==== 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 HYDROLASE 11-AUG-07 2QXF . COMPND 2 MOLECULE: EXODEOXYRIBONUCLEASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.D.BUSAM . 433 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.7 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 0.5 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 . 26 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 1 1 4 0 1 0 2 2 2 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 7 A Q 0 0 191 0, 0.0 2,-0.3 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 -58.7 5.5 16.0 33.4 2 8 A Q - 0 0 142 87,-0.1 2,-0.3 1,-0.0 0, 0.0 -0.774 360.0-102.0 -90.7 150.3 4.6 17.5 30.0 3 9 A S + 0 0 65 -2,-0.3 29,-0.5 88,-0.1 2,-0.3 -0.564 51.4 176.5 -69.9 130.6 7.1 17.1 27.1 4 10 A T E -a 91 0A 15 86,-2.5 88,-2.5 -2,-0.3 2,-0.4 -0.887 27.8-131.7-132.2 163.7 9.0 20.3 26.6 5 11 A F E -aB 92 30A 9 25,-2.2 25,-2.8 -2,-0.3 2,-0.6 -0.950 11.0-159.2-110.2 138.1 11.8 21.7 24.4 6 12 A L E -aB 93 29A 1 86,-2.7 88,-2.3 -2,-0.4 2,-0.3 -0.914 10.9-162.7-117.2 102.2 14.6 23.7 25.9 7 13 A F E +aB 94 28A 0 21,-2.2 21,-2.1 -2,-0.6 2,-0.3 -0.652 21.7 165.9 -79.7 135.3 16.2 25.8 23.2 8 14 A H E - B 0 27A 1 86,-1.8 88,-0.4 -2,-0.3 2,-0.3 -0.967 21.2-176.1-150.3 165.5 19.6 27.1 24.2 9 15 A D E - B 0 26A 23 17,-2.2 17,-2.4 -2,-0.3 2,-0.3 -0.934 14.1-142.6-163.1 138.0 22.8 28.6 23.0 10 16 A Y E - B 0 25A 5 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.824 2.0-155.3 -99.0 144.3 26.3 29.6 24.3 11 17 A E E - B 0 24A 40 13,-2.5 12,-2.8 -2,-0.3 13,-2.4 -0.967 30.8-174.2-105.1 137.2 28.4 32.6 23.5 12 18 A T E - B 0 22A 15 -2,-0.4 49,-0.2 10,-0.3 51,-0.1 -0.748 40.2-117.8-128.2 169.9 32.0 31.7 24.3 13 19 A F S S- 0 0 0 8,-2.9 41,-2.8 -2,-0.2 44,-0.3 0.269 94.7 -11.0 -92.9 10.2 35.5 33.1 24.4 14 20 A G S S- 0 0 3 7,-0.2 -1,-0.1 39,-0.2 6,-0.1 -0.951 73.0 -94.0 172.2 178.7 36.7 30.8 21.7 15 21 A T S S+ 0 0 125 -2,-0.3 -1,-0.0 -3,-0.1 3,-0.0 0.570 87.5 97.5 -92.7 -6.5 35.9 27.7 19.6 16 22 A H > - 0 0 84 1,-0.2 4,-2.1 2,-0.1 -3,-0.1 -0.728 61.0-156.4 -82.9 115.8 37.6 25.0 21.7 17 23 A P T 4 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 91,-0.1 0.726 91.2 30.8 -67.5 -20.0 34.8 23.5 23.9 18 24 A A T 4 S+ 0 0 8 90,-0.1 310,-0.1 3,-0.1 -2,-0.1 0.817 126.4 37.9 -95.7 -44.9 37.3 22.3 26.5 19 25 A L T 4 S+ 0 0 64 308,-0.1 2,-0.2 2,-0.1 308,-0.1 0.586 107.3 65.8 -97.4 -13.6 40.1 24.8 26.5 20 26 A D S < S- 0 0 17 -4,-2.1 -6,-0.1 -6,-0.1 31,-0.0 -0.660 82.1-122.9 -96.9 164.4 38.1 28.0 25.9 21 27 A R - 0 0 15 -2,-0.2 -8,-2.9 27,-0.0 -7,-0.2 -0.824 20.0-111.7-111.7 145.2 35.7 29.4 28.5 22 28 A P E -B 12 0A 2 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.402 23.8-174.1 -70.9 152.5 32.0 30.1 28.1 23 29 A A E + 0 0 0 -12,-2.8 22,-2.1 1,-0.4 2,-0.3 0.755 64.5 3.2-107.7 -43.8 30.8 33.8 28.3 24 30 A Q E -BC 11 44A 12 -13,-2.4 -13,-2.5 20,-0.3 2,-0.4 -0.996 52.0-154.5-151.5 142.6 27.0 33.6 28.2 25 31 A F E -BC 10 43A 0 18,-2.8 18,-2.3 -2,-0.3 2,-0.4 -0.977 14.8-175.2-117.9 136.6 24.2 31.0 28.2 26 32 A A E +BC 9 42A 2 -17,-2.4 -17,-2.2 -2,-0.4 2,-0.3 -0.995 13.0 154.5-131.6 140.9 20.8 31.8 26.8 27 33 A A E -BC 8 41A 0 14,-2.0 14,-2.8 -2,-0.4 2,-0.3 -0.992 19.6-171.7-157.9 156.0 17.7 29.5 26.8 28 34 A I E -B 7 0A 1 -21,-2.1 -21,-2.2 -2,-0.3 2,-0.4 -0.974 21.4-129.7-151.8 147.6 13.9 29.3 26.8 29 35 A R E -B 6 0A 32 -2,-0.3 8,-2.4 10,-0.3 9,-2.0 -0.776 23.6-176.3 -99.3 136.0 11.4 26.6 27.3 30 36 A T E -BD 5 36A 0 -25,-2.8 -25,-2.2 -2,-0.4 6,-0.2 -0.861 26.6-111.4-120.4 160.6 8.6 25.7 24.9 31 37 A D > - 0 0 44 4,-2.5 3,-1.9 -2,-0.3 -27,-0.2 -0.150 53.4 -82.2 -73.6-176.3 5.7 23.3 24.9 32 38 A S T 3 S+ 0 0 65 -29,-0.5 -28,-0.1 1,-0.3 -1,-0.1 0.614 133.1 53.1 -65.8 -11.7 5.6 20.3 22.4 33 39 A E T 3 S- 0 0 109 2,-0.1 -1,-0.3 -28,-0.0 3,-0.1 0.214 121.1-104.9-106.6 7.4 4.2 22.8 19.8 34 40 A F S < S+ 0 0 3 -3,-1.9 2,-0.5 1,-0.3 -2,-0.1 0.592 70.1 147.8 72.7 16.7 7.0 25.4 20.2 35 41 A N - 0 0 88 1,-0.1 -4,-2.5 2,-0.0 -1,-0.3 -0.699 56.6-112.2 -74.7 126.7 4.8 27.9 22.1 36 42 A V B +D 30 0A 74 -2,-0.5 -6,-0.3 -6,-0.2 -1,-0.1 -0.473 48.1 160.3 -64.2 123.6 7.0 29.8 24.6 37 43 A I + 0 0 98 -8,-2.4 -7,-0.2 -2,-0.3 -1,-0.2 0.532 54.2 64.1-118.3 -19.5 6.0 28.7 28.2 38 44 A G S S- 0 0 22 -9,-2.0 3,-0.0 1,-0.1 -10,-0.0 -0.464 82.7-105.8-100.2 173.4 9.2 29.8 30.1 39 45 A E - 0 0 149 -2,-0.2 -10,-0.3 1,-0.1 2,-0.1 -0.684 50.9 -86.7 -89.6 152.4 10.9 33.1 30.9 40 46 A P - 0 0 60 0, 0.0 2,-0.6 0, 0.0 -12,-0.2 -0.425 40.0-153.4 -59.5 135.2 14.1 34.0 29.0 41 47 A E E +C 27 0A 70 -14,-2.8 -14,-2.0 -2,-0.1 2,-0.4 -0.959 27.1 159.9-112.8 107.9 17.1 32.5 30.9 42 48 A V E +C 26 0A 51 -2,-0.6 2,-0.3 -16,-0.2 -16,-0.2 -0.993 5.8 149.3-135.0 124.3 20.2 34.6 30.2 43 49 A F E -C 25 0A 18 -18,-2.3 -18,-2.8 -2,-0.4 2,-0.2 -0.992 31.7-123.8-156.8 163.9 23.3 34.6 32.3 44 50 A Y E -C 24 0A 40 27,-0.5 29,-1.8 -2,-0.3 2,-0.5 -0.674 12.2-135.6-110.5 156.4 27.1 35.1 32.3 45 51 A C B -f 73 0B 2 -22,-2.1 29,-0.2 27,-0.3 27,-0.1 -0.969 18.8-133.2-115.0 120.8 30.1 33.1 33.4 46 52 A K - 0 0 82 27,-3.0 29,-0.4 -2,-0.5 2,-0.3 -0.584 25.9-132.8 -66.0 120.3 32.9 34.8 35.3 47 53 A P - 0 0 10 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 -0.623 20.3-118.2 -77.0 136.9 36.2 33.6 33.6 48 54 A A > - 0 0 15 -2,-0.3 3,-0.9 1,-0.1 327,-0.1 -0.303 27.1-108.2 -66.6 158.6 39.0 32.5 36.0 49 55 A D T 3 S+ 0 0 63 1,-0.3 -1,-0.1 326,-0.1 326,-0.0 0.220 108.4 76.1 -81.2 16.2 42.2 34.5 36.1 50 56 A D T 3 S+ 0 0 3 346,-0.0 2,-0.4 325,-0.0 -1,-0.3 0.094 91.1 70.0-102.3 17.4 44.3 31.7 34.3 51 57 A Y < - 0 0 16 -3,-0.9 -31,-0.1 -4,-0.1 385,-0.0 -0.994 55.1-163.4-144.7 139.3 42.7 32.5 31.0 52 58 A L - 0 0 11 -2,-0.4 377,-0.0 384,-0.0 -3,-0.0 -0.990 34.0-118.1-116.5 134.7 42.7 35.1 28.2 53 59 A P - 0 0 1 0, 0.0 -39,-0.2 0, 0.0 3,-0.0 -0.287 31.5 -99.5 -67.3 154.4 39.8 35.1 25.7 54 60 A Q >> - 0 0 90 -41,-2.8 4,-1.5 1,-0.1 3,-0.6 -0.635 29.3-140.6 -67.3 122.0 40.5 34.5 22.0 55 61 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.896 100.6 56.9 -52.9 -43.4 40.4 38.1 20.5 56 62 A G H 3> S+ 0 0 32 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.836 104.0 52.2 -54.3 -41.3 38.5 36.7 17.4 57 63 A A H <> S+ 0 0 18 -3,-0.6 4,-2.7 -44,-0.3 3,-0.3 0.912 109.3 48.8 -62.5 -44.8 35.7 35.3 19.5 58 64 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.868 107.0 55.9 -65.8 -38.1 35.1 38.7 21.3 59 65 A L H < S+ 0 0 19 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.823 113.7 42.4 -62.7 -30.5 35.0 40.5 18.0 60 66 A I H < S+ 0 0 142 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.923 123.9 33.0 -76.3 -51.9 32.2 38.2 16.9 61 67 A T H < S- 0 0 34 -4,-2.7 -3,-0.2 -49,-0.2 -2,-0.2 0.796 87.5-141.0 -80.4 -31.2 30.2 38.1 20.2 62 68 A G < + 0 0 36 -4,-2.7 2,-0.7 -5,-0.2 -4,-0.1 0.518 61.2 128.4 73.3 9.7 30.8 41.7 21.4 63 69 A I - 0 0 11 -6,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.881 47.2-154.8-101.0 110.9 31.0 40.2 25.0 64 70 A T > - 0 0 24 -2,-0.7 4,-2.2 -3,-0.1 5,-0.2 -0.402 26.4-117.5 -77.1 156.2 34.2 41.4 26.7 65 71 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.867 117.7 58.1 -60.3 -32.5 35.9 39.4 29.5 66 72 A Q H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 106.9 47.5 -59.0 -43.6 35.2 42.5 31.7 67 73 A E H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.939 113.1 45.8 -67.1 -49.9 31.5 42.2 31.0 68 74 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.891 115.3 48.8 -60.5 -39.5 31.3 38.4 31.7 69 75 A R H < S+ 0 0 75 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.918 116.5 41.1 -65.9 -42.9 33.4 38.9 34.9 70 76 A A H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.825 126.7 32.6 -76.0 -31.7 31.2 41.8 36.2 71 77 A K H < S+ 0 0 123 -4,-2.6 -27,-0.5 -5,-0.2 -1,-0.2 0.546 107.9 85.9-100.1 -12.7 27.8 40.3 35.2 72 78 A G < - 0 0 9 -4,-1.7 2,-0.3 -5,-0.3 -27,-0.3 -0.245 63.3-136.7 -89.2 171.0 28.7 36.6 35.7 73 79 A E B -f 45 0B 68 -29,-1.8 -27,-3.0 1,-0.2 5,-0.1 -0.792 47.7 -80.1-111.1 166.6 28.8 34.0 38.5 74 80 A N > - 0 0 40 -2,-0.3 4,-2.5 -29,-0.2 3,-0.4 -0.163 47.0-103.2 -61.9 162.4 31.6 31.6 38.9 75 81 A E H > S+ 0 0 19 -29,-0.4 4,-3.1 1,-0.2 5,-0.2 0.830 120.9 60.1 -63.2 -32.0 31.6 28.5 36.6 76 82 A A H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 111.3 40.0 -55.9 -46.9 30.3 26.3 39.4 77 83 A A H > S+ 0 0 28 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.860 114.0 53.0 -74.2 -36.2 27.2 28.5 39.8 78 84 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.936 110.4 49.0 -57.3 -50.8 26.8 28.8 36.0 79 85 A A H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.881 108.5 54.2 -57.8 -43.0 27.0 25.0 35.7 80 86 A A H X S+ 0 0 31 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.901 108.4 47.8 -58.3 -43.7 24.3 24.7 38.5 81 87 A R H X S+ 0 0 115 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.913 115.5 44.6 -65.9 -42.8 21.9 27.0 36.7 82 88 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.934 112.1 52.0 -66.2 -47.0 22.4 25.1 33.3 83 89 A H H X S+ 0 0 49 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.877 107.3 53.5 -57.2 -41.6 22.2 21.7 35.1 84 90 A S H < S+ 0 0 75 -4,-2.2 4,-0.2 2,-0.2 -1,-0.2 0.893 112.9 43.4 -56.9 -44.8 18.8 22.7 36.7 85 91 A L H >< S+ 0 0 24 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.908 115.0 48.7 -68.5 -44.5 17.3 23.6 33.3 86 92 A F H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.695 107.1 54.6 -71.1 -22.6 18.6 20.5 31.5 87 93 A T T 3< + 0 0 33 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.324 69.9 122.3-103.0 7.3 17.5 18.0 34.1 88 94 A V S X S- 0 0 59 -3,-0.9 3,-0.7 -4,-0.2 -3,-0.0 -0.547 77.6-100.4 -57.6 126.8 13.8 19.0 34.2 89 95 A P T 3 S+ 0 0 59 0, 0.0 36,-0.2 0, 0.0 -87,-0.1 -0.202 100.5 19.0 -56.9 148.2 12.1 15.6 33.2 90 96 A K T 3 S+ 0 0 63 34,-2.8 -86,-2.5 1,-0.2 2,-0.5 0.768 87.4 151.1 62.8 34.6 10.9 15.1 29.6 91 97 A T E < -a 4 0A 0 -3,-0.7 36,-2.0 33,-0.2 2,-0.7 -0.844 39.3-154.4 -95.7 127.5 13.0 17.9 28.2 92 98 A C E -ae 5 127A 5 -88,-2.5 -86,-2.7 -2,-0.5 2,-0.6 -0.930 18.3-154.8 -93.5 110.2 14.3 17.8 24.6 93 99 A I E +ae 6 128A 0 34,-2.7 36,-1.6 -2,-0.7 2,-0.3 -0.783 29.4 154.8 -88.9 121.5 17.5 20.0 24.9 94 100 A L E +ae 7 129A 0 -88,-2.3 -86,-1.8 -2,-0.6 2,-0.2 -0.953 15.4 150.8-147.1 163.4 18.3 21.5 21.5 95 101 A G E - 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0 0 43 -2,-0.4 -2,-0.0 1,-0.1 6,-0.0 -0.946 13.0-171.0-122.0 146.2 39.5 9.1 44.4 361 399 A V + 0 0 94 -2,-0.3 2,-0.1 -26,-0.0 -1,-0.1 0.787 63.4 91.5-102.0 -42.8 41.3 6.5 42.2 362 400 A D S > S- 0 0 41 1,-0.1 3,-1.3 2,-0.1 4,-0.4 -0.379 75.3-138.9 -59.2 126.2 41.0 8.3 38.8 363 401 A K T 3> S+ 0 0 173 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.592 95.1 65.0 -69.1 -17.6 44.2 10.4 38.4 364 402 A R H 3> S+ 0 0 7 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.776 86.5 72.5 -70.6 -28.5 42.3 13.4 36.9 365 403 A I H <> S+ 0 0 0 -3,-1.3 4,-3.1 1,-0.2 5,-0.2 0.844 89.1 55.6 -69.7 -39.1 40.2 14.1 40.0 366 404 A E H > S+ 0 0 106 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.918 116.0 40.1 -52.1 -48.5 43.1 15.6 42.3 367 405 A K H X S+ 0 0 67 -4,-0.5 4,-2.7 -3,-0.3 5,-0.2 0.886 114.2 52.6 -71.3 -42.1 43.8 18.2 39.5 368 406 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 112.2 46.9 -55.8 -46.5 40.1 18.7 38.7 369 407 A L H X S+ 0 0 36 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.895 111.9 48.4 -66.5 -44.4 39.4 19.4 42.4 370 408 A F H X S+ 0 0 10 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.949 115.0 45.2 -60.9 -49.6 42.3 21.8 42.9 371 409 A N H X S+ 0 0 13 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.890 111.6 54.1 -59.2 -41.3 41.3 23.8 39.7 372 410 A Y H X S+ 0 0 19 -4,-2.5 4,-2.0 -5,-0.2 5,-0.4 0.926 114.3 39.9 -59.2 -47.7 37.7 23.7 40.8 373 411 A R H X S+ 0 0 15 -4,-2.3 4,-2.2 3,-0.2 7,-0.3 0.923 118.3 46.0 -70.1 -45.7 38.6 25.2 44.2 374 412 A A H < S+ 0 0 3 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.874 118.8 41.3 -67.1 -37.8 41.2 27.7 42.9 375 413 A R H < S+ 0 0 36 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.913 129.5 25.8 -74.8 -44.2 39.1 29.0 40.0 376 414 A N H < S+ 0 0 15 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.808 133.9 27.1 -91.3 -35.6 35.7 29.2 41.8 377 415 A F >< + 0 0 36 -4,-2.2 3,-2.3 -5,-0.4 4,-0.2 -0.445 62.3 154.8-130.4 55.6 36.6 29.7 45.5 378 416 A P G > S+ 0 0 76 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.763 71.9 67.1 -62.5 -26.6 40.0 31.4 45.6 379 417 A G G 3 S+ 0 0 82 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.612 95.8 57.5 -60.0 -17.0 39.2 32.9 49.1 380 418 A T G < S+ 0 0 46 -3,-2.3 -1,-0.2 -7,-0.3 2,-0.2 0.458 82.4 109.4 -95.4 -5.9 39.3 29.2 50.5 381 419 A L < - 0 0 15 -3,-1.3 2,-0.1 -4,-0.2 0, 0.0 -0.538 60.6-140.7 -74.9 136.2 42.9 28.5 49.4 382 420 A D > - 0 0 91 -2,-0.2 4,-2.7 1,-0.0 5,-0.2 -0.297 37.9 -89.7 -80.7 176.6 45.6 28.2 52.0 383 421 A Y H > S+ 0 0 159 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.896 127.2 48.4 -59.9 -47.2 49.1 29.7 51.3 384 422 A A H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 113.6 48.9 -58.3 -43.0 50.6 26.5 49.7 385 423 A E H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.892 108.8 53.2 -62.7 -42.1 47.5 26.3 47.5 386 424 A Q H X S+ 0 0 98 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.871 110.3 47.7 -58.3 -40.8 47.8 30.0 46.6 387 425 A Q H X S+ 0 0 89 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.853 109.6 52.6 -69.4 -38.8 51.5 29.3 45.5 388 426 A R H X S+ 0 0 96 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.907 111.0 48.0 -59.2 -45.2 50.3 26.3 43.5 389 427 A W H X S+ 0 0 19 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.892 108.3 53.3 -63.6 -43.2 47.8 28.6 41.7 390 428 A L H X S+ 0 0 98 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.882 110.7 48.1 -56.7 -43.3 50.5 31.3 41.1 391 429 A E H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.888 109.5 52.8 -62.9 -45.1 52.7 28.5 39.4 392 430 A H H X S+ 0 0 44 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.917 109.4 48.5 -55.1 -49.4 49.7 27.3 37.3 393 431 A R H X S+ 0 0 44 -4,-2.4 4,-2.9 1,-0.2 3,-0.4 0.893 110.4 52.1 -61.3 -43.0 49.1 30.9 36.0 394 432 A R H < S+ 0 0 151 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 106.7 53.1 -56.0 -43.1 52.8 31.2 35.2 395 433 A Q H < S+ 0 0 130 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.701 114.8 42.1 -72.4 -22.9 52.7 27.9 33.2 396 434 A V H < S+ 0 0 52 -4,-1.2 2,-2.1 -3,-0.4 -2,-0.2 0.899 110.3 56.2 -78.6 -54.0 49.8 29.3 31.1 397 435 A F S < S+ 0 0 24 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.425 80.6 166.9 -84.6 62.3 51.2 32.8 30.7 398 436 A T > - 0 0 55 -2,-2.1 4,-2.5 -3,-0.3 5,-0.3 -0.323 52.4-105.5 -69.8 155.9 54.5 31.7 29.0 399 437 A P H > S+ 0 0 119 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.890 123.6 49.7 -48.4 -43.5 56.8 34.2 27.3 400 438 A E H > S+ 0 0 166 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.901 111.7 47.8 -63.4 -43.8 55.6 32.8 23.9 401 439 A F H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 113.0 45.8 -64.2 -48.0 51.9 33.1 24.8 402 440 A L H X S+ 0 0 84 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.895 114.5 47.5 -66.3 -42.2 52.0 36.7 26.2 403 441 A Q H X S+ 0 0 114 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.911 112.2 50.9 -61.0 -45.8 54.0 38.0 23.2 404 442 A G H X S+ 0 0 35 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.847 109.2 50.7 -60.0 -40.8 51.7 36.2 20.8 405 443 A Y H X S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.948 111.9 45.7 -65.3 -51.2 48.6 37.7 22.5 406 444 A A H X S+ 0 0 23 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.900 113.2 52.0 -54.4 -46.0 50.0 41.3 22.3 407 445 A D H X S+ 0 0 84 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.900 109.2 49.4 -58.1 -45.7 51.0 40.7 18.7 408 446 A E H X S+ 0 0 60 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.900 111.7 47.9 -62.8 -45.2 47.5 39.5 17.7 409 447 A L H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.913 112.8 48.6 -61.1 -45.1 45.9 42.5 19.4 410 448 A Q H X S+ 0 0 95 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.810 113.4 47.9 -65.0 -35.4 48.3 44.9 17.6 411 449 A M H X S+ 0 0 105 -4,-2.0 4,-2.6 -5,-0.2 3,-0.2 0.923 112.8 47.6 -69.6 -45.0 47.7 43.2 14.3 412 450 A L H X S+ 0 0 13 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.842 106.8 55.6 -67.4 -36.3 43.8 43.2 14.7 413 451 A V H < S+ 0 0 58 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.808 113.9 42.1 -68.9 -29.0 43.7 46.9 15.7 414 452 A Q H >< S+ 0 0 150 -4,-0.9 3,-1.2 -3,-0.2 -2,-0.2 0.905 115.7 49.3 -75.6 -47.3 45.5 47.8 12.4 415 453 A Q H 3< S+ 0 0 113 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.891 122.5 32.7 -56.4 -46.7 43.5 45.3 10.4 416 454 A Y T >< S+ 0 0 80 -4,-3.0 3,-2.1 1,-0.2 7,-0.4 -0.035 78.7 129.9-104.2 26.3 40.1 46.6 11.7 417 455 A A T < S+ 0 0 56 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.767 75.4 48.8 -50.9 -36.2 41.3 50.3 12.2 418 456 A D T 3 S+ 0 0 165 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 0.432 92.2 84.9 -86.1 -4.8 38.1 51.6 10.3 419 457 A D <> - 0 0 47 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.862 60.7-170.7-102.2 98.9 35.7 49.4 12.4 420 458 A K H > S+ 0 0 170 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.829 83.2 51.8 -64.7 -35.4 35.1 51.6 15.4 421 459 A E H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 112.2 46.3 -67.4 -42.9 33.2 48.9 17.4 422 460 A K H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.898 109.9 54.1 -64.7 -42.7 36.0 46.4 16.8 423 461 A V H X S+ 0 0 47 -4,-2.4 4,-2.2 -7,-0.4 -2,-0.2 0.923 109.9 47.5 -56.0 -48.1 38.7 49.0 17.8 424 462 A A H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.883 111.9 49.9 -61.6 -42.7 36.8 49.6 21.1 425 463 A L H X S+ 0 0 30 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.897 110.3 50.4 -61.1 -42.2 36.6 45.8 21.7 426 464 A L H X S+ 0 0 6 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.851 107.4 53.4 -63.7 -38.9 40.3 45.4 21.0 427 465 A K H X S+ 0 0 168 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.921 110.1 49.0 -54.1 -50.7 41.0 48.3 23.6 428 466 A A H X S+ 0 0 20 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.881 109.3 51.3 -56.8 -46.5 39.0 46.2 26.1 429 467 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.878 111.4 47.3 -62.4 -41.3 40.9 43.1 25.3 430 468 A W H X S+ 0 0 99 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.919 111.3 51.8 -61.7 -47.5 44.3 44.9 25.9 431 469 A Q H X S+ 0 0 102 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.900 112.8 44.9 -55.0 -47.2 43.0 46.4 29.1 432 470 A Y H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.922 113.5 48.8 -66.1 -45.7 41.9 43.0 30.4 433 471 A A H < S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.893 108.9 54.1 -61.6 -43.6 45.2 41.3 29.3 434 472 A D H < S+ 0 0 112 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.2 43.8 -53.0 -43.8 47.2 44.1 31.0 435 473 A E H < 0 0 105 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.937 360.0 360.0 -65.9 -51.4 45.3 43.5 34.3 436 474 A I < 0 0 37 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.878 360.0 360.0 -77.3 360.0 45.5 39.6 34.2