==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-AUG-05 2ATS . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.R.A.DEVENISH,R.C.J.DOBSON,G.B.JAMESON,J.A.GERRARD . 587 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 0.3 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 . 31 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 2 3 1 1 1 2 2 4 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 6 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 45 0, 0.0 97,-0.1 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 -96.8 -26.4 3.3 9.5 2 2 A F + 0 0 43 36,-0.0 2,-0.3 198,-0.0 198,-0.1 -0.052 360.0 66.9-129.9 32.5 -25.6 6.3 11.7 3 3 A T S S+ 0 0 72 2,-0.1 198,-0.3 179,-0.1 2,-0.1 -0.874 78.2 27.2-138.5 174.8 -21.8 6.7 11.2 4 4 A G E S-a 201 0A 15 196,-2.3 198,-2.1 -2,-0.3 2,-0.7 -0.390 110.4 -10.0 76.7-150.0 -19.4 7.6 8.4 5 5 A S E -a 202 0A 1 30,-0.3 32,-2.6 196,-0.2 33,-0.9 -0.789 65.6-178.0 -90.2 110.0 -20.3 9.9 5.5 6 6 A I E -ab 203 38A 0 196,-2.7 198,-3.1 -2,-0.7 2,-0.4 -0.942 21.9-133.1-110.9 122.2 -24.1 10.5 5.4 7 7 A V E -ab 204 39A 0 31,-2.2 33,-3.1 -2,-0.5 2,-1.3 -0.612 5.4-148.5 -83.3 131.7 -25.3 12.6 2.5 8 8 A A E - b 0 40A 5 196,-3.1 200,-0.1 -2,-0.4 33,-0.1 -0.778 41.4-148.8 -85.8 84.4 -27.7 15.5 3.1 9 9 A I - 0 0 3 -2,-1.3 33,-0.4 31,-1.3 34,-0.4 -0.332 5.2-124.5 -76.9 139.7 -29.1 14.8 -0.3 10 10 A V - 0 0 1 195,-0.1 36,-0.3 36,-0.1 -1,-0.1 -0.340 18.2-125.3 -64.1 153.7 -30.6 17.4 -2.6 11 11 A T - 0 0 2 34,-0.5 2,-0.1 30,-0.1 -1,-0.1 -0.893 31.5-145.9 -96.7 98.8 -34.2 17.0 -3.9 12 12 A P - 0 0 1 0, 0.0 8,-2.3 0, 0.0 2,-0.3 -0.456 20.9-168.0 -70.5 141.4 -33.5 17.3 -7.6 13 13 A M B -I 19 0B 1 251,-0.5 253,-0.5 253,-0.3 251,-0.3 -0.875 20.5-121.0-130.7 156.6 -36.3 18.9 -9.5 14 14 A D > - 0 0 55 4,-2.5 3,-1.9 -2,-0.3 6,-0.1 -0.243 52.4 -84.6 -81.9-178.5 -37.5 19.5 -13.0 15 15 A E T 3 S+ 0 0 143 1,-0.3 252,-0.1 2,-0.1 -1,-0.1 0.724 130.3 60.1 -62.0 -23.5 -37.9 23.0 -14.4 16 16 A K T 3 S- 0 0 176 2,-0.1 -1,-0.3 250,-0.1 3,-0.1 0.502 119.0-109.6 -80.3 -9.0 -41.4 23.0 -12.8 17 17 A G S < S+ 0 0 5 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.654 77.0 125.2 89.5 17.6 -40.0 22.5 -9.3 18 18 A N S S- 0 0 74 1,-0.1 -4,-2.5 249,-0.0 -1,-0.3 -0.799 72.3 -81.1-107.9 152.3 -41.2 18.9 -8.8 19 19 A V B -I 13 0B 43 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.3 -0.195 38.1-143.7 -54.9 133.5 -39.0 16.0 -7.9 20 20 A C > - 0 0 25 -8,-2.3 4,-2.6 1,-0.2 5,-0.2 -0.912 9.3-165.2-102.0 109.7 -37.2 14.4 -10.9 21 21 A R H > S+ 0 0 128 -2,-0.7 4,-3.2 1,-0.2 5,-0.2 0.887 86.2 55.0 -64.5 -43.1 -37.0 10.6 -10.4 22 22 A A H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 112.6 43.7 -59.2 -43.7 -34.4 10.0 -13.1 23 23 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 113.1 51.2 -67.8 -43.5 -32.1 12.5 -11.3 24 24 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.908 110.4 49.9 -58.7 -42.9 -32.9 11.1 -7.9 25 25 A K H X S+ 0 0 82 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.921 109.3 51.4 -62.3 -42.5 -32.1 7.6 -9.2 26 26 A K H X S+ 0 0 107 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.934 111.4 48.3 -59.7 -47.4 -28.7 8.8 -10.7 27 27 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 234,-0.2 -1,-0.2 0.914 111.9 47.7 -57.7 -47.9 -27.8 10.4 -7.3 28 28 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.924 110.9 50.6 -65.1 -45.3 -28.7 7.3 -5.3 29 29 A D H X S+ 0 0 58 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.906 110.0 53.0 -53.6 -44.4 -26.8 5.0 -7.6 30 30 A Y H X S+ 0 0 50 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.895 108.7 48.2 -60.0 -44.1 -23.8 7.3 -7.2 31 31 A H H X>S+ 0 0 0 -4,-2.1 5,-1.7 2,-0.2 4,-1.0 0.907 112.2 48.6 -66.3 -39.5 -24.0 7.2 -3.4 32 32 A V H ><5S+ 0 0 48 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.946 115.5 45.1 -63.6 -48.4 -24.2 3.4 -3.5 33 33 A A H 3<5S+ 0 0 86 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.870 113.1 51.6 -58.1 -40.7 -21.2 3.3 -5.9 34 34 A S H 3<5S- 0 0 17 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.582 112.4-111.1 -80.8 -14.9 -19.3 5.9 -3.9 35 35 A G T <<5 + 0 0 45 -4,-1.0 -30,-0.3 -3,-0.7 -3,-0.2 0.591 52.1 168.2 92.0 11.9 -19.5 4.2 -0.4 36 36 A T < - 0 0 10 -5,-1.7 -1,-0.2 -6,-0.2 -30,-0.2 -0.363 31.3-142.0 -54.5 136.4 -21.8 6.7 1.2 37 37 A S - 0 0 38 -32,-2.6 2,-0.3 1,-0.2 -31,-0.2 0.832 67.6 -18.9 -78.3 -35.0 -23.0 5.2 4.5 38 38 A A E -b 6 0A 0 -33,-0.9 -31,-2.2 33,-0.1 2,-0.5 -0.973 59.0-119.8-162.8 166.9 -26.6 6.5 4.4 39 39 A I E -bc 7 73A 0 33,-2.4 35,-3.5 -2,-0.3 2,-0.7 -0.985 10.5-148.2-119.2 128.5 -28.9 9.1 2.9 40 40 A V E -bc 8 74A 1 -33,-3.1 -31,-1.3 -2,-0.5 2,-0.5 -0.866 23.2-152.7 -88.0 114.1 -30.8 11.8 4.7 41 41 A S E - c 0 75A 0 33,-3.2 35,-3.1 -2,-0.7 60,-0.2 -0.827 67.5 -4.9 -95.7 126.8 -34.0 12.3 2.7 42 42 A V S S+ 0 0 1 -2,-0.5 -1,-0.2 -33,-0.4 2,-0.1 0.916 90.3 139.0 54.1 51.8 -35.7 15.8 2.8 43 43 A G S > >S- 0 0 8 -3,-0.5 5,-1.3 -34,-0.4 3,-0.6 -0.189 76.1 -61.3 -89.8-157.8 -33.5 17.4 5.4 44 44 A T G > 5S+ 0 0 15 1,-0.3 3,-1.3 2,-0.2 5,-0.2 0.882 139.2 46.0 -56.5 -49.3 -32.4 21.0 5.1 45 45 A T G 3 5S+ 0 0 2 1,-0.3 -34,-0.5 2,-0.1 -1,-0.3 0.707 105.7 63.6 -70.9 -21.0 -30.4 20.6 1.8 46 46 A G G < 5S- 0 0 0 -3,-0.6 -1,-0.3 -36,-0.3 -2,-0.2 0.229 117.3-111.8 -85.0 11.9 -33.4 18.6 0.4 47 47 A E T X>5 + 0 0 8 -3,-1.3 4,-0.7 1,-0.1 3,-0.7 0.892 52.8 167.7 58.7 44.5 -35.6 21.8 0.7 48 48 A S G >4< + 0 0 22 -5,-1.3 3,-0.9 1,-0.2 -4,-0.1 0.873 69.6 61.6 -52.1 -40.8 -37.8 20.5 3.5 49 49 A A G 34 S+ 0 0 4 1,-0.2 -1,-0.2 -5,-0.2 324,-0.1 0.843 107.4 41.9 -56.1 -41.0 -39.3 24.0 4.0 50 50 A T G <4 S+ 0 0 12 -3,-0.7 2,-0.4 218,-0.1 -1,-0.2 0.400 96.4 85.2 -98.4 1.0 -40.8 24.3 0.5 51 51 A L S << S- 0 0 5 -3,-0.9 2,-0.0 -4,-0.7 -4,-0.0 -0.866 78.1-128.5 -94.6 135.0 -42.2 20.8 0.1 52 52 A N > - 0 0 79 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.277 34.6 -93.6 -74.4 170.0 -45.7 20.3 1.5 53 53 A H H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.877 126.7 42.6 -57.4 -40.5 -46.3 17.3 3.9 54 54 A D H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 114.7 49.3 -70.8 -44.4 -47.4 15.0 1.1 55 55 A E H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.882 112.0 51.0 -58.2 -39.1 -44.7 16.1 -1.4 56 56 A H H X S+ 0 0 2 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.948 110.7 47.1 -62.6 -52.1 -42.2 15.6 1.5 57 57 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.890 110.2 54.5 -58.7 -42.3 -43.5 12.0 2.2 58 58 A D H X S+ 0 0 99 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.875 107.7 48.4 -59.4 -43.8 -43.4 11.2 -1.6 59 59 A V H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.916 112.7 48.7 -65.8 -43.1 -39.8 12.2 -2.0 60 60 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.953 113.9 45.6 -60.2 -49.0 -38.8 10.1 1.1 61 61 A M H X S+ 0 0 62 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.865 113.0 50.9 -63.6 -36.2 -40.8 7.1 -0.2 62 62 A M H X S+ 0 0 49 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.900 109.6 50.0 -67.2 -42.5 -39.3 7.5 -3.7 63 63 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 111.6 48.8 -59.8 -44.9 -35.8 7.7 -2.2 64 64 A L H X>S+ 0 0 34 -4,-2.5 4,-1.6 2,-0.2 5,-0.5 0.931 111.9 48.9 -61.7 -48.3 -36.4 4.5 -0.2 65 65 A D H <5S+ 0 0 98 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.938 114.3 45.4 -53.1 -51.2 -37.8 2.7 -3.3 66 66 A L H <5S+ 0 0 10 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.840 105.8 58.3 -69.7 -35.7 -34.9 3.7 -5.4 67 67 A A H ><5S- 0 0 1 -4,-2.4 3,-2.4 -5,-0.2 -1,-0.2 0.861 87.5-166.3 -57.5 -37.3 -32.3 2.8 -2.8 68 68 A D T 3<5 - 0 0 123 -4,-1.6 -3,-0.1 1,-0.3 -2,-0.1 0.844 66.3 -54.8 54.2 42.5 -33.9 -0.7 -3.0 69 69 A G T 3 S- 0 0 7 1,-0.1 4,-1.9 261,-0.1 3,-0.3 -0.988 79.7-143.2-112.4 128.7 -45.0 22.4 15.8 82 82 A T H > S+ 0 0 4 480,-1.2 4,-2.5 -2,-0.5 5,-0.2 0.874 100.2 55.5 -58.9 -37.2 -44.9 19.2 17.9 83 83 A A H > S+ 0 0 70 479,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.892 109.0 48.4 -66.3 -36.6 -48.1 17.9 16.4 84 84 A E H > S+ 0 0 33 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.866 109.5 51.3 -67.0 -43.0 -46.7 18.3 12.9 85 85 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.901 110.9 49.6 -59.8 -42.2 -43.4 16.5 13.8 86 86 A I H X S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.950 111.5 48.2 -63.1 -47.0 -45.5 13.6 15.2 87 87 A S H X S+ 0 0 66 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.885 112.1 48.2 -59.6 -45.3 -47.6 13.4 12.0 88 88 A L H X S+ 0 0 2 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.942 112.7 49.1 -62.0 -47.3 -44.6 13.5 9.7 89 89 A T H >X S+ 0 0 0 -4,-2.4 3,-1.1 -12,-0.3 4,-0.7 0.879 106.8 55.0 -57.7 -44.1 -42.9 10.8 11.8 90 90 A Q H >< S+ 0 0 96 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.849 97.3 67.3 -61.9 -32.1 -46.1 8.6 11.8 91 91 A R H 3< S+ 0 0 105 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.835 106.4 38.9 -51.8 -38.4 -46.0 8.8 8.0 92 92 A F H X< S+ 0 0 0 -3,-1.1 3,-1.4 -4,-0.7 5,-0.4 0.463 81.9 124.3-102.7 -2.7 -42.7 6.8 8.0 93 93 A N T << S+ 0 0 55 -3,-0.8 33,-0.0 -4,-0.7 -3,-0.0 -0.353 88.2 6.0 -53.9 132.7 -43.5 4.3 10.7 94 94 A D T 3 S+ 0 0 112 3,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.850 100.8 117.4 57.9 40.6 -43.1 0.7 9.3 95 95 A S S < S- 0 0 38 -3,-1.4 -2,-0.1 2,-0.2 3,-0.1 0.594 88.0-101.2-109.5 -18.2 -41.8 2.1 6.0 96 96 A G S S+ 0 0 55 1,-0.5 -23,-0.3 -4,-0.3 2,-0.1 0.167 78.3 133.9 107.0 -20.9 -38.2 0.8 5.6 97 97 A I - 0 0 8 -5,-0.4 -1,-0.5 1,-0.1 -2,-0.2 -0.441 50.3-148.2 -55.6 137.2 -36.7 4.1 6.7 98 98 A V - 0 0 54 -25,-2.6 2,-0.3 1,-0.2 -24,-0.2 0.664 65.3 -24.6 -86.6 -17.2 -33.9 3.3 9.3 99 99 A G E -d 74 0A 0 -26,-0.7 -24,-2.5 29,-0.2 2,-0.4 -0.984 60.6-103.9-176.9 174.5 -34.3 6.5 11.3 100 100 A C E -de 75 130A 0 29,-2.4 31,-2.6 -2,-0.3 2,-0.6 -0.945 11.4-148.0-121.7 143.6 -35.4 10.1 11.5 101 101 A L E -de 76 131A 5 -26,-3.1 -24,-2.6 -2,-0.4 -23,-0.9 -0.948 25.0-175.1-108.2 115.8 -33.5 13.4 11.6 102 102 A T E - e 0 132A 1 29,-2.6 31,-1.3 -2,-0.6 2,-0.1 -0.926 9.5-152.0-126.2 111.9 -35.5 15.9 13.7 103 103 A V E - e 0 133A 6 -2,-0.5 -24,-0.6 29,-0.2 31,-0.2 -0.401 29.7 -97.3 -79.2 148.4 -34.5 19.6 14.1 104 104 A T - 0 0 0 29,-2.0 -1,-0.1 1,-0.1 37,-0.1 -0.426 59.7 -84.4 -55.2 138.2 -35.2 21.8 17.0 105 105 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.221 49.5-144.4 -48.0 136.8 -38.3 24.0 16.3 106 106 A Y + 0 0 11 2,-0.1 2,-1.7 -3,-0.1 34,-0.2 -0.700 67.4 11.5-106.3 151.8 -37.4 27.1 14.3 107 107 A Y S S+ 0 0 8 32,-1.4 -1,-0.1 324,-1.0 325,-0.1 -0.263 113.9 68.2 80.5 -49.3 -39.0 30.6 14.6 108 108 A N S S- 0 0 17 -2,-1.7 -1,-0.2 -28,-0.1 -2,-0.1 0.493 87.7-145.9 -86.8 -5.0 -40.9 30.1 17.9 109 109 A R - 0 0 106 30,-0.4 -3,-0.1 322,-0.2 432,-0.1 0.855 18.5-159.4 49.4 59.6 -37.7 29.8 20.0 110 110 A P - 0 0 9 0, 0.0 454,-0.1 0, 0.0 -1,-0.1 -0.203 18.0-106.7 -67.3 157.7 -38.8 27.2 22.7 111 111 A S > - 0 0 36 452,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.231 36.4 -99.6 -69.7 172.8 -37.1 26.9 26.0 112 112 A Q H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.877 129.1 53.6 -63.6 -37.2 -34.8 23.9 26.8 113 113 A E H > S+ 0 0 72 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 107.3 50.5 -59.2 -45.6 -37.8 22.4 28.6 114 114 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 109.4 50.6 -60.0 -42.6 -39.9 22.9 25.5 115 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.948 110.4 50.8 -59.0 -45.8 -37.2 21.2 23.4 116 116 A Y H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.947 114.0 42.4 -55.5 -52.1 -37.3 18.3 25.9 117 117 A Q H X S+ 0 0 59 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.859 113.7 53.7 -64.7 -36.5 -41.1 17.9 25.7 118 118 A H H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.982 115.5 36.8 -61.9 -57.4 -41.1 18.3 21.9 119 119 A F H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.844 115.6 54.2 -69.1 -35.5 -38.5 15.6 21.2 120 120 A K H X S+ 0 0 57 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.956 109.3 48.3 -62.4 -48.5 -39.8 13.3 24.0 121 121 A A H X S+ 0 0 15 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.908 112.1 49.3 -58.8 -42.6 -43.3 13.4 22.6 122 122 A I H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.962 111.1 48.8 -60.7 -52.5 -42.1 12.7 19.1 123 123 A A H >< S+ 0 0 3 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47.7 -56.6 -49.6 -63.1 39.7 25.8 320 27 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 234,-0.3 -2,-0.2 0.882 112.3 48.2 -59.6 -44.1 -59.7 40.7 24.4 321 28 B I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.929 111.2 49.8 -66.0 -43.3 -61.1 42.4 21.3 322 29 B D H X S+ 0 0 50 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.878 110.1 52.8 -60.9 -38.0 -63.7 44.3 23.4 323 30 B Y H X S+ 0 0 52 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.911 109.9 47.3 -61.0 -45.4 -60.8 45.4 25.6 324 31 B H H X>S+ 0 0 0 -4,-2.2 5,-1.5 2,-0.2 4,-0.5 0.888 110.7 51.1 -67.7 -38.6 -58.8 46.7 22.7 325 32 B V H ><5S+ 0 0 51 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.943 115.8 42.1 -58.6 -47.9 -61.8 48.6 21.2 326 33 B A H 3<5S+ 0 0 74 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.745 113.2 53.9 -72.6 -23.8 -62.4 50.3 24.6 327 34 B S H 3<5S- 0 0 14 -4,-1.7 181,-0.3 -5,-0.1 -1,-0.2 0.330 112.2-108.5-102.2 5.2 -58.7 51.0 25.3 328 35 B G T <<5 + 0 0 47 -3,-0.8 -30,-0.2 -4,-0.5 -3,-0.2 0.595 53.5 165.6 85.7 13.5 -57.7 52.8 22.1 329 36 B T < - 0 0 11 -5,-1.5 -1,-0.2 -6,-0.2 -30,-0.2 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