==== 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 08-OCT-04 1VP4 . COMPND 2 MOLECULE: AMINOTRANSFERASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 836 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 0.2 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 . 40 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.9 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 8 2 0 3 3 0 0 0 0 8 2 4 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 3 1 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 . 2 6 0 2 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 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 -6 A I 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.5 -43.0 117.1 55.6 2 -5 A H + 0 0 120 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.670 360.0 94.3 52.8 21.0 -44.9 120.2 54.5 3 -4 A H + 0 0 71 2,-0.1 2,-2.1 3,-0.0 -1,-0.1 -0.295 40.1 143.1-129.2 38.3 -41.6 120.7 52.8 4 -3 A H - 0 0 83 2,-0.0 2,-0.5 3,-0.0 -2,-0.0 -0.525 31.6-176.9 -78.0 69.1 -42.7 119.1 49.5 5 -2 A H + 0 0 154 -2,-2.1 2,-0.1 2,-0.1 -2,-0.1 -0.685 47.7 99.4 -87.8 126.6 -40.6 121.8 47.7 6 -1 A H + 0 0 60 -2,-0.5 -2,-0.0 0, 0.0 -3,-0.0 -0.178 59.7 84.5 126.6 91.3 -41.2 121.2 44.0 7 0 A H S > S+ 0 0 52 -2,-0.1 4,-1.8 0, 0.0 -2,-0.1 -0.358 86.0 60.8 138.7 -52.3 -43.7 123.9 43.7 8 1 A X H > S+ 0 0 39 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.847 107.2 46.2 -61.7 -42.0 -40.4 125.8 43.3 9 2 A V H > S+ 0 0 61 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.923 113.5 45.5 -64.0 -49.5 -40.1 123.5 40.3 10 3 A V H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.844 111.1 54.7 -65.2 -36.2 -43.8 124.0 39.2 11 4 A N H X S+ 0 0 51 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.943 111.1 45.0 -58.7 -46.1 -43.2 127.8 39.7 12 5 A L H >X S+ 0 0 29 -4,-2.0 3,-1.6 2,-0.2 4,-0.7 0.975 112.7 48.8 -64.4 -52.2 -40.2 127.6 37.4 13 6 A E H >< S+ 0 0 65 -4,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.864 108.1 59.1 -53.9 -32.9 -42.1 125.4 34.8 14 7 A G H 3< S+ 0 0 63 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.806 101.7 52.8 -62.4 -29.5 -44.7 128.1 35.2 15 8 A K H << S+ 0 0 8 -3,-1.6 -1,-0.2 -4,-1.1 -2,-0.2 0.578 82.2 117.3 -84.6 -10.1 -42.3 130.9 34.1 16 9 A I << - 0 0 22 -3,-0.8 525,-0.2 -4,-0.7 524,-0.1 -0.373 62.0-125.6 -71.3 133.3 -41.3 129.2 30.9 17 10 A S > - 0 0 2 523,-2.9 4,-2.2 -2,-0.1 5,-0.1 -0.086 26.4-102.4 -65.1 168.3 -42.1 130.9 27.6 18 11 A K H > S+ 0 0 43 2,-0.2 4,-0.8 1,-0.2 131,-0.1 0.898 125.3 52.3 -60.9 -42.1 -44.0 129.4 24.7 19 12 A I H >4 S+ 0 0 22 520,-0.2 3,-1.5 1,-0.2 4,-0.3 0.955 109.5 51.4 -56.3 -47.8 -40.7 128.8 22.8 20 13 A G H >4 S+ 0 0 0 519,-0.5 3,-0.9 1,-0.3 -2,-0.2 0.859 108.3 50.5 -56.4 -43.2 -39.5 127.1 25.9 21 14 A Q H 3< S+ 0 0 136 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.578 109.8 51.4 -72.6 -12.6 -42.6 124.9 26.0 22 15 A N T << S+ 0 0 77 -3,-1.5 2,-0.3 -4,-0.8 -1,-0.2 0.233 81.6 120.4-111.7 10.8 -42.2 123.9 22.3 23 16 A X < - 0 0 15 -3,-0.9 2,-0.3 -4,-0.3 673,-0.1 -0.601 46.5-156.0 -78.0 139.7 -38.6 122.8 22.5 24 17 A K - 0 0 26 -2,-0.3 2,-0.4 119,-0.2 123,-0.1 -0.848 6.3-139.3-117.8 146.6 -37.7 119.2 21.5 25 18 A S - 0 0 69 -2,-0.3 2,-0.3 673,-0.0 670,-0.1 -0.876 22.4-119.5-103.8 137.8 -34.7 117.1 22.5 26 19 A S - 0 0 39 -2,-0.4 4,-0.2 1,-0.1 3,-0.2 -0.601 16.9-160.0 -70.4 131.0 -32.9 114.8 20.1 27 20 A I > + 0 0 67 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 0.352 65.1 103.0 -91.7 8.3 -33.2 111.2 21.4 28 21 A I H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.909 79.1 46.8 -65.9 -48.4 -30.2 110.1 19.3 29 22 A R H 4 S+ 0 0 81 -3,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.889 112.4 51.8 -57.2 -45.1 -27.6 110.0 22.1 30 23 A E H >4 S+ 0 0 69 -4,-0.2 3,-1.5 1,-0.2 4,-0.2 0.977 114.1 42.0 -57.1 -54.5 -30.1 108.1 24.4 31 24 A I H 3< S+ 0 0 27 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.746 117.7 46.2 -71.3 -21.9 -30.8 105.4 21.8 32 25 A L T >< S+ 0 0 34 -4,-2.0 3,-1.8 -5,-0.2 -1,-0.3 0.253 79.3 115.9 -99.5 12.6 -27.1 105.1 20.7 33 26 A K T < S+ 0 0 98 -3,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.827 84.0 31.5 -46.0 -46.6 -26.0 105.0 24.3 34 27 A F T > S+ 0 0 125 -3,-0.3 3,-1.6 -4,-0.2 -1,-0.3 0.193 86.1 110.2-103.3 19.2 -24.6 101.4 24.1 35 28 A A T < S+ 0 0 14 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.594 75.3 54.6 -72.7 -13.6 -23.5 101.6 20.5 36 29 A A T 3 S+ 0 0 98 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.098 76.7 132.5-105.6 18.4 -19.8 101.6 21.4 37 30 A D S X S- 0 0 83 -3,-1.6 3,-2.1 1,-0.1 -3,-0.0 -0.330 74.2 -97.6 -64.4 157.5 -20.0 98.4 23.4 38 31 A K T 3 S+ 0 0 100 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.841 120.2 30.2 -50.0 -53.0 -17.2 95.9 22.6 39 32 A D T 3 S+ 0 0 112 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.173 97.2 115.9 -97.3 17.6 -19.1 93.6 20.2 40 33 A A < - 0 0 14 -3,-2.1 2,-0.5 -6,-0.1 329,-0.2 -0.549 48.5-158.3 -83.9 149.1 -21.5 96.3 18.9 41 34 A I E -a 369 0A 7 327,-2.1 329,-2.0 -2,-0.2 2,-0.5 -0.984 14.4-160.2-127.9 119.1 -21.6 97.5 15.3 42 35 A S E +a 370 0A 32 -2,-0.5 3,-0.2 327,-0.2 351,-0.2 -0.894 31.8 165.5-111.8 124.8 -23.0 100.9 14.8 43 36 A F + 0 0 0 327,-2.5 347,-1.8 -2,-0.5 329,-0.3 0.111 65.0 93.2-108.0 16.6 -24.4 102.4 11.6 44 37 A G + 0 0 1 327,-0.3 327,-0.1 345,-0.2 -1,-0.1 0.509 54.8 123.0 -88.4 -5.5 -26.0 105.2 13.7 45 38 A G - 0 0 17 345,-0.2 347,-0.1 -3,-0.2 327,-0.1 -0.164 37.2-177.1 -58.2 143.0 -23.2 107.7 13.3 46 39 A G + 0 0 20 2,-0.1 -1,-0.1 344,-0.0 300,-0.1 -0.012 57.9 86.7-123.2 30.2 -23.7 111.1 11.9 47 40 A V S S- 0 0 37 298,-0.1 346,-0.1 1,-0.0 345,-0.1 -0.835 76.8-102.8-135.4 155.7 -20.2 112.2 12.0 48 41 A P - 0 0 1 0, 0.0 -2,-0.1 0, 0.0 208,-0.1 -0.366 49.8 -90.3 -74.3 165.4 -16.9 112.1 10.0 49 42 A D > - 0 0 22 1,-0.2 3,-2.1 206,-0.1 4,-0.3 -0.664 28.8-152.4 -82.9 118.9 -14.0 109.7 10.9 50 43 A P G > S+ 0 0 9 0, 0.0 3,-0.8 0, 0.0 5,-0.2 0.654 91.7 70.5 -68.4 -13.9 -11.7 111.4 13.4 51 44 A E G 3 S+ 0 0 91 1,-0.2 4,-0.1 3,-0.1 -2,-0.1 0.642 94.8 56.2 -75.7 -12.5 -8.8 109.3 12.2 52 45 A T G < S+ 0 0 37 -3,-2.1 -1,-0.2 2,-0.1 259,-0.1 0.565 81.7 111.5 -91.9 -10.0 -9.0 111.3 9.0 53 46 A F S < S- 0 0 12 -3,-0.8 2,-2.1 -4,-0.3 3,-0.3 -0.353 75.6-123.0 -72.1 143.8 -8.6 114.7 10.6 54 47 A P > + 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.380 51.1 157.2 -80.7 65.5 -5.3 116.6 10.0 55 48 A R H > + 0 0 86 -2,-2.1 4,-2.2 1,-0.2 5,-0.1 0.833 63.7 52.1 -64.7 -39.9 -4.6 116.8 13.7 56 49 A K H > S+ 0 0 47 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.935 113.7 45.1 -62.5 -47.1 -0.8 117.3 13.6 57 50 A E H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.945 114.7 47.0 -64.8 -48.4 -1.2 120.3 11.2 58 51 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.857 110.6 54.5 -60.2 -34.1 -4.0 121.9 13.2 59 52 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.907 110.2 44.7 -67.2 -44.0 -2.1 121.4 16.4 60 53 A E H X S+ 0 0 96 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.886 115.1 48.1 -66.3 -41.9 1.0 123.2 15.1 61 54 A I H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.918 107.3 56.2 -68.6 -41.1 -1.1 126.0 13.6 62 55 A A H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 5,-0.2 0.921 109.2 46.4 -55.4 -47.6 -3.1 126.4 16.8 63 56 A K H X S+ 0 0 65 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.933 113.5 49.4 -58.5 -49.0 0.1 127.0 18.9 64 57 A E H X S+ 0 0 70 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.919 111.3 47.1 -59.3 -45.9 1.4 129.4 16.3 65 58 A I H X S+ 0 0 0 -4,-3.0 4,-1.1 2,-0.2 8,-0.3 0.805 113.7 47.4 -74.5 -26.0 -1.8 131.5 16.1 66 59 A I H < S+ 0 0 1 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.916 119.0 40.8 -74.3 -42.6 -2.2 131.8 19.9 67 60 A E H < S+ 0 0 47 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.915 131.2 23.1 -69.6 -44.2 1.5 132.7 20.4 68 61 A K H < S+ 0 0 87 -4,-2.7 -3,-0.2 -5,-0.2 3,-0.2 0.670 129.8 37.1-102.7 -24.3 1.9 135.1 17.4 69 62 A E S >X S+ 0 0 34 -4,-1.1 3,-2.5 -5,-0.4 4,-2.0 0.126 70.8 128.9-121.2 21.3 -1.6 136.3 16.6 70 63 A Y H 3> + 0 0 29 -4,-0.5 4,-1.6 1,-0.3 5,-0.3 0.653 62.5 70.1 -53.6 -27.4 -3.1 136.6 20.1 71 64 A H H 34 S+ 0 0 99 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.800 117.9 24.3 -61.6 -26.2 -4.3 140.2 19.5 72 65 A Y H X4 S+ 0 0 49 -3,-2.5 3,-0.6 -7,-0.2 -2,-0.2 0.858 125.6 46.8 -94.6 -55.7 -6.8 138.5 17.2 73 66 A T H 3< S+ 0 0 0 -4,-2.0 217,-0.6 -8,-0.3 -3,-0.2 0.695 119.3 34.6 -69.6 -29.4 -7.2 135.0 18.4 74 67 A L T 3< S+ 0 0 0 -4,-1.6 603,-2.5 -5,-0.2 604,-0.3 0.473 108.7 76.6-103.9 -4.4 -7.6 135.5 22.1 75 68 A Q S < S- 0 0 20 -3,-0.6 214,-0.3 -5,-0.3 215,-0.1 -0.602 95.8 -80.9-102.2 161.8 -9.5 138.7 22.0 76 69 A Y - 0 0 51 -2,-0.2 2,-0.2 595,-0.1 -1,-0.1 -0.284 52.2-159.2 -53.1 142.5 -13.1 139.5 21.1 77 70 A S - 0 0 23 210,-0.3 2,-0.2 599,-0.1 -1,-0.1 -0.648 25.7 -74.6-118.7-179.2 -13.7 139.5 17.4 78 71 A T > - 0 0 76 -2,-0.2 3,-0.8 1,-0.1 209,-0.3 -0.481 31.0-131.1 -73.5 148.5 -16.3 140.9 15.1 79 72 A T T 3 S+ 0 0 9 1,-0.2 30,-0.4 -2,-0.2 208,-0.2 0.863 107.0 66.9 -61.1 -32.6 -19.7 139.3 14.8 80 73 A E T 3 S- 0 0 81 1,-0.2 29,-0.5 28,-0.1 -1,-0.2 0.793 109.9-120.9 -65.2 -27.1 -19.2 139.4 11.1 81 74 A G < - 0 0 3 -3,-0.8 -1,-0.2 27,-0.2 -2,-0.1 -0.210 40.4 -36.1 105.4 165.8 -16.4 136.9 11.3 82 75 A D > - 0 0 0 1,-0.2 4,-2.2 -3,-0.1 3,-0.3 -0.352 43.6-154.9 -65.4 119.2 -12.7 136.5 10.5 83 76 A P H > S+ 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.805 93.6 58.5 -68.2 -23.9 -11.9 138.3 7.3 84 77 A V H > S+ 0 0 32 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.879 108.5 45.3 -66.7 -38.7 -8.9 136.1 6.6 85 78 A L H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.898 107.0 60.5 -69.6 -39.5 -11.2 133.1 6.7 86 79 A K H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.869 101.6 53.3 -54.7 -41.6 -13.7 134.9 4.5 87 80 A Q H X S+ 0 0 96 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.918 109.9 47.5 -59.5 -40.9 -11.0 135.2 1.8 88 81 A Q H X S+ 0 0 31 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.874 111.7 50.3 -68.3 -38.0 -10.4 131.5 1.9 89 82 A I H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.913 107.6 52.4 -66.6 -44.8 -14.1 130.8 1.8 90 83 A L H X S+ 0 0 30 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.887 112.2 47.8 -58.7 -38.3 -14.6 133.0 -1.3 91 84 A K H X S+ 0 0 74 -4,-1.9 4,-2.9 -5,-0.2 3,-0.5 0.955 111.1 49.7 -63.7 -51.2 -11.8 131.1 -3.0 92 85 A L H X S+ 0 0 20 -4,-2.5 4,-3.9 1,-0.2 5,-0.3 0.896 108.3 52.6 -57.4 -46.3 -13.3 127.7 -2.0 93 86 A L H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 6,-1.8 0.826 113.0 45.1 -59.3 -35.9 -16.8 128.5 -3.3 94 87 A E H X S+ 0 0 110 -4,-1.1 4,-1.3 -3,-0.5 -2,-0.2 0.901 118.3 42.0 -75.7 -44.4 -15.3 129.6 -6.6 95 88 A R H < S+ 0 0 127 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.893 122.9 39.2 -68.8 -39.7 -13.1 126.5 -6.9 96 89 A X H < S+ 0 0 47 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.932 139.2 4.5 -73.5 -48.9 -15.8 124.1 -5.6 97 90 A Y H < S- 0 0 10 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.382 92.4-111.1-122.7 -1.0 -18.9 125.5 -7.3 98 91 A G < + 0 0 33 -4,-1.3 2,-0.4 -5,-0.3 -4,-0.3 0.788 59.1 160.8 65.8 27.1 -17.9 128.3 -9.6 99 92 A I + 0 0 9 -6,-1.8 2,-0.3 -7,-0.1 -1,-0.2 -0.722 10.3 161.5 -80.0 129.0 -19.7 130.8 -7.3 100 93 A T + 0 0 96 -2,-0.4 3,-0.1 -3,-0.1 -9,-0.0 -0.876 36.9 60.2-139.5 170.8 -18.3 134.3 -8.0 101 94 A G S S+ 0 0 80 1,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.623 74.2 120.7 87.3 11.9 -19.4 138.0 -7.4 102 95 A L - 0 0 30 -12,-0.1 -1,-0.3 -3,-0.1 2,-0.3 -0.665 39.3-165.7-102.5 163.6 -19.5 137.9 -3.6 103 96 A D > - 0 0 64 -2,-0.2 3,-2.6 -3,-0.1 4,-0.2 -0.837 45.2 -81.7-135.3-177.4 -17.7 139.9 -1.0 104 97 A E G > S+ 0 0 66 1,-0.3 3,-1.4 -2,-0.3 -2,-0.0 0.773 123.8 62.6 -54.6 -27.0 -17.0 139.7 2.7 105 98 A D G 3 S+ 0 0 99 1,-0.3 -1,-0.3 162,-0.0 168,-0.1 0.487 93.3 63.9 -83.9 -1.9 -20.4 141.3 3.4 106 99 A N G < S+ 0 0 11 -3,-2.6 162,-1.8 167,-0.1 2,-0.3 0.332 102.3 62.2 -90.8 0.7 -22.2 138.3 1.8 107 100 A L E < +B 267 0B 1 -3,-1.4 2,-0.3 160,-0.2 160,-0.2 -0.930 50.0 171.8-134.2 150.8 -20.8 136.0 4.5 108 101 A I E -B 266 0B 0 158,-1.5 158,-2.2 -2,-0.3 2,-0.4 -0.970 26.4-128.2-148.9 152.7 -20.9 135.4 8.2 109 102 A F E -B 265 0B 0 -29,-0.5 2,-0.3 -30,-0.4 156,-0.2 -0.836 25.4-173.4-104.8 138.8 -19.6 132.6 10.4 110 103 A T E -B 264 0B 0 154,-2.2 154,-2.4 -2,-0.4 2,-1.7 -0.787 43.1 -90.3-120.6 167.2 -21.8 130.8 12.9 111 104 A V E > S-B 263 0B 0 -2,-0.3 4,-1.2 152,-0.2 152,-0.3 -0.645 101.6 -39.2 -77.6 84.0 -21.3 128.2 15.6 112 105 A G H >> S- 0 0 1 -2,-1.7 4,-0.9 150,-0.6 3,-0.6 0.127 81.0 -79.7 73.4 163.4 -21.9 125.4 13.2 113 106 A S H 3> S+ 0 0 10 150,-0.3 4,-2.4 1,-0.2 5,-0.2 0.736 127.6 78.0 -63.9 -19.1 -24.6 125.6 10.6 114 107 A Q H 3> S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.946 91.0 48.4 -53.3 -47.9 -26.8 124.7 13.6 115 108 A Q H - 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