==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUL-02 1H1C . COMPND 2 MOLECULE: HISTIDINOL-PHOSPHATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.C.VEGA,F.J.FERNANDEZ,M.WILMANNS . 1282 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 917 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 112 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 398 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 0 2 9 10 7 6 0 1 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 6 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 0 PARALLEL BRIDGES PER LADDER . 2 4 3 5 5 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 3 0 0 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 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 6 A L 0 0 166 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.2 -8.9 37.6 -18.5 2 7 A I + 0 0 97 2,-0.0 2,-0.3 404,-0.0 531,-0.0 -0.682 360.0 168.8-137.9 80.1 -5.9 35.9 -16.7 3 8 A A - 0 0 94 -2,-0.2 2,-0.3 530,-0.0 526,-0.0 -0.743 18.8-150.0 -93.6 140.4 -7.0 34.4 -13.4 4 9 A K - 0 0 46 -2,-0.3 -2,-0.0 1,-0.1 532,-0.0 -0.861 19.6-151.4-117.2 149.4 -4.6 32.2 -11.5 5 10 A R + 0 0 223 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.671 59.4 122.4 -86.1 -23.3 -5.1 29.2 -9.2 6 11 A A S S- 0 0 22 1,-0.1 -2,-0.1 103,-0.1 530,-0.1 0.114 79.3 -77.9 -37.3 153.7 -1.8 29.9 -7.3 7 12 A Y - 0 0 137 1,-0.1 -1,-0.1 529,-0.1 -2,-0.0 -0.362 54.5-110.0 -63.1 134.4 -2.1 30.4 -3.6 8 13 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.096 32.1-102.5 -60.8 160.8 -3.3 33.9 -2.6 9 14 A Y + 0 0 57 523,-0.3 2,-0.2 2,-0.0 527,-0.1 -0.700 51.7 156.6 -88.4 138.1 -1.0 36.5 -1.0 10 15 A E - 0 0 78 -2,-0.4 2,-0.4 525,-0.1 658,-0.1 -0.837 38.3-117.2-146.2-178.9 -1.3 37.0 2.8 11 16 A T - 0 0 60 -2,-0.2 3,-0.0 656,-0.2 354,-0.0 -0.972 38.5-105.9-133.9 117.8 0.6 38.2 5.8 12 17 A E - 0 0 80 -2,-0.4 2,-0.8 1,-0.1 353,-0.1 -0.089 28.4-131.5 -39.9 124.7 1.4 35.9 8.7 13 18 A K - 0 0 74 1,-0.0 2,-0.6 0, 0.0 -1,-0.1 -0.779 26.8-143.5 -84.3 112.5 -0.8 36.7 11.7 14 19 A R - 0 0 84 -2,-0.8 4,-0.1 4,-0.1 -1,-0.0 -0.720 11.1-149.5 -88.8 116.3 1.8 36.8 14.5 15 20 A D - 0 0 46 -2,-0.6 3,-0.3 2,-0.2 285,-0.1 -0.033 38.0 -89.4 -71.3 176.9 0.7 35.5 17.9 16 21 A K S S+ 0 0 187 1,-0.3 2,-0.4 284,-0.0 284,-0.1 0.809 126.1 26.4 -59.4 -29.6 1.9 36.7 21.3 17 22 A T S S- 0 0 23 282,-0.4 284,-3.0 297,-0.0 2,-0.5 -0.923 81.7-167.9-139.1 107.7 4.6 34.1 20.9 18 23 A Y E +a 301 0A 25 -2,-0.4 284,-0.1 -3,-0.3 5,-0.1 -0.869 24.6 155.5-104.1 121.4 5.6 33.1 17.3 19 24 A L E +a 302 0A 3 282,-2.9 293,-1.3 -2,-0.5 284,-0.8 -0.093 50.8 96.7-132.8 34.1 7.8 30.1 16.6 20 25 A A S S+ 0 0 2 282,-0.3 282,-0.1 291,-0.1 -1,-0.1 0.489 78.1 44.9-106.0 -6.3 6.6 29.5 13.0 21 26 A L S S- 0 0 39 2,-0.1 -1,-0.1 -3,-0.1 290,-0.1 0.224 97.0-113.6-127.3 20.2 9.2 31.1 10.8 22 27 A N + 0 0 0 1,-0.2 2,-0.3 -3,-0.1 255,-0.1 0.900 56.7 165.3 50.3 45.6 12.7 30.3 12.0 23 28 A E - 0 0 9 -5,-0.1 -1,-0.2 1,-0.1 339,-0.1 -0.728 47.0-101.7 -93.7 142.9 13.4 33.9 13.0 24 29 A N - 0 0 0 337,-0.5 290,-0.1 172,-0.5 174,-0.1 -0.419 28.4-138.3 -59.3 133.6 16.3 34.7 15.3 25 30 A P S S+ 0 0 6 0, 0.0 290,-0.2 0, 0.0 -1,-0.1 0.825 80.9 71.5 -65.4 -32.0 14.8 35.3 18.8 26 31 A F S S- 0 0 48 1,-0.1 -2,-0.1 288,-0.1 223,-0.0 -0.686 83.6-119.0 -94.6 138.2 17.0 38.3 19.4 27 32 A P - 0 0 40 0, 0.0 331,-0.2 0, 0.0 -1,-0.1 -0.030 46.9 -78.7 -61.8 170.6 16.7 41.8 17.8 28 33 A F - 0 0 0 329,-1.5 5,-0.1 172,-0.1 332,-0.1 -0.601 66.1 -87.5 -74.4 129.7 19.6 43.3 15.7 29 34 A P > - 0 0 14 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 -0.089 33.0-142.3 -39.3 123.3 22.2 44.6 18.1 30 35 A E H > S+ 0 0 144 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.868 100.8 56.7 -58.8 -36.0 21.1 48.2 18.9 31 36 A D H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.927 105.4 48.3 -62.7 -47.2 24.7 49.1 18.9 32 37 A L H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.888 103.8 61.9 -63.0 -36.1 25.3 47.9 15.4 33 38 A V H X S+ 0 0 5 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.899 107.3 45.3 -54.8 -41.4 22.2 49.7 14.2 34 39 A D H X S+ 0 0 79 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.936 108.4 54.7 -65.6 -50.1 23.9 52.9 15.2 35 40 A E H X S+ 0 0 54 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.894 106.2 56.2 -50.4 -41.3 27.1 51.9 13.6 36 41 A V H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.7 0.943 110.2 40.3 -58.0 -53.9 25.1 51.4 10.4 37 42 A F H 3< S+ 0 0 26 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.732 107.9 63.6 -71.2 -19.0 23.6 54.9 10.3 38 43 A R H 3< S+ 0 0 185 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.800 110.8 38.0 -72.4 -29.2 27.0 56.4 11.3 39 44 A R H << S+ 0 0 66 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.703 91.4 118.1 -90.1 -25.0 28.4 55.0 8.1 40 45 A L < - 0 0 15 -4,-1.5 2,-0.8 -5,-0.2 3,-0.1 -0.183 59.9-143.9 -48.0 121.7 25.3 55.9 6.2 41 46 A N >> - 0 0 81 1,-0.2 3,-1.9 2,-0.0 4,-0.9 -0.826 4.5-155.5 -99.2 105.1 26.1 58.4 3.5 42 47 A S G >4 S+ 0 0 17 -2,-0.8 301,-1.5 1,-0.3 3,-0.9 0.867 94.5 50.7 -39.4 -55.4 23.4 60.9 3.0 43 48 A D G 34 S+ 0 0 67 299,-0.2 -1,-0.3 1,-0.2 472,-0.0 -0.015 101.4 65.0 -80.2 33.8 24.4 61.7 -0.6 44 49 A A G X4 S+ 0 0 9 -3,-1.9 3,-2.0 -2,-0.6 -1,-0.2 0.587 82.9 70.2-120.4 -30.1 24.5 58.0 -1.5 45 50 A L T << S+ 0 0 0 -3,-0.9 473,-2.1 -4,-0.9 474,-0.5 0.725 94.5 62.4 -59.8 -20.0 20.8 57.3 -1.1 46 51 A R T 3 S+ 0 0 35 -4,-0.3 293,-0.3 470,-0.2 2,-0.3 0.475 96.9 66.3 -86.7 -4.8 20.4 59.4 -4.2 47 52 A I S < S- 0 0 49 -3,-2.0 2,-1.3 468,-0.2 -3,-0.0 -0.822 91.8-100.8-119.8 159.6 22.4 57.2 -6.6 48 53 A Y - 0 0 29 -2,-0.3 470,-0.2 470,-0.1 2,-0.1 -0.653 49.3-152.4 -77.3 97.8 22.0 53.7 -8.1 49 54 A Y - 0 0 40 -2,-1.3 179,-0.2 -5,-0.1 2,-0.1 -0.455 24.3 -96.4 -75.7 145.9 24.4 51.9 -5.8 50 55 A D - 0 0 105 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.403 31.4-148.9 -60.1 131.8 26.2 48.8 -6.9 51 56 A S S S+ 0 0 3 174,-0.4 2,-2.1 1,-0.3 -1,-0.2 0.978 94.3 48.7 -71.1 -72.7 24.2 45.9 -5.7 52 57 A P S S- 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.456 97.0-151.1 -68.7 95.7 27.0 43.5 -5.2 53 58 A D > - 0 0 11 -2,-2.1 4,-2.1 -3,-0.2 5,-0.2 -0.347 13.7-125.9 -61.1 143.8 29.0 46.1 -3.3 54 59 A E H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.953 109.5 40.6 -61.4 -48.6 32.8 45.7 -3.7 55 60 A E H > S+ 0 0 67 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.833 111.1 57.3 -69.9 -30.8 33.5 45.7 0.0 56 61 A L H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.931 107.7 48.2 -63.5 -46.1 30.4 43.5 0.8 57 62 A I H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.975 112.9 48.6 -54.9 -54.7 31.7 40.8 -1.5 58 63 A E H X S+ 0 0 115 -4,-2.0 4,-2.5 1,-0.3 -2,-0.2 0.887 110.2 51.0 -52.7 -43.6 35.1 41.1 0.1 59 64 A K H X S+ 0 0 56 -4,-2.9 4,-1.4 1,-0.2 -1,-0.3 0.880 109.1 52.7 -61.4 -39.6 33.4 40.9 3.5 60 65 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 -3,-0.3 5,-0.2 0.904 107.7 49.2 -63.1 -46.3 31.7 37.7 2.3 61 66 A L H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.981 108.7 53.8 -56.8 -52.5 34.9 36.1 1.2 62 67 A S H < S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 111.7 47.3 -48.8 -34.8 36.4 36.9 4.6 63 68 A Y H < S+ 0 0 25 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.874 108.7 50.3 -76.4 -42.1 33.4 35.2 6.1 64 69 A L H < S- 0 0 24 -4,-2.6 -2,-0.2 -3,-0.2 -1,-0.2 0.779 96.6-154.0 -67.6 -24.7 33.6 32.1 3.9 65 70 A D < + 0 0 137 -4,-2.4 2,-0.2 -5,-0.2 -3,-0.1 0.931 40.5 125.0 49.3 65.8 37.3 31.9 4.8 66 71 A T - 0 0 52 -5,-0.3 -1,-0.2 3,-0.1 -2,-0.0 -0.733 58.5-135.2-134.6-176.0 38.9 30.1 2.0 67 72 A D S S+ 0 0 167 -2,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.653 98.1 51.8-113.2 -33.6 41.7 30.5 -0.5 68 73 A F S S+ 0 0 69 2,-0.0 2,-0.3 113,-0.0 113,-0.0 0.757 86.7 90.3 -81.3 -23.6 40.1 29.4 -3.8 69 74 A L + 0 0 12 -8,-0.1 2,-0.2 2,-0.1 -3,-0.1 -0.566 56.4 175.3 -76.6 131.8 37.0 31.6 -3.6 70 75 A S > - 0 0 44 -2,-0.3 3,-2.5 -9,-0.0 4,-0.3 -0.733 50.3 -83.8-125.6 179.1 37.4 35.0 -5.3 71 76 A K T 3 S+ 0 0 128 1,-0.3 3,-0.5 -2,-0.2 -2,-0.1 0.637 125.2 61.7 -60.0 -13.4 35.3 38.0 -6.1 72 77 A N T 3 S+ 0 0 86 1,-0.2 -1,-0.3 3,-0.0 145,-0.3 0.461 97.4 57.3 -93.9 2.1 34.2 36.2 -9.2 73 78 A N S < S+ 0 0 15 -3,-2.5 138,-2.3 143,-0.1 2,-0.4 0.327 98.7 77.0-107.0 2.0 32.6 33.4 -7.3 74 79 A V E +B 210 0B 6 -3,-0.5 2,-0.3 -4,-0.3 136,-0.2 -0.941 44.6 151.7-127.0 135.7 30.3 35.6 -5.2 75 80 A S E -B 209 0B 0 134,-2.0 134,-2.2 -2,-0.4 2,-0.3 -0.925 26.4-132.2-145.3 172.2 27.0 37.5 -5.8 76 81 A V E -B 208 0B 3 -2,-0.3 2,-0.3 132,-0.3 132,-0.3 -0.772 12.7-162.0-126.3 168.8 24.1 38.7 -3.7 77 82 A G E -B 207 0B 0 130,-3.3 2,-3.4 -2,-0.3 130,-2.6 -0.990 41.3 -92.7-150.5 157.8 20.3 38.7 -3.9 78 83 A N S > S- 0 0 7 -2,-0.3 4,-0.8 128,-0.2 128,-0.2 -0.355 106.3 -36.3 -68.4 68.2 17.2 40.4 -2.4 79 84 A G H > S- 0 0 0 -2,-3.4 4,-1.2 126,-0.2 3,-0.3 -0.026 81.3 -81.0 91.0 157.5 17.1 37.7 0.3 80 85 A A H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 131.7 67.4 -60.1 -29.9 18.0 34.1 -0.4 81 86 A D H > S+ 0 0 10 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.940 95.2 50.9 -55.1 -50.1 14.4 34.0 -1.7 82 87 A E H X S+ 0 0 2 -4,-0.8 4,-2.8 -3,-0.3 5,-0.3 0.871 108.1 54.3 -59.0 -34.2 15.3 36.2 -4.7 83 88 A I H X S+ 0 0 1 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.981 111.2 44.0 -62.1 -53.4 18.2 34.0 -5.5 84 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.927 114.0 53.8 -52.1 -49.3 15.9 30.9 -5.6 85 90 A Y H X S+ 0 0 2 -4,-3.2 4,-0.7 1,-0.2 3,-0.5 0.975 114.1 36.2 -52.8 -66.6 13.4 33.0 -7.5 86 91 A V H >X S+ 0 0 1 -4,-2.8 3,-0.6 1,-0.2 4,-0.6 0.793 110.4 63.6 -63.2 -27.3 15.7 34.1 -10.3 87 92 A X H >X S+ 0 0 0 -4,-2.6 3,-2.0 -5,-0.3 4,-1.1 0.932 97.0 56.7 -60.8 -45.1 17.6 30.8 -10.4 88 93 A X H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 -3,-0.5 26,-0.2 0.752 100.3 59.1 -57.9 -24.3 14.4 29.0 -11.4 89 94 A L H << S+ 0 0 35 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.718 103.7 55.3 -76.7 -18.6 14.2 31.3 -14.4 90 95 A X H << S+ 0 0 50 -3,-2.0 2,-0.3 -4,-0.6 -2,-0.2 0.846 99.9 59.9 -84.2 -34.9 17.6 30.0 -15.5 91 96 A F S < S- 0 0 34 -4,-1.1 23,-0.3 1,-0.1 44,-0.2 -0.702 73.7-131.8-101.4 149.4 17.1 26.3 -15.6 92 97 A D S S+ 0 0 109 42,-1.2 22,-0.8 -2,-0.3 2,-0.4 0.921 94.3 19.0 -60.9 -45.7 14.7 24.2 -17.7 93 98 A R E -cd 114 135B 34 41,-1.3 43,-3.1 20,-0.1 2,-0.5 -0.987 67.0-149.3-134.9 135.8 13.5 22.2 -14.8 94 99 A S E -cd 115 136B 0 20,-3.5 22,-1.7 -2,-0.4 2,-0.5 -0.862 16.4-164.0-102.0 133.8 13.6 22.7 -11.0 95 100 A V E +cd 116 137B 2 41,-3.0 43,-1.9 -2,-0.5 2,-0.3 -0.973 16.4 157.7-123.6 124.6 13.8 19.7 -8.8 96 101 A F E -c 117 0B 0 20,-1.4 22,-2.0 -2,-0.5 43,-0.1 -0.860 30.5-128.8-135.7 171.4 13.2 19.5 -5.1 97 102 A F - 0 0 5 41,-0.5 23,-0.1 -2,-0.3 20,-0.1 -0.793 33.1-107.1-132.5 99.1 12.2 16.9 -2.5 98 103 A P S S+ 0 0 37 0, 0.0 22,-2.0 0, 0.0 3,-0.0 -0.275 103.3 55.9 -59.6 145.9 9.4 17.2 -0.0 99 104 A P S S+ 0 0 38 0, 0.0 47,-0.3 0, 0.0 2,-0.2 0.281 97.8 117.4 -75.6 123.6 9.4 17.7 2.8 100 105 A T S S- 0 0 14 43,-0.1 2,-0.5 45,-0.1 39,-0.1 -0.757 74.7 -39.8-141.5-172.5 11.4 20.8 1.8 101 106 A Y > - 0 0 32 -2,-0.2 3,-2.1 1,-0.2 4,-0.5 -0.392 55.4-145.8 -56.3 107.3 11.5 24.5 1.7 102 107 A S T 3> S+ 0 0 69 -2,-0.5 4,-1.6 1,-0.3 -1,-0.2 0.680 91.4 66.4 -51.9 -25.2 7.8 25.2 0.9 103 108 A C H 3> S+ 0 0 26 2,-0.2 4,-4.4 1,-0.2 5,-0.4 0.741 85.5 72.1 -71.5 -22.3 8.5 28.3 -1.1 104 109 A Y H <> S+ 0 0 0 -3,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.982 104.3 39.3 -52.3 -59.0 10.3 26.2 -3.8 105 110 A R H > S+ 0 0 71 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.942 119.3 47.4 -55.4 -52.8 7.0 24.8 -5.0 106 111 A I H X S+ 0 0 60 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.933 115.0 44.1 -57.1 -51.8 5.3 28.2 -4.5 107 112 A F H X S+ 0 0 6 -4,-4.4 4,-2.4 1,-0.2 5,-0.4 0.928 106.2 63.7 -59.4 -43.8 8.0 30.1 -6.3 108 113 A A H X>S+ 0 0 0 -4,-3.4 4,-1.8 -5,-0.4 5,-1.6 0.908 108.1 41.3 -44.1 -52.8 8.1 27.4 -8.9 109 114 A K H <5S+ 0 0 75 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.868 110.0 55.8 -68.3 -39.1 4.5 28.3 -9.9 110 115 A A H <5S+ 0 0 17 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.972 116.0 38.0 -57.4 -52.1 4.8 32.1 -9.7 111 116 A V H <5S- 0 0 13 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.821 108.0-124.5 -67.7 -34.0 7.7 32.1 -12.2 112 117 A G T <5 + 0 0 60 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.644 52.0 159.8 94.6 17.9 6.2 29.4 -14.3 113 118 A A < - 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