==== 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 OXIDOREDUCTASE 28-JUN-96 1DRU . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.G.REDDY,G.SCAPIN,J.S.BLANCHARD . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 0 0 0 0 1 0 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A A 0 0 93 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 21.9 23.1 50.6 12.4 2 5 A N + 0 0 97 1,-0.4 27,-0.9 0, 0.0 26,-0.1 -0.770 360.0 11.3-136.7-148.9 25.4 48.0 13.7 3 6 A I S S- 0 0 24 -2,-0.3 26,-3.4 24,-0.2 -1,-0.4 0.254 70.8-136.1 -5.6 126.1 25.7 44.3 14.0 4 7 A R E -a 29 0A 78 24,-0.2 67,-2.3 26,-0.1 68,-1.3 -0.735 18.6-155.4 -99.3 154.0 23.0 42.6 11.8 5 8 A V E - b 0 72A 2 24,-1.8 27,-2.1 -2,-0.3 26,-0.4 -0.942 11.6-141.5-130.2 151.9 21.1 39.8 13.1 6 9 A A E -ab 32 73A 0 66,-2.8 68,-2.3 -2,-0.4 2,-0.6 -0.887 15.1-151.3-105.5 148.4 19.3 36.9 11.6 7 10 A I E > - b 0 74A 0 25,-1.5 3,-0.9 -2,-0.4 68,-0.1 -0.852 8.2-162.9-119.3 101.2 15.9 35.8 13.3 8 11 A A T 3 S+ 0 0 2 66,-1.7 68,-0.5 -2,-0.6 27,-0.1 -0.407 78.0 37.3 -75.8 150.7 15.1 32.1 12.9 9 12 A G T > S+ 0 0 15 66,-0.1 3,-3.4 1,-0.1 6,-0.7 0.657 74.9 172.7 81.4 20.1 11.5 31.3 13.6 10 13 A A T < S+ 0 0 0 24,-2.3 25,-0.1 -3,-0.9 9,-0.1 0.472 72.4 37.4 -41.9 -16.3 10.3 34.6 12.0 11 14 A G T 3 S+ 0 0 12 23,-0.1 -1,-0.3 4,-0.1 24,-0.1 0.475 96.1 100.4-118.1 0.5 6.6 33.9 12.1 12 15 A G S <> S- 0 0 33 -3,-3.4 4,-1.7 1,-0.1 65,-0.0 -0.252 93.4 -93.8 -78.9 168.1 6.5 32.1 15.4 13 16 A R H > S+ 0 0 162 1,-0.2 4,-0.7 2,-0.2 5,-0.1 0.868 126.2 39.7 -50.0 -41.7 5.3 33.8 18.6 14 17 A M H > S+ 0 0 15 62,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.835 106.2 61.1 -79.2 -38.6 8.9 34.7 19.5 15 18 A G H > S+ 0 0 1 -6,-0.7 4,-1.3 61,-0.2 -5,-0.2 0.875 103.5 51.1 -61.0 -33.2 10.3 35.6 16.0 16 19 A R H >X S+ 0 0 97 -4,-1.7 4,-2.8 -7,-0.3 3,-0.8 0.972 111.6 45.5 -65.2 -47.9 7.9 38.5 15.5 17 20 A Q H 3X S+ 0 0 37 -4,-0.7 4,-2.2 1,-0.3 -1,-0.3 0.690 109.4 59.1 -62.2 -29.4 8.7 40.1 18.9 18 21 A L H 3X S+ 0 0 0 -4,-0.9 4,-1.4 2,-0.2 -1,-0.3 0.823 104.5 48.2 -77.6 -21.4 12.1 39.5 18.1 19 22 A I H XX S+ 0 0 6 -4,-1.3 4,-2.4 -3,-0.8 3,-0.6 0.986 113.7 45.5 -80.8 -48.9 11.9 41.6 15.0 20 23 A Q H 3X S+ 0 0 74 -4,-2.8 4,-0.9 1,-0.3 5,-0.4 0.954 112.1 52.1 -56.1 -55.1 10.2 44.4 16.7 21 24 A A H 3X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.876 111.1 49.8 -50.9 -30.6 12.7 44.2 19.5 22 25 A A H << S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.6 6,-0.2 0.913 111.1 43.4 -76.9 -52.7 15.5 44.4 17.0 23 26 A L H < S+ 0 0 64 -4,-2.4 5,-0.2 1,-0.2 -2,-0.1 0.990 115.3 50.7 -49.5 -76.2 14.5 47.4 14.9 24 27 A A H < S+ 0 0 85 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.805 97.3 84.4 -24.5 -45.4 13.6 49.3 18.1 25 28 A L S >< S- 0 0 54 -4,-1.6 3,-0.6 -5,-0.4 2,-0.4 -0.454 78.5-136.9 -74.5 146.5 16.9 48.4 19.5 26 29 A E T 3 S+ 0 0 179 1,-0.2 3,-0.1 -2,-0.1 -2,-0.1 -0.783 83.4 36.8-100.6 142.3 19.7 50.8 18.5 27 30 A G T 3 S+ 0 0 10 -2,-0.4 2,-0.3 1,-0.3 -24,-0.2 0.566 103.9 92.1 94.7 10.4 23.1 49.6 17.5 28 31 A V < - 0 0 5 -3,-0.6 2,-0.4 -5,-0.2 -1,-0.3 -0.992 55.8-164.8-140.2 130.2 21.5 46.6 15.9 29 32 A Q E -a 4 0A 78 -26,-3.4 -24,-1.8 -27,-0.9 2,-1.2 -0.863 28.1-116.4-112.6 153.1 20.3 46.1 12.3 30 33 A L E + 0 0 12 -2,-0.4 -26,-0.1 -26,-0.3 -24,-0.1 -0.691 39.7 166.8 -86.8 93.5 18.0 43.4 10.9 31 34 A G E + 0 0 7 -2,-1.2 2,-0.3 -26,-0.4 -25,-0.2 0.951 58.1 7.1 -73.9 -59.4 20.1 41.3 8.5 32 35 A A E -a 6 0A 2 -27,-2.1 -25,-1.5 25,-0.1 2,-0.2 -0.910 50.3-157.1-132.3 159.6 18.1 38.2 7.8 33 36 A A E -f 59 0B 1 25,-0.6 27,-2.1 -2,-0.3 12,-0.2 -0.635 20.7-169.0-137.4 94.8 14.7 36.7 8.5 34 37 A L E +f 60 0B 7 25,-0.3 -24,-2.3 -2,-0.2 2,-0.3 -0.286 18.0 160.4 -89.5 156.5 14.3 33.0 8.4 35 38 A E - 0 0 33 25,-1.6 2,-0.3 -26,-0.2 -2,-0.0 -0.827 48.9 -87.7-148.4 175.0 11.4 30.7 8.5 36 39 A R > - 0 0 160 -2,-0.3 3,-1.1 1,-0.1 2,-0.3 -0.758 45.7 -99.3 -94.9 157.4 11.4 27.1 7.3 37 40 A E T 3 S+ 0 0 152 -2,-0.3 3,-0.1 24,-0.3 24,-0.1 -0.509 105.5 43.4 -70.6 118.9 10.7 26.1 3.6 38 41 A G T 3 S+ 0 0 75 1,-0.5 -1,-0.2 -2,-0.3 23,-0.0 0.083 86.5 101.0 134.0 -30.0 7.1 25.0 3.2 39 42 A S S < S- 0 0 32 -3,-1.1 -1,-0.5 1,-0.1 -4,-0.0 -0.201 99.6 -89.9 -72.1 179.7 5.2 27.6 5.2 40 43 A S > - 0 0 93 1,-0.1 3,-0.7 -3,-0.1 -1,-0.1 0.268 51.8-131.8 -74.1 14.1 3.5 30.6 3.5 41 44 A L T 3 - 0 0 37 -5,-0.3 3,-0.2 1,-0.2 18,-0.1 0.790 36.2-114.5 24.6 47.1 6.9 32.0 4.1 42 45 A L T > - 0 0 41 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.345 59.3 -52.6 -10.9 92.3 4.7 34.8 5.4 43 46 A G T < S- 0 0 50 -3,-0.7 6,-0.3 1,-0.2 -1,-0.2 0.787 85.2 -75.1 23.1 105.0 5.4 37.6 3.0 44 47 A S T 3 S- 0 0 68 14,-0.2 -1,-0.2 -3,-0.2 4,-0.1 0.112 81.5 -85.2 -26.7 89.6 9.1 38.2 2.8 45 48 A D S < S+ 0 0 8 -3,-0.5 13,-0.2 -12,-0.2 2,-0.1 0.128 75.9 115.6 46.9-147.9 9.4 39.9 6.2 46 49 A A S >> S- 0 0 3 11,-0.6 4,-1.0 2,-0.2 3,-0.7 -0.292 101.7 -36.2 82.1-156.4 8.9 43.5 7.2 47 50 A G H 3> S+ 0 0 8 6,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.482 124.4 98.0 -65.5 -6.2 6.3 44.8 9.4 48 51 A E H 34 S+ 0 0 63 6,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.957 102.2 7.3 -39.1 -72.1 4.9 42.0 7.4 49 52 A L H <4 S+ 0 0 15 -3,-0.7 2,-3.0 -6,-0.3 -2,-0.2 0.994 133.6 48.8 -74.4 -79.4 5.5 39.8 10.3 50 53 A A H < S- 0 0 1 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.069 106.6-117.6 -60.2 31.1 6.6 42.0 13.2 51 54 A G S < S+ 0 0 69 -2,-3.0 -4,-0.2 -4,-0.5 -1,-0.2 0.593 82.1 119.3 40.9 13.1 3.6 44.3 12.4 52 55 A A S S- 0 0 38 -6,-0.4 -5,-0.2 2,-0.1 -1,-0.1 0.356 75.5 -59.1 -81.0-149.6 6.4 46.8 11.8 53 56 A G - 0 0 69 -7,-0.1 -6,-0.3 -6,-0.1 -2,-0.0 0.912 62.9 -97.8 -64.4-108.5 7.5 48.8 8.7 54 57 A K - 0 0 71 -8,-0.3 -6,-0.3 -7,-0.2 -5,-0.1 0.355 41.6-164.1-150.4 -48.6 8.4 46.8 5.6 55 58 A T - 0 0 47 1,-0.2 -7,-0.1 -9,-0.1 -3,-0.0 0.874 37.9-113.3 52.7 117.4 12.2 46.6 5.5 56 59 A G S S+ 0 0 87 2,-0.1 2,-0.7 -11,-0.0 -1,-0.2 0.523 94.7 111.2 -52.8 4.1 13.8 45.5 2.2 57 60 A V - 0 0 27 -25,-0.1 -11,-0.6 -3,-0.0 2,-0.3 -0.790 53.7-173.6 -87.8 112.6 14.6 42.5 4.7 58 61 A T - 0 0 58 -2,-0.7 -25,-0.6 -13,-0.2 -14,-0.2 -0.813 26.2-103.4-118.3 136.0 12.5 39.7 3.4 59 62 A V E -f 33 0B 13 -2,-0.3 -25,-0.3 -17,-0.2 2,-0.2 -0.251 44.2-178.8 -60.6 149.6 12.0 36.3 5.0 60 63 A Q E -f 34 0B 60 -27,-2.1 -25,-1.6 1,-0.1 -1,-0.1 -0.572 37.1-142.5-136.1-167.7 13.9 33.3 3.7 61 64 A S S S+ 0 0 50 -2,-0.2 2,-0.7 -27,-0.2 -24,-0.3 0.202 73.5 90.1-140.2 -4.6 14.6 29.5 3.9 62 65 A S >> - 0 0 62 1,-0.2 3,-1.0 -26,-0.1 4,-0.9 -0.733 47.3-170.5-119.6 108.3 18.3 29.4 3.1 63 66 A L H >> S+ 0 0 30 -2,-0.7 4,-0.6 1,-0.3 3,-0.5 0.764 96.9 43.3 -45.1 -44.3 21.1 29.7 5.6 64 67 A D H 34 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.2 3,-0.3 0.766 103.7 69.4 -80.5 -22.5 23.8 30.0 2.9 65 68 A A H <4 S+ 0 0 53 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.805 111.9 28.1 -57.9 -26.5 21.5 32.4 1.1 66 69 A V H X< S+ 0 0 2 -4,-0.9 3,-3.2 -3,-0.5 4,-0.4 0.392 80.2 121.0-120.4 -4.6 22.0 35.0 3.9 67 70 A K T 3< S+ 0 0 41 -4,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.706 83.4 41.2 -40.4 -31.8 25.4 34.2 5.2 68 71 A D T 3 S+ 0 0 126 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.647 103.8 74.4 -94.4 -11.7 26.8 37.6 4.4 69 72 A D S < S+ 0 0 53 -3,-3.2 2,-0.3 -38,-0.0 -1,-0.2 0.374 98.6 28.6 -74.1 -14.6 23.6 39.2 5.6 70 73 A F - 0 0 3 -3,-0.4 -65,-0.2 -4,-0.4 3,-0.1 -0.960 48.9-159.2-147.5 164.4 23.9 38.9 9.5 71 74 A D S S+ 0 0 78 -67,-2.3 24,-1.2 1,-0.4 2,-0.4 0.553 82.9 35.9-113.7 -31.2 26.6 38.7 12.1 72 75 A V E S-bc 5 95A 7 -68,-1.3 -66,-2.8 22,-0.2 2,-0.5 -0.991 70.7-144.1-132.5 141.8 24.7 37.1 14.9 73 76 A F E -bc 6 96A 0 22,-3.1 24,-3.2 -2,-0.4 2,-0.5 -0.927 9.0-159.7-113.2 127.5 22.0 34.5 14.8 74 77 A I E -bc 7 97A 1 -68,-2.3 -66,-1.7 -2,-0.5 2,-0.6 -0.909 10.9-169.2-113.5 124.8 19.1 34.5 17.3 75 78 A D E + c 0 98A 0 22,-2.8 24,-3.1 -2,-0.5 25,-1.2 -0.908 29.6 151.5-125.3 118.4 17.2 31.3 17.8 76 79 A F + 0 0 29 -2,-0.6 -62,-0.2 -68,-0.5 -61,-0.2 -0.692 55.6 93.0-131.1 79.4 13.9 30.6 19.6 77 80 A T S S- 0 0 28 -2,-0.2 24,-0.3 1,-0.1 -2,-0.0 0.261 81.7 -41.3-129.2-114.1 12.7 27.6 17.6 78 81 A R > - 0 0 156 22,-0.1 4,-3.2 1,-0.1 3,-0.3 -0.967 46.8-113.8-134.5 148.0 13.1 23.8 18.2 79 82 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.811 117.2 50.9 -48.1 -41.4 16.1 21.8 19.4 80 83 A E H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 23,-0.0 0.928 112.0 44.4 -66.5 -48.6 16.4 20.1 16.0 81 84 A G H >> S+ 0 0 21 -3,-0.3 4,-2.3 1,-0.2 3,-0.6 0.965 112.7 55.0 -58.1 -47.0 16.3 23.4 14.0 82 85 A T H 3X S+ 0 0 1 -4,-3.2 4,-4.2 1,-0.3 -2,-0.2 0.927 102.0 55.3 -51.2 -54.6 18.8 24.9 16.4 83 86 A L H 3X S+ 0 0 61 -4,-2.4 4,-1.5 1,-0.2 -1,-0.3 0.844 109.4 48.5 -53.1 -35.3 21.3 22.1 16.0 84 87 A N H XX S+ 0 0 118 -4,-1.4 4,-2.1 -3,-0.6 3,-0.7 0.987 113.2 44.1 -67.1 -58.1 21.3 22.7 12.2 85 88 A H H 3X S+ 0 0 30 -4,-2.3 4,-3.2 1,-0.3 5,-0.4 0.930 110.8 60.5 -52.6 -38.8 21.7 26.5 12.5 86 89 A L H 3X S+ 0 0 9 -4,-4.2 4,-2.2 -5,-0.3 -1,-0.3 0.895 103.0 47.5 -58.4 -40.3 24.2 25.6 15.0 87 90 A A H S+ 0 0 0 -4,-3.2 5,-1.4 1,-0.2 -2,-0.2 0.923 112.0 52.8 -57.8 -39.6 27.1 29.2 12.3 90 93 A R H <5S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.912 106.0 53.6 -59.6 -41.2 29.8 27.1 13.7 91 94 A Q H <5S+ 0 0 145 -4,-1.8 2,-0.7 1,-0.2 -2,-0.2 0.956 119.8 32.5 -53.8 -61.2 31.3 26.5 10.2 92 95 A H T <5S- 0 0 56 -4,-2.1 -1,-0.2 -5,-0.1 26,-0.0 -0.915 111.6-102.3-103.7 103.7 31.4 30.2 9.4 93 96 A G T 5 + 0 0 60 -2,-0.7 2,-0.4 -3,-0.1 -3,-0.2 -0.040 64.3 154.0 -31.1 88.9 32.2 32.1 12.7 94 97 A K < - 0 0 34 -5,-1.4 -22,-0.2 -6,-0.0 -23,-0.1 -0.980 39.0-130.3-129.1 122.0 28.7 33.3 13.3 95 98 A G E -c 72 0A 13 -24,-1.2 -22,-3.1 -2,-0.4 2,-0.5 -0.290 21.4-142.9 -67.4 147.5 27.7 34.0 17.0 96 99 A M E -cd 73 120A 0 23,-2.2 25,-2.7 -24,-0.2 2,-0.7 -0.947 19.4-165.9-120.9 143.5 24.6 32.7 18.4 97 100 A V E -cd 74 121A 0 -24,-3.2 -22,-2.8 -2,-0.5 2,-0.6 -0.936 27.7-168.8-113.0 115.5 22.0 33.9 20.8 98 101 A I E +cd 75 122A 0 23,-3.0 25,-1.4 -2,-0.7 -22,-0.2 -0.885 30.8 150.8-114.3 123.2 20.1 30.8 21.8 99 102 A G + 0 0 10 -24,-3.1 2,-0.2 -2,-0.6 -23,-0.2 0.297 37.5 119.6-129.2 8.7 16.8 30.6 23.7 100 103 A T - 0 0 3 -25,-1.2 2,-0.2 -22,-0.1 3,-0.2 -0.514 51.1-155.1 -66.3 140.6 15.3 27.5 22.3 101 104 A T + 0 0 91 -24,-0.3 -2,-0.1 -2,-0.2 -1,-0.1 -0.641 53.1 59.5-120.0 175.2 14.7 25.1 25.0 102 105 A G + 0 0 63 -2,-0.2 -1,-0.1 1,-0.1 5,-0.0 0.799 56.1 163.2 87.3 34.1 14.4 21.4 25.7 103 106 A F - 0 0 20 -3,-0.2 2,-0.3 -24,-0.1 -1,-0.1 -0.225 33.6-129.9 -72.2 167.5 17.7 20.0 24.5 104 107 A D >> - 0 0 101 -25,-0.0 4,-1.7 1,-0.0 3,-1.6 -0.756 41.1 -88.5-107.8 172.5 18.7 16.5 25.6 105 108 A E H 3> S+ 0 0 111 1,-0.3 4,-1.1 -2,-0.3 -2,-0.1 0.713 133.3 53.7 -53.9 -33.7 22.1 16.0 27.0 106 109 A A H 3> S+ 0 0 68 2,-0.2 4,-1.3 3,-0.1 -1,-0.3 0.878 107.6 54.5 -69.4 -35.9 23.5 15.4 23.6 107 110 A G H X> S+ 0 0 1 -3,-1.6 3,-1.9 1,-0.2 4,-1.5 0.996 109.4 43.5 -55.7 -66.9 21.9 18.7 22.6 108 111 A K H 3X S+ 0 0 61 -4,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.770 108.1 63.1 -51.2 -30.5 23.5 20.7 25.3 109 112 A Q H 3X S+ 0 0 80 -4,-1.1 4,-1.3 -5,-0.4 -1,-0.3 0.879 99.6 49.8 -71.2 -30.4 26.7 19.0 24.5 110 113 A A H < S+ 0 0 77 -4,-1.3 3,-1.8 -5,-0.2 -2,-0.3 0.971 107.2 49.3 -74.9 -42.1 31.2 22.2 21.9 114 117 A A H >X S+ 0 0 0 -4,-4.9 3,-2.3 1,-0.3 4,-1.6 0.872 97.4 81.4 -59.5 -31.7 30.2 24.7 19.2 115 118 A A T 3< S+ 0 0 8 -4,-2.8 142,-0.6 -5,-0.3 -1,-0.3 0.536 79.1 62.1 -54.9 -4.7 31.3 27.3 22.0 116 119 A A T <4 S+ 0 0 73 -3,-1.8 -1,-0.3 140,-0.1 -2,-0.1 0.544 112.4 33.4 -99.7 5.7 34.9 27.0 21.3 117 120 A D T <4 S+ 0 0 97 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.542 125.4 30.1-124.7 -28.5 34.8 28.3 17.7 118 121 A I S < S- 0 0 3 -4,-1.6 139,-1.5 -25,-0.1 2,-0.5 -0.849 83.0-108.9-127.8 170.5 31.9 30.8 18.0 119 122 A A E - 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