==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LYASE/DNA 25-OCT-02 1N3C . COMPND 2 MOLECULE: DNA COMPLEMENT STRAND; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.P.NORMAN,S.J.CHUNG,G.L.VERDINE . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.3 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 . 4 1.3 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 0.3 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 . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 1 1 2 3 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A G 0 0 101 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.3 29.2 -13.4 37.0 2 10 A S + 0 0 114 4,-0.1 2,-0.2 9,-0.0 4,-0.1 0.466 360.0 79.2 -90.1 -3.0 25.4 -13.3 37.2 3 11 A E S S+ 0 0 154 2,-0.1 160,-0.1 160,-0.1 0, 0.0 -0.635 83.4 15.3-102.0 162.0 25.7 -10.8 40.1 4 12 A G S S- 0 0 12 -2,-0.2 2,-0.0 158,-0.2 158,-0.0 0.006 106.8 -20.7 69.9-178.7 26.4 -7.1 40.0 5 13 A H S S- 0 0 27 1,-0.1 2,-0.1 158,-0.1 -2,-0.1 -0.342 70.7-121.3 -64.6 141.6 26.2 -4.7 37.0 6 14 A R - 0 0 32 -4,-0.1 2,-0.3 62,-0.1 37,-0.1 -0.330 20.9-160.3 -80.9 164.2 26.4 -6.3 33.5 7 15 A T > - 0 0 34 1,-0.1 4,-2.0 -2,-0.1 8,-0.1 -0.988 29.9-119.3-144.2 144.2 29.0 -5.5 30.8 8 16 A L T 4 S+ 0 0 52 -2,-0.3 7,-0.1 1,-0.2 6,-0.1 0.908 115.1 48.4 -51.3 -44.0 28.8 -6.2 27.1 9 17 A A T 4 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.940 112.1 45.5 -60.6 -54.7 31.8 -8.5 27.4 10 18 A S T 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.780 123.7 27.3 -65.2 -34.5 30.7 -10.6 30.4 11 19 A T >< + 0 0 20 -4,-2.0 3,-2.3 1,-0.1 4,-0.3 -0.374 66.6 164.6-131.9 60.0 27.1 -11.3 29.4 12 20 A P G > S+ 0 0 82 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.809 74.8 54.4 -39.5 -51.5 26.9 -11.3 25.6 13 21 A A G 3 S+ 0 0 88 1,-0.3 64,-0.4 64,-0.0 -5,-0.0 0.665 99.7 63.6 -64.9 -17.2 23.5 -13.0 25.3 14 22 A L G < S+ 0 0 32 -3,-2.3 55,-0.4 62,-0.1 -1,-0.3 0.496 91.3 82.4 -87.1 -3.1 21.9 -10.5 27.6 15 23 A W < - 0 0 19 -3,-1.6 2,-0.3 -4,-0.3 53,-0.2 -0.666 52.0-172.9-104.6 158.5 22.4 -7.6 25.3 16 24 A A E -A 67 0A 19 51,-1.7 51,-3.7 -2,-0.2 2,-0.3 -0.973 17.8-136.2-142.1 148.2 20.5 -6.3 22.3 17 25 A S E -A 66 0A 60 -2,-0.3 49,-0.2 49,-0.2 43,-0.0 -0.810 6.8-154.5-116.8 155.8 21.5 -3.5 20.0 18 26 A I E -A 65 0A 5 47,-1.9 47,-1.8 -2,-0.3 2,-0.2 -0.993 37.2-107.9-123.2 124.4 19.8 -0.5 18.4 19 27 A P E +A 64 0A 108 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.356 63.7 142.4 -53.9 116.1 21.3 0.8 15.1 20 28 A C - 0 0 3 43,-2.2 41,-0.2 -2,-0.2 2,-0.1 -0.669 40.0-147.7-165.4 104.2 22.8 4.1 16.3 21 29 A P >> - 0 0 53 0, 0.0 3,-2.9 0, 0.0 4,-0.5 -0.463 28.8-118.9 -73.0 143.8 26.1 5.7 15.2 22 30 A R G >4 S+ 0 0 72 40,-1.9 3,-2.1 1,-0.3 41,-0.1 0.857 114.1 68.7 -48.5 -36.8 28.0 7.7 17.8 23 31 A S G 34 S+ 0 0 72 39,-0.3 96,-1.0 1,-0.3 -1,-0.3 0.759 103.4 43.3 -54.2 -26.4 27.5 10.7 15.4 24 32 A E G <4 S+ 0 0 23 -3,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.434 130.5 11.0 -99.8 -3.2 23.8 10.5 16.3 25 33 A L << - 0 0 0 -3,-2.1 2,-0.4 -4,-0.5 -1,-0.3 -0.833 49.4-169.7-176.3 136.0 24.4 10.0 20.1 26 34 A R >> - 0 0 61 93,-1.9 3,-1.6 -2,-0.2 4,-1.0 -0.901 8.2-165.3-132.9 100.4 27.2 10.1 22.7 27 35 A L H >> S+ 0 0 1 -2,-0.4 4,-2.3 1,-0.3 3,-1.0 0.898 90.3 55.4 -50.3 -48.7 26.2 8.6 26.0 28 36 A D H 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 13,-0.0 0.669 112.1 44.6 -61.9 -18.1 29.2 10.2 27.8 29 37 A L H <4 S+ 0 0 3 -3,-1.6 -1,-0.3 90,-0.1 -2,-0.2 0.554 121.9 34.8-102.8 -10.2 28.1 13.6 26.6 30 38 A V H X<>S+ 0 0 0 -3,-1.0 3,-0.7 -4,-1.0 5,-0.6 0.824 109.4 52.9-109.0 -49.5 24.4 13.3 27.3 31 39 A L T 3<5S+ 0 0 1 -4,-2.3 8,-0.4 1,-0.2 3,-0.3 0.759 116.3 34.6 -65.4 -30.8 23.8 11.3 30.5 32 40 A P T 3 5S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.410 93.9 92.5-106.2 7.0 26.0 13.1 32.9 33 41 A S T < 5S- 0 0 10 -3,-0.7 -2,-0.1 1,-0.1 4,-0.1 0.182 106.1 -94.9 -85.3 16.0 25.5 16.6 31.4 34 42 A G T 5S+ 0 0 12 2,-0.5 3,-0.2 -3,-0.3 -3,-0.1 0.740 98.8 104.9 82.9 21.0 22.6 17.6 33.6 35 43 A Q S S-B 46 0A 28 3,-1.1 3,-2.1 -3,-0.2 2,-0.1 -0.857 110.3 -79.9-119.2 156.7 31.6 0.4 34.6 44 52 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.408 118.6 2.2 -61.6 128.6 33.7 2.3 32.1 45 53 A A T 3 S+ 0 0 49 1,-0.2 2,-0.6 -2,-0.1 15,-0.4 0.357 111.8 106.8 76.9 -4.6 31.5 3.1 29.0 46 54 A H E < -B 43 0A 17 -3,-2.1 -3,-1.1 13,-0.1 2,-0.4 -0.927 51.4-167.2-110.9 121.9 28.6 1.5 30.8 47 55 A W E - C 0 58A 16 11,-3.2 11,-3.0 -2,-0.6 2,-0.4 -0.892 3.5-167.2-110.2 133.8 25.8 3.7 32.1 48 56 A S E +BC 40 57A 1 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.3 -0.927 24.5 115.4-123.3 146.5 23.1 2.5 34.5 49 57 A G E - C 0 56A 0 7,-1.8 7,-2.7 -2,-0.4 2,-0.7 -0.978 61.9 -63.8 179.5-174.9 19.8 4.0 35.6 50 58 A V E + C 0 55A 10 -12,-0.3 2,-0.5 -2,-0.3 5,-0.2 -0.850 43.9 174.0-102.0 115.5 16.1 3.8 35.6 51 59 A L S S- 0 0 5 3,-2.7 3,-0.4 -2,-0.7 35,-0.1 -0.970 72.9 -14.5-122.6 114.1 14.4 4.1 32.2 52 60 A A S S- 0 0 61 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.953 127.6 -51.7 60.2 53.1 10.7 3.5 32.1 53 61 A D S S+ 0 0 137 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.699 122.8 91.3 59.8 21.7 10.3 1.9 35.6 54 62 A Q S S- 0 0 50 -3,-0.4 -3,-2.7 17,-0.1 2,-0.4 -0.986 78.0-112.8-142.7 151.5 13.1 -0.6 34.9 55 63 A V E +CD 50 70A 1 15,-1.1 15,-3.0 -2,-0.3 2,-0.3 -0.717 39.0 177.1 -89.8 132.7 16.9 -0.6 35.4 56 64 A W E -CD 49 69A 1 -7,-2.7 -7,-1.8 -2,-0.4 2,-0.4 -0.852 23.7-149.0-128.7 165.9 19.1 -0.6 32.3 57 65 A T E -CD 48 68A 0 11,-2.0 11,-0.9 -2,-0.3 2,-0.4 -0.996 20.1-166.9-136.2 126.2 22.7 -0.5 31.4 58 66 A L E +CD 47 67A 0 -11,-3.0 -11,-3.2 -2,-0.4 2,-0.3 -0.905 16.4 155.3-118.8 146.6 23.7 1.2 28.2 59 67 A T E - D 0 66A 7 7,-1.7 7,-2.4 -2,-0.4 2,-0.3 -0.953 21.8-146.3-157.9 161.8 27.0 1.2 26.3 60 68 A Q E - D 0 65A 15 -15,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.978 10.2-157.5-144.6 155.6 27.9 1.8 22.7 61 69 A T - 0 0 57 3,-2.1 3,-0.4 -2,-0.3 -39,-0.2 -0.643 56.8 -75.6-114.8 174.9 30.2 0.9 19.9 62 70 A E S S+ 0 0 134 1,-0.2 -40,-1.9 -2,-0.2 -39,-0.3 0.780 128.8 9.8 -45.3 -36.0 31.0 3.0 16.8 63 71 A E S S+ 0 0 54 -42,-0.2 -43,-2.2 -41,-0.1 2,-0.3 0.393 119.1 71.2-128.1 3.3 27.7 2.2 15.2 64 72 A Q E -A 19 0A 62 -3,-0.4 -3,-2.1 -45,-0.2 2,-0.6 -0.904 56.0-150.5-127.0 152.6 25.6 0.4 17.8 65 73 A L E -AD 18 60A 0 -47,-1.8 -47,-1.9 -2,-0.3 2,-0.4 -0.961 26.4-155.5-115.4 106.4 23.8 1.3 21.0 66 74 A H E -AD 17 59A 26 -7,-2.4 -7,-1.7 -2,-0.6 2,-0.3 -0.742 12.3-168.4 -89.8 132.0 23.9 -1.9 23.2 67 75 A C E +AD 16 58A 0 -51,-3.7 -51,-1.7 -2,-0.4 2,-0.3 -0.839 15.0 178.2-121.3 156.1 21.2 -2.3 25.8 68 76 A T E - D 0 57A 0 -11,-0.9 -11,-2.0 -2,-0.3 2,-0.4 -0.955 11.1-159.8-154.1 132.7 20.5 -4.6 28.8 69 77 A V E - D 0 56A 1 -55,-0.4 2,-0.5 7,-0.4 7,-0.4 -0.930 7.5-152.6-121.7 143.4 17.6 -4.5 31.2 70 78 A Y E D 0 55A 14 -15,-3.0 -15,-1.1 -2,-0.4 91,-0.1 -0.959 360.0 360.0-112.8 122.3 17.2 -6.0 34.7 71 79 A R 0 0 106 -2,-0.5 -17,-0.1 -17,-0.1 4,-0.0 -0.586 360.0 360.0-104.6 360.0 13.6 -6.8 35.7 72 ! 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 73 83 A S 0 0 165 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -12.6 12.1 -13.1 36.0 74 84 A Q - 0 0 83 1,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.651 360.0 -98.1 -80.8 136.5 14.8 -15.1 34.3 75 85 A A + 0 0 63 -2,-0.3 2,-0.3 -5,-0.0 -1,-0.1 -0.261 58.8 154.3 -56.9 136.0 17.5 -12.9 32.8 76 86 A S - 0 0 51 -7,-0.4 -7,-0.4 -62,-0.1 -62,-0.1 -0.986 47.0 -80.0-160.3 158.2 17.1 -12.3 29.0 77 87 A R - 0 0 36 -64,-0.4 -62,-0.2 -2,-0.3 -9,-0.1 -0.144 63.1 -86.7 -57.2 153.6 17.9 -9.9 26.2 78 88 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.299 44.3-120.0 -63.1 150.0 15.6 -6.9 25.9 79 89 A T > - 0 0 60 -3,-0.1 4,-3.4 1,-0.1 5,-0.3 -0.578 24.9-106.8 -90.3 155.8 12.5 -7.3 23.9 80 90 A P H > S+ 0 0 100 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.809 122.8 48.6 -50.0 -34.3 11.7 -5.2 20.7 81 91 A D H > S+ 0 0 137 2,-0.2 4,-1.1 1,-0.2 3,-0.0 0.908 111.6 47.5 -74.8 -41.4 9.1 -3.3 22.7 82 92 A E H >> S+ 0 0 30 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.956 110.3 54.2 -61.4 -46.6 11.4 -2.7 25.7 83 93 A L H 3X S+ 0 0 21 -4,-3.4 4,-1.9 1,-0.3 3,-0.4 0.831 101.3 59.3 -55.5 -34.6 14.0 -1.6 23.2 84 94 A E H 3X S+ 0 0 88 -4,-1.2 4,-2.5 -5,-0.3 -1,-0.3 0.845 94.6 63.8 -64.2 -32.5 11.5 0.9 21.8 85 95 A A H S+ 0 0 60 -4,-1.9 5,-2.2 1,-0.2 6,-0.3 0.850 112.7 49.3 -53.4 -35.2 14.5 4.8 21.2 88 98 A K H ><5S+ 0 0 122 -4,-2.5 3,-0.7 3,-0.2 -1,-0.2 0.888 107.5 53.4 -70.8 -40.4 11.7 6.9 22.6 89 99 A Y H 3<5S+ 0 0 20 -4,-1.9 35,-2.1 -3,-0.3 -2,-0.2 0.767 117.6 37.3 -65.2 -29.7 13.7 8.1 25.6 90 100 A F T 3<5S- 0 0 0 -4,-1.8 -1,-0.2 33,-0.2 -2,-0.2 0.356 104.1-129.9-103.6 1.5 16.5 9.3 23.2 91 101 A Q T X 5 + 0 0 35 -3,-0.7 3,-2.6 -4,-0.3 -3,-0.2 0.872 37.2 175.8 49.4 45.1 14.1 10.5 20.5 92 102 A L T 3 < + 0 0 20 -5,-2.2 -1,-0.1 1,-0.3 -4,-0.1 0.619 68.0 72.1 -56.3 -14.3 16.2 8.5 18.0 93 103 A D T 3 S+ 0 0 129 -6,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.785 81.1 83.6 -72.4 -25.8 13.7 9.5 15.3 94 104 A V S < S- 0 0 32 -3,-2.6 2,-0.9 -4,-0.1 3,-0.1 -0.695 83.6-136.2 -79.5 122.3 15.1 13.0 15.4 95 105 A T >> - 0 0 65 -2,-0.5 4,-1.9 1,-0.2 3,-0.5 -0.718 14.9-166.9 -85.0 104.6 18.2 13.1 13.2 96 106 A L H 3> S+ 0 0 1 -2,-0.9 4,-3.8 1,-0.2 5,-0.3 0.836 88.6 61.4 -57.5 -34.1 21.0 15.0 14.9 97 107 A A H 3> S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 104.9 46.3 -59.6 -44.9 22.9 15.1 11.7 98 108 A Q H <> S+ 0 0 130 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.940 117.9 42.7 -63.3 -47.0 20.1 17.1 10.0 99 109 A L H X S+ 0 0 26 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.969 113.3 50.8 -63.8 -53.8 19.8 19.4 12.9 100 110 A Y H X S+ 0 0 30 -4,-3.8 4,-3.0 1,-0.2 -1,-0.2 0.902 111.1 50.9 -49.8 -44.0 23.6 19.8 13.4 101 111 A H H X S+ 0 0 129 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.954 111.5 45.9 -59.8 -53.1 23.8 20.6 9.7 102 112 A H H X S+ 0 0 83 -4,-2.4 4,-1.5 2,-0.2 3,-0.4 0.954 115.3 45.7 -55.9 -54.7 21.1 23.2 9.8 103 113 A W H >X S+ 0 0 1 -4,-3.0 4,-1.3 1,-0.2 3,-0.5 0.930 111.7 54.0 -56.0 -45.3 22.5 24.9 12.9 104 114 A G H 3< S+ 0 0 5 -4,-3.0 7,-0.4 -5,-0.3 -1,-0.2 0.837 106.6 51.0 -58.2 -35.9 26.0 24.7 11.4 105 115 A S H 3< S+ 0 0 79 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.781 116.2 39.8 -75.7 -25.9 25.0 26.5 8.2 106 116 A V H << S+ 0 0 65 -4,-1.5 2,-0.3 -3,-0.5 -1,-0.2 0.512 120.5 44.8 -98.6 -6.7 23.3 29.4 10.0 107 117 A D X - 0 0 11 -4,-1.3 4,-2.5 -5,-0.2 3,-0.3 -0.781 57.8-168.6-143.9 97.9 25.9 29.7 12.8 108 118 A S H > S+ 0 0 107 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.823 93.8 54.8 -50.8 -36.0 29.7 29.6 12.0 109 119 A H H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.941 106.4 48.6 -65.9 -47.7 30.3 29.3 15.7 110 120 A F H > S+ 0 0 0 -3,-0.3 4,-4.1 1,-0.2 5,-0.3 0.952 109.0 54.5 -57.1 -47.9 28.1 26.3 16.1 111 121 A Q H X S+ 0 0 121 -4,-2.5 4,-1.3 -7,-0.4 -1,-0.2 0.955 109.0 49.4 -47.0 -54.8 29.8 24.7 13.1 112 122 A E H >X S+ 0 0 68 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.934 118.1 37.8 -49.5 -57.5 33.1 25.3 14.9 113 123 A V H >< S+ 0 0 30 -4,-2.7 3,-0.9 1,-0.2 4,-0.5 0.888 106.4 65.5 -64.7 -43.9 31.9 23.7 18.2 114 124 A A H >< S+ 0 0 12 -4,-4.1 3,-0.9 1,-0.2 -1,-0.2 0.773 89.6 68.0 -52.4 -30.0 29.9 20.9 16.6 115 125 A Q H << S+ 0 0 86 -4,-1.3 3,-0.3 -3,-0.6 -1,-0.2 0.938 108.0 35.9 -58.7 -46.2 33.0 19.3 15.2 116 126 A K T << S+ 0 0 166 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.324 120.6 48.2 -90.7 7.2 34.3 18.3 18.6 117 127 A F S < S+ 0 0 32 -3,-0.9 3,-0.5 -4,-0.5 -1,-0.2 -0.409 70.2 162.4-145.3 65.6 31.0 17.5 20.3 118 128 A Q + 0 0 33 -3,-0.3 -94,-0.1 1,-0.2 3,-0.1 -0.381 55.2 36.8 -81.7 162.2 28.9 15.3 18.1 119 129 A G + 0 0 0 -96,-1.0 -93,-1.9 1,-0.2 2,-0.9 0.707 65.2 146.0 73.2 23.3 25.9 13.3 19.3 120 130 A V + 0 0 2 -3,-0.5 -1,-0.2 -95,-0.2 2,-0.2 -0.824 21.8 155.5 -95.6 105.2 24.4 15.7 21.9 121 131 A R - 0 0 0 -2,-0.9 2,-0.4 -95,-0.1 -30,-0.1 -0.570 41.3 -98.8-116.6-176.9 20.6 15.1 21.7 122 132 A L - 0 0 1 -2,-0.2 2,-0.3 -32,-0.2 181,-0.0 -0.845 24.4-134.3-110.6 143.6 17.8 15.6 24.1 123 133 A L - 0 0 0 -2,-0.4 2,-1.0 -93,-0.1 -33,-0.2 -0.668 14.5-134.4 -88.6 146.1 16.1 13.1 26.3 124 134 A R - 0 0 79 -35,-2.1 124,-0.2 -2,-0.3 -33,-0.1 -0.895 37.7-170.3-105.4 103.6 12.4 13.0 26.5 125 135 A Q - 0 0 4 122,-3.2 3,-0.0 -2,-1.0 -89,-0.0 -0.288 27.2 -90.4 -87.3 171.9 11.9 12.7 30.1 126 136 A D > - 0 0 80 1,-0.1 4,-3.3 -2,-0.1 5,-0.3 -0.705 33.9-128.4 -85.9 130.0 9.0 12.0 32.4 127 137 A P H > S+ 0 0 4 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.889 104.4 43.3 -39.0 -63.9 7.1 15.2 33.5 128 138 A I H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.942 117.1 44.4 -53.7 -57.2 7.1 14.4 37.3 129 139 A E H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 118.3 45.9 -55.6 -44.5 10.7 13.2 37.4 130 140 A C H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.880 111.6 51.5 -67.8 -39.1 11.8 16.2 35.3 131 141 A L H X S+ 0 0 0 -4,-3.4 4,-1.1 -5,-0.3 -2,-0.2 0.959 115.7 38.4 -63.8 -52.6 9.8 18.7 37.2 132 142 A F H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.803 113.0 57.5 -72.3 -25.7 11.0 17.8 40.7 133 143 A S H >X S+ 0 0 2 -4,-1.7 4,-0.6 -5,-0.4 3,-0.5 0.980 110.5 41.5 -67.4 -53.5 14.6 17.2 39.5 134 144 A F H 3X S+ 0 0 5 -4,-2.0 4,-0.8 1,-0.3 -1,-0.2 0.698 106.9 62.9 -68.7 -16.7 15.0 20.7 38.1 135 145 A I H >< S+ 0 0 0 -4,-1.1 3,-0.6 1,-0.2 -1,-0.3 0.902 105.4 47.6 -69.5 -38.1 13.3 22.1 41.1 136 146 A C H << S+ 0 0 0 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.666 104.0 66.6 -72.6 -15.8 16.2 20.7 43.0 137 147 A S H >< + 0 0 14 -4,-0.6 3,-0.9 -5,-0.1 -1,-0.2 0.744 69.0 115.1 -80.6 -23.5 18.5 22.3 40.4 138 148 A S T << S- 0 0 28 -4,-0.8 3,-0.1 -3,-0.6 56,-0.1 -0.189 92.2 -5.0 -53.2 133.1 17.9 26.0 41.1 139 149 A N T 3 S+ 0 0 140 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.912 118.5 101.0 47.9 53.8 21.0 27.9 42.4 140 150 A N < - 0 0 41 -3,-0.9 2,-0.3 4,-0.0 -1,-0.2 -0.936 69.4-109.4-155.6 171.5 22.9 24.6 42.6 141 151 A N > - 0 0 88 -2,-0.3 4,-2.4 -3,-0.1 3,-0.5 -0.865 31.7-113.1-113.9 150.8 25.6 22.4 40.8 142 152 A I H > S+ 0 0 46 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.758 112.7 57.6 -49.7 -34.1 25.1 19.1 39.0 143 153 A A H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.963 111.6 39.6 -65.8 -50.3 27.1 17.2 41.6 144 154 A R H > S+ 0 0 98 -3,-0.5 4,-2.8 2,-0.2 3,-0.5 0.965 115.4 53.2 -61.3 -51.4 24.9 18.2 44.5 145 155 A I H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.3 5,-0.3 0.917 106.7 51.8 -48.7 -51.2 21.7 17.9 42.5 146 156 A T H X S+ 0 0 28 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.3 0.869 112.5 48.5 -56.3 -36.5 22.7 14.3 41.4 147 157 A G H X S+ 0 0 14 -4,-1.6 4,-2.1 -3,-0.5 3,-0.4 0.952 111.7 45.3 -69.6 -51.3 23.1 13.6 45.1 148 158 A M H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.951 110.9 53.7 -56.7 -52.4 19.9 15.0 46.4 149 159 A V H X S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.786 107.6 53.1 -55.2 -27.7 17.8 13.4 43.6 150 160 A E H X S+ 0 0 104 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.965 111.4 42.8 -73.3 -52.1 19.3 10.1 44.6 151 161 A R H X S+ 0 0 99 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.862 110.0 58.3 -61.2 -38.2 18.4 10.4 48.3 152 162 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.911 110.2 43.5 -58.7 -42.0 14.9 11.7 47.3 153 163 A C H X S+ 0 0 1 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.874 112.9 50.3 -73.2 -36.9 14.3 8.5 45.3 154 164 A Q H < S+ 0 0 53 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.971 117.1 42.4 -64.0 -48.5 15.7 6.2 48.0 155 165 A A H < S+ 0 0 40 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 136.4 11.2 -66.1 -41.2 13.6 7.8 50.6 156 166 A F H < S+ 0 0 42 -4,-2.5 17,-0.5 -5,-0.3 -3,-0.2 0.318 104.3 98.6-125.3 12.3 10.4 8.1 48.6 157 167 A G S < S- 0 0 13 -4,-2.3 2,-0.3 15,-0.2 14,-0.2 -0.674 78.8-100.8-101.7 155.8 10.8 6.1 45.5 158 168 A P - 0 0 77 0, 0.0 12,-3.1 0, 0.0 2,-0.3 -0.562 42.2-114.8 -71.6 129.4 9.6 2.5 44.9 159 169 A R E +E 169 0B 176 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.508 39.8 174.7 -68.6 127.2 12.5 0.0 45.3 160 170 A L E - 0 0 48 8,-4.0 2,-0.2 1,-0.3 9,-0.1 0.642 48.5 -36.3 -98.0-103.9 13.3 -1.6 42.0 161 171 A I E - 0 0 36 -91,-0.1 7,-3.5 2,-0.0 2,-0.5 -0.741 47.3-127.4-122.1 172.6 16.3 -4.0 42.0 162 172 A Q E -E 167 0B 120 5,-0.3 2,-0.5 -2,-0.2 5,-0.2 -0.980 18.9-176.0-123.1 126.4 19.7 -4.2 43.6 163 173 A L E > -E 166 0B 17 3,-2.7 3,-2.6 -2,-0.5 -158,-0.1 -0.990 67.3 -38.8-121.3 126.7 22.9 -4.6 41.7 164 174 A D T 3 S- 0 0 96 -2,-0.5 -160,-0.1 1,-0.3 -2,-0.0 -0.366 126.6 -26.5 54.7-129.8 26.1 -5.0 43.7 165 175 A D T 3 S+ 0 0 147 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.020 119.6 98.6-102.5 28.5 25.7 -2.6 46.6 166 176 A V E < -E 163 0B 40 -3,-2.6 -3,-2.7 2,-0.0 2,-0.6 -0.961 54.9-161.2-118.7 127.1 23.4 -0.2 44.7 167 177 A T E -E 162 0B 50 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.923 15.2-142.2-108.2 119.5 19.6 -0.4 45.1 168 178 A Y E - 0 0 18 -7,-3.5 -8,-4.0 -2,-0.6 2,-0.3 -0.619 15.8-166.2 -84.8 134.6 17.6 1.3 42.3 169 179 A H E -E 159 0B 31 -2,-0.3 -10,-0.2 -10,-0.3 2,-0.1 -0.868 18.8-125.8-116.0 150.7 14.5 3.2 43.1 170 180 A G - 0 0 5 -12,-3.1 -14,-0.1 -2,-0.3 3,-0.1 -0.453 48.8 -83.0 -82.3 167.7 11.8 4.4 40.8 171 181 A F - 0 0 31 -14,-0.2 -1,-0.1 -2,-0.1 -42,-0.1 -0.525 54.7 -98.9 -74.4 140.7 11.0 8.1 40.9 172 182 A P - 0 0 2 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.146 36.3-122.5 -56.0 149.7 8.6 9.1 43.7 173 183 A S > - 0 0 56 -17,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.360 25.0-106.5 -86.0 172.1 4.9 9.6 42.9 174 184 A L H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.908 120.5 55.8 -65.4 -42.9 3.1 12.9 43.5 175 185 A Q H > S+ 0 0 118 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.944 109.9 46.1 -54.0 -50.4 1.2 11.3 46.4 176 186 A A H >4 S+ 0 0 31 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.957 113.0 47.3 -57.5 -55.6 4.5 10.3 48.1 177 187 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.859 112.7 51.9 -55.3 -36.4 6.1 13.7 47.6 178 188 A A H 3< S+ 0 0 17 -4,-2.7 -1,-0.3 24,-0.2 -2,-0.2 0.524 88.2 124.1 -79.4 -6.4 2.9 15.4 48.9 179 189 A G S X< S- 0 0 15 -3,-1.9 3,-1.4 -4,-0.5 4,-0.3 0.089 73.0 -79.5 -56.2 163.2 2.9 13.2 52.1 180 190 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.446 112.0 3.8 -66.9 132.0 2.8 14.4 55.7 181 191 A E T 3> S+ 0 0 161 -2,-0.2 4,-1.9 -3,-0.1 3,-0.2 0.467 86.3 128.7 75.2 5.6 6.2 15.5 57.0 182 192 A V H <> + 0 0 5 -3,-1.4 4,-3.4 1,-0.2 5,-0.3 0.940 67.8 58.3 -56.8 -48.9 8.0 15.0 53.7 183 193 A E H > S+ 0 0 43 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.900 105.5 50.5 -48.0 -46.3 9.5 18.5 53.8 184 194 A A H > S+ 0 0 57 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.964 113.1 45.8 -55.3 -53.0 11.1 17.7 57.2 185 195 A H H >X S+ 0 0 86 -4,-1.9 4,-1.4 1,-0.2 3,-0.9 0.951 111.9 50.4 -54.6 -55.0 12.6 14.5 55.7 186 196 A L H 3<>S+ 0 0 0 -4,-3.4 5,-2.2 1,-0.3 3,-0.3 0.865 107.0 56.2 -52.2 -39.1 13.8 16.2 52.6 187 197 A R H ><5S+ 0 0 111 -4,-2.6 3,-0.8 -5,-0.3 5,-0.3 0.847 106.3 49.4 -64.2 -33.6 15.4 18.8 54.8 188 198 A K H <<5S+ 0 0 190 -4,-1.6 -1,-0.3 -3,-0.9 -2,-0.2 0.718 105.9 57.7 -76.7 -20.7 17.3 16.0 56.5 189 199 A L T 3<5S- 0 0 32 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.464 121.9-110.9 -85.6 -3.5 18.3 14.7 53.1 190 200 A G T < 5S+ 0 0 29 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.697 71.2 141.9 84.2 22.1 19.9 18.1 52.4 191 201 A L > < - 0 0 0 -5,-2.2 3,-1.5 1,-0.2 -4,-0.2 0.492 47.9-156.0 -72.2 -0.1 17.5 19.4 49.8 192 202 A G T > - 0 0 25 -5,-0.3 3,-2.6 -6,-0.3 4,-0.3 -0.169 60.0 -17.0 59.3-152.4 18.0 22.8 51.5 193 203 A Y T 3> S+ 0 0 107 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.553 130.3 74.0 -62.8 -4.9 15.3 25.4 51.2 194 204 A R H <> S+ 0 0 2 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.608 71.9 84.3 -83.8 -11.4 14.1 23.4 48.2 195 205 A A H <> S+ 0 0 0 -3,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.927 95.1 43.5 -53.9 -45.6 12.7 20.8 50.6 196 206 A R H > S+ 0 0 148 -3,-0.4 4,-3.5 -4,-0.3 5,-0.3 0.840 107.4 58.9 -69.6 -36.1 9.6 23.0 50.8 197 207 A Y H X S+ 0 0 78 -4,-0.6 4,-2.8 2,-0.2 5,-0.2 0.939 108.1 46.8 -59.0 -46.4 9.5 23.7 47.1 198 208 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.969 117.4 41.5 -59.0 -56.5 9.2 20.0 46.5 199 209 A S H X S+ 0 0 7 -4,-1.9 4,-2.2 -5,-0.2 5,-0.3 0.940 116.2 49.2 -56.9 -51.3 6.5 19.4 49.1 200 210 A A H X S+ 0 0 32 -4,-3.5 4,-2.9 1,-0.2 -1,-0.2 0.910 113.7 46.1 -56.9 -46.0 4.6 22.6 48.2 201 211 A S H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.873 108.0 55.2 -67.6 -39.1 4.6 21.8 44.5 202 212 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.960 115.4 39.7 -57.8 -50.1 3.5 18.2 44.9 203 213 A R H X S+ 0 0 93 -4,-2.2 4,-3.9 2,-0.2 5,-0.2 0.937 112.4 55.8 -64.2 -47.4 0.5 19.3 46.9 204 214 A A H X S+ 0 0 9 -4,-2.9 4,-0.5 -5,-0.3 -1,-0.2 0.920 111.2 45.0 -51.6 -46.9 -0.1 22.3 44.6 205 215 A I H X S+ 0 0 0 -4,-2.8 6,-2.4 2,-0.2 4,-0.9 0.935 124.7 32.5 -63.2 -47.9 -0.3 19.9 41.7 206 216 A L H < S+ 0 0 53 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.946 123.5 42.0 -75.3 -52.4 -2.5 17.4 43.4 207 217 A E H < S+ 0 0 151 -4,-3.9 -1,-0.2 -5,-0.2 -3,-0.2 0.157 133.3 9.6 -87.0 17.9 -4.6 19.5 45.7 208 218 A E H < S+ 0 0 133 -4,-0.5 -1,-0.2 -3,-0.3 -3,-0.2 0.380 119.8 53.6-176.7 15.6 -5.4 22.4 43.3 209 219 A Q S < S- 0 0 63 -4,-0.9 -3,-0.1 -3,-0.2 -4,-0.1 0.385 107.2 -92.3-140.6 1.4 -4.4 21.8 39.7 210 220 A G > - 0 0 64 -4,-0.4 3,-0.6 -5,-0.1 -4,-0.2 0.194 60.0-118.4 104.9 -17.3 -5.9 18.5 38.6 211 221 A G T >> S- 0 0 3 -6,-2.4 3,-1.3 1,-0.2 4,-1.2 -0.326 72.7 -9.3 80.9-165.3 -3.0 16.3 39.5 212 222 A L H 3> S+ 0 0 73 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.726 132.1 57.3 -39.3 -36.4 -0.9 14.2 37.2 213 223 A A H <> S+ 0 0 64 -3,-0.6 4,-1.7 2,-0.2 -1,-0.3 0.925 99.9 56.5 -66.3 -45.1 -3.3 14.8 34.3 214 224 A W H <> S+ 0 0 45 -3,-1.3 4,-1.0 1,-0.2 3,-0.5 0.943 111.3 45.3 -47.9 -52.9 -3.0 18.6 34.4 215 225 A L H >< S+ 0 0 1 -4,-1.2 3,-0.8 1,-0.2 4,-0.5 0.917 112.0 48.9 -58.1 -50.6 0.8 18.2 34.0 216 226 A Q H 3< S+ 0 0 93 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.684 102.5 66.1 -66.8 -16.5 0.6 15.6 31.2 217 227 A Q H >< S+ 0 0 44 -4,-1.7 3,-2.1 -3,-0.5 4,-0.5 0.867 88.6 65.2 -72.3 -35.6 -1.9 17.9 29.5 218 228 A L G X< S+ 0 0 9 -4,-1.0 3,-0.9 -3,-0.8 8,-0.2 0.752 82.3 77.4 -57.8 -25.8 0.8 20.6 28.9 219 229 A R G 3 S+ 0 0 70 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.596 104.0 37.1 -63.1 -6.6 2.6 18.2 26.7 220 230 A E G < S+ 0 0 171 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.452 102.3 90.0-120.4 -9.5 0.0 19.1 24.1 221 231 A S S < S- 0 0 42 -3,-0.9 2,-0.1 -4,-0.5 -3,-0.0 -0.317 89.3 -84.2 -82.1 170.5 -0.3 22.8 24.9 222 232 A S > - 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0 0 94 -4,-1.4 -4,-0.2 -5,-0.4 2,-0.2 0.924 50.7-176.1 53.0 44.6 29.5 39.4 21.7 271 281 A W + 0 0 21 -6,-1.5 -1,-0.2 -9,-0.2 -2,-0.1 -0.516 17.4 173.5 -82.2 141.4 25.9 39.5 22.9 272 282 A H - 0 0 131 -2,-0.2 2,-0.1 -3,-0.1 7,-0.1 -0.990 38.2-105.0-141.6 148.1 24.3 42.4 24.8 273 283 A P + 0 0 22 0, 0.0 12,-0.1 0, 0.0 13,-0.0 -0.496 40.2 172.7 -69.9 141.2 20.7 43.1 25.8 274 284 A T S S+ 0 0 111 -2,-0.1 11,-0.0 11,-0.1 14,-0.0 0.740 72.4 37.3-117.0 -56.3 19.3 45.8 23.6 275 285 A T S S+ 0 0 131 9,-0.1 2,-0.3 10,-0.1 10,-0.0 0.192 106.5 93.0 -84.0 20.2 15.5 46.4 24.2 276 286 A S S S- 0 0 18 2,-0.2 9,-0.0 1,-0.1 0, 0.0 -0.871 72.3-138.0-118.5 150.6 16.2 45.8 27.9 277 287 A Q S S+ 0 0 146 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.949 80.7 64.9 -64.0 -56.7 17.0 48.2 30.8 278 288 A A - 0 0 40 2,-0.1 -2,-0.2 1,-0.1 4,-0.1 -0.069 64.0-147.1 -70.6 167.8 19.8 46.2 32.5 279 289 A K S S+ 0 0 86 2,-0.1 -1,-0.1 -7,-0.1 3,-0.1 0.564 83.6 41.0-108.0 -20.6 23.3 45.2 31.4 280 290 A G S S- 0 0 27 1,-0.2 5,-0.2 -8,-0.1 -2,-0.1 -0.505 111.0 -40.7-117.5-172.5 23.3 41.9 33.2 281 291 A P + 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.274 69.0 144.6 -54.8 127.6 20.9 39.0 34.0 282 292 A S > - 0 0 23 1,-0.1 4,-2.9 -4,-0.1 5,-0.3 -0.954 64.9 -98.6-154.8 160.8 17.4 40.2 34.8 283 293 A P H > S+ 0 0 117 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.947 126.0 46.1 -54.9 -41.1 14.0 38.8 34.0 284 294 A Q H > S+ 0 0 39 1,-0.2 4,-1.4 2,-0.2 -9,-0.1 0.866 114.6 45.7 -66.9 -38.7 13.8 41.2 31.0 285 295 A T H > S+ 0 0 0 -5,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 109.8 54.6 -72.9 -38.4 17.3 40.5 29.7 286 296 A N H X S+ 0 0 43 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.925 106.5 51.1 -59.9 -46.0 17.0 36.7 30.1 287 297 A K H X S+ 0 0 123 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.925 110.0 51.1 -56.9 -44.4 13.9 36.6 28.0 288 298 A E H X S+ 0 0 26 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.927 108.7 50.1 -58.6 -48.6 15.7 38.6 25.3 289 299 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.918 109.4 51.9 -56.7 -46.4 18.6 36.2 25.3 290 300 A G H X S+ 0 0 3 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.895 111.4 47.1 -58.3 -40.2 16.2 33.3 25.0 291 301 A N H X S+ 0 0 77 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.881 108.3 56.0 -69.2 -37.4 14.6 35.0 22.0 292 302 A F H X S+ 0 0 55 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.954 109.7 44.7 -58.4 -51.9 18.0 35.8 20.5 293 303 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.5 0.805 111.7 55.7 -63.7 -29.5 19.0 32.1 20.5 294 304 A R H X S+ 0 0 49 -4,-1.4 4,-3.0 -5,-0.3 -2,-0.2 0.977 109.9 42.2 -68.2 -54.8 15.6 31.2 19.2 295 305 A S H < S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 116.3 53.2 -64.9 -21.9 15.8 33.5 16.1 296 306 A L H < S+ 0 0 38 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.973 125.6 17.2 -75.2 -55.9 19.4 32.3 15.7 297 307 A W H < S- 0 0 3 -4,-2.6 3,-0.3 1,-0.2 -3,-0.2 0.775 98.8-142.9 -90.7 -30.2 18.9 28.5 15.7 298 308 A G >< - 0 0 19 -4,-3.0 3,-2.3 -5,-0.5 -1,-0.2 -0.635 55.1 -11.1 106.0-163.8 15.2 28.1 15.0 299 309 A P T 3 S+ 0 0 92 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.691 136.7 46.0 -48.3 -30.9 12.4 25.7 16.2 300 310 A Y T >> S+ 0 0 79 -3,-0.3 4,-1.9 1,-0.2 3,-0.8 -0.018 71.5 129.0-106.9 30.3 15.0 23.4 17.9 301 311 A A H <> S+ 0 0 0 -3,-2.3 4,-2.5 1,-0.3 -48,-0.2 0.863 70.6 59.2 -49.4 -41.5 16.9 26.3 19.5 302 312 A G H 3> S+ 0 0 0 -50,-2.1 4,-2.1 -3,-0.3 -1,-0.3 0.892 104.1 48.1 -57.8 -42.9 16.6 24.3 22.7 303 313 A W H <> S+ 0 0 8 -3,-0.8 4,-1.8 -51,-0.8 -1,-0.2 0.907 110.9 50.8 -65.5 -40.5 18.4 21.3 21.3 304 314 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.893 107.5 54.7 -62.8 -39.6 21.2 23.5 19.9 305 315 A Q H X S+ 0 0 12 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.933 102.8 56.5 -58.8 -45.5 21.4 25.1 23.4 306 316 A A H X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.913 103.8 55.0 -52.9 -45.1 21.9 21.6 24.8 307 317 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.935 114.7 36.6 -56.1 -50.9 24.9 21.1 22.5 308 318 A L H X S+ 0 0 6 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.930 115.1 53.4 -70.4 -44.6 26.7 24.3 23.7 309 319 A F H X S+ 0 0 34 -4,-3.2 4,-0.8 1,-0.2 3,-0.3 0.902 109.6 51.3 -55.4 -41.0 25.7 24.0 27.4 310 320 A S H >X S+ 0 0 3 -4,-2.5 3,-0.9 -5,-0.3 4,-0.8 0.933 111.2 46.3 -60.9 -47.2 27.1 20.5 27.3 311 321 A A H 3< S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.662 106.2 61.0 -70.2 -16.4 30.4 21.7 25.8 312 322 A D H >< S+ 0 0 22 -4,-1.6 3,-0.6 -3,-0.3 -1,-0.2 0.650 100.3 53.1 -84.6 -17.0 30.5 24.5 28.4 313 323 A L H << S+ 0 0 58 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.726 102.6 60.6 -85.0 -24.4 30.6 22.0 31.2 314 324 A R T 3< 0 0 119 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.089 360.0 360.0 -88.5 21.9 33.5 20.4 29.5 315 325 A Q < 0 0 137 -3,-0.6 -3,-0.1 0, 0.0 0, 0.0 -0.532 360.0 360.0 -98.9 360.0 35.5 23.7 29.8