==== 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 TRANSFERASE 29-OCT-00 1G4X . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.MIZUGUCHI . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 1 1 1 0 2 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 1 1 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 . 0 1 1 0 0 1 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 . 3 0 0 0 0 1 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 0 193 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.9 41.3 13.3 15.2 2 6 A F > + 0 0 171 1,-0.2 3,-1.0 2,-0.1 0, 0.0 0.273 360.0 103.7-103.1 20.2 39.0 15.3 12.9 3 7 A E T 3 S+ 0 0 165 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.754 88.9 26.7 -78.4 -31.9 40.7 18.6 13.9 4 8 A N T 3 S+ 0 0 165 -3,-0.4 2,-0.4 2,-0.1 -1,-0.3 -0.083 85.7 136.7-119.7 29.1 42.7 19.2 10.8 5 9 A I < - 0 0 117 -3,-1.0 2,-0.2 1,-0.0 -3,-0.1 -0.679 51.1-134.5 -79.4 130.1 40.5 17.3 8.4 6 10 A T - 0 0 130 -2,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.548 22.8-104.2 -84.0 151.9 40.1 19.3 5.3 7 11 A A - 0 0 89 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.488 27.3-121.1 -78.0 144.9 36.7 19.8 3.7 8 12 A A - 0 0 91 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.638 38.9-103.9 -79.0 141.6 35.7 18.0 0.6 9 13 A P - 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.196 41.6 -90.0 -61.1 159.5 34.7 20.3 -2.3 10 14 A A - 0 0 83 1,-0.1 5,-0.1 2,-0.0 3,-0.0 -0.551 40.9-119.5 -74.2 130.9 31.1 20.9 -3.3 11 15 A D > - 0 0 76 3,-0.3 3,-1.4 -2,-0.3 -1,-0.1 -0.658 27.9-124.4 -76.9 113.7 29.9 18.4 -5.9 12 16 A P T 3> S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.550 102.8 49.4 -29.5 -53.4 28.9 20.5 -8.9 13 17 A I H 3> S+ 0 0 57 1,-0.3 4,-2.3 2,-0.2 2,-1.8 0.958 113.9 49.2 -64.3 -41.1 25.2 19.4 -9.6 14 18 A L H <4 S+ 0 0 98 -3,-1.4 -3,-0.3 1,-0.2 -1,-0.3 -0.566 108.3 55.1-101.5 73.5 24.4 20.0 -5.9 15 19 A G H >> S+ 0 0 22 -2,-1.8 4,-1.9 -3,-0.5 3,-0.5 -0.095 107.2 46.9-156.4 -56.4 26.1 23.3 -6.1 16 20 A L H 3X S+ 0 0 16 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.917 104.9 62.0 -59.9 -47.0 23.9 24.5 -9.0 17 21 A A H 3X S+ 0 0 42 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.836 105.4 46.6 -49.4 -37.1 20.7 23.3 -7.2 18 22 A D H <> S+ 0 0 68 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.949 112.9 48.6 -72.1 -47.1 21.4 25.7 -4.3 19 23 A L H < S+ 0 0 84 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.831 113.8 49.4 -58.4 -34.1 22.1 28.6 -6.7 20 24 A F H >< S+ 0 0 45 -4,-2.6 3,-1.5 -5,-0.2 -2,-0.2 0.935 110.9 45.7 -73.6 -49.3 18.9 27.7 -8.5 21 25 A R H 3< S+ 0 0 166 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.852 109.7 57.9 -65.1 -30.6 16.6 27.5 -5.5 22 26 A A T 3< S+ 0 0 71 -4,-2.4 2,-0.6 -5,-0.2 -1,-0.3 0.150 85.4 103.7 -82.6 23.8 18.1 30.8 -4.3 23 27 A D < - 0 0 17 -3,-1.5 5,-0.1 1,-0.1 -3,-0.0 -0.908 52.2-167.1-112.9 123.0 17.1 32.5 -7.5 24 28 A E + 0 0 152 -2,-0.6 -1,-0.1 0, 0.0 -4,-0.0 0.643 49.2 118.1 -81.0 -16.7 14.1 34.8 -7.3 25 29 A R > - 0 0 115 1,-0.1 3,-0.8 2,-0.1 -2,-0.1 -0.288 61.7-137.1 -57.6 137.6 13.5 35.2 -11.1 26 30 A P T 3 S+ 0 0 130 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.910 94.7 41.5 -62.9 -50.3 10.2 33.9 -12.5 27 31 A G T 3 S+ 0 0 53 338,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.192 77.9 150.5 -98.6 43.8 11.2 32.0 -15.7 28 32 A K < - 0 0 58 -3,-0.8 2,-0.4 -2,-0.4 339,-0.2 -0.514 27.5-161.1 -76.4 142.9 14.3 30.3 -14.3 29 33 A I E -a 367 0A 8 337,-2.2 339,-3.2 -2,-0.2 2,-0.6 -0.981 8.0-152.7-127.3 133.6 15.2 27.0 -16.0 30 34 A N E +a 368 0A 26 -2,-0.4 3,-0.2 349,-0.2 339,-0.2 -0.918 23.5 163.1-113.5 110.1 17.5 24.3 -14.6 31 35 A L + 0 0 3 337,-3.2 345,-1.5 -2,-0.6 3,-0.3 0.438 62.8 79.0 -99.9 -1.2 19.1 22.2 -17.2 32 36 A G + 0 0 3 336,-0.5 -1,-0.2 1,-0.2 -15,-0.2 -0.063 60.8 120.1 -99.2 39.4 21.8 20.7 -14.9 33 37 A I - 0 0 29 -3,-0.2 -1,-0.2 343,-0.1 3,-0.1 0.674 53.5-155.2 -81.2 -25.3 19.5 18.2 -13.3 34 38 A G + 0 0 11 -3,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.464 69.2 83.7 66.2 -4.1 20.9 14.6 -14.0 35 39 A V S S- 0 0 35 312,-0.1 2,-0.3 341,-0.0 -1,-0.1 -0.799 85.3-100.9-126.1 163.6 17.3 13.1 -13.5 36 40 A Y - 0 0 13 -2,-0.2 2,-0.3 -3,-0.1 343,-0.1 -0.695 35.0-172.3 -85.6 144.2 14.3 12.7 -15.9 37 41 A K - 0 0 52 -2,-0.3 6,-0.2 6,-0.1 2,-0.1 -0.947 13.5-138.8-129.5 149.0 11.4 15.2 -15.7 38 42 A D > - 0 0 40 4,-2.2 3,-2.6 -2,-0.3 4,-0.2 -0.380 48.9 -72.0 -91.4-171.4 8.1 15.0 -17.5 39 43 A E T 3 S+ 0 0 106 1,-0.3 344,-0.2 2,-0.1 -1,-0.0 0.686 133.9 52.4 -53.7 -25.7 6.2 17.9 -19.2 40 44 A T T 3 S- 0 0 92 2,-0.1 -1,-0.3 341,-0.0 3,-0.1 0.372 118.6-108.5 -94.8 5.1 5.3 19.4 -15.8 41 45 A G S < S+ 0 0 38 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.799 78.5 128.1 71.3 33.4 8.9 19.3 -14.5 42 46 A K - 0 0 126 -4,-0.2 -4,-2.2 2,-0.0 -1,-0.3 -0.828 58.5-143.6-117.6 155.8 8.2 16.4 -12.1 43 47 A T - 0 0 48 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.0 -0.825 37.5-167.8-116.0 83.8 10.0 13.1 -11.6 44 48 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 3,-0.0 -0.128 26.5-110.8 -74.3 165.9 6.9 11.0 -10.9 45 49 A V - 0 0 68 205,-0.1 204,-0.1 1,-0.0 205,-0.1 -0.843 47.4-109.2 -93.5 132.9 6.8 7.4 -9.6 46 50 A L > - 0 0 13 -2,-0.5 4,-2.4 202,-0.4 3,-0.3 -0.368 13.9-123.6 -64.4 147.0 5.6 5.2 -12.5 47 51 A T H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 111.4 55.2 -57.0 -40.9 2.1 3.7 -12.4 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 108.3 46.7 -64.8 -34.1 3.6 0.2 -12.8 49 53 A V H > S+ 0 0 3 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.913 111.0 52.8 -78.0 -33.0 5.8 0.6 -9.8 50 54 A K H X S+ 0 0 125 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.944 111.9 46.4 -60.9 -42.0 2.9 2.0 -7.7 51 55 A K H X S+ 0 0 113 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.920 112.5 50.0 -65.5 -41.9 0.9 -1.1 -8.7 52 56 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 110.0 51.1 -64.2 -37.1 3.9 -3.3 -7.8 53 57 A E H X S+ 0 0 48 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.853 106.5 52.4 -68.8 -36.1 4.2 -1.6 -4.4 54 58 A Q H X S+ 0 0 108 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.929 110.7 50.4 -64.1 -40.5 0.5 -2.1 -3.6 55 59 A Y H X S+ 0 0 119 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.941 110.5 47.7 -60.5 -50.3 1.1 -5.8 -4.4 56 60 A L H X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.907 109.4 53.5 -60.3 -41.3 4.2 -6.0 -2.1 57 61 A L H < S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 114.0 42.5 -60.6 -40.1 2.4 -4.3 0.8 58 62 A E H < S+ 0 0 136 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.827 123.5 36.7 -76.0 -31.8 -0.5 -6.8 0.5 59 63 A N H < S+ 0 0 88 -4,-2.4 2,-0.2 -5,-0.2 -2,-0.2 0.721 84.3 104.0-100.7 -18.5 1.8 -9.8 0.1 60 64 A E < + 0 0 71 -4,-2.9 3,-0.1 -5,-0.2 -4,-0.0 -0.443 31.8 171.4 -70.1 127.5 5.0 -9.4 2.2 61 66 A T + 0 0 143 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.543 64.9 24.5-106.8 -7.2 5.1 -11.5 5.4 62 67 A T - 0 0 89 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.980 46.6-155.4-156.0 152.9 8.7 -10.9 6.5 63 68 A K + 0 0 161 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 -0.150 49.0 148.7-117.1 27.1 11.5 -8.4 6.1 64 69 A N - 0 0 122 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.342 57.7 -77.0 -64.8 148.1 14.1 -11.1 6.8 65 70 A Y - 0 0 182 1,-0.1 2,-0.2 220,-0.0 -1,-0.1 -0.034 39.9-132.9 -48.9 141.4 17.4 -10.6 5.0 66 71 A L - 0 0 42 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.456 39.3 -87.6 -82.7 167.2 17.9 -11.4 1.4 67 72 A G > - 0 0 39 3,-0.3 3,-2.4 -2,-0.2 -1,-0.2 -0.303 48.2 -93.0 -69.6 168.3 20.9 -13.5 0.5 68 73 A I T 3 S+ 0 0 48 1,-0.3 3,-0.1 217,-0.2 -1,-0.1 0.882 128.7 44.3 -49.5 -43.2 24.2 -11.7 -0.3 69 74 A D T 3 S- 0 0 45 1,-0.3 30,-1.8 29,-0.1 -1,-0.3 0.289 111.6-126.2 -92.1 12.1 23.3 -11.6 -4.0 70 75 A G < - 0 0 6 -3,-2.4 -3,-0.3 28,-0.2 -1,-0.3 -0.340 56.6 -9.8 78.1-158.3 19.7 -10.5 -3.5 71 76 A I >> - 0 0 38 1,-0.1 4,-1.6 -3,-0.1 3,-0.7 -0.597 55.7-136.7 -90.3 131.9 16.6 -12.0 -4.8 72 77 A P H 3> S+ 0 0 115 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.830 100.6 53.6 -53.3 -47.5 16.9 -14.8 -7.4 73 78 A E H 3> S+ 0 0 80 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.873 105.8 54.6 -58.3 -39.1 14.1 -13.6 -9.8 74 79 A F H <> S+ 0 0 2 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.958 109.1 48.4 -59.7 -49.7 15.7 -10.2 -10.0 75 80 A G H X S+ 0 0 10 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.912 111.7 49.1 -54.1 -50.4 18.9 -11.9 -11.1 76 81 A R H X S+ 0 0 109 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.944 112.7 48.4 -54.4 -50.6 17.0 -14.0 -13.7 77 82 A C H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.881 111.0 46.8 -64.8 -40.6 15.2 -11.0 -15.1 78 83 A T H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.919 111.2 53.5 -74.1 -34.9 18.3 -8.6 -15.5 79 84 A Q H X S+ 0 0 25 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.940 111.1 46.0 -60.5 -44.4 20.3 -11.5 -17.2 80 85 A E H X S+ 0 0 57 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.884 113.9 48.5 -65.1 -39.0 17.5 -11.9 -19.7 81 86 A L H < S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.931 118.4 41.5 -63.0 -42.6 17.2 -8.1 -20.3 82 87 A L H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.905 130.0 21.6 -71.4 -46.9 21.0 -7.9 -20.7 83 88 A F H < S- 0 0 11 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.516 110.3-101.9-107.8 -4.7 21.7 -10.9 -22.8 84 89 A G >< - 0 0 8 -4,-1.7 3,-1.4 -5,-0.3 6,-0.2 0.215 38.1 -82.2 90.9 145.4 18.4 -11.8 -24.5 85 90 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -5,-0.1 -4,-0.1 0.739 124.9 37.0 -55.3 -34.8 16.0 -14.5 -23.6 86 91 A G T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 -6,-0.1 2,-0.3 -0.246 84.2 156.2-113.6 41.9 17.7 -17.5 -25.3 87 92 A S <> - 0 0 21 -3,-1.4 4,-2.6 1,-0.1 3,-0.4 -0.523 46.3-141.2 -74.5 139.2 21.3 -16.5 -24.6 88 93 A A H > S+ 0 0 58 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.886 103.8 62.1 -62.6 -37.0 24.0 -19.1 -24.6 89 94 A L H 4>S+ 0 0 7 1,-0.2 5,-2.7 2,-0.2 6,-0.6 0.887 108.8 42.0 -56.6 -39.8 25.5 -17.3 -21.6 90 95 A I H >45S+ 0 0 31 -3,-0.4 3,-1.4 3,-0.2 -2,-0.2 0.951 115.9 47.1 -74.3 -48.8 22.4 -18.0 -19.6 91 96 A N H 3<5S+ 0 0 115 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.801 114.8 45.1 -70.1 -26.7 21.9 -21.6 -20.8 92 97 A D T 3<5S- 0 0 97 -4,-2.8 173,-0.5 -5,-0.2 -1,-0.3 0.431 110.7-128.1 -89.4 0.7 25.5 -22.6 -20.2 93 98 A K T < 5 + 0 0 143 -3,-1.4 -3,-0.2 -5,-0.2 175,-0.2 0.931 60.5 143.1 49.3 57.7 25.2 -20.8 -16.8 94 99 A R < + 0 0 25 -5,-2.7 168,-1.3 -6,-0.2 2,-0.4 0.392 52.2 69.6 -99.1 -0.7 28.3 -18.6 -17.3 95 100 A A E -B 261 0B 6 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.946 54.6-173.4-127.4 141.7 26.9 -15.5 -15.7 96 101 A R E -B 260 0B 76 164,-1.9 164,-2.7 -2,-0.4 2,-0.4 -0.993 11.0-154.0-131.9 140.6 26.0 -14.7 -12.1 97 102 A T E -B 259 0B 8 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.944 5.8-164.8-121.4 130.9 24.2 -11.6 -10.9 98 103 A A E -B 258 0B 0 160,-2.2 160,-2.8 -2,-0.4 2,-0.4 -0.967 24.5-129.1-109.7 128.5 24.4 -9.9 -7.5 99 104 A Q E -B 257 0B 2 -30,-1.8 158,-0.3 -2,-0.5 156,-0.0 -0.684 37.5-176.2 -70.2 129.3 21.7 -7.3 -6.7 100 105 A T E -B 256 0B 0 156,-2.1 2,-1.8 -2,-0.4 156,-1.5 -0.775 39.6 -87.7-125.6 166.1 23.4 -4.1 -5.5 101 106 A P E > S-B 255 0B 32 0, 0.0 4,-1.2 0, 0.0 154,-0.3 -0.568 92.6 -51.9 -69.2 80.4 22.5 -0.6 -4.1 102 107 A G H > S- 0 0 0 -2,-1.8 4,-2.1 152,-0.5 154,-0.3 0.057 79.2 -62.1 76.9 173.7 22.2 1.1 -7.5 103 108 A G H > S+ 0 0 8 152,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.863 134.6 54.7 -60.7 -40.2 24.6 1.2 -10.5 104 109 A T H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 107.6 50.8 -62.8 -41.9 27.3 3.0 -8.4 105 110 A G H X S+ 0 0 14 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.908 108.6 52.3 -61.7 -41.6 27.1 0.2 -5.8 106 111 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.939 109.7 48.7 -59.1 -44.4 27.5 -2.3 -8.7 107 112 A L H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.897 111.6 50.0 -62.9 -41.2 30.6 -0.4 -9.9 108 113 A R H X S+ 0 0 77 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.910 110.0 47.5 -70.0 -39.2 32.1 -0.4 -6.4 109 114 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.914 112.9 51.0 -69.6 -33.7 31.6 -4.1 -5.6 110 115 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.953 111.2 48.6 -61.5 -47.7 33.2 -4.8 -9.1 111 116 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.897 114.0 44.8 -58.4 -47.1 36.1 -2.5 -8.2 112 117 A D H X S+ 0 0 19 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.944 113.8 49.6 -64.2 -46.5 36.6 -4.2 -4.8 113 118 A F H X S+ 0 0 14 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.943 114.4 45.8 -55.5 -49.8 36.3 -7.7 -6.2 114 119 A L H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 6,-0.4 0.965 115.0 45.2 -60.6 -52.3 38.8 -6.8 -9.0 115 120 A A H < S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.785 120.3 40.7 -64.9 -31.7 41.4 -5.1 -6.7 116 121 A K H < S+ 0 0 123 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.857 127.1 28.7 -82.8 -37.0 41.2 -7.9 -4.1 117 122 A N H < S+ 0 0 60 -4,-2.7 2,-0.2 -5,-0.3 -2,-0.2 0.499 115.5 35.4-111.4 -6.9 41.0 -10.9 -6.4 118 123 A T S < S- 0 0 67 -4,-2.3 0, 0.0 -5,-0.2 0, 0.0 -0.680 80.1-104.2-130.9-168.9 42.9 -10.3 -9.7 119 124 A S + 0 0 112 -2,-0.2 2,-0.3 53,-0.0 -4,-0.1 0.009 66.9 135.8-105.5 25.6 45.9 -8.4 -10.9 120 125 A V + 0 0 9 -6,-0.4 -2,-0.2 1,-0.2 53,-0.1 -0.618 17.0 163.0 -80.9 136.3 44.0 -5.4 -12.5 121 126 A K + 0 0 97 -2,-0.3 22,-3.1 1,-0.2 2,-0.3 0.556 56.9 46.1-121.7 -25.0 45.6 -2.2 -11.6 122 129 A R E -c 143 0B 84 50,-0.2 52,-2.0 20,-0.2 2,-0.4 -0.956 55.2-162.5-130.1 147.3 44.2 0.2 -14.1 123 133 A V E -cd 144 174B 0 20,-2.6 22,-2.5 -2,-0.3 2,-0.5 -0.993 17.1-143.2-123.1 128.8 40.7 1.0 -15.4 124 134 A W E -cd 145 175B 7 50,-2.6 52,-3.0 -2,-0.4 2,-0.3 -0.854 22.0-178.0 -96.2 128.5 40.3 2.9 -18.7 125 135 A V E -c 146 0B 3 20,-3.0 22,-2.0 -2,-0.5 52,-0.1 -0.872 29.9 -99.4-124.1 151.8 37.4 5.4 -18.7 126 136 A S E -c 147 0B 0 -2,-0.3 22,-0.2 20,-0.2 23,-0.1 -0.350 37.9-102.8 -74.3 156.5 36.3 7.6 -21.6 127 137 A N E S+c 148 0B 80 20,-1.9 23,-1.1 1,-0.2 22,-0.6 -0.981 112.0 24.6-112.1 116.4 37.1 11.3 -21.8 128 138 A P S S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.761 84.7 148.7 -82.4 171.0 34.5 12.6 -21.0 129 139 A S - 0 0 22 55,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.935 54.2 -80.7-148.9 156.6 32.5 10.3 -18.8 130 140 A W - 0 0 59 53,-0.8 3,-0.2 -2,-0.3 53,-0.1 -0.712 62.1 -94.9 -95.9 152.4 30.1 11.1 -16.0 131 141 A P S > S+ 0 0 64 0, 0.0 3,-1.1 0, 0.0 2,-1.1 0.509 95.4 44.9 -97.0 -55.2 31.7 11.8 -13.1 132 142 A N T 3> S+ 0 0 69 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.128 74.8 108.9 -71.7 28.3 32.6 9.8 -9.9 133 143 A H H 3> S+ 0 0 9 -2,-1.1 4,-1.9 -3,-0.2 3,-0.3 0.971 79.7 54.7 -59.9 -47.9 33.8 6.8 -12.0 134 144 A K H <> S+ 0 0 76 -3,-1.1 4,-3.0 1,-0.2 5,-0.3 0.923 106.6 44.9 -52.6 -59.1 37.2 8.0 -10.8 135 145 A S H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.803 109.4 57.1 -62.4 -29.7 36.6 8.0 -7.0 136 146 A V H X S+ 0 0 11 -4,-1.4 4,-1.2 -3,-0.3 -1,-0.2 0.973 116.1 34.8 -64.1 -49.5 34.9 4.5 -7.1 137 147 A F H <>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 4,-0.5 0.930 117.3 53.2 -75.0 -38.9 37.9 2.9 -8.7 138 148 A N H ><5S+ 0 0 85 -4,-3.0 3,-0.9 -5,-0.3 -1,-0.2 0.853 104.6 55.4 -65.7 -31.2 40.5 5.0 -6.8 139 149 A S H 3<5S+ 0 0 66 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.892 106.7 51.6 -69.0 -33.0 38.9 4.1 -3.4 140 150 A A T 3<5S- 0 0 19 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.577 126.2-105.9 -75.1 -9.5 39.4 0.5 -4.3 141 151 A G T < 5S+ 0 0 48 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.698 75.5 136.2 93.4 19.5 43.1 1.2 -5.1 142 152 A L < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.3 -0.797 53.1-126.9-102.2 142.2 42.7 1.1 -8.9 143 154 A E E -c 122 0B 82 -22,-3.1 -20,-2.6 -2,-0.4 2,-0.4 -0.627 20.6-148.0 -83.7 143.8 44.3 3.6 -11.2 144 155 A V E -c 123 0B 17 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.958 17.3-179.3-118.2 134.7 42.0 5.2 -13.7 145 156 A R E -c 124 0B 93 -22,-2.5 -20,-3.0 -2,-0.4 2,-0.4 -0.897 19.6-126.8-127.3 155.4 43.3 6.3 -17.1 146 157 A E E -c 125 0B 85 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.865 12.1-160.7-114.5 144.0 41.3 8.0 -19.9 147 158 A Y E -c 126 0B 2 -22,-2.0 -20,-1.9 -2,-0.4 15,-0.1 -0.839 34.3-100.8-111.8 154.1 40.8 7.2 -23.6 148 159 A A E +c 127 0B 34 13,-0.5 18,-0.1 -2,-0.3 17,-0.1 -0.392 50.9 150.1 -73.8 152.2 39.7 9.7 -26.2 149 160 A Y + 0 0 10 -22,-0.6 9,-2.7 1,-0.4 2,-0.2 0.480 45.1 60.4-146.4 -56.7 36.1 9.6 -27.2 150 161 A Y E -H 157 0C 42 -23,-1.1 2,-0.6 7,-0.2 -1,-0.4 -0.549 55.2-148.7 -94.7 151.6 34.5 12.9 -28.3 151 162 A D E >> -H 156 0C 26 5,-2.2 4,-2.7 -2,-0.2 5,-1.2 -0.944 10.7-163.7-115.9 105.1 35.3 15.2 -31.1 152 163 A A T 45S+ 0 0 66 -2,-0.6 -1,-0.2 2,-0.2 198,-0.0 0.906 85.3 49.7 -53.7 -46.1 34.4 18.7 -30.0 153 164 A E T 45S+ 0 0 165 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.978 122.5 28.4 -61.7 -59.4 34.5 20.2 -33.4 154 165 A N T 45S- 0 0 110 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.732 98.7-128.4 -79.4 -18.2 32.4 17.7 -35.3 155 166 A H T <5 + 0 0 45 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.983 69.5 118.8 61.4 66.0 30.2 16.6 -32.2 156 167 A T E + 0 0 51 -9,-2.7 4,-2.0 -2,-0.7 -1,-0.1 -0.594 24.4 176.2 -86.9 85.1 36.3 10.2 -32.8 159 170 A F H > S+ 0 0 36 -2,-1.8 4,-2.5 2,-0.2 5,-0.3 0.843 71.4 54.7 -61.0 -38.2 36.8 6.6 -33.3 160 171 A D H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.967 111.3 44.6 -63.8 -49.8 40.4 6.8 -34.6 161 172 A A H > S+ 0 0 25 2,-0.2 4,-2.4 3,-0.2 -13,-0.5 0.835 111.4 57.4 -62.9 -31.8 41.5 8.7 -31.5 162 173 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 3,-0.4 0.998 113.7 34.5 -62.3 -63.7 39.5 6.2 -29.4 163 174 A I H X S+ 0 0 50 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.910 117.3 56.7 -63.9 -37.1 41.3 3.0 -30.7 164 175 A N H < S+ 0 0 120 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.902 113.1 38.9 -56.3 -46.0 44.6 4.9 -30.9 165 176 A S H >< S+ 0 0 33 -4,-2.4 3,-1.8 -3,-0.4 4,-0.2 0.919 111.4 58.2 -74.5 -37.3 44.5 5.9 -27.3 166 177 A L H >< S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.797 88.7 75.9 -66.3 -22.6 43.2 2.6 -26.1 167 178 A N T 3< S+ 0 0 76 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.459 83.7 65.9 -67.9 -0.5 46.2 0.8 -27.7 168 179 A E T < S+ 0 0 92 -3,-1.8 -1,-0.3 2,-0.1 2,-0.2 0.503 80.3 100.8 -90.7 -8.9 48.3 2.0 -24.7 169 180 A A S < S- 0 0 9 -3,-2.1 2,-0.2 -4,-0.2 3,-0.1 -0.524 70.5-137.1 -74.5 141.7 46.2 -0.2 -22.5 170 181 A Q > - 0 0 112 -2,-0.2 3,-1.7 1,-0.1 2,-0.1 -0.577 30.1 -81.8 -94.1 165.9 48.0 -3.5 -21.6 171 182 A A T 3 S+ 0 0 77 1,-0.3 35,-0.2 -2,-0.2 34,-0.2 -0.451 120.0 35.8 -64.4 130.6 46.6 -7.0 -21.5 172 183 A G T 3 S+ 0 0 39 33,-2.9 2,-0.3 1,-0.4 -1,-0.3 0.468 88.7 123.9 99.8 -0.6 44.9 -7.4 -18.2 173 184 A D < - 0 0 11 -3,-1.7 34,-2.7 32,-0.3 -1,-0.4 -0.695 60.4-124.5 -88.6 151.2 43.6 -3.8 -18.0 174 185 A V E -de 123 207B 0 -52,-2.0 -50,-2.6 -2,-0.3 2,-0.5 -0.752 19.0-160.0 -92.2 138.6 39.9 -3.1 -17.5 175 186 A V E -de 124 208B 2 32,-2.4 34,-2.7 -2,-0.4 2,-0.5 -0.993 9.7-146.1-122.7 123.1 38.2 -0.9 -20.1 176 187 A L E - e 0 209B 0 -52,-3.0 2,-0.4 -2,-0.5 34,-0.2 -0.793 18.7-175.4 -88.2 126.1 34.9 0.7 -19.0 177 188 A F E - e 0 210B 6 32,-2.7 34,-3.0 -2,-0.5 2,-0.5 -0.941 26.5-128.4-121.6 144.2 32.2 1.2 -21.8 178 189 A H E - e 0 211B 16 -2,-0.4 34,-0.2 32,-0.2 4,-0.2 -0.813 20.0-143.8 -86.5 130.1 28.9 2.9 -21.6 179 190 A G S S- 0 0 3 32,-2.6 48,-0.3 -2,-0.5 2,-0.3 0.817 70.4 -26.8 -66.0 -36.9 26.3 0.4 -23.0 180 191 A C S S+ 0 0 7 31,-0.3 33,-0.3 1,-0.1 34,-0.3 -0.923 121.6 40.3-168.9 165.4 24.1 3.0 -24.7 181 192 A C S S- 0 0 4 -2,-0.3 166,-0.1 5,-0.2 -2,-0.1 0.947 80.9-140.5 46.2 60.1 23.3 6.7 -24.2 182 193 A H > - 0 0 2 -4,-0.2 4,-3.2 5,-0.1 5,-0.2 -0.247 22.6-109.6 -51.1 120.9 26.8 7.7 -23.3 183 194 A A T 4 S+ 0 0 7 1,-0.3 -53,-0.8 2,-0.2 -1,-0.1 -0.834 93.7 9.9 -94.0 130.2 26.8 10.3 -20.5 184 195 A P T 4 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 191,-0.2 -0.972 132.8 38.0 -99.1 8.8 27.6 13.1 -21.1 185 196 A T T 4 S- 0 0 1 -57,-0.2 165,-0.3 164,-0.2 -2,-0.2 0.767 78.2-139.3 -90.5 -27.8 27.8 13.3 -25.0 186 197 A G < + 0 0 1 -4,-3.2 159,-2.7 1,-0.3 2,-0.5 0.555 59.8 131.5 75.2 11.1 24.9 11.1 -26.1 187 198 A I - 0 0 22 -5,-0.2 -1,-0.3 157,-0.2 -2,-0.2 -0.823 34.8-175.4 -96.6 129.9 27.2 9.6 -28.9 188 199 A D - 0 0 27 -2,-0.5 -31,-0.1 -3,-0.1 -9,-0.1 -0.903 30.1-100.0-121.1 149.3 27.2 5.8 -29.1 189 200 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 38,-0.1 -0.359 38.9-116.9 -60.2 143.4 29.2 3.4 -31.2 190 201 A T > - 0 0 82 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.491 34.1-101.6 -71.0 158.3 27.4 2.1 -34.2 191 202 A L H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.877 125.3 50.5 -56.7 -37.2 26.9 -1.8 -34.1 192 203 A E H > S+ 0 0 138 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 110.0 49.2 -65.6 -40.1 29.8 -2.2 -36.5 193 204 A Q H > S+ 0 0 51 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.861 109.8 51.9 -66.6 -37.3 32.1 -0.1 -34.3 194 205 A W H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.925 110.9 49.2 -62.9 -42.1 31.0 -2.1 -31.3 195 206 A Q H X S+ 0 0 92 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 111.1 46.7 -66.1 -40.2 31.9 -5.3 -33.3 196 207 A T H X S+ 0 0 63 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.929 113.4 51.0 -69.7 -36.2 35.4 -4.0 -34.3 197 208 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.892 109.6 50.1 -62.1 -42.0 35.8 -2.9 -30.6 198 209 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.934 112.3 46.9 -63.1 -46.1 34.8 -6.4 -29.5 199 210 A Q H X S+ 0 0 114 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.895 113.8 47.2 -61.8 -44.8 37.3 -8.0 -31.9 200 211 A L H X S+ 0 0 33 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.943 108.2 58.5 -63.1 -43.9 40.1 -5.7 -30.9 201 212 A S H X>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 4,-1.3 0.867 106.2 44.9 -54.2 -45.2 39.3 -6.3 -27.2 202 213 A V H <5S+ 0 0 64 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.0 52.1 -70.5 -34.7 39.8 -10.1 -27.3 203 214 A E H <5S+ 0 0 155 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 115.6 40.0 -68.8 -34.8 43.1 -9.7 -29.3 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