==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-JAN-12 4D9M . COMPND 2 MOLECULE: DIAMINOPROPIONATE AMMONIA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.BISHT,V.RAJARAM,S.R.BHARATH,M.R.N.MURTHY . 763 8 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 3.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 59 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 0 0 0 4 6 0 4 0 6 1 3 4 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 2 A S 0 0 48 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.8 50.0 64.0 94.6 2 3 A V + 0 0 108 2,-0.0 2,-0.3 334,-0.0 334,-0.2 -0.896 360.0 163.3-102.8 127.4 47.1 65.4 96.5 3 4 A F - 0 0 17 332,-2.0 2,-0.7 -2,-0.5 377,-0.1 -0.987 34.2-131.1-146.8 153.2 44.6 67.4 94.4 4 5 A S + 0 0 78 -2,-0.3 2,-0.4 332,-0.2 329,-0.1 -0.882 24.2 178.1-112.8 102.4 41.0 68.8 94.5 5 6 A L - 0 0 6 -2,-0.7 2,-0.4 327,-0.3 -2,-0.0 -0.827 42.5-100.5 -98.0 141.3 38.8 68.1 91.5 6 7 A K + 0 0 37 -2,-0.4 290,-2.6 1,-0.1 2,-0.1 -0.469 52.1 160.6 -63.4 116.0 35.2 69.3 91.7 7 8 A I E -A 295 0A 14 -2,-0.4 2,-0.5 288,-0.2 288,-0.2 -0.642 18.2-168.2-138.8 79.4 33.1 66.2 92.5 8 9 A D E -A 294 0A 86 286,-2.4 286,-2.6 -2,-0.1 2,-0.5 -0.585 5.0-164.4 -73.2 117.4 29.7 67.4 93.8 9 10 A I E -A 293 0A 27 -2,-0.5 2,-0.4 284,-0.2 284,-0.2 -0.900 8.1-178.5-105.3 130.6 27.8 64.6 95.4 10 11 A A E -A 292 0A 24 282,-2.5 282,-2.6 -2,-0.5 2,-0.1 -0.994 24.3-127.5-132.5 127.7 24.0 65.0 96.1 11 12 A D E -A 291 0A 98 -2,-0.4 2,-1.0 280,-0.2 280,-0.2 -0.445 29.1-114.4 -66.3 140.1 21.8 62.4 97.7 12 13 A N > - 0 0 13 278,-2.4 3,-0.8 1,-0.2 -1,-0.1 -0.707 33.3-179.7 -78.6 104.0 18.6 61.5 95.8 13 14 A K T 3 S+ 0 0 92 -2,-1.0 -1,-0.2 247,-0.3 248,-0.1 0.602 77.8 62.2 -79.2 -12.2 15.8 62.8 98.1 14 15 A F T 3 S+ 0 0 70 246,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.260 73.0 134.1 -98.8 12.3 13.2 61.7 95.6 15 16 A F < + 0 0 71 -3,-0.8 272,-0.2 1,-0.1 273,-0.2 -0.445 15.3 156.5 -64.8 126.0 14.2 58.0 95.9 16 17 A N - 0 0 90 271,-1.8 272,-0.2 -2,-0.2 -1,-0.1 0.436 49.3-126.3-125.5 -10.9 11.2 55.6 96.3 17 18 A G + 0 0 12 270,-2.5 2,-0.8 1,-0.2 271,-0.1 0.636 50.3 157.9 69.6 15.7 12.6 52.3 95.1 18 19 A E - 0 0 129 269,-0.2 -1,-0.2 222,-0.1 -2,-0.1 -0.646 30.4-149.2 -73.6 111.1 9.7 51.8 92.5 19 20 A T - 0 0 56 -2,-0.8 3,-0.1 -3,-0.1 5,-0.1 -0.123 7.1-124.3 -72.7 172.9 11.2 49.4 90.0 20 21 A S > - 0 0 20 3,-0.4 3,-1.6 212,-0.3 216,-0.1 -0.919 13.6-168.1-126.8 105.5 10.2 49.3 86.3 21 22 A P T 3 S+ 0 0 97 0, 0.0 3,-0.4 0, 0.0 6,-0.3 0.739 90.9 71.7 -57.6 -23.0 8.9 46.0 84.8 22 23 A L T 3 S+ 0 0 86 1,-0.3 2,-0.5 -3,-0.1 -3,-0.0 0.827 107.5 33.7 -59.7 -36.5 9.5 47.9 81.5 23 24 A F S < S+ 0 0 5 -3,-1.6 -3,-0.4 209,-0.1 -1,-0.3 -0.852 98.1 119.8-121.4 93.0 13.2 47.5 82.1 24 25 A S S > S- 0 0 9 -2,-0.5 4,-1.9 -3,-0.4 5,-0.2 -0.697 77.0 -79.2-140.1-174.7 13.7 44.1 83.9 25 26 A Q H > S+ 0 0 81 -2,-0.2 4,-1.7 2,-0.2 5,-0.2 0.937 123.2 51.6 -56.9 -49.3 15.3 40.7 83.8 26 27 A S H > S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.884 112.7 42.4 -61.3 -45.9 12.6 39.3 81.4 27 28 A Q H > S+ 0 0 55 -6,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.854 113.7 52.3 -69.3 -37.2 12.9 42.1 78.8 28 29 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.782 105.6 55.9 -69.0 -29.0 16.7 42.1 78.9 29 30 A K H X S+ 0 0 46 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.811 109.3 45.9 -71.2 -33.0 16.7 38.4 78.4 30 31 A L H X S+ 0 0 103 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.879 112.9 50.6 -72.4 -40.8 14.7 39.0 75.2 31 32 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.875 112.9 45.8 -61.9 -40.5 17.1 41.7 74.2 32 33 A R H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.860 106.3 58.4 -72.8 -37.1 20.0 39.4 74.8 33 34 A Q H X S+ 0 0 69 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.892 108.2 48.7 -56.4 -40.8 18.4 36.6 72.9 34 35 A F H >< S+ 0 0 29 -4,-1.7 3,-0.7 1,-0.2 4,-0.2 0.936 112.1 46.1 -61.8 -51.2 18.3 39.0 69.9 35 36 A H H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.785 103.5 63.6 -66.8 -30.0 21.9 40.1 70.2 36 37 A Q H 3< S+ 0 0 98 -4,-2.3 5,-0.3 1,-0.3 -1,-0.2 0.825 98.5 55.6 -62.7 -33.7 23.2 36.5 70.6 37 38 A K T << S+ 0 0 97 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.505 85.1 104.0 -79.1 -5.7 21.9 35.7 67.1 38 39 A I S X S- 0 0 22 -3,-1.2 3,-0.9 -4,-0.2 -3,-0.0 -0.660 87.8 -97.1 -80.8 132.1 24.0 38.5 65.6 39 40 A A T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.200 105.9 15.3 -53.6 126.0 27.1 37.3 63.8 40 41 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.2 -4,-0.1 2,-0.2 0.796 84.0 171.0 79.9 31.7 30.3 37.5 65.9 41 42 A Y < + 0 0 30 -3,-0.9 -1,-0.2 -5,-0.3 -5,-0.1 -0.528 3.0 161.0 -73.5 138.1 28.5 37.9 69.3 42 43 A R - 0 0 185 -2,-0.2 28,-0.3 26,-0.1 2,-0.1 -0.905 44.6-109.6-155.3 130.4 30.6 37.7 72.4 43 44 A P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 156,-0.0 -0.432 46.0-114.2 -56.0 127.9 29.9 38.9 75.9 44 45 A T - 0 0 2 1,-0.1 22,-0.1 -2,-0.1 25,-0.0 -0.303 40.8 -85.3 -65.5 150.7 32.3 41.9 76.5 45 46 A P - 0 0 50 0, 0.0 20,-3.0 0, 0.0 2,-0.7 -0.284 26.5-151.5 -59.7 137.3 35.0 41.5 79.1 46 47 A L E -B 64 0A 18 18,-0.2 2,-0.3 -3,-0.1 18,-0.2 -0.922 26.1-153.7-103.7 99.7 34.3 42.2 82.8 47 48 A C E -B 63 0A 15 16,-2.9 16,-2.7 -2,-0.7 2,-0.8 -0.603 7.1-143.2 -85.2 132.2 37.8 43.3 83.9 48 49 A A E -B 62 0A 30 -2,-0.3 2,-1.3 14,-0.2 3,-0.2 -0.839 8.8-167.2 -95.2 107.5 38.9 42.9 87.5 49 50 A L > + 0 0 5 12,-2.7 4,-1.7 -2,-0.8 12,-0.2 -0.559 25.6 157.8 -90.4 69.1 41.1 45.8 88.6 50 51 A D H > + 0 0 80 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.903 69.1 47.7 -61.8 -48.2 42.2 44.0 91.8 51 52 A D H > S+ 0 0 59 260,-0.3 4,-0.9 -3,-0.2 -1,-0.2 0.802 113.7 48.7 -68.3 -29.9 45.4 46.0 92.4 52 53 A L H > S+ 0 0 3 259,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.786 109.3 54.1 -76.0 -29.2 43.6 49.3 91.8 53 54 A A H X>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 4,-1.2 0.941 108.6 48.0 -65.3 -48.3 40.9 48.1 94.2 54 55 A N H <5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.754 112.9 49.1 -63.9 -27.6 43.5 47.4 96.9 55 56 A L H <5S+ 0 0 45 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.815 112.1 47.6 -80.4 -31.6 45.0 50.9 96.3 56 57 A F H <5S- 0 0 7 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.593 115.7-112.0 -87.6 -13.7 41.7 52.7 96.5 57 58 A G T <5S+ 0 0 28 -4,-1.2 295,-0.2 1,-0.3 2,-0.2 0.640 78.9 110.8 93.2 17.4 40.6 50.9 99.7 58 59 A V S + c 0 358A 6 -20,-3.0 3,-1.3 -2,-0.7 294,-0.1 -0.652 26.8 171.3 -90.5 86.3 34.7 46.9 78.6 66 67 A E G > + 0 0 0 292,-2.2 3,-1.0 -2,-1.4 295,-0.2 0.403 63.0 87.0 -78.6 4.4 32.2 48.0 76.0 67 68 A S G 3 S+ 0 0 17 293,-0.3 6,-0.4 1,-0.2 -1,-0.3 0.599 85.5 58.7 -70.9 -10.8 35.0 48.9 73.6 68 69 A K G < + 0 0 120 -3,-1.3 2,-1.1 5,-0.1 -1,-0.2 0.424 67.6 129.9 -97.7 -2.6 34.8 45.2 72.5 69 70 A R S X S- 0 0 0 -3,-1.0 3,-1.7 2,-0.1 5,-0.5 -0.368 92.3 -65.1 -63.5 93.2 31.1 45.4 71.4 70 71 A F T 3 S- 0 0 46 -2,-1.1 3,-0.2 -28,-0.3 -30,-0.1 -0.398 96.6 -46.5 52.0-128.7 31.6 43.9 68.0 71 72 A G T 3 S+ 0 0 63 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.211 118.1 95.2-112.0 15.2 33.8 46.2 66.0 72 73 A L S < S- 0 0 10 -3,-1.7 -2,-0.1 2,-0.2 -1,-0.1 0.590 80.6-137.4 -86.6 -12.8 31.9 49.4 66.9 73 74 A N S S+ 0 0 29 -6,-0.4 288,-2.8 -4,-0.3 2,-0.3 0.589 76.5 64.3 67.3 12.5 34.2 50.4 69.8 74 75 A A B S-G 360 0B 2 -5,-0.5 3,-0.2 286,-0.2 286,-0.2 -0.955 81.0-121.2-155.2 170.7 31.1 51.4 71.9 75 76 A F S > S+ 0 0 0 284,-1.7 3,-2.7 -2,-0.3 4,-0.3 0.688 86.5 93.1 -88.4 -22.8 28.0 49.9 73.6 76 77 A K T >> + 0 0 1 283,-0.3 3,-2.0 1,-0.3 4,-1.3 0.780 69.6 75.1 -48.7 -39.0 25.4 52.0 71.8 77 78 A M H 3> S+ 0 0 2 1,-0.3 4,-1.9 -3,-0.2 5,-0.4 0.776 84.6 67.7 -37.0 -39.9 24.9 49.4 69.1 78 79 A L H <4 S+ 0 0 0 -3,-2.7 4,-0.4 2,-0.2 -1,-0.3 0.813 107.8 35.0 -59.0 -36.9 23.0 47.3 71.6 79 80 A G H X> S+ 0 0 0 -3,-2.0 4,-2.3 -4,-0.3 3,-0.6 0.960 117.3 47.7 -80.7 -61.3 20.1 49.8 71.7 80 81 A G H 3X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.859 112.1 48.3 -49.3 -49.4 19.8 51.0 68.1 81 82 A A H 3X S+ 0 0 4 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.799 112.5 49.9 -65.9 -31.4 20.0 47.6 66.4 82 83 A Y H <> S+ 0 0 7 -3,-0.6 4,-2.5 -4,-0.4 -2,-0.2 0.912 111.8 46.5 -72.9 -44.7 17.3 46.2 68.7 83 84 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.889 112.3 51.1 -64.8 -41.3 14.9 49.1 68.2 84 85 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.896 112.4 46.6 -62.6 -41.2 15.5 48.9 64.4 85 86 A A H X S+ 0 0 15 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.881 114.0 48.0 -68.0 -38.7 14.8 45.2 64.5 86 87 A Q H X S+ 0 0 39 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.867 108.2 55.1 -66.6 -38.5 11.7 45.7 66.7 87 88 A L H X S+ 0 0 29 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.869 113.1 41.6 -63.7 -39.5 10.4 48.5 64.4 88 89 A L H X S+ 0 0 35 -4,-1.6 4,-3.2 2,-0.2 -2,-0.2 0.869 110.1 56.6 -74.9 -40.3 10.6 46.2 61.4 89 90 A C H <>S+ 0 0 27 -4,-2.2 5,-2.6 1,-0.2 -2,-0.2 0.730 112.0 45.2 -64.1 -22.9 9.1 43.2 63.3 90 91 A E H ><5S+ 0 0 100 -4,-1.3 3,-0.8 3,-0.2 -2,-0.2 0.880 116.8 42.9 -80.9 -46.2 6.1 45.5 64.1 91 92 A K H 3<5S+ 0 0 96 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.821 121.9 39.2 -71.5 -33.3 5.8 46.8 60.5 92 93 A Y T 3<5S- 0 0 121 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.1 0.027 109.8-118.1-109.0 25.7 6.3 43.4 58.8 93 94 A H T < 5 + 0 0 169 -3,-0.8 2,-0.3 1,-0.1 -3,-0.2 0.884 61.4 140.3 39.8 73.7 4.3 41.4 61.4 94 95 A L < - 0 0 125 -5,-2.6 2,-0.4 -6,-0.0 -1,-0.1 -0.840 53.1-106.6-135.0 172.1 6.9 39.0 62.7 95 96 A D > - 0 0 117 -2,-0.3 3,-1.3 1,-0.1 -5,-0.0 -0.867 21.8-135.4-102.1 137.7 8.2 37.4 65.9 96 97 A I T 3 S+ 0 0 41 -2,-0.4 -1,-0.1 1,-0.3 -7,-0.0 0.640 99.3 70.5 -66.1 -16.2 11.5 38.6 67.5 97 98 A E T 3 S+ 0 0 72 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.771 89.5 67.6 -72.3 -28.6 12.7 35.0 68.0 98 99 A T < - 0 0 71 -3,-1.3 2,-0.3 1,-0.1 -1,-0.1 -0.858 61.2-176.8 -97.5 124.2 13.2 34.5 64.3 99 100 A L + 0 0 61 -2,-0.5 2,-0.2 -62,-0.0 -3,-0.1 -0.518 11.8 172.7-121.6 62.7 16.1 36.6 62.8 100 101 A S 0 0 100 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.459 360.0 360.0 -73.2 140.9 16.1 35.9 59.1 101 102 A F 0 0 142 -2,-0.2 -1,-0.1 0, 0.0 23,-0.1 -0.089 360.0 360.0-133.3 360.0 18.4 37.9 56.8 102 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 103 113 A M 0 0 163 0, 0.0 24,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -20.5 13.4 51.6 54.8 104 114 A T E -h 127 0C 19 69,-0.2 71,-2.5 22,-0.2 2,-0.5 -0.997 360.0-157.8-138.6 133.2 15.4 54.7 56.0 105 115 A F E -hi 128 175C 4 22,-1.8 24,-1.8 -2,-0.4 2,-0.3 -0.936 8.1-166.6-117.8 125.0 16.5 55.6 59.6 106 116 A A E +hi 129 176C 0 69,-2.1 71,-2.6 -2,-0.5 2,-0.3 -0.849 16.9 149.3-112.9 144.2 17.3 59.1 60.7 107 117 A T E -h 130 0C 0 22,-1.3 24,-2.8 -2,-0.3 2,-0.4 -0.977 38.1-124.0-165.1 153.8 19.0 60.3 63.9 108 118 A T E +h 131 0C 9 -2,-0.3 71,-0.3 22,-0.2 2,-0.3 -0.890 37.8 164.0-101.2 136.5 21.2 62.9 65.5 109 119 A T - 0 0 3 22,-2.5 -2,-0.0 -2,-0.4 69,-0.0 -0.995 43.1-149.9-149.2 148.0 24.4 61.8 67.2 110 120 A D S S- 0 0 22 658,-1.3 27,-0.3 -2,-0.3 22,-0.1 0.271 86.2 -56.2 -95.3 8.4 27.7 63.3 68.5 111 121 A G S > S+ 0 0 5 657,-0.5 4,-1.1 25,-0.1 3,-0.0 -0.430 118.6 45.1 165.3 -80.6 29.3 59.9 67.8 112 122 A N H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.869 103.2 54.8 -73.5 -44.4 28.3 56.4 69.0 113 123 A H H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.872 110.1 47.7 -59.8 -42.6 24.5 56.2 68.7 114 124 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.833 107.9 55.5 -67.6 -35.7 24.5 57.1 65.0 115 125 A R H X S+ 0 0 54 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.887 108.4 49.3 -62.2 -39.4 27.3 54.6 64.3 116 126 A G H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.910 113.3 45.5 -63.5 -45.0 25.1 51.9 65.9 117 127 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.837 113.9 49.9 -67.0 -36.5 22.1 53.0 63.7 118 128 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.904 111.4 48.4 -67.8 -43.8 24.4 53.1 60.6 119 129 A W H X S+ 0 0 32 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.872 111.8 48.7 -64.2 -42.1 25.8 49.6 61.4 120 130 A A H X S+ 0 0 1 -4,-2.0 4,-1.2 2,-0.2 6,-0.2 0.864 109.4 52.7 -67.5 -38.2 22.3 48.1 61.9 121 131 A A H <>S+ 0 0 2 -4,-1.7 5,-0.9 2,-0.2 3,-0.3 0.906 110.6 47.3 -63.2 -44.5 21.0 49.7 58.6 122 132 A Q H ><5S+ 0 0 100 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.907 110.6 52.8 -61.2 -44.6 23.9 48.2 56.7 123 133 A Q H 3<5S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 116.0 39.6 -63.8 -25.9 23.3 44.8 58.3 124 134 A L T 3<5S- 0 0 82 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.147 110.9-115.8-114.0 16.3 19.6 44.9 57.3 125 135 A G T < 5S+ 0 0 69 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.317 75.2 124.7 71.2 -8.5 20.1 46.4 53.8 126 136 A Q < - 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0 0 32 -4,-1.4 3,-0.4 -5,-0.2 4,-0.2 0.497 22.4-104.5 71.0 139.6 16.9 45.5 94.6 240 250 A P S S+ 0 0 8 0, 0.0 3,-0.3 0, 0.0 5,-0.2 0.710 119.3 54.9 -63.0 -21.9 17.0 49.4 94.6 241 251 A Q S S+ 0 0 120 1,-0.2 -2,-0.1 -6,-0.2 -6,-0.0 0.776 108.1 43.9 -84.8 -32.0 17.8 49.3 98.3 242 252 A N S S+ 0 0 128 -3,-0.4 2,-0.4 -4,-0.4 -1,-0.2 0.118 101.2 74.7-106.8 19.7 20.9 47.0 98.3 243 253 A L S S- 0 0 3 -3,-0.3 2,-1.3 -4,-0.2 -27,-0.2 -0.962 70.4-147.6-132.8 114.7 22.7 48.6 95.3 244 254 A H E -d 216 0A 35 -29,-3.4 -27,-1.9 -2,-0.4 2,-0.5 -0.681 23.7-167.4 -84.2 93.7 24.4 52.0 95.8 245 255 A S E -d 217 0A 0 -2,-1.3 46,-2.2 43,-0.3 45,-1.0 -0.726 8.0-168.7 -91.7 128.0 23.9 53.5 92.4 246 256 A I E -df 218 291A 1 -29,-3.0 -27,-2.6 -2,-0.5 2,-0.5 -0.959 8.8-153.0-119.8 117.0 25.9 56.7 91.6 247 257 A I E -df 219 292A 1 44,-2.4 46,-3.7 -2,-0.5 2,-0.5 -0.785 13.6-156.0 -91.2 127.9 25.0 58.7 88.4 248 258 A V E +df 220 293A 0 -29,-2.6 -27,-2.2 -2,-0.5 46,-0.2 -0.915 16.6 171.0-113.6 120.3 27.9 60.6 87.0 249 259 A E E - 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0 0 1 1,-0.1 3,-1.8 3,-0.1 4,-0.3 -0.090 360.0-120.6 -39.3 109.3 33.0 65.3 76.5 270 287 A A T 3 S+ 0 0 29 1,-0.2 52,-0.3 2,-0.2 -1,-0.1 -0.310 96.0 37.7 -58.6 132.5 30.9 64.2 73.5 271 288 A G T 3 S+ 0 0 0 497,-0.2 -48,-0.3 -3,-0.1 -1,-0.2 -0.088 107.9 63.7 114.1 -32.6 28.3 61.7 74.6 272 289 A L S < S+ 0 0 0 -3,-1.8 -2,-0.2 -50,-0.2 -3,-0.1 0.371 70.6 118.2-108.3 2.1 27.4 63.2 77.9 273 290 A A + 0 0 36 -4,-0.3 -20,-0.1 -5,-0.1 -163,-0.1 -0.348 34.8 165.5 -62.4 150.3 26.0 66.5 76.6 274 291 A a + 0 0 10 -51,-0.1 2,-1.7 1,-0.1 -1,-0.1 0.590 25.7 171.4-133.4 -76.9 22.4 67.0 77.6 275 292 A G S S+ 0 0 48 -53,-0.1 -1,-0.1 -117,-0.0 -52,-0.0 -0.657 88.1 24.2 78.9 -81.0 20.3 70.1 77.5 276 293 A E S S- 0 0 58 -2,-1.7 -20,-0.1 -11,-0.0 2,-0.0 -0.970 87.7-125.7-118.9 128.5 17.1 68.2 78.2 277 294 A P - 0 0 8 0, 0.0 -53,-0.1 0, 0.0 -54,-0.1 -0.333 29.7-102.4 -69.3 148.8 17.0 64.8 80.0 278 295 A N > - 0 0 0 -55,-2.4 4,-3.2 1,-0.1 3,-0.2 -0.627 27.5-147.3 -70.8 118.6 15.3 61.7 78.6 279 296 A P H > S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.837 96.9 52.1 -61.5 -37.4 12.0 61.4 80.5 280 297 A L H > S+ 0 0 33 2,-0.2 4,-0.8 1,-0.2 -56,-0.1 0.881 116.1 41.2 -63.4 -40.4 12.0 57.6 80.3 281 298 A G H >> S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 3,-0.8 0.947 112.6 53.3 -71.4 -51.0 15.5 57.5 81.8 282 299 A W H 3X S+ 0 0 14 -4,-3.2 4,-3.8 -59,-0.3 5,-0.3 0.905 102.4 58.8 -49.2 -51.9 14.9 60.2 84.4 283 300 A E H 3X S+ 0 0 44 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.826 109.5 43.9 -49.4 -40.3 11.9 58.5 85.8 284 301 A I H > - 0 0 61 -290,-2.6 3,-1.6 -2,-0.3 4,-0.5 -0.226 35.9-112.5 -64.7 151.9 34.8 68.5 86.6 297 314 A D H >> S+ 0 0 63 1,-0.3 3,-1.2 2,-0.2 4,-1.0 0.869 114.3 59.8 -49.8 -45.1 35.9 67.9 83.0 298 315 A S H 3> S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.571 87.5 75.1 -69.7 -9.1 39.4 66.7 84.0 299 316 A V H <> S+ 0 0 0 -3,-1.6 4,-1.8 2,-0.2 -1,-0.3 0.881 97.1 47.8 -68.5 -38.3 37.9 63.8 86.1 300 317 A A H S- 0 0 65 4,-0.1 3,-2.2 -5,-0.1 -260,-0.3 -0.713 76.0 -23.2 -99.8 147.1 48.3 49.7 88.3 312 329 A G T 3 S- 0 0 39 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.331 126.2 -29.3 58.4-122.3 50.2 46.6 89.4 313 330 A N T 3 S+ 0 0 156 -2,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.186 94.9 139.2-112.0 14.1 49.2 43.7 87.1 314 331 A D < - 0 0 13 -3,-2.2 -265,-0.1 1,-0.1 2,-0.1 -0.176 62.2 -94.8 -59.0 150.0 45.6 44.8 86.3 315 332 A P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.425 40.5-118.1 -67.9 142.2 44.3 44.4 82.8 316 333 A R - 0 0 69 -2,-0.1 2,-0.4 -6,-0.1 -8,-0.2 -0.569 28.8-164.4 -81.6 142.1 44.7 47.4 80.5 317 334 A I - 0 0 1 -10,-2.7 2,-0.7 -2,-0.2 -8,-0.1 -0.997 17.3-139.3-132.0 132.1 41.5 49.0 79.1 318 335 A I + 0 0 34 -2,-0.4 2,-0.4 -10,-0.1 -251,-0.1 -0.814 35.1 174.2 -88.5 113.5 41.1 51.5 76.3 319 336 A S - 0 0 0 -2,-0.7 42,-0.3 -15,-0.3 -11,-0.1 -0.985 20.7-142.2-133.4 127.4 38.5 54.1 77.4 320 337 A G > - 0 0 3 40,-1.4 4,-1.9 -2,-0.4 3,-0.5 -0.168 39.5 -88.4 -81.3 176.1 37.2 57.3 75.8 321 338 A E T 4 S+ 0 0 26 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.894 129.5 36.2 -56.1 -48.9 36.3 60.6 77.5 322 339 A S T 4 S+ 0 0 0 -52,-0.3 -1,-0.3 1,-0.2 37,-0.2 0.673 117.2 57.3 -74.6 -18.7 32.6 59.6 78.1 323 340 A G T 4 S+ 0 0 0 -3,-0.5 36,-0.5 38,-0.2 3,-0.2 0.764 107.6 42.1 -81.9 -26.6 33.6 56.0 78.8 324 341 A A S X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.2 0.414 80.7 97.6-107.4 -0.5 36.1 56.5 81.6 325 342 A V H > S+ 0 0 0 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.774 81.6 54.4 -68.1 -29.9 34.4 59.2 83.9 326 343 A G H > S+ 0 0 0 31,-0.3 4,-1.3 -3,-0.2 -1,-0.2 0.929 112.9 43.1 -67.1 -46.5 32.9 56.7 86.4 327 344 A L H > S+ 0 0 0 -4,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.860 110.1 58.5 -65.3 -37.4 36.3 55.2 87.0 328 345 A G H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.873 98.3 58.9 -58.8 -42.5 37.7 58.7 87.1 329 346 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.945 106.1 48.6 -51.1 -52.4 35.4 59.6 90.0 330 347 A L H X S+ 0 0 8 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.864 114.3 46.0 -55.2 -41.6 36.9 56.8 92.0 331 348 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.884 111.9 50.3 -70.4 -40.1 40.4 58.0 91.1 332 349 A A H < S+ 0 0 0 -4,-3.4 4,-0.4 1,-0.2 -327,-0.3 0.833 110.1 51.7 -65.1 -34.6 39.6 61.7 91.9 333 350 A V H >< S+ 0 0 1 -4,-2.4 3,-0.6 -5,-0.2 -1,-0.2 0.874 105.6 56.0 -68.2 -38.9 38.2 60.6 95.2 334 351 A H H 3< S+ 0 0 39 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 113.1 38.6 -61.8 -41.7 41.4 58.7 96.1 335 352 A Y T 3< S+ 0 0 35 -4,-1.5 -332,-2.0 4,-0.1 -1,-0.2 0.410 92.2 110.0 -93.1 0.6 43.7 61.7 95.6 336 353 A H S X S- 0 0 20 -3,-0.6 3,-1.7 -4,-0.4 -332,-0.2 -0.528 72.3-131.8 -75.4 139.7 41.3 64.2 97.2 337 354 A P T 3 S+ 0 0 73 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.870 111.3 53.6 -58.9 -33.4 42.3 65.7 100.5 338 355 A Q T 3> S+ 0 0 108 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.010 71.9 130.3 -87.5 27.4 38.8 65.0 101.7 339 356 A R H <> + 0 0 83 -3,-1.7 4,-3.3 1,-0.2 5,-0.3 0.901 67.2 54.0 -46.2 -53.5 39.1 61.3 100.6 340 357 A Q H > S+ 0 0 56 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.911 114.0 39.4 -50.3 -53.2 37.8 60.0 104.0 341 358 A S H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.789 115.8 52.3 -72.4 -29.2 34.6 62.0 104.0 342 359 A L H X S+ 0 0 23 -4,-2.4 4,-1.8 2,-0.2 6,-0.2 0.924 110.2 48.1 -70.4 -45.5 34.1 61.4 100.2 343 360 A M H <>S+ 0 0 16 -4,-3.3 5,-2.5 -5,-0.2 -2,-0.2 0.862 113.2 48.8 -59.1 -39.4 34.5 57.7 100.6 344 361 A E H ><5S+ 0 0 152 -4,-1.9 3,-1.6 -5,-0.3 -2,-0.2 0.937 108.4 52.4 -68.2 -47.1 32.0 57.7 103.5 345 362 A K H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 114.4 43.0 -54.4 -39.3 29.4 59.8 101.7 346 363 A L T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.363 111.6-124.2 -88.8 4.9 29.6 57.2 98.8 347 364 A A T < 5 + 0 0 41 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.717 56.1 157.6 55.5 26.3 29.5 54.4 101.3 348 365 A L < + 0 0 10 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.708 10.2 141.2 -84.1 123.3 32.8 53.1 99.7 349 366 A N > - 0 0 78 -2,-0.5 3,-2.1 -3,-0.1 -290,-0.5 -0.823 67.6 -68.0-148.2-176.0 34.8 50.9 102.1 350 367 A K T 3 S+ 0 0 69 1,-0.3 -292,-0.1 -2,-0.2 -293,-0.1 0.660 131.3 48.3 -56.5 -18.3 37.0 47.8 102.3 351 368 A D T 3 S+ 0 0 124 -293,-0.1 -1,-0.3 -292,-0.1 2,-0.2 0.473 82.5 121.4-101.2 -5.7 33.9 45.6 101.5 352 369 A A < - 0 0 2 -3,-2.1 -293,-1.9 -295,-0.2 -292,-1.6 -0.414 44.9-163.0 -65.9 125.1 32.7 47.7 98.5 353 370 A V E -c 60 0A 14 -294,-0.2 -137,-2.4 -2,-0.2 -138,-1.7 -0.970 16.9-158.8-107.7 116.0 32.4 45.8 95.2 354 371 A V E -ce 61 216A 0 -294,-3.6 -292,-3.5 -2,-0.6 2,-0.5 -0.882 12.1-160.3-112.6 117.8 32.2 48.4 92.5 355 372 A L E -ce 62 217A 2 -139,-1.8 -137,-1.9 -2,-0.6 2,-0.4 -0.802 14.4-175.8 -88.3 130.6 30.8 47.9 89.0 356 373 A V E -ce 63 218A 1 -294,-3.5 -292,-3.0 -2,-0.5 2,-0.7 -0.981 17.4-142.6-125.5 142.2 32.0 50.4 86.4 357 374 A I E -c 64 0A 1 -139,-0.8 2,-1.2 -2,-0.4 -31,-0.3 -0.904 2.5-160.4-108.0 109.6 30.8 50.7 82.7 358 375 A S E -c 65 0A 1 -294,-2.3 -292,-2.2 -2,-0.7 -291,-0.2 -0.767 15.6-173.1 -81.0 96.9 33.5 51.7 80.2 359 376 A T + 0 0 0 -2,-1.2 -284,-1.7 -36,-0.5 -283,-0.3 0.673 57.7 10.3 -76.4 -19.4 31.0 52.8 77.6 360 377 A E B -G 74 0B 2 -286,-0.2 -40,-1.4 -40,-0.2 -293,-0.3 -0.986 59.7-141.5-152.0 160.2 33.4 53.4 74.8 361 378 A G - 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0 0 0 -4,-1.7 -45,-0.1 -5,-0.5 -280,-0.1 -0.545 48.9-160.8 -69.3 130.0 78.6 59.5 69.1 676 307 B T + 0 0 35 -47,-1.3 -283,-2.7 -2,-0.3 2,-0.3 0.926 67.1 1.5 -76.4 -48.5 77.0 60.8 66.0 677 308 B Q E -Lq 392 630E 3 -48,-2.1 -46,-2.6 -285,-0.2 2,-0.4 -0.946 57.6-142.3-142.2 156.7 74.8 63.5 67.6 678 309 B F E -Lq 391 631E 0 -287,-2.8 -287,-2.7 -2,-0.3 2,-0.5 -0.964 15.1-158.0-119.3 140.5 74.0 65.0 71.0 679 310 B I E -Lq 390 632E 1 -48,-3.3 -46,-2.3 -2,-0.4 2,-0.6 -0.979 7.1-166.2-122.7 122.3 70.5 66.2 72.0 680 311 B S E +Lq 389 633E 3 -291,-2.2 -291,-2.7 -2,-0.5 2,-0.3 -0.940 28.5 177.3 -99.9 122.5 69.6 68.7 74.7 681 312 B C E -Lq 388 634E 0 -48,-2.3 -46,-2.0 -2,-0.6 -293,-0.2 -0.918 31.4 -97.5-134.9 156.5 65.9 68.4 75.5 682 313 B Q >> - 0 0 73 -295,-2.3 3,-1.5 -2,-0.3 4,-0.6 -0.249 35.5-117.5 -62.4 148.9 63.1 69.7 77.8 683 314 B D H >> S+ 0 0 34 1,-0.3 3,-1.3 2,-0.2 4,-1.1 0.881 112.2 64.6 -55.1 -43.0 62.0 67.8 80.9 684 315 B S H 3> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.626 88.3 70.9 -58.0 -17.1 58.5 67.3 79.5 685 316 B V H <> S+ 0 0 0 -3,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.897 98.9 46.8 -67.5 -41.3 60.1 65.1 76.7 686 317 B A H S- 0 0 66 4,-0.1 3,-2.4 -5,-0.1 -265,-0.3 -0.612 75.9 -28.4 -88.0 149.6 49.8 52.4 70.4 698 329 B G T 3 S- 0 0 40 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.195 127.1 -23.2 47.7-121.6 47.8 49.8 68.6 699 330 B N T 3 S+ 0 0 156 2,-0.0 -1,-0.3 0, 0.0 -268,-0.1 0.198 96.9 137.0-104.3 13.4 48.7 46.3 69.7 700 331 B D < - 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0 0 24 -3,-0.6 -389,-0.2 2,-0.2 -1,-0.1 -0.299 39.6-110.1 -74.4 162.1 52.2 67.9 80.2 765 396 B V 0 0 24 -391,-2.3 -390,-0.1 1,-0.1 -380,-0.1 0.869 360.0 360.0 -61.4 -40.1 53.0 69.1 76.7 766 397 B A 0 0 127 -392,-0.4 -2,-0.2 -391,-0.1 -1,-0.1 -0.832 360.0 360.0 -99.1 360.0 50.7 72.2 77.2 767 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 768 401 A X 0 0 13 0, 0.0 -658,-1.3 0, 0.0 -657,-0.5 0.000 360.0 360.0 360.0 360.0 25.5 60.1 72.7 769 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 770 401 B X 0 0 4 0, 0.0 -273,-2.8 0, 0.0 -274,-0.4 0.000 360.0 360.0 360.0 360.0 72.6 57.4 88.5