==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 11-FEB-11 3QP6 . COMPND 2 MOLECULE: CVIR TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR G.CHEN,L.SWEM,D.SWEM,D.STAUFF,C.O'LOUGHLIN,P.JEFFREY,B.BASSL . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 67.1 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 . 30 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 9 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 2 0 1 1 1 0 2 1 0 2 0 0 0 0 0 0 0 1 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 0 0 0 0 2 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 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 7 A I 0 0 217 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.6 9.8 -0.7 23.6 2 8 A N + 0 0 144 2,-0.0 2,-0.3 0, 0.0 138,-0.1 -0.740 360.0 144.6 -86.1 110.0 12.2 -0.6 26.5 3 9 A A - 0 0 75 -2,-0.8 3,-0.1 3,-0.0 0, 0.0 -0.974 52.3-109.1-148.7 137.0 10.9 -3.0 29.3 4 10 A R - 0 0 59 -2,-0.3 2,-0.1 1,-0.1 95,-0.0 -0.318 51.5-101.3 -55.6 140.5 12.5 -5.3 31.8 5 11 A P - 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.340 35.7-102.3 -67.5 145.9 11.8 -9.0 30.9 6 12 A L - 0 0 129 1,-0.1 2,-0.2 -3,-0.1 158,-0.1 -0.337 48.2 -94.5 -60.7 150.4 9.1 -11.1 32.5 7 13 A P - 0 0 26 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.531 33.2-158.3 -72.1 136.2 10.5 -13.5 35.2 8 14 A A S S+ 0 0 101 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.737 76.3 64.9 -89.0 -27.6 11.1 -17.0 33.8 9 15 A G S S+ 0 0 79 151,-0.0 -1,-0.2 2,-0.0 151,-0.1 0.627 73.7 127.7 -73.5 -10.8 11.0 -19.3 36.8 10 16 A L - 0 0 18 -3,-0.3 2,-0.1 1,-0.1 150,-0.0 -0.032 54.6-128.2 -69.5 145.6 7.4 -18.8 37.8 11 17 A T > - 0 0 76 1,-0.1 4,-3.0 4,-0.0 3,-0.3 -0.374 36.1-103.1 -74.4 162.0 4.7 -21.5 38.5 12 18 A A H > S+ 0 0 77 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.865 125.5 52.5 -55.7 -38.7 1.4 -21.2 36.7 13 19 A S H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.878 111.1 46.4 -63.8 -39.7 -0.1 -19.8 39.9 14 20 A Q H > S+ 0 0 55 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.912 108.6 55.1 -71.6 -40.4 2.6 -17.2 40.1 15 21 A Q H X S+ 0 0 108 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.854 110.4 47.3 -59.4 -35.7 2.2 -16.2 36.5 16 22 A W H X S+ 0 0 155 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.924 109.6 51.0 -71.7 -47.9 -1.5 -15.6 37.1 17 23 A T H X S+ 0 0 41 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.884 109.6 51.6 -56.4 -41.3 -1.0 -13.6 40.3 18 24 A L H X S+ 0 0 11 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.919 108.6 50.7 -64.7 -44.0 1.6 -11.4 38.5 19 25 A L H X S+ 0 0 99 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.918 111.3 48.5 -57.3 -46.1 -0.9 -10.7 35.6 20 26 A E H X S+ 0 0 90 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.922 112.8 49.2 -58.4 -46.1 -3.5 -9.8 38.2 21 27 A W H X S+ 0 0 31 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.938 115.1 41.6 -59.7 -52.1 -1.0 -7.5 39.9 22 28 A I H X S+ 0 0 37 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.904 115.3 50.6 -65.9 -41.4 0.1 -5.7 36.7 23 29 A H H < S+ 0 0 121 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.953 114.8 43.8 -60.5 -47.1 -3.5 -5.5 35.4 24 30 A M H >< S+ 0 0 103 -4,-2.7 3,-2.2 -5,-0.2 4,-0.4 0.905 108.9 56.6 -65.1 -44.2 -4.7 -4.0 38.6 25 31 A A H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.884 99.5 61.8 -53.8 -38.8 -1.7 -1.6 39.0 26 32 A G T 3< S+ 0 0 47 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.524 103.5 49.9 -68.2 -4.8 -2.7 -0.2 35.5 27 33 A H T < S+ 0 0 117 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.3 0.388 80.2 118.0-110.6 -3.7 -6.0 0.9 36.9 28 34 A I < + 0 0 8 -3,-1.6 151,-0.1 -4,-0.4 150,-0.1 -0.514 22.6 153.4 -68.8 126.6 -4.7 2.7 40.0 29 35 A E + 0 0 145 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.504 52.4 61.3-129.3 -14.4 -5.5 6.4 39.9 30 36 A T S > S- 0 0 66 1,-0.1 4,-1.8 150,-0.0 5,-0.2 -0.880 74.6-126.8-118.5 153.7 -5.6 7.6 43.6 31 37 A E H > S+ 0 0 75 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.910 112.1 57.6 -58.0 -42.4 -3.0 7.6 46.3 32 38 A G H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 106.2 47.2 -56.3 -45.1 -5.5 5.7 48.5 33 39 A E H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 113.8 48.4 -63.0 -39.1 -5.7 2.8 46.0 34 40 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.933 112.0 48.0 -70.1 -45.7 -2.0 2.7 45.7 35 41 A K H X S+ 0 0 98 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.930 115.1 45.7 -58.2 -46.4 -1.4 2.7 49.4 36 42 A A H X S+ 0 0 62 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.868 113.7 49.6 -64.9 -38.8 -4.0 -0.0 49.9 37 43 A F H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.914 112.5 45.9 -68.5 -47.0 -2.6 -2.1 47.0 38 44 A L H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.955 114.2 49.9 -59.7 -49.1 1.0 -1.9 48.2 39 45 A D H >< S+ 0 0 77 -4,-2.5 3,-0.6 -5,-0.3 -2,-0.2 0.932 111.7 49.3 -53.8 -49.6 -0.1 -2.7 51.8 40 46 A N H >< S+ 0 0 108 -4,-2.5 3,-1.1 1,-0.2 4,-0.2 0.932 111.2 43.3 -59.2 -54.6 -2.1 -5.7 50.6 41 47 A I H 3< S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.546 120.3 44.6 -78.1 -4.0 0.4 -7.6 48.4 42 48 A L T << S+ 0 0 10 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.1 -0.275 78.1 124.4-125.1 46.3 3.1 -7.0 51.0 43 49 A S < + 0 0 71 -3,-1.1 2,-0.5 1,-0.1 5,-0.2 0.890 45.1 89.5 -81.5 -44.1 1.1 -7.9 54.0 44 50 A Q S S+ 0 0 166 1,-0.2 -1,-0.1 -4,-0.2 0, 0.0 -0.911 82.7 38.2-100.3 129.3 3.2 -10.7 55.6 45 51 A A S > S- 0 0 37 -2,-0.5 3,-2.3 3,-0.1 -1,-0.2 0.453 73.4-162.9 -86.1 147.3 5.1 -10.0 57.5 46 52 A P T 3 S+ 0 0 110 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.484 89.2 71.5 -67.3 1.0 3.1 -7.2 59.2 47 53 A S T 3 S+ 0 0 67 2,-0.1 2,-0.1 106,-0.0 -3,-0.1 0.456 74.7 105.9 -93.4 -4.0 6.5 -6.1 60.5 48 54 A D < - 0 0 39 -3,-2.3 2,-0.5 -5,-0.2 104,-0.2 -0.442 62.1-144.8 -72.3 151.3 7.7 -4.9 57.1 49 55 A R E -A 151 0A 76 102,-2.5 102,-3.1 -2,-0.1 2,-0.4 -0.984 18.9-166.9-125.9 125.0 7.8 -1.1 56.5 50 56 A I E +A 150 0A 2 -2,-0.5 23,-2.9 100,-0.2 22,-1.9 -0.881 14.8 162.7-123.6 139.3 6.9 0.1 53.1 51 57 A I E -AB 149 71A 8 98,-1.9 98,-2.6 -2,-0.4 2,-0.4 -0.990 20.4-153.3-147.9 151.5 7.3 3.4 51.2 52 58 A L E -AB 148 70A 4 18,-2.0 18,-3.1 -2,-0.3 2,-0.5 -1.000 13.7-168.8-123.8 130.1 7.2 4.6 47.6 53 59 A V E -AB 147 69A 9 94,-2.4 94,-2.3 -2,-0.4 2,-0.5 -0.982 5.0-160.5-121.4 122.8 9.1 7.7 46.6 54 60 A L E +AB 146 68A 0 14,-3.0 13,-3.6 -2,-0.5 14,-2.1 -0.890 22.8 174.3-101.0 132.3 8.6 9.4 43.2 55 61 A G E -AB 145 66A 0 90,-2.9 90,-1.8 -2,-0.5 2,-0.4 -0.911 38.0-112.3-138.2 162.7 11.4 11.8 42.0 56 62 A R E -AB 144 65A 45 9,-3.2 8,-3.6 -2,-0.3 9,-1.4 -0.798 46.2-143.9 -85.0 138.9 12.8 14.0 39.3 57 63 A L E - B 0 63A 2 86,-2.2 6,-0.2 -2,-0.4 2,-0.1 -0.713 9.9-134.8-114.3 152.1 16.0 12.4 38.0 58 64 A N > - 0 0 39 4,-2.4 3,-1.8 -2,-0.3 -1,-0.1 -0.215 53.4 -81.9 -81.3-174.2 19.4 13.5 36.7 59 65 A N T 3 S+ 0 0 147 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.511 131.5 58.1 -77.4 -0.8 20.8 12.0 33.5 60 66 A Q T 3 S- 0 0 100 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.220 118.3-111.8 -99.5 10.7 22.1 8.9 35.5 61 67 A N S < S+ 0 0 63 -3,-1.8 37,-2.3 1,-0.2 2,-0.3 0.754 73.2 138.5 62.1 26.5 18.5 8.3 36.6 62 68 A Q - 0 0 44 35,-0.2 -4,-2.4 1,-0.0 2,-0.3 -0.793 64.9 -96.6 -95.4 146.1 19.3 9.1 40.2 63 69 A I E +B 57 0A 17 31,-0.4 -6,-0.3 33,-0.4 3,-0.1 -0.472 39.8 176.0 -65.6 124.4 16.7 11.2 42.2 64 70 A Q E S- 0 0 123 -8,-3.6 2,-0.3 1,-0.4 -7,-0.2 0.808 74.2 -0.2 -89.9 -45.4 17.6 14.9 42.1 65 71 A R E S-B 56 0A 200 -9,-1.4 -9,-3.2 0, 0.0 -1,-0.4 -0.988 77.5-113.6-147.0 139.6 14.5 16.1 43.9 66 72 A M E -B 55 0A 70 -2,-0.3 -11,-0.3 -11,-0.3 3,-0.1 -0.497 21.8-175.0 -71.8 143.6 11.5 14.2 45.3 67 73 A E E S+ 0 0 80 -13,-3.6 2,-0.3 1,-0.3 -12,-0.2 0.648 71.7 3.1-104.6 -35.1 8.1 14.8 43.7 68 74 A K E -B 54 0A 57 -14,-2.1 -14,-3.0 2,-0.0 2,-0.6 -0.930 53.8-152.4-157.7 136.4 6.0 12.8 46.0 69 75 A V E -B 53 0A 68 -2,-0.3 2,-0.8 -16,-0.2 -16,-0.2 -0.936 13.8-171.8-106.5 113.7 6.4 10.7 49.2 70 76 A L E -B 52 0A 2 -18,-3.1 -18,-2.0 -2,-0.6 2,-0.2 -0.812 10.8-162.1-108.6 91.3 3.8 8.0 49.4 71 77 A N E +B 51 0A 47 -2,-0.8 -20,-0.2 -20,-0.2 -36,-0.0 -0.513 22.1 165.9 -74.7 136.7 4.2 6.5 52.9 72 78 A V S S- 0 0 13 -22,-1.9 -21,-0.2 -2,-0.2 -1,-0.2 0.716 80.2 -22.2-108.9 -56.8 2.6 3.1 53.5 73 79 A S S S+ 0 0 41 -23,-2.9 -22,-0.2 2,-0.1 -2,-0.1 0.156 84.4 134.3-150.0 23.9 4.2 2.0 56.8 74 80 A Y - 0 0 24 -24,-0.8 2,-0.1 -25,-0.2 -24,-0.0 -0.578 68.5 -99.7 -66.5 140.6 7.5 3.8 57.5 75 81 A P > - 0 0 36 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.403 23.2-135.1 -63.7 139.5 7.5 5.0 61.1 76 82 A S H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 104.9 58.2 -67.5 -33.9 6.5 8.7 61.4 77 83 A D H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 107.8 47.3 -55.9 -47.0 9.4 9.3 63.8 78 84 A W H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.924 111.5 49.1 -64.3 -44.5 11.8 8.0 61.2 79 85 A L H X S+ 0 0 49 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.907 110.0 53.6 -60.8 -40.7 10.3 10.1 58.4 80 86 A N H X S+ 0 0 89 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.944 112.9 41.7 -58.1 -49.7 10.5 13.1 60.8 81 87 A Q H X S+ 0 0 32 -4,-2.3 4,-2.5 2,-0.2 6,-0.3 0.910 111.6 55.9 -65.7 -40.3 14.2 12.6 61.4 82 88 A Y H <>S+ 0 0 35 -4,-2.9 5,-2.1 1,-0.2 6,-0.5 0.914 113.5 41.8 -59.3 -43.4 14.9 11.8 57.8 83 89 A S H ><5S+ 0 0 94 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.958 116.5 46.6 -64.8 -52.5 13.4 15.1 56.8 84 90 A Q H 3<5S+ 0 0 140 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.800 117.2 41.7 -65.9 -31.0 15.0 17.2 59.6 85 91 A E T 3<5S- 0 0 72 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.240 107.2-121.3-105.4 13.8 18.5 15.8 59.2 86 92 A N T X 5 + 0 0 96 -3,-1.3 3,-1.8 -4,-0.1 4,-0.3 0.855 47.7 167.0 51.5 43.7 18.4 15.9 55.4 87 93 A F G >>< + 0 0 3 -5,-2.1 4,-2.1 -6,-0.3 3,-1.4 0.702 61.3 79.5 -63.6 -19.7 19.1 12.1 55.2 88 94 A A G 34 S+ 0 0 28 -6,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.845 94.4 49.0 -53.1 -33.1 18.1 12.2 51.5 89 95 A Q G <4 S+ 0 0 114 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.613 119.8 35.9 -82.7 -13.3 21.6 13.5 50.9 90 96 A H T <4 S+ 0 0 36 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.520 86.7 106.8-117.5 -11.1 23.3 10.8 53.0 91 97 A D >< - 0 0 14 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 -0.638 57.3-153.3 -77.4 112.0 21.2 7.7 52.4 92 98 A P G > S+ 0 0 6 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.823 95.4 62.6 -56.2 -30.3 23.1 5.3 50.1 93 99 A I G > S+ 0 0 7 1,-0.3 3,-1.1 2,-0.2 -5,-0.1 0.816 95.3 61.0 -63.9 -28.3 19.8 4.0 48.8 94 100 A M G < S+ 0 0 12 -3,-1.7 -31,-0.4 1,-0.2 -1,-0.3 0.597 94.7 63.3 -73.7 -10.3 19.1 7.4 47.5 95 101 A R G < S+ 0 0 68 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.490 76.9 124.7 -90.4 -4.9 22.1 7.2 45.2 96 102 A I < - 0 0 1 -3,-1.1 2,-1.0 -4,-0.2 -33,-0.4 -0.196 68.9-121.5 -55.8 141.4 20.7 4.2 43.3 97 103 A H > - 0 0 77 -35,-0.1 3,-1.3 39,-0.0 -35,-0.2 -0.806 38.9-127.3 -82.1 102.2 20.4 4.4 39.5 98 104 A L T 3 S+ 0 0 6 -37,-2.3 40,-0.1 -2,-1.0 3,-0.1 -0.220 88.5 42.2 -56.9 135.8 16.6 3.9 39.2 99 105 A G T 3 S+ 0 0 37 1,-0.5 -1,-0.2 47,-0.2 39,-0.1 0.263 85.5 111.6 107.7 -8.2 15.6 1.2 36.8 100 106 A Q S < S- 0 0 71 -3,-1.3 36,-0.5 1,-0.2 -1,-0.5 -0.300 78.5 -75.5 -81.2-179.6 18.2 -1.4 37.7 101 107 A G S S- 0 0 32 1,-0.2 -1,-0.2 34,-0.1 -2,-0.1 -0.064 71.6 -56.4 -71.0 177.0 17.3 -4.6 39.5 102 108 A P - 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0 0 89 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.697 68.5-172.5 -84.5 93.5 11.6 -15.1 48.8 159 165 A A H > S+ 0 0 76 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.839 79.8 49.2 -60.9 -40.0 13.2 -15.2 45.3 160 166 A A H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 111.2 49.7 -67.3 -40.3 9.9 -15.6 43.3 161 167 A L H > S+ 0 0 51 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.921 109.4 52.6 -65.6 -42.3 8.3 -12.7 45.2 162 168 A V H X S+ 0 0 30 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.928 110.5 47.5 -55.2 -47.4 11.3 -10.5 44.5 163 169 A A H X S+ 0 0 33 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.894 114.5 46.2 -61.7 -41.7 11.1 -11.4 40.7 164 170 A M H X S+ 0 0 11 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.922 114.7 46.3 -69.7 -45.1 7.3 -10.6 40.7 165 171 A L H X S+ 0 0 5 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.896 110.6 53.8 -63.0 -42.1 7.7 -7.4 42.6 166 172 A N H < S+ 0 0 33 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.897 110.6 46.6 -58.0 -40.9 10.6 -6.3 40.4 167 173 A C H < S+ 0 0 6 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.838 112.8 50.2 -69.4 -34.4 8.4 -6.9 37.3 168 174 A L H >X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 3,-1.1 0.761 89.1 84.4 -74.9 -27.3 5.5 -5.0 38.9 169 175 A T H 3X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.3 -1,-0.2 0.818 83.1 54.9 -52.0 -45.2 7.6 -1.9 39.9 170 176 A P H 3> S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.861 110.1 50.0 -55.5 -36.1 7.4 -0.0 36.5 171 177 A H H <> S+ 0 0 67 -3,-1.1 4,-1.7 -4,-0.3 -2,-0.2 0.842 109.2 49.4 -73.6 -34.4 3.6 -0.3 36.7 172 178 A L H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.898 109.7 54.1 -67.4 -39.6 3.6 1.0 40.3 173 179 A H H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.949 107.5 48.2 -56.4 -52.9 5.8 3.9 39.1 174 180 A Q H X S+ 0 0 81 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.903 111.3 51.7 -58.6 -37.5 3.4 4.9 36.3 175 181 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.903 107.7 52.3 -63.7 -41.3 0.6 4.8 38.8 176 182 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.894 107.8 52.2 -59.0 -42.3 2.6 7.0 41.1 177 183 A V H X>S+ 0 0 26 -4,-2.3 5,-0.7 2,-0.2 4,-0.6 0.940 110.0 48.3 -61.3 -46.7 3.1 9.5 38.2 178 184 A R H ><5S+ 0 0 100 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.950 114.3 44.8 -58.0 -50.8 -0.7 9.6 37.6 179 185 A I H 3<5S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.797 105.6 62.5 -68.1 -25.1 -1.6 10.1 41.2 180 186 A A H 3<5S- 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.578 97.8-137.6 -77.2 -9.0 1.1 12.8 41.6 181 187 A N T <<5 + 0 0 139 -3,-1.3 -3,-0.1 -4,-0.6 -2,-0.1 0.955 35.6 176.0 53.9 60.4 -0.5 15.1 39.0 182 188 A L < - 0 0 34 -5,-0.7 -1,-0.1 1,-0.1 3,-0.1 -0.527 38.8 -88.2 -92.0 160.9 2.7 16.2 37.2 183 189 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.248 65.0 -80.7 -52.6 156.4 2.9 18.3 34.1 184 190 A P - 0 0 68 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.152 40.3-106.2 -59.8 160.0 2.7 16.3 30.9 185 191 A A S S+ 0 0 60 1,-0.1 -42,-0.2 -3,-0.1 3,-0.0 0.896 109.9 10.9 -56.5 -44.2 5.8 14.4 29.7 186 192 A S S S- 0 0 84 -44,-0.1 -1,-0.1 1,-0.1 -45,-0.0 -0.923 113.6 -69.2-126.8 159.9 6.1 17.1 26.9 187 193 A P - 0 0 96 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.076 53.2-115.5 -50.9 140.1 4.1 20.3 26.8 188 194 A S - 0 0 73 1,-0.1 47,-0.1 -4,-0.1 2,-0.0 -0.292 38.2 -91.0 -65.0 158.1 0.4 20.0 26.1 189 195 A N - 0 0 74 45,-0.1 45,-0.2 1,-0.1 -1,-0.1 -0.352 44.8-122.0 -56.9 154.8 -1.1 21.4 22.9 190 196 A M - 0 0 102 43,-2.0 2,-0.1 40,-0.1 -1,-0.1 -0.862 29.5-101.4-101.4 142.4 -2.2 25.0 23.4 191 197 A P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 43,-0.0 -0.402 38.5-126.3 -60.2 132.6 -5.9 25.8 22.7 192 198 A L - 0 0 34 1,-0.1 2,-0.1 -2,-0.1 38,-0.0 -0.540 19.9-118.9 -74.5 145.9 -6.3 27.5 19.3 193 199 A S > - 0 0 51 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.333 33.9-101.6 -69.6 165.5 -8.1 30.9 19.2 194 200 A Q H > S+ 0 0 131 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.919 125.8 49.5 -54.5 -44.8 -11.2 30.9 17.1 195 201 A R H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 111.0 48.6 -64.4 -42.0 -9.3 32.7 14.3 196 202 A E H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 112.6 49.5 -64.2 -36.2 -6.5 30.1 14.5 197 203 A Y H X S+ 0 0 32 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.921 107.3 53.1 -68.3 -41.5 -9.2 27.4 14.4 198 204 A D H X S+ 0 0 53 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.906 112.1 46.8 -59.0 -40.0 -10.9 28.9 11.4 199 205 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 111.8 49.8 -65.2 -42.8 -7.5 28.9 9.6 200 206 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.875 103.0 61.8 -67.0 -35.8 -6.9 25.3 10.7 201 207 A H H X S+ 0 0 50 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.932 110.7 38.9 -51.1 -51.1 -10.3 24.3 9.4 202 208 A W H ><>S+ 0 0 63 -4,-1.5 5,-2.1 1,-0.2 3,-0.6 0.854 111.0 58.1 -74.0 -34.5 -9.2 25.3 5.9 203 209 A M H ><5S+ 0 0 1 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.936 104.8 53.2 -52.2 -46.1 -5.7 23.9 6.3 204 210 A S H 3<5S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.705 103.7 56.3 -69.0 -20.3 -7.4 20.6 7.0 205 211 A R T <<5S- 0 0 158 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.265 123.4-101.8 -94.2 10.9 -9.4 20.8 3.7 206 212 A G T < 5 + 0 0 62 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.595 68.1 154.0 85.1 12.0 -6.2 21.2 1.7 207 213 A K < - 0 0 60 -5,-2.1 -1,-0.3 1,-0.1 2,-0.1 -0.512 39.8-128.8 -73.5 136.7 -6.4 25.0 1.1 208 214 A T > - 0 0 72 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.401 30.2-102.3 -73.3 162.2 -3.2 26.9 0.5 209 215 A N H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.868 124.5 51.6 -50.7 -41.8 -2.3 29.9 2.6 210 216 A W H > S+ 0 0 158 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 109.1 49.3 -64.8 -44.8 -3.4 32.2 -0.4 211 217 A E H > S+ 0 0 86 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.906 111.8 49.3 -58.7 -43.0 -6.7 30.4 -0.7 212 218 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.915 109.1 52.5 -62.0 -44.7 -7.2 30.8 3.1 213 219 A A H X>S+ 0 0 3 -4,-2.6 5,-1.7 -5,-0.2 4,-1.0 0.942 111.3 47.3 -54.7 -48.8 -6.4 34.5 2.7 214 220 A T H ><5S+ 0 0 86 -4,-2.7 3,-0.8 3,-0.2 -2,-0.2 0.967 113.3 47.2 -57.5 -53.3 -9.0 34.8 -0.0 215 221 A I H 3<5S+ 0 0 74 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.870 122.1 35.3 -57.9 -40.9 -11.7 33.0 2.0 216 222 A L H 3<5S- 0 0 33 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.470 106.4-128.1 -93.3 -3.5 -11.0 35.0 5.2 217 223 A N T <<5 + 0 0 147 -4,-1.0 2,-0.3 -3,-0.8 -3,-0.2 0.945 67.7 116.0 52.9 54.9 -10.3 38.2 3.3 218 224 A I S - 0 0 45 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.380 30.7-121.5 -70.4 156.8 -3.4 39.1 3.5 220 226 A E H > S+ 0 0 72 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.796 114.0 68.1 -62.1 -30.2 -1.3 35.9 3.2 221 227 A R H > S+ 0 0 188 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.939 104.4 41.4 -51.2 -50.2 1.1 37.7 5.5 222 228 A T H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 112.3 53.9 -65.9 -43.7 -1.5 37.4 8.3 223 229 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.918 105.5 54.3 -57.0 -45.0 -2.4 33.8 7.3 224 230 A K H X S+ 0 0 120 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.887 107.1 51.6 -57.6 -41.1 1.3 32.8 7.6 225 231 A F H X S+ 0 0 123 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.929 111.9 44.9 -59.4 -51.2 1.4 34.2 11.1 226 232 A H H X S+ 0 0 27 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.904 111.7 53.1 -62.1 -41.4 -1.6 32.3 12.2 227 233 A V H X S+ 0 0 8 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.904 107.3 51.5 -61.9 -42.4 -0.3 29.1 10.5 228 234 A A H X S+ 0 0 56 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.910 111.1 48.7 -60.1 -41.0 3.0 29.4 12.4 229 235 A N H X S+ 0 0 27 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.853 110.0 51.0 -67.3 -36.9 1.0 29.8 15.7 230 236 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.940 110.8 48.5 -63.8 -49.0 -1.1 26.7 14.8 231 237 A I H <>S+ 0 0 33 -4,-2.6 5,-3.0 1,-0.2 -2,-0.2 0.896 114.5 46.5 -57.0 -43.0 2.0 24.6 14.1 232 238 A R H ><5S+ 0 0 138 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.934 110.3 51.7 -65.1 -49.5 3.6 25.8 17.4 233 239 A K H 3<5S+ 0 0 30 -4,-2.7 -43,-2.0 1,-0.3 -1,-0.2 0.735 112.8 45.9 -62.2 -24.2 0.5 25.2 19.5 234 240 A L T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -45,-0.2 -2,-0.2 0.308 108.9-124.4 -98.6 6.1 0.2 21.6 18.1 235 241 A N T < 5 + 0 0 81 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.877 57.1 160.1 49.2 42.2 3.9 21.0 18.7 236 242 A A < - 0 0 15 -5,-3.0 -1,-0.2 -6,-0.2 3,-0.1 -0.528 49.1-136.4 -93.0 162.1 4.1 20.1 15.0 237 243 A N S S- 0 0 138 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.683 81.0 -16.9 -88.3 -21.4 7.2 20.0 12.8 238 244 A N S > S- 0 0 78 -7,-0.1 4,-2.3 1,-0.1 -1,-0.2 -0.968 80.0 -76.7-170.6 175.7 5.5 21.7 9.8 239 245 A R H > S+ 0 0 64 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.889 126.1 45.9 -52.4 -49.2 2.3 22.7 8.2 240 246 A T H > S+ 0 0 102 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.834 111.8 51.1 -68.2 -36.5 1.5 19.2 6.9 241 247 A H H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.881 104.5 58.6 -66.6 -39.3 2.4 17.5 10.2 242 248 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.882 99.9 57.0 -60.8 -38.3 0.1 20.0 12.1 243 249 A I H < S+ 0 0 37 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.887 112.3 41.6 -60.6 -40.3 -2.9 18.8 10.0 244 250 A V H >< S+ 0 0 92 -4,-1.1 3,-1.5 -3,-0.3 4,-0.2 0.953 117.1 46.0 -67.5 -52.1 -2.2 15.2 11.1 245 251 A L H 3< S+ 0 0 65 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.778 115.8 47.4 -65.5 -27.6 -1.5 16.1 14.8 246 252 A G T >X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.3 3,-1.3 0.294 74.5 112.8 -96.7 8.8 -4.6 18.4 15.0 247 253 A M H <> S+ 0 0 92 -3,-1.5 4,-2.6 1,-0.3 5,-0.2 0.858 71.3 61.6 -52.6 -37.4 -7.0 16.0 13.4 248 254 A H H 3> S+ 0 0 89 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.3 0.895 103.4 50.5 -55.4 -39.5 -8.9 15.7 16.7 249 255 A L H <4 S+ 0 0 51 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.0 45.9 -66.5 -40.2 -9.7 19.4 16.5 250 256 A A H < S+ 0 0 33 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.829 113.1 51.3 -71.2 -32.8 -11.0 19.2 12.9 251 257 A M H < S+ 0 0 134 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.850 124.4 23.4 -75.4 -36.6 -13.1 16.1 13.7 252 258 A T < + 0 0 72 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.551 65.1 159.5-129.2 71.0 -14.9 17.5 16.8 253 259 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.716 74.9 26.8 -63.7 -21.6 -14.8 21.4 16.4 254 260 A R S S- 0 0 186 -3,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.923 106.0 -70.5-135.9 167.7 -17.7 21.5 18.8 255 261 A E - 0 0 179 -2,-0.3 2,-0.2 1,-0.1 -3,-0.0 -0.313 53.7-118.1 -54.9 128.2 -19.2 19.4 21.7 256 262 A L - 0 0 121 -4,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.519 28.3-125.2 -67.2 134.6 -20.7 16.2 20.3 257 263 A V 0 0 141 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.731 360.0 360.0 -86.5 129.6 -24.4 16.1 21.1 258 264 A N 0 0 202 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.287 360.0 360.0-135.2 360.0 -25.7 13.0 22.9