==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(AMINOTRANSFERASE) 28-FEB-94 1AKC . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR V.N.MALASHKEVICH,J.N.JANSONIUS . 401 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 74.3 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 . 26 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 40.1 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 1 2 0 0 2 1 2 1 2 1 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 0 156 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.2 49.9 31.9 8.8 2 4 A S > - 0 0 101 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.006 360.0 -65.4 -97.1-156.2 46.9 29.7 9.4 3 5 A W T 3 S+ 0 0 203 1,-0.2 3,-0.3 2,-0.1 4,-0.0 0.846 130.8 33.9 -69.9 -41.0 44.6 29.5 12.4 4 6 A W T 3 S+ 0 0 190 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 -0.008 75.4 113.0-111.2 31.3 47.1 28.2 14.9 5 7 A S S < S+ 0 0 75 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.875 83.8 50.6 -67.0 -32.6 50.3 29.8 13.8 6 8 A H S S+ 0 0 138 -3,-0.3 2,-0.5 -4,-0.2 -1,-0.2 0.636 80.5 107.2 -77.7 -22.8 50.2 31.8 17.0 7 9 A V - 0 0 91 -3,-0.5 2,-0.1 1,-0.1 3,-0.1 -0.544 63.3-142.8 -66.5 115.4 49.7 28.9 19.5 8 10 A E - 0 0 175 -2,-0.5 2,-0.6 1,-0.1 -1,-0.1 -0.263 23.6 -89.6 -82.3 162.0 52.9 28.3 21.4 9 11 A M - 0 0 185 -2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.663 45.8-152.2 -68.8 111.1 54.6 25.2 22.7 10 12 A G - 0 0 47 -2,-0.6 -3,-0.0 1,-0.1 -1,-0.0 -0.549 20.4-109.2 -83.4 157.7 53.1 24.7 26.2 11 13 A P - 0 0 122 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.338 36.5 -90.2 -81.0 164.0 55.3 22.9 28.7 12 14 A P - 0 0 92 0, 0.0 6,-0.0 0, 0.0 0, 0.0 -0.487 52.6 -88.1 -77.7 143.5 54.8 19.3 30.0 13 15 A D > - 0 0 69 -2,-0.2 4,-1.8 1,-0.2 5,-0.3 -0.239 32.9-129.8 -52.8 128.5 52.7 18.8 33.1 14 16 A P T 4 S+ 0 0 100 0, 0.0 361,-0.4 0, 0.0 -1,-0.2 0.748 103.6 20.7 -52.7 -29.4 54.9 19.1 36.2 15 17 A I T >> S+ 0 0 21 359,-0.1 3,-1.7 2,-0.1 4,-0.7 0.794 128.8 42.2-106.1 -58.2 53.5 15.8 37.5 16 18 A L H >> S+ 0 0 108 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.813 106.9 65.2 -62.8 -28.5 52.0 13.9 34.6 17 19 A G H 3X S+ 0 0 10 -4,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.718 89.1 67.3 -66.2 -21.6 54.9 14.8 32.4 18 20 A V H <> S+ 0 0 17 -3,-1.7 4,-3.0 -5,-0.3 -1,-0.2 0.880 99.7 49.8 -67.6 -37.7 57.3 12.7 34.6 19 21 A T H < S+ 0 0 35 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.934 100.7 61.2 -58.5 -44.5 60.0 8.1 32.4 23 25 A K H 3< S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 104.2 50.2 -52.9 -41.2 58.3 6.1 29.6 24 26 A R H 3< S+ 0 0 181 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.643 82.7 104.4 -72.1 -22.4 61.1 7.0 27.2 25 27 A D << - 0 0 34 -3,-1.1 5,-0.0 -4,-0.9 -3,-0.0 -0.338 54.2-158.2 -64.5 146.8 64.2 6.1 29.3 26 28 A T + 0 0 140 3,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.358 52.4 122.9-105.8 -2.9 65.9 2.8 28.3 27 29 A N > - 0 0 42 1,-0.2 3,-1.6 2,-0.1 -2,-0.1 -0.556 56.0-150.0 -61.4 120.6 67.6 2.2 31.6 28 30 A S T 3 S+ 0 0 115 -2,-0.4 -1,-0.2 1,-0.3 342,-0.0 0.656 95.7 54.5 -66.9 -19.5 66.3 -1.2 32.8 29 31 A K T 3 S+ 0 0 128 2,-0.1 -1,-0.3 362,-0.0 -2,-0.1 0.275 81.0 138.0 -94.9 6.9 66.6 -0.1 36.5 30 32 A K < - 0 0 58 -3,-1.6 2,-0.4 341,-0.1 341,-0.2 -0.106 35.7-160.8 -58.7 150.8 64.4 3.0 36.0 31 33 A M E -a 371 0A 10 339,-2.0 341,-3.2 338,-0.1 2,-0.9 -0.995 13.1-147.1-139.4 129.0 61.8 3.9 38.6 32 34 A N E +a 372 0A 35 -2,-0.4 341,-0.2 351,-0.2 339,-0.1 -0.857 32.6 155.9-103.8 94.1 58.8 6.2 38.2 33 35 A L + 0 0 0 339,-2.9 347,-1.0 -2,-0.9 341,-0.4 -0.126 48.2 92.7-106.1 27.8 58.4 7.8 41.5 34 36 A G S S+ 0 0 0 339,-0.2 340,-0.2 345,-0.2 -18,-0.1 0.934 76.1 41.7 -90.5 -76.6 56.5 10.8 40.1 35 37 A V S S- 0 0 36 -20,-0.2 2,-1.5 1,-0.1 345,-0.1 -0.385 92.5-106.2 -72.0 152.9 52.7 10.3 40.2 36 38 A G + 0 0 5 346,-0.1 2,-0.4 343,-0.1 -1,-0.1 -0.666 62.8 148.5 -79.2 89.7 51.2 8.7 43.2 37 39 A A - 0 0 16 -2,-1.5 2,-0.2 314,-0.1 213,-0.1 -0.989 46.9-120.3-131.7 128.1 50.4 5.3 41.9 38 40 A Y - 0 0 16 -2,-0.4 8,-0.7 8,-0.1 2,-0.3 -0.485 27.7-171.7 -70.5 133.8 50.4 2.2 43.9 39 41 A R B -B 45 0B 64 343,-1.5 345,-0.1 -2,-0.2 2,-0.1 -0.914 21.9-122.7-120.0 146.9 52.8 -0.5 42.9 40 42 A D > - 0 0 36 4,-2.9 3,-3.2 -2,-0.3 4,-0.2 -0.254 44.8 -83.1 -81.6 176.7 52.8 -4.0 44.4 41 43 A D T 3 S+ 0 0 64 1,-0.3 345,-0.5 2,-0.2 346,-0.5 0.531 132.6 55.6 -63.3 -2.4 56.0 -5.5 46.1 42 44 A N T 3 S- 0 0 124 2,-0.2 -1,-0.3 343,-0.1 343,-0.1 0.465 122.0-108.6-101.7 -11.8 57.2 -6.6 42.7 43 45 A G S < S+ 0 0 28 -3,-3.2 -2,-0.2 1,-0.3 342,-0.1 0.677 76.1 132.6 85.1 28.4 56.9 -3.0 41.4 44 46 A K - 0 0 128 -4,-0.2 -4,-2.9 1,-0.1 -1,-0.3 -0.828 68.3 -90.5-113.1 148.8 53.9 -3.7 39.2 45 47 A P B -B 39 0B 88 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.322 46.8-148.0 -52.7 140.0 50.6 -2.0 38.8 46 48 A Y - 0 0 65 -8,-0.7 2,-0.6 -3,-0.0 -8,-0.1 -0.985 16.2-169.9-128.3 120.8 48.1 -3.6 41.2 47 49 A V - 0 0 53 -2,-0.4 206,-0.1 207,-0.1 207,-0.1 -0.952 37.0-111.2-105.3 116.8 44.4 -4.0 40.6 48 50 A L >> - 0 0 1 -2,-0.6 4,-3.6 204,-0.4 3,-0.5 -0.212 12.0-124.3 -60.7 146.8 42.7 -5.0 43.8 49 51 A N H 3> S+ 0 0 82 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.840 114.4 50.8 -50.2 -46.0 41.2 -8.5 44.2 50 52 A C H 3> S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.812 108.6 51.7 -70.6 -29.6 37.9 -6.9 45.0 51 53 A V H <> S+ 0 0 4 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.975 109.2 51.1 -69.1 -49.2 38.1 -4.8 42.0 52 54 A R H X S+ 0 0 143 -4,-3.6 4,-1.2 1,-0.2 -2,-0.2 0.837 114.1 43.1 -51.0 -45.0 38.8 -7.9 40.0 53 55 A K H X S+ 0 0 97 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.840 109.3 57.2 -70.6 -36.8 35.7 -9.7 41.5 54 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.2 0.971 108.3 48.0 -52.9 -55.1 33.5 -6.5 41.1 55 57 A E H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.864 109.5 52.6 -55.0 -41.0 34.2 -6.6 37.3 56 58 A A H X S+ 0 0 60 -4,-1.2 4,-2.6 -5,-0.3 -1,-0.2 0.857 107.5 51.7 -65.7 -38.1 33.4 -10.3 37.1 57 59 A M H X S+ 0 0 74 -4,-2.1 4,-1.8 -3,-0.2 -2,-0.2 0.979 111.4 47.8 -61.5 -52.9 30.1 -9.7 38.8 58 60 A I H X>S+ 0 0 19 -4,-2.7 5,-1.2 2,-0.2 4,-0.5 0.858 112.2 49.3 -53.5 -45.1 29.4 -7.0 36.2 59 61 A A H ><5S+ 0 0 57 -4,-2.4 3,-3.1 1,-0.2 -1,-0.2 0.995 109.2 51.7 -57.4 -60.8 30.5 -9.3 33.4 60 62 A A H 3<5S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.745 105.3 55.7 -45.7 -39.6 28.3 -12.1 34.5 61 63 A K H 3<5S- 0 0 121 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.553 99.6-136.4 -76.0 -11.8 25.2 -9.9 34.7 62 64 A K T <<5 - 0 0 182 -3,-3.1 -3,-0.2 -4,-0.5 -2,-0.1 0.957 32.2-162.4 53.2 55.1 25.6 -8.9 31.1 63 66 A M < - 0 0 78 -5,-1.2 -1,-0.1 -4,-0.1 -5,-0.0 -0.302 12.0-121.9 -71.4 152.7 24.9 -5.3 31.9 64 67 A D - 0 0 94 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.108 8.4-137.1 -76.0-174.6 23.9 -2.7 29.4 65 68 A K + 0 0 159 2,-0.0 3,-0.1 3,-0.0 227,-0.1 -0.095 45.7 150.9-136.7 30.2 25.8 0.5 28.7 66 69 A E - 0 0 132 1,-0.1 2,-0.1 0, 0.0 -2,-0.0 -0.220 59.4 -79.7 -61.7 160.4 22.9 2.9 28.5 67 70 A Y - 0 0 204 1,-0.1 -1,-0.1 224,-0.0 3,-0.1 -0.412 43.4-132.2 -63.1 141.6 23.6 6.5 29.5 68 71 A L - 0 0 20 222,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.517 37.4 -87.2 -89.6 155.1 23.6 7.2 33.3 69 72 A P > - 0 0 88 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.196 46.8-100.7 -58.1 160.6 21.6 10.2 34.6 70 73 A I T 3 S+ 0 0 47 1,-0.3 3,-0.1 219,-0.2 -2,-0.1 0.800 123.5 52.9 -55.4 -33.6 23.7 13.5 34.6 71 74 A A T 3 S- 0 0 13 1,-0.3 30,-3.4 29,-0.1 -1,-0.3 0.546 111.9-121.9 -83.5 -7.1 24.3 13.1 38.3 72 75 A G < - 0 0 6 -3,-2.1 2,-0.6 28,-0.2 -1,-0.3 -0.479 53.9 -14.5 104.9-175.6 25.7 9.6 38.1 73 76 A L >> - 0 0 41 1,-0.2 4,-3.0 -2,-0.2 3,-1.2 -0.599 55.2-147.3 -70.8 113.4 24.9 6.1 39.5 74 77 A A H 3> S+ 0 0 62 -2,-0.6 4,-3.6 1,-0.3 5,-0.3 0.892 98.3 50.5 -44.0 -50.1 22.5 6.7 42.4 75 78 A D H 3> S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.786 115.0 42.5 -58.5 -38.6 23.9 3.7 44.3 76 79 A F H <> S+ 0 0 0 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.805 114.2 51.5 -82.4 -34.6 27.5 5.0 43.8 77 80 A T H X S+ 0 0 25 -4,-3.0 4,-2.2 2,-0.2 3,-0.3 0.960 114.3 42.8 -65.6 -52.9 26.5 8.6 44.6 78 81 A R H X S+ 0 0 92 -4,-3.6 4,-2.6 1,-0.2 -2,-0.2 0.907 113.9 50.6 -60.6 -45.4 24.8 7.6 47.8 79 82 A A H X S+ 0 0 1 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.779 110.2 51.1 -66.9 -28.3 27.6 5.1 48.9 80 83 A S H X S+ 0 0 0 -4,-1.6 4,-1.7 -3,-0.3 -1,-0.2 0.896 110.3 47.8 -72.8 -43.4 30.2 7.8 48.3 81 84 A A H >X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 3,-0.7 0.969 114.0 49.0 -54.2 -55.2 28.3 10.3 50.4 82 85 A E H 3X S+ 0 0 49 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.800 106.6 55.1 -53.4 -40.9 28.0 7.6 53.0 83 86 A L H 3< S+ 0 0 5 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.768 116.8 36.7 -66.0 -33.8 31.8 6.8 52.8 84 87 A A H << S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.930 124.2 38.0 -84.4 -52.3 32.7 10.3 53.6 85 88 A L H < S- 0 0 5 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.764 106.2-123.7 -69.1 -35.5 30.0 11.3 56.1 86 89 A G >< - 0 0 3 -4,-2.1 3,-0.7 -5,-0.3 6,-0.2 0.181 25.5 -91.5 93.6 148.8 29.8 8.0 57.9 87 90 A E T 3 S+ 0 0 136 1,-0.2 -1,-0.1 5,-0.1 6,-0.1 0.738 123.2 52.5 -61.0 -31.8 26.5 6.0 58.3 88 91 A N T 3 S+ 0 0 134 -6,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.707 80.8 126.8 -77.5 -25.6 25.5 7.6 61.6 89 92 A S <> - 0 0 16 -3,-0.7 4,-2.5 -4,-0.2 5,-0.2 0.059 58.1-143.7 -35.2 133.3 25.9 11.2 60.4 90 93 A E H > S+ 0 0 118 2,-0.2 4,-3.1 1,-0.2 6,-0.2 0.922 101.3 57.0 -69.0 -42.9 22.9 13.6 60.8 91 94 A A H >>S+ 0 0 1 2,-0.2 5,-1.8 1,-0.2 4,-0.7 0.928 113.9 38.7 -51.9 -51.5 23.7 15.3 57.4 92 95 A F H >45S+ 0 0 23 -6,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.991 116.3 49.9 -64.5 -58.5 23.5 11.9 55.6 93 96 A K H 3<5S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.871 116.1 43.9 -47.1 -46.6 20.5 10.6 57.7 94 97 A S H 3<5S- 0 0 51 -4,-3.1 -1,-0.3 -5,-0.2 175,-0.3 0.528 107.3-126.4 -78.6 -12.5 18.6 13.8 57.0 95 98 A G T <<5 + 0 0 24 -3,-1.9 -3,-0.2 -4,-0.7 -4,-0.1 0.775 60.6 142.9 67.8 31.1 19.5 14.1 53.3 96 99 A R < + 0 0 28 -5,-1.8 170,-4.1 -6,-0.2 2,-0.3 0.094 52.8 83.7 -85.0 18.3 21.0 17.6 53.6 97 100 A Y E -C 265 0C 40 -6,-0.3 2,-0.4 168,-0.3 168,-0.2 -0.917 60.3-156.9-125.9 157.3 23.7 16.6 51.0 98 101 A V E -C 264 0C 7 166,-2.0 166,-3.0 -2,-0.3 2,-0.4 -0.997 13.0-175.4-138.3 125.2 24.0 16.4 47.3 99 102 A T E -C 263 0C 7 -2,-0.4 2,-0.4 164,-0.2 164,-0.2 -0.991 2.3-170.7-120.7 131.1 26.6 14.1 45.9 100 103 A V E -C 262 0C 0 162,-2.7 162,-2.4 -2,-0.4 -28,-0.2 -0.981 31.2-111.2-128.9 136.2 27.2 14.0 42.1 101 104 A Q E -C 261 0C 0 -30,-3.4 160,-0.3 -2,-0.4 2,-0.3 -0.515 44.2-170.8 -62.1 137.3 29.3 11.4 40.3 102 105 A G E -C 260 0C 0 158,-2.0 2,-2.2 144,-0.2 158,-0.7 -0.814 38.1 -93.5-127.3 164.9 32.4 13.4 39.0 103 106 A I S > S- 0 0 50 -2,-0.3 4,-1.9 156,-0.1 156,-0.2 -0.518 84.9 -68.9 -78.4 73.0 35.2 12.4 36.7 104 107 A S H > S- 0 0 3 -2,-2.2 4,-2.7 154,-0.3 156,-0.2 -0.121 84.7 -45.9 67.6-166.6 37.5 11.4 39.5 105 108 A G H > S+ 0 0 7 154,-0.3 4,-3.0 2,-0.2 5,-0.3 0.981 142.8 47.5 -62.7 -54.4 39.0 13.9 42.0 106 109 A T H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.854 113.0 48.9 -54.0 -44.7 40.0 16.3 39.4 107 110 A G H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.858 114.4 46.2 -61.5 -45.1 36.6 16.1 37.7 108 111 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.915 111.5 51.1 -63.6 -46.8 34.8 16.6 41.0 109 112 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.881 111.6 46.8 -55.9 -46.9 37.1 19.6 42.0 110 113 A R H X S+ 0 0 86 -4,-2.0 4,-3.3 -5,-0.3 5,-0.3 0.946 109.0 54.8 -70.2 -41.6 36.5 21.4 38.8 111 114 A V H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.886 113.6 42.7 -57.1 -41.2 32.7 20.8 39.0 112 115 A G H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.887 112.2 52.7 -67.4 -45.0 32.7 22.4 42.5 113 116 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.945 113.6 44.6 -55.9 -48.7 35.1 25.2 41.3 114 117 A N H X S+ 0 0 28 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.859 112.2 52.1 -64.3 -40.9 32.6 25.9 38.5 115 118 A F H X S+ 0 0 19 -4,-1.9 4,-3.2 -5,-0.3 5,-0.3 0.931 112.5 44.8 -62.6 -49.5 29.6 25.6 40.8 116 119 A L H X S+ 0 0 6 -4,-3.4 4,-3.1 2,-0.2 -2,-0.2 0.942 108.1 57.4 -61.4 -46.0 31.2 28.1 43.2 117 120 A Q H < S+ 0 0 79 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.919 117.7 36.0 -48.5 -48.3 32.2 30.5 40.4 118 121 A R H < S+ 0 0 124 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.810 133.9 19.6 -77.6 -39.3 28.6 30.5 39.5 119 122 A F H < S+ 0 0 82 -4,-3.2 2,-1.5 1,-0.1 -3,-0.2 0.553 92.2 93.2-113.2 -12.1 26.8 30.4 42.9 120 123 A F >< + 0 0 26 -4,-3.1 3,-1.1 -5,-0.3 -1,-0.1 -0.694 45.9 172.5 -84.8 84.5 29.2 31.5 45.6 121 124 A K T 3 + 0 0 181 -2,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.572 63.2 72.9 -69.5 -13.4 28.3 35.2 45.6 122 125 A F T 3 S- 0 0 101 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.674 106.6 -11.4 -77.5 -21.3 30.4 36.0 48.7 123 126 A S < - 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