==== 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(AMINOTRANSFERASE) 05-FEB-92 1AMA . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.G.VINCENT,J.-C.GENOVESIO-TAVERNE,J.N.JANSONIUS . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 3 0 0 0 2 2 1 1 3 0 1 0 1 0 0 1 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 . 1 1 1 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 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 3 A S 0 0 162 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 138.3 49.6 32.4 8.6 2 4 A S - 0 0 101 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.259 360.0 -84.1-111.7-163.5 47.1 29.8 9.8 3 5 A W S S+ 0 0 208 1,-0.2 3,-0.3 -2,-0.1 0, 0.0 0.894 124.9 29.7 -73.6 -48.1 44.5 29.5 12.5 4 6 A W S > S+ 0 0 188 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.013 78.1 113.7-104.6 23.7 47.0 28.3 15.1 5 7 A S T 3 S+ 0 0 76 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.802 82.4 52.0 -66.6 -24.1 50.3 29.8 14.1 6 8 A H T 3 S+ 0 0 139 -3,-0.3 2,-0.5 -4,-0.1 -1,-0.2 0.568 80.1 106.1 -88.1 -7.3 50.3 31.8 17.3 7 9 A V < - 0 0 91 -3,-1.1 2,-0.1 1,-0.0 -3,-0.0 -0.683 62.3-153.1 -75.3 118.4 49.6 28.9 19.7 8 10 A E - 0 0 179 -2,-0.5 2,-0.5 1,-0.1 -2,-0.1 -0.406 25.4 -85.7 -91.1 171.2 53.0 28.4 21.5 9 11 A M - 0 0 182 -2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.646 43.9-157.5 -75.0 120.1 54.5 25.3 23.0 10 12 A G - 0 0 48 -2,-0.5 -3,-0.0 1,-0.1 -1,-0.0 -0.644 25.3-100.6 -96.1 160.6 53.2 24.9 26.6 11 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.265 36.7 -92.6 -77.9 165.0 55.3 22.9 29.0 12 14 A P - 0 0 92 0, 0.0 6,-0.0 0, 0.0 0, 0.0 -0.434 57.6 -84.0 -72.8 152.2 54.7 19.3 30.2 13 15 A D > - 0 0 66 1,-0.1 4,-0.6 -2,-0.1 5,-0.2 -0.215 31.6-125.7 -59.8 141.9 52.7 18.9 33.4 14 16 A P T 4 S+ 0 0 99 0, 0.0 361,-0.3 0, 0.0 -1,-0.1 0.837 106.4 15.9 -55.1 -35.4 54.7 19.2 36.6 15 17 A I T >> S+ 0 0 13 359,-0.1 3,-1.4 2,-0.1 4,-0.5 0.863 132.7 39.5-101.4 -65.7 53.4 15.8 37.8 16 18 A L H >> S+ 0 0 88 1,-0.3 4,-1.2 2,-0.2 3,-0.9 0.785 106.9 66.6 -59.8 -36.4 51.9 13.9 34.8 17 19 A G H 3X S+ 0 0 7 -4,-0.6 4,-1.9 1,-0.3 -1,-0.3 0.744 92.3 64.0 -59.9 -25.9 54.7 15.1 32.6 18 20 A V H <> S+ 0 0 17 -3,-1.4 4,-2.6 -5,-0.2 -1,-0.3 0.876 98.6 52.3 -67.5 -38.1 57.0 13.0 34.8 19 21 A T H < S+ 0 0 37 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.911 101.2 62.1 -57.9 -46.4 59.9 8.2 32.6 23 25 A K H 3< S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 102.8 48.6 -46.7 -46.8 58.2 6.3 29.7 24 26 A R H 3< S+ 0 0 190 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.522 83.7 108.0 -73.3 -18.6 61.1 7.2 27.2 25 27 A D << - 0 0 33 -3,-1.5 5,-0.1 -4,-0.6 -3,-0.0 -0.477 51.5-162.2 -68.0 138.4 64.0 6.2 29.5 26 28 A T + 0 0 139 -2,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.372 49.8 122.9-100.6 -2.3 65.7 2.9 28.4 27 29 A N > - 0 0 46 1,-0.2 3,-1.9 2,-0.1 -2,-0.1 -0.525 58.7-145.9 -63.6 116.7 67.5 2.3 31.8 28 30 A S T 3 S+ 0 0 124 -2,-0.4 -1,-0.2 1,-0.3 342,-0.0 0.617 97.2 52.5 -61.8 -14.9 66.3 -1.1 32.9 29 31 A K T 3 S+ 0 0 120 2,-0.1 -1,-0.3 362,-0.0 -2,-0.1 0.087 78.0 138.3-106.7 17.2 66.5 0.1 36.5 30 32 A K < - 0 0 58 -3,-1.9 2,-0.4 341,-0.1 341,-0.2 -0.308 35.4-160.3 -65.9 150.6 64.3 3.2 36.1 31 33 A M E -a 371 0A 9 339,-1.9 341,-2.5 338,-0.0 2,-0.9 -0.996 12.1-144.6-132.3 135.6 61.8 3.9 38.8 32 34 A N E +a 372 0A 36 -2,-0.4 341,-0.1 351,-0.2 339,-0.1 -0.836 35.4 153.3-105.6 95.6 58.7 6.2 38.4 33 35 A L + 0 0 0 339,-2.7 347,-1.4 -2,-0.9 341,-0.4 -0.063 48.3 97.0-109.4 29.0 58.3 7.9 41.8 34 36 A G S S+ 0 0 0 339,-0.3 340,-0.3 345,-0.2 2,-0.1 0.979 76.0 40.9 -78.8 -79.4 56.6 10.9 40.1 35 37 A V S S- 0 0 24 -20,-0.1 2,-2.7 1,-0.1 348,-0.1 -0.347 90.9-104.9 -78.4 152.3 52.8 10.3 40.5 36 38 A G + 0 0 0 367,-2.6 2,-0.5 -2,-0.1 -1,-0.1 -0.416 67.3 144.7 -73.1 73.0 51.0 9.0 43.5 37 39 A A - 0 0 18 -2,-2.7 2,-0.1 314,-0.1 213,-0.1 -0.970 45.7-127.1-126.2 125.9 50.4 5.5 42.1 38 40 A Y - 0 0 16 -2,-0.5 8,-0.7 8,-0.1 2,-0.3 -0.320 24.0-175.5 -69.2 139.6 50.5 2.3 44.1 39 41 A R B -B 45 0B 69 343,-1.4 345,-0.1 6,-0.2 2,-0.0 -0.937 24.8-118.8-131.1 150.3 52.6 -0.6 43.1 40 42 A D > - 0 0 41 4,-2.7 3,-2.2 -2,-0.3 4,-0.1 -0.141 48.8 -81.5 -81.4-175.8 52.7 -4.1 44.8 41 43 A D T 3 S+ 0 0 60 1,-0.3 345,-0.5 2,-0.2 346,-0.4 0.306 133.1 57.4 -71.2 11.4 56.0 -5.4 46.3 42 44 A N T 3 S- 0 0 119 2,-0.2 -1,-0.3 343,-0.1 343,-0.1 0.321 120.7-111.2-116.7 -4.2 57.1 -6.5 42.9 43 45 A G S < S+ 0 0 29 -3,-2.2 -2,-0.2 1,-0.3 342,-0.1 0.899 74.9 135.4 69.5 47.1 56.8 -2.9 41.8 44 46 A K - 0 0 128 -4,-0.1 -4,-2.7 1,-0.0 -1,-0.3 -0.925 66.6 -93.5-124.1 143.2 53.8 -3.8 39.5 45 47 A P B -B 39 0B 89 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.338 45.2-142.0 -54.9 142.4 50.5 -2.0 39.2 46 48 A Y - 0 0 66 -8,-0.7 2,-0.6 -6,-0.0 -8,-0.1 -0.983 16.1-166.8-121.8 121.4 48.0 -3.6 41.6 47 49 A V - 0 0 59 -2,-0.5 206,-0.1 207,-0.1 5,-0.1 -0.914 36.5-113.1-102.7 119.0 44.3 -4.1 40.8 48 50 A L >> - 0 0 1 -2,-0.6 4,-2.6 204,-0.4 3,-0.6 -0.230 10.1-127.6 -61.2 142.2 42.5 -5.0 44.0 49 51 A N H 3> S+ 0 0 79 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.887 112.2 52.7 -54.1 -47.6 41.0 -8.4 44.5 50 52 A C H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.794 109.8 52.1 -61.4 -28.9 37.6 -6.9 45.5 51 53 A V H <> S+ 0 0 5 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.919 105.9 51.3 -71.3 -50.0 37.9 -5.0 42.2 52 54 A R H X S+ 0 0 140 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.862 114.6 45.1 -55.9 -39.0 38.6 -8.1 40.1 53 55 A K H X S+ 0 0 92 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.812 110.7 51.5 -75.0 -33.3 35.6 -9.8 41.6 54 56 A A H X S+ 0 0 0 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.824 108.8 52.1 -73.4 -34.4 33.2 -6.8 41.3 55 57 A E H X S+ 0 0 56 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.844 106.6 55.5 -67.4 -36.9 34.1 -6.5 37.6 56 58 A A H X S+ 0 0 55 -4,-1.1 4,-2.0 -5,-0.2 -1,-0.2 0.671 105.1 50.4 -68.6 -25.4 33.3 -10.2 37.2 57 59 A M H X S+ 0 0 68 -4,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.782 106.9 55.3 -83.7 -28.1 29.8 -9.7 38.6 58 60 A I H <>S+ 0 0 18 -4,-1.0 5,-1.3 2,-0.2 4,-0.3 0.831 113.2 41.6 -67.5 -41.4 29.2 -6.9 36.2 59 61 A A H ><5S+ 0 0 59 -4,-1.3 3,-1.9 2,-0.2 -2,-0.2 0.947 112.4 52.4 -70.6 -52.0 30.1 -9.2 33.3 60 62 A A H 3<5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.833 107.1 55.6 -51.0 -41.2 28.2 -12.1 34.7 61 63 A K T 3<5S- 0 0 117 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.620 100.3-140.0 -69.3 -21.3 25.2 -9.9 35.0 62 64 A K T < 5 - 0 0 184 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.905 32.0-167.7 57.1 47.9 25.5 -8.9 31.3 63 66 A M < - 0 0 74 -5,-1.3 -1,-0.1 1,-0.1 -5,-0.0 -0.275 17.6-111.7 -74.8 151.4 24.6 -5.2 31.9 64 67 A D - 0 0 92 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.057 11.0-137.3 -67.9 172.7 23.7 -2.6 29.4 65 68 A K + 0 0 165 2,-0.0 3,-0.1 3,-0.0 -1,-0.1 -0.122 51.1 147.7-129.0 31.1 25.9 0.5 28.6 66 69 A E - 0 0 126 1,-0.2 226,-0.0 226,-0.0 -2,-0.0 -0.308 57.9 -77.7 -70.8 153.4 23.1 3.0 28.5 67 70 A Y - 0 0 201 1,-0.1 -1,-0.2 -2,-0.1 3,-0.1 -0.169 44.0-135.7 -53.3 140.4 23.4 6.6 29.5 68 71 A L - 0 0 20 222,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.628 35.8 -86.8 -94.5 151.6 23.5 7.3 33.3 69 72 A P > - 0 0 85 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.143 48.2-100.8 -55.0 161.2 21.5 10.1 34.8 70 73 A I T 3 S+ 0 0 44 1,-0.3 3,-0.1 219,-0.1 -2,-0.1 0.834 123.0 52.2 -55.8 -34.6 23.4 13.4 34.6 71 74 A A T 3 S- 0 0 12 1,-0.3 30,-2.8 218,-0.1 -1,-0.3 0.477 112.3-112.2 -82.6 -7.1 24.2 13.0 38.3 72 75 A G < - 0 0 4 -3,-1.6 2,-0.5 28,-0.2 -1,-0.3 -0.439 57.2 -24.5 106.1-178.5 25.7 9.5 38.2 73 76 A L >> - 0 0 44 1,-0.2 4,-2.7 -2,-0.1 3,-0.7 -0.639 56.9-142.5 -72.0 120.1 24.8 6.0 39.5 74 77 A A H 3> S+ 0 0 57 -2,-0.5 4,-3.3 1,-0.3 5,-0.2 0.846 99.0 52.1 -48.9 -45.5 22.5 6.6 42.5 75 78 A D H 3> S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.820 112.8 43.6 -62.5 -37.2 23.9 3.7 44.4 76 79 A F H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.900 114.4 50.9 -71.5 -46.5 27.4 4.9 43.9 77 80 A T H X S+ 0 0 25 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.916 116.0 40.8 -54.3 -51.9 26.4 8.5 44.7 78 81 A R H X S+ 0 0 110 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.884 111.6 54.8 -68.7 -43.3 24.7 7.4 47.9 79 82 A A H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.718 110.1 49.8 -61.9 -28.6 27.4 4.9 48.9 80 83 A S H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.894 105.8 52.8 -72.6 -50.7 30.0 7.8 48.6 81 84 A A H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.948 113.6 47.1 -49.0 -55.1 28.1 10.3 50.7 82 85 A E H X S+ 0 0 55 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.809 108.4 52.3 -57.6 -42.9 27.9 7.6 53.3 83 86 A L H < S+ 0 0 3 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.870 117.7 40.2 -63.4 -39.9 31.6 6.7 53.0 84 87 A A H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.1 -3,-0.2 0.968 126.3 32.2 -70.3 -57.1 32.4 10.3 53.6 85 88 A L H < S- 0 0 1 -4,-3.1 -3,-0.2 -5,-0.2 4,-0.2 0.773 101.4-120.6 -73.7 -41.0 29.8 11.2 56.2 86 89 A G < - 0 0 5 -4,-3.1 3,-0.2 -5,-0.2 6,-0.2 0.034 23.9-100.9 104.5 145.8 29.3 7.9 58.3 87 90 A E S S+ 0 0 129 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.778 120.2 56.9 -73.9 -27.7 26.0 6.1 58.7 88 91 A N S S+ 0 0 139 4,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.779 82.0 118.3 -66.1 -36.5 25.3 7.6 62.1 89 92 A S > - 0 0 17 -4,-0.2 4,-2.1 -3,-0.2 5,-0.1 0.074 60.3-147.4 -37.0 133.0 25.6 11.1 60.8 90 93 A E H > S+ 0 0 122 2,-0.2 4,-3.2 3,-0.2 6,-0.3 0.881 99.5 59.3 -74.9 -39.2 22.6 13.5 61.0 91 94 A A H 4>S+ 0 0 2 1,-0.2 5,-1.6 2,-0.2 4,-0.4 0.919 114.8 36.2 -51.7 -48.0 23.6 15.2 57.8 92 95 A F H >45S+ 0 0 25 2,-0.2 3,-1.0 3,-0.2 -1,-0.2 0.918 117.2 51.3 -73.6 -45.5 23.4 11.9 56.0 93 96 A K H 3<5S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.829 112.6 48.0 -64.3 -29.2 20.4 10.7 58.0 94 97 A S T 3<5S- 0 0 50 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.511 105.8-127.5 -89.2 -8.6 18.5 13.9 57.2 95 98 A G T < 5 + 0 0 29 -3,-1.0 2,-0.2 -4,-0.4 -3,-0.2 0.726 60.7 144.4 68.3 22.9 19.3 13.8 53.5 96 99 A R < + 0 0 27 -5,-1.6 170,-2.8 -6,-0.3 2,-0.3 -0.083 48.8 83.4 -81.6 32.3 20.7 17.4 53.8 97 100 A Y E -C 265 0C 43 -2,-0.2 2,-0.4 168,-0.2 168,-0.2 -0.890 60.4-153.3-133.4 164.8 23.4 16.6 51.2 98 101 A V E -C 264 0C 6 166,-1.5 166,-3.1 -2,-0.3 2,-0.4 -0.988 14.9-176.3-141.6 120.3 23.8 16.5 47.4 99 102 A T E -C 263 0C 6 -2,-0.4 2,-0.4 164,-0.3 164,-0.2 -0.991 1.8-173.0-123.5 127.9 26.4 14.1 46.0 100 103 A V E -C 262 0C 0 162,-2.9 162,-3.1 -2,-0.4 -28,-0.2 -0.996 30.1-115.1-126.9 128.2 27.0 14.1 42.2 101 104 A Q E -C 261 0C 0 -30,-2.8 160,-0.3 -2,-0.4 2,-0.2 -0.405 42.8-173.2 -62.7 134.5 29.3 11.5 40.6 102 105 A G E -C 260 0C 0 158,-1.6 2,-2.5 144,-0.2 158,-1.0 -0.776 40.7 -84.6-127.0 171.2 32.3 13.4 39.0 103 106 A I S > S- 0 0 49 -2,-0.2 4,-2.1 156,-0.1 156,-0.2 -0.445 88.1 -71.7 -81.7 70.5 35.3 12.6 36.8 104 107 A S H > S- 0 0 0 -2,-2.5 4,-2.4 154,-0.3 156,-0.3 -0.174 84.8 -44.0 70.4-166.5 37.4 11.4 39.7 105 108 A G H > S+ 0 0 0 154,-0.3 4,-3.0 2,-0.2 5,-0.2 0.945 141.3 51.1 -58.7 -51.3 38.8 13.8 42.3 106 109 A T H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.905 112.0 44.9 -51.0 -56.0 39.9 16.3 39.6 107 110 A G H X S+ 0 0 15 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.842 115.8 47.5 -58.4 -41.1 36.5 16.4 37.8 108 111 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.932 110.3 52.0 -65.3 -46.2 34.6 16.7 41.1 109 112 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 -5,-0.3 -2,-0.2 0.882 114.3 45.2 -55.6 -41.8 37.0 19.4 42.3 110 113 A R H X S+ 0 0 83 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.913 109.3 51.2 -72.8 -46.3 36.3 21.2 39.0 111 114 A V H X S+ 0 0 2 -4,-3.0 4,-1.6 1,-0.3 -2,-0.2 0.887 113.6 50.7 -55.7 -36.6 32.5 20.8 39.0 112 115 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.3 0.841 108.7 46.9 -67.7 -40.2 32.8 22.2 42.5 113 116 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.792 113.3 50.4 -74.7 -30.3 34.8 25.2 41.5 114 117 A N H X S+ 0 0 32 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.788 109.8 50.1 -75.8 -31.1 32.5 25.9 38.6 115 118 A F H X S+ 0 0 21 -4,-1.6 4,-4.0 -5,-0.2 5,-0.4 0.908 113.1 47.7 -67.4 -49.9 29.5 25.7 41.0 116 119 A L H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.930 108.9 51.8 -58.2 -50.8 31.2 28.1 43.3 117 120 A Q H < S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 118.8 40.7 -55.2 -39.7 32.1 30.6 40.5 118 121 A R H < S+ 0 0 130 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.942 133.3 14.3 -77.0 -50.1 28.4 30.5 39.6 119 122 A F H < S+ 0 0 88 -4,-4.0 2,-1.6 1,-0.1 -3,-0.2 0.558 92.5 97.1-107.7 -12.0 26.7 30.5 43.0 120 123 A F >< + 0 0 28 -4,-2.8 3,-0.7 -5,-0.4 -1,-0.1 -0.686 46.1 172.5 -81.9 89.5 29.2 31.5 45.7 121 124 A K T 3 + 0 0 175 -2,-1.6 -1,-0.2 1,-0.2 3,-0.1 0.363 60.3 72.2 -77.0 -1.6 28.1 35.1 45.8 122 125 A F T 3 S- 0 0 110 1,-0.2 2,-0.3 53,-0.1 -1,-0.2 0.636 108.1 -14.0 -94.6 -11.2 30.2 36.1 48.8 123 126 A S < - 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