.2 680 291 B E H X S+ 0 0 93 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.902 108.9 49.4 -61.1 -42.5 -16.8 16.7 -41.2 681 292 B R H X S+ 0 0 107 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.923 109.6 49.8 -64.5 -43.9 -13.4 18.3 -41.8 682 293 B V H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.905 110.6 50.8 -66.6 -36.3 -11.5 15.1 -41.4 683 294 B R H X S+ 0 0 16 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.932 110.4 49.7 -59.7 -46.6 -13.8 13.4 -43.9 684 295 B R H X S+ 0 0 118 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.945 110.7 49.9 -57.0 -50.0 -13.3 16.2 -46.4 685 296 B V H X S+ 0 0 12 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.911 115.1 41.9 -56.9 -48.5 -9.5 16.0 -46.1 686 297 B Y H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.836 111.1 55.7 -71.2 -34.5 -9.3 12.3 -46.6 687 298 B R H X S+ 0 0 70 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.946 109.7 47.8 -58.4 -49.8 -11.9 12.4 -49.5 688 299 B E H X S+ 0 0 114 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.860 112.7 47.5 -58.5 -41.6 -9.7 14.9 -51.2 689 300 B K H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.904 111.8 50.3 -68.8 -41.0 -6.6 12.9 -50.7 690 301 B A H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.896 109.9 51.4 -59.6 -41.8 -8.4 9.7 -51.9 691 302 B Q H X S+ 0 0 118 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.905 111.7 46.1 -64.6 -45.7 -9.5 11.6 -55.1 692 303 B A H X S+ 0 0 15 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.907 113.0 51.1 -59.8 -45.5 -6.0 12.8 -55.8 693 304 B M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.911 111.4 46.0 -59.7 -47.0 -4.7 9.2 -55.2 694 305 B L H X S+ 0 0 25 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.909 111.9 51.2 -66.8 -40.3 -7.2 7.6 -57.5 695 306 B H H X S+ 0 0 128 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.903 112.4 47.1 -62.0 -43.2 -6.6 10.2 -60.3 696 307 B A H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.913 112.3 48.7 -67.0 -43.1 -2.9 9.6 -60.1 697 308 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.930 109.8 52.4 -62.3 -44.0 -3.2 5.8 -60.1 698 309 B D H < S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.914 117.2 40.3 -56.0 -43.4 -5.6 5.9 -63.1 699 310 B R H < S+ 0 0 117 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 125.8 29.7 -69.7 -47.1 -2.9 8.1 -64.9 700 311 B E H < S+ 0 0 47 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.661 97.3 82.9 -98.4 -22.0 0.3 6.3 -63.9 701 312 B V S < S- 0 0 5 -4,-2.3 75,-0.1 -5,-0.3 76,-0.1 -0.740 78.9-115.5 -97.5 132.0 -0.3 2.6 -63.3 702 313 B P > - 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