==== 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 3QP1 . 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 . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 70.8 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 . 31 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 1 0 0 1 0 0 2 0 1 0 0 0 0 0 0 1 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 0 0 0 0 1 2 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 9 A M 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.8 9.9 34.9 42.7 2 10 A R - 0 0 57 162,-0.1 2,-0.0 1,-0.1 0, 0.0 -0.387 360.0-106.4 -66.8 139.1 11.8 32.9 40.0 3 11 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.354 32.8-107.2 -67.5 145.4 10.8 33.8 36.5 4 12 A L - 0 0 123 1,-0.1 158,-0.1 161,-0.0 2,-0.0 -0.398 48.0 -91.7 -65.6 152.0 8.6 31.4 34.4 5 13 A P - 0 0 31 0, 0.0 3,-0.3 0, 0.0 2,-0.3 -0.308 32.3-138.9 -68.9 145.5 10.5 29.5 31.7 6 14 A A S S+ 0 0 103 1,-0.2 155,-0.1 -3,-0.1 0, 0.0 -0.736 79.3 32.9 -94.4 154.3 10.8 30.7 28.1 7 15 A G S S+ 0 0 79 -2,-0.3 -1,-0.2 1,-0.3 2,-0.2 0.525 73.4 148.3 85.1 8.2 10.4 28.4 25.1 8 16 A L - 0 0 17 -3,-0.3 -1,-0.3 1,-0.1 2,-0.1 -0.478 47.0-121.8 -69.4 143.1 7.9 25.9 26.5 9 17 A T > - 0 0 70 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.408 32.6-101.6 -71.9 163.3 5.6 24.3 24.0 10 18 A A H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.819 126.1 52.4 -54.0 -35.3 1.8 24.7 24.6 11 19 A S H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 111.2 44.8 -68.3 -43.1 1.8 21.2 26.0 12 20 A Q H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.886 112.5 52.6 -68.5 -40.2 4.6 21.9 28.4 13 21 A Q H X S+ 0 0 113 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.913 110.8 47.7 -60.0 -44.0 3.0 25.2 29.4 14 22 A W H X S+ 0 0 151 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.908 109.6 52.3 -65.1 -42.6 -0.2 23.4 30.1 15 23 A T H X S+ 0 0 23 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.947 111.4 47.1 -55.9 -48.1 1.6 20.7 32.1 16 24 A L H X S+ 0 0 9 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.901 111.8 50.3 -62.1 -44.1 3.3 23.4 34.3 17 25 A L H X S+ 0 0 97 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.942 111.7 47.9 -59.5 -46.9 -0.0 25.2 34.7 18 26 A E H X S+ 0 0 91 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.901 112.0 51.4 -58.1 -44.3 -1.7 21.9 35.8 19 27 A W H X S+ 0 0 7 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.942 113.4 41.5 -61.2 -48.2 1.2 21.2 38.2 20 28 A I H X S+ 0 0 41 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.904 115.5 51.4 -71.7 -34.1 1.1 24.6 40.0 21 29 A H H < S+ 0 0 124 -4,-2.6 4,-0.3 -5,-0.3 -2,-0.2 0.953 113.9 43.7 -62.2 -48.0 -2.7 24.5 40.0 22 30 A M H >< S+ 0 0 77 -4,-2.8 3,-2.0 1,-0.2 4,-0.4 0.912 109.2 57.5 -63.0 -42.2 -2.7 21.0 41.6 23 31 A A H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.885 100.2 58.1 -59.5 -38.2 0.1 21.9 44.0 24 32 A G T 3< S+ 0 0 44 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.569 104.2 52.5 -70.9 -5.7 -2.0 24.8 45.4 25 33 A H T < S+ 0 0 119 -3,-2.0 2,-0.4 -4,-0.3 -1,-0.3 0.395 80.1 117.6-105.0 -0.9 -4.7 22.4 46.4 26 34 A I < + 0 0 7 -3,-1.5 150,-0.1 -4,-0.4 151,-0.1 -0.539 22.4 153.0 -73.9 126.1 -2.5 20.0 48.3 27 35 A E + 0 0 106 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.583 55.0 50.4-123.6 -23.6 -3.5 19.7 52.0 28 36 A T S > S- 0 0 55 1,-0.1 4,-2.6 150,-0.0 5,-0.2 -0.828 75.8-120.1-124.3 158.3 -2.3 16.2 53.1 29 37 A E H > S+ 0 0 102 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.885 117.1 55.8 -59.6 -40.1 0.8 14.0 52.9 30 38 A N H > S+ 0 0 140 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 110.1 43.5 -53.5 -53.2 -1.3 11.5 51.0 31 39 A E H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.871 113.0 53.6 -61.7 -39.2 -2.2 14.2 48.3 32 40 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.923 111.3 43.9 -65.0 -46.6 1.4 15.4 48.3 33 41 A K H X S+ 0 0 74 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.927 113.5 51.7 -62.3 -44.8 2.8 11.9 47.6 34 42 A A H X S+ 0 0 57 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.882 111.3 48.0 -60.3 -38.3 0.1 11.2 45.0 35 43 A F H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.913 109.9 50.7 -70.5 -40.9 1.0 14.5 43.3 36 44 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.849 106.6 55.9 -65.4 -32.2 4.7 13.8 43.3 37 45 A D H X S+ 0 0 68 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.908 108.4 49.2 -61.0 -43.3 4.0 10.3 41.8 38 46 A Q H < S+ 0 0 97 -4,-1.6 -2,-0.2 2,-0.2 4,-0.2 0.915 111.8 46.5 -61.8 -47.9 2.2 12.2 39.0 39 47 A V H >< S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.912 109.6 55.2 -61.2 -44.2 5.1 14.6 38.4 40 48 A L H >< S+ 0 0 27 -4,-2.7 3,-2.0 1,-0.3 5,-0.4 0.875 96.9 65.2 -54.8 -40.7 7.5 11.6 38.5 41 49 A S T 3< S+ 0 0 76 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.540 102.6 49.5 -62.5 -8.5 5.5 10.0 35.7 42 50 A Q T < S+ 0 0 110 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.350 98.5 79.8-109.4 1.0 6.5 12.9 33.4 43 51 A A S < S- 0 0 15 -3,-2.0 2,-2.0 2,-0.2 109,-0.0 -0.843 82.5-117.9-116.3 148.2 10.3 12.9 34.0 44 52 A P S S+ 0 0 58 0, 0.0 108,-0.4 0, 0.0 2,-0.3 -0.362 90.6 76.8 -80.2 57.2 13.2 10.7 32.7 45 53 A S - 0 0 18 -2,-2.0 -2,-0.2 -5,-0.4 105,-0.1 -0.962 60.6-157.0-151.9 163.6 14.0 9.4 36.1 46 54 A E S S+ 0 0 164 103,-0.4 2,-0.5 -2,-0.3 104,-0.1 0.319 74.3 80.8-121.1 4.5 12.5 7.0 38.5 47 55 A R E +A 149 0A 76 102,-0.6 102,-2.5 -7,-0.1 2,-0.4 -0.904 50.0 156.0-127.6 108.1 14.0 8.4 41.7 48 56 A L E +A 148 0A 1 -2,-0.5 23,-2.2 100,-0.2 22,-1.8 -0.963 10.3 174.7-132.7 142.1 12.5 11.4 43.5 49 57 A L E -AB 147 69A 12 98,-2.2 98,-2.9 -2,-0.4 2,-0.4 -0.996 12.2-159.1-146.5 141.5 12.6 12.7 47.1 50 58 A L E -AB 146 68A 3 18,-2.4 18,-3.4 -2,-0.3 2,-0.4 -0.972 14.2-176.2-117.9 135.8 11.2 15.9 48.8 51 59 A A E -AB 145 67A 4 94,-2.4 94,-2.4 -2,-0.4 2,-0.4 -0.989 14.2-154.7-132.7 147.8 12.6 17.2 52.1 52 60 A L E +AB 144 66A 5 14,-2.8 13,-3.1 -2,-0.4 14,-1.7 -0.955 22.9 176.4-118.1 137.1 11.6 20.1 54.3 53 61 A G E -AB 143 64A 0 90,-3.0 90,-2.7 -2,-0.4 2,-0.3 -0.976 34.7-118.6-143.7 150.0 14.2 21.7 56.7 54 62 A R E -AB 142 63A 74 9,-2.5 8,-3.4 -2,-0.3 9,-1.5 -0.731 45.0-137.7 -81.5 141.9 14.7 24.4 59.2 55 63 A L E - B 0 61A 4 86,-2.5 6,-0.2 -2,-0.3 2,-0.1 -0.690 6.5-132.9-110.8 154.6 17.5 26.7 57.9 56 64 A N > - 0 0 39 4,-2.7 3,-1.7 -2,-0.3 -1,-0.1 -0.183 52.0 -81.9 -83.4-172.6 20.5 28.5 59.3 57 65 A N T 3 S+ 0 0 155 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.617 131.3 54.7 -73.3 -6.3 21.2 32.2 58.5 58 66 A Q T 3 S- 0 0 120 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.091 120.3-106.2-109.1 17.8 22.8 31.2 55.2 59 67 A N S < S+ 0 0 36 -3,-1.7 37,-2.5 1,-0.2 2,-0.3 0.726 75.8 137.5 64.6 24.7 19.6 29.3 54.1 60 68 A Q - 0 0 39 35,-0.2 -4,-2.7 1,-0.0 2,-0.3 -0.782 64.8 -99.0 -96.6 147.3 21.3 25.9 54.5 61 69 A I E +B 55 0A 24 33,-0.4 -6,-0.3 31,-0.4 3,-0.1 -0.473 42.9 169.8 -64.7 124.1 19.3 23.1 56.2 62 70 A Q E S+ 0 0 134 -8,-3.4 2,-0.3 1,-0.4 -7,-0.2 0.596 72.0 19.6-106.8 -20.1 20.3 22.8 59.9 63 71 A R E S-B 54 0A 149 -9,-1.5 -9,-2.5 -7,-0.0 2,-0.5 -0.962 73.7-130.7-149.9 130.6 17.5 20.3 60.8 64 72 A L E +B 53 0A 64 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.716 23.7 177.4 -81.3 126.3 15.4 18.0 58.7 65 73 A E E + 0 0 68 -13,-3.1 2,-0.3 -2,-0.5 -12,-0.2 0.781 68.1 3.4 -96.2 -38.0 11.7 18.4 59.5 66 74 A R E -B 52 0A 113 -14,-1.7 -14,-2.8 2,-0.0 2,-0.5 -0.975 55.1-163.9-152.5 134.0 10.1 16.0 57.0 67 75 A V E -B 51 0A 72 -2,-0.3 2,-0.8 -16,-0.2 -16,-0.2 -0.982 8.8-169.1-120.3 115.8 11.5 13.6 54.4 68 76 A L E -B 50 0A 21 -18,-3.4 -18,-2.4 -2,-0.5 2,-0.5 -0.866 6.9-160.7-106.7 100.6 9.0 12.4 51.8 69 77 A N E +B 49 0A 43 -2,-0.8 -20,-0.2 -20,-0.2 -2,-0.0 -0.660 17.7 170.3 -80.4 124.7 10.5 9.6 49.8 70 78 A V S S- 0 0 16 -22,-1.8 -21,-0.2 -2,-0.5 -1,-0.2 0.852 77.6 -20.0 -96.4 -48.7 8.7 9.2 46.6 71 79 A S S S+ 0 0 31 -23,-2.2 -22,-0.2 2,-0.1 -2,-0.1 0.196 85.6 131.2-155.1 19.6 11.0 6.7 44.8 72 80 A Y S S- 0 0 24 -24,-0.7 2,-0.1 -25,-0.2 -25,-0.0 -0.581 75.5 -92.8 -63.6 140.6 14.5 6.6 46.2 73 81 A P >> - 0 0 42 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.423 30.7-136.2 -54.7 127.2 15.5 3.0 46.8 74 82 A S H 3> S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.850 104.5 58.0 -57.8 -35.6 14.5 2.2 50.4 75 83 A D H 3> S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 106.3 48.8 -61.7 -37.8 17.8 0.4 50.9 76 84 A W H <> S+ 0 0 7 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.934 112.4 47.3 -68.0 -46.0 19.7 3.6 49.9 77 85 A L H X S+ 0 0 32 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.915 110.9 52.2 -60.6 -44.2 17.7 5.7 52.3 78 86 A D H X S+ 0 0 103 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.934 112.5 45.0 -54.6 -50.0 18.2 3.2 55.1 79 87 A Q H X S+ 0 0 52 -4,-2.1 4,-2.9 1,-0.2 6,-0.2 0.896 110.4 55.3 -60.3 -39.9 21.9 3.3 54.5 80 88 A Y H <>S+ 0 0 24 -4,-2.5 5,-2.4 2,-0.2 6,-0.5 0.907 115.3 37.8 -62.0 -42.9 21.9 7.1 54.3 81 89 A M H ><5S+ 0 0 132 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.960 117.9 49.0 -73.0 -51.4 20.2 7.3 57.7 82 90 A K H 3<5S+ 0 0 170 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.875 116.7 41.6 -56.1 -45.4 22.2 4.5 59.3 83 91 A E T 3<5S- 0 0 98 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.376 108.7-123.7 -88.7 3.9 25.5 5.8 58.1 84 92 A N T X 5 + 0 0 83 -3,-1.3 3,-1.5 -4,-0.2 4,-0.3 0.881 48.5 163.2 57.2 43.6 24.7 9.4 58.9 85 93 A Y G >>< + 0 0 20 -5,-2.4 4,-2.4 1,-0.3 3,-1.7 0.708 59.0 82.3 -66.1 -20.3 25.3 10.6 55.4 86 94 A A G 34 S+ 0 0 27 -6,-0.5 -1,-0.3 1,-0.3 6,-0.1 0.833 90.3 53.8 -52.4 -30.0 23.4 13.8 56.1 87 95 A Q G <4 S+ 0 0 110 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.743 119.8 30.6 -77.5 -19.5 26.6 15.0 57.6 88 96 A H T <4 S+ 0 0 49 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.2 0.525 87.2 109.8-116.8 -11.7 28.7 14.3 54.5 89 97 A D >< - 0 0 13 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 -0.601 55.3-153.1 -77.5 113.7 26.2 14.8 51.6 90 98 A P G > S+ 0 0 12 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.775 92.4 67.2 -55.7 -27.5 27.2 17.9 49.6 91 99 A I G > S+ 0 0 7 1,-0.3 3,-1.3 2,-0.2 -5,-0.1 0.853 93.9 56.0 -65.2 -34.6 23.5 18.3 48.5 92 100 A L G < S+ 0 0 21 -3,-1.3 -31,-0.4 1,-0.2 -1,-0.3 0.530 100.6 61.5 -77.1 -1.5 22.5 19.0 52.1 93 101 A R G < S+ 0 0 93 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.373 76.4 122.2-101.1 2.0 25.0 21.9 52.1 94 102 A I S < S- 0 0 2 -3,-1.3 2,-1.0 -4,-0.2 -33,-0.4 -0.300 71.0-118.9 -60.8 145.5 23.3 23.8 49.3 95 103 A H > - 0 0 71 -35,-0.1 3,-1.4 4,-0.1 -35,-0.2 -0.815 40.4-126.7 -84.0 104.4 22.1 27.4 50.0 96 104 A L T 3 S+ 0 0 1 -37,-2.5 40,-0.1 -2,-1.0 49,-0.1 -0.270 88.4 26.2 -61.4 139.3 18.4 26.9 49.4 97 105 A G T 3 S+ 0 0 34 47,-0.2 -1,-0.2 2,-0.1 39,-0.1 0.483 89.0 108.7 89.5 5.3 16.8 29.2 46.9 98 106 A Q S < S- 0 0 153 -3,-1.4 -2,-0.1 1,-0.3 37,-0.1 0.223 89.3 -81.7-100.3 13.2 20.0 29.9 45.0 99 107 A G - 0 0 27 35,-0.2 -1,-0.3 65,-0.1 -2,-0.1 -0.189 64.8 -42.8 108.9 162.4 19.1 27.9 41.8 100 108 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 33,-0.2 -0.314 54.3-145.8 -62.0 140.0 19.1 24.2 40.6 101 109 A V E -C 132 0A 12 31,-2.4 31,-2.2 -10,-0.0 2,-0.5 -0.950 0.7-146.2-115.9 121.7 22.2 22.3 41.6 102 110 A M E > -C 131 0A 55 -2,-0.5 4,-2.1 29,-0.2 29,-0.2 -0.750 11.0-145.9 -84.8 126.6 23.6 19.6 39.3 103 111 A W H > S+ 0 0 10 27,-2.7 4,-3.7 -2,-0.5 5,-0.3 0.914 93.7 53.5 -65.6 -45.1 25.1 16.8 41.4 104 112 A E H > S+ 0 0 82 26,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.919 111.6 47.7 -57.0 -43.4 28.0 15.8 39.1 105 113 A E H > S+ 0 0 123 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.924 116.2 43.1 -62.3 -46.6 29.1 19.4 39.1 106 114 A R H >< S+ 0 0 84 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.899 114.2 51.3 -66.0 -40.3 28.9 19.8 42.8 107 115 A F H >< S+ 0 0 16 -4,-3.7 3,-1.8 1,-0.2 -2,-0.2 0.905 102.1 59.2 -65.8 -41.4 30.4 16.4 43.5 108 116 A N H 3< S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.731 105.1 52.3 -58.3 -23.8 33.5 17.1 41.2 109 117 A R T << S+ 0 0 196 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.416 81.5 118.0 -94.8 -4.1 34.3 20.1 43.5 110 118 A A < + 0 0 20 -3,-1.8 -3,-0.0 -4,-0.3 3,-0.0 -0.373 33.9 176.0 -68.3 147.0 34.2 18.2 46.8 111 119 A K + 0 0 181 -2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.646 42.7 96.9-125.2 -30.0 37.5 18.1 48.8 112 120 A G S > S- 0 0 27 1,-0.1 4,-2.4 -24,-0.1 5,-0.2 -0.366 70.0-129.8 -72.7 148.8 36.9 16.3 52.1 113 121 A A H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.883 110.4 47.5 -63.3 -41.0 37.8 12.6 52.6 114 122 A E H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 111.3 51.4 -69.6 -37.6 34.3 11.9 54.1 115 123 A E H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.912 110.8 48.0 -63.1 -45.2 32.6 13.8 51.3 116 124 A K H X S+ 0 0 128 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.891 110.1 53.0 -64.2 -40.1 34.6 11.8 48.7 117 125 A R H X S+ 0 0 146 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.936 110.7 46.7 -56.9 -51.3 33.6 8.5 50.5 118 126 A F H X S+ 0 0 6 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.920 111.3 51.5 -57.2 -46.8 30.0 9.5 50.4 119 127 A I H X S+ 0 0 23 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.919 109.3 50.2 -58.3 -43.9 30.2 10.4 46.7 120 128 A A H X S+ 0 0 53 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.919 114.3 44.8 -60.6 -44.3 31.8 7.0 45.9 121 129 A E H X S+ 0 0 53 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.913 112.2 50.2 -67.0 -44.3 29.1 5.2 47.8 122 130 A A H ><>S+ 0 0 1 -4,-3.4 5,-2.7 1,-0.2 3,-0.7 0.950 109.3 54.0 -58.4 -44.6 26.3 7.3 46.2 123 131 A T H ><5S+ 0 0 79 -4,-2.8 3,-1.6 4,-0.3 5,-0.4 0.892 105.6 51.4 -55.6 -46.5 27.8 6.6 42.8 124 132 A Q H 3<5S+ 0 0 153 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.768 108.5 54.1 -62.9 -25.8 27.7 2.8 43.4 125 133 A N T <<5S- 0 0 49 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.238 123.9-101.2 -96.7 15.1 24.1 3.1 44.3 126 134 A G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 -5,-0.1 3,-0.2 0.671 97.5 108.7 77.7 21.0 23.0 4.9 41.1 127 135 A M < + 0 0 3 -5,-2.7 -4,-0.3 -6,-0.2 -5,-0.1 -0.040 37.1 104.5-116.4 24.4 23.0 8.3 42.8 128 136 A G S S+ 0 0 13 -5,-0.4 2,-0.4 -6,-0.4 -5,-0.2 0.675 82.0 44.0 -80.3 -18.2 26.1 9.8 41.2 129 137 A S S S+ 0 0 13 -3,-0.2 21,-2.8 -7,-0.1 2,-0.3 -0.974 74.1 94.2-129.5 145.0 24.0 12.0 38.9 130 138 A G E - D 0 149A 10 -2,-0.4 -27,-2.7 19,-0.3 -26,-0.4 -0.981 52.5 -99.3 165.7-166.9 21.0 14.2 39.5 131 139 A I E -CD 102 148A 0 17,-2.4 17,-2.7 -2,-0.3 2,-0.5 -0.996 15.5-154.8-146.1 143.5 19.6 17.6 40.3 132 140 A T E -CD 101 147A 1 -31,-2.2 -31,-2.4 -2,-0.3 2,-0.2 -0.985 8.3-166.9-125.7 124.1 18.2 19.3 43.4 133 141 A F E - D 0 146A 0 13,-2.9 13,-2.7 -2,-0.5 2,-0.3 -0.675 15.2-172.2 -98.2 156.4 15.8 22.2 43.2 134 142 A S E - D 0 145A 2 -2,-0.2 2,-0.3 11,-0.2 11,-0.2 -0.987 19.6-173.0-152.1 157.6 15.1 24.3 46.3 135 143 A A E - D 0 144A 3 9,-2.0 9,-2.4 -2,-0.3 2,-0.3 -0.981 11.2-160.5-146.5 149.7 13.0 27.1 47.8 136 144 A A E - D 0 143A 35 -2,-0.3 2,-0.5 7,-0.2 7,-0.3 -0.988 9.1-159.4-136.4 147.0 13.2 29.0 51.1 137 145 A S E > > - D 0 142A 22 5,-3.4 5,-2.5 -2,-0.3 3,-0.7 -0.987 2.1-168.5-119.3 114.5 10.8 31.0 53.3 138 146 A E T 3 5S+ 0 0 91 -2,-0.5 -1,-0.1 3,-0.2 5,-0.1 0.515 73.1 93.7 -83.5 0.6 12.4 33.4 55.7 139 147 A R T 3 5S- 0 0 183 1,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.927 120.2 -5.5 -49.3 -45.8 9.0 33.9 57.3 140 148 A N T < 5S- 0 0 43 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 -0.074 104.3-100.5-144.0 44.9 10.3 31.1 59.6 141 149 A N T 5S+ 0 0 52 1,-0.2 -86,-2.5 -87,-0.1 2,-0.4 0.903 74.8 143.0 38.6 60.8 13.6 30.0 58.1 142 150 A I E < +AD 54 137A 9 -5,-2.5 -5,-3.4 -88,-0.2 2,-0.3 -0.984 22.4 171.9-129.1 139.7 12.1 27.0 56.5 143 151 A G E -AD 53 136A 0 -90,-2.7 -90,-3.0 -2,-0.4 2,-0.3 -0.968 18.4-142.4-142.9 165.0 13.0 25.6 53.1 144 152 A S E -AD 52 135A 0 -9,-2.4 -9,-2.0 -2,-0.3 2,-0.4 -0.952 4.7-157.7-126.4 149.5 12.4 22.6 50.8 145 153 A I E -AD 51 134A 5 -94,-2.4 -94,-2.4 -2,-0.3 2,-0.5 -0.963 2.0-161.4-119.8 141.2 14.6 20.6 48.5 146 154 A L E -AD 50 133A 0 -13,-2.7 -13,-2.9 -2,-0.4 2,-0.4 -0.986 16.3-168.7-118.9 117.4 13.3 18.5 45.5 147 155 A S E -AD 49 132A 5 -98,-2.9 -98,-2.2 -2,-0.5 2,-0.4 -0.896 10.9-177.1-110.5 135.9 15.8 15.9 44.4 148 156 A I E -AD 48 131A 2 -17,-2.7 -17,-2.4 -2,-0.4 2,-0.3 -0.990 16.5-145.8-131.6 124.7 15.7 13.8 41.3 149 157 A A E +AD 47 130A 3 -102,-2.5 -102,-0.6 -2,-0.4 -103,-0.4 -0.670 51.8 62.3 -95.2 144.5 18.4 11.3 40.5 150 158 A G S S- 0 0 25 -21,-2.8 4,-0.3 -2,-0.3 -2,-0.1 -0.576 74.2-104.0 129.9 167.6 19.6 10.4 37.0 151 159 A R S > S+ 0 0 137 -2,-0.2 4,-0.6 2,-0.1 -21,-0.1 0.704 104.0 67.4 -94.4 -26.4 21.4 12.0 34.1 152 160 A E T >4 S+ 0 0 100 -108,-0.4 3,-0.9 1,-0.2 4,-0.4 0.864 91.2 58.2 -70.2 -38.7 18.5 12.5 31.7 153 161 A P G >4 S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 7,-0.4 0.938 104.1 52.7 -56.7 -45.3 16.5 15.1 33.7 154 162 A G G 34 S+ 0 0 24 -4,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.691 104.9 56.7 -62.6 -21.7 19.4 17.6 33.7 155 163 A R G << S+ 0 0 152 -3,-0.9 2,-0.8 -4,-0.6 -1,-0.3 0.455 89.9 79.2 -89.6 -5.8 19.7 17.3 29.9 156 164 A N <> - 0 0 65 -3,-1.9 4,-2.6 -4,-0.4 5,-0.2 -0.841 62.8-172.3-106.5 91.9 16.1 18.3 29.3 157 165 A A H > S+ 0 0 81 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.849 82.9 51.5 -57.0 -38.4 16.2 22.1 29.7 158 166 A A H > S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 110.6 47.3 -65.9 -44.6 12.4 22.5 29.6 159 167 A L H > S+ 0 0 9 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.920 110.8 51.9 -64.0 -45.3 11.8 19.9 32.3 160 168 A V H X S+ 0 0 26 -4,-2.6 4,-2.6 -7,-0.4 -1,-0.2 0.937 112.2 46.5 -54.0 -47.3 14.5 21.4 34.5 161 169 A A H X S+ 0 0 28 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.898 113.5 48.9 -65.7 -41.8 12.8 24.9 34.1 162 170 A M H X S+ 0 0 9 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.940 113.7 44.5 -62.0 -52.8 9.4 23.4 34.8 163 171 A L H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.892 111.3 55.2 -60.4 -38.9 10.4 21.5 37.9 164 172 A N H < S+ 0 0 28 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.923 110.4 45.1 -59.3 -44.7 12.4 24.6 39.1 165 173 A C H < S+ 0 0 7 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.825 111.4 53.2 -70.6 -31.1 9.2 26.7 38.8 166 174 A L H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-1.3 0.830 91.4 79.6 -67.6 -31.0 7.1 24.1 40.5 167 175 A T H 3X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.845 86.7 52.1 -53.1 -48.6 9.4 23.9 43.5 168 176 A P H 3> S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.833 112.1 49.2 -59.0 -29.2 8.3 27.0 45.4 169 177 A H H <> S+ 0 0 74 -3,-1.3 4,-2.0 -4,-0.4 -2,-0.2 0.849 108.6 50.7 -78.7 -35.4 4.7 25.7 45.1 170 178 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.885 109.1 54.9 -61.9 -39.0 5.7 22.3 46.4 171 179 A H H X S+ 0 0 4 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.950 107.8 46.7 -57.6 -51.6 7.4 24.1 49.3 172 180 A Q H X S+ 0 0 98 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.902 113.6 49.7 -60.5 -40.0 4.2 25.9 50.2 173 181 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.933 109.2 51.6 -62.8 -45.1 2.3 22.6 50.0 174 182 A A H X S+ 0 0 8 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.872 108.4 51.5 -58.6 -41.8 4.9 20.9 52.2 175 183 A I H < S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.943 110.5 48.7 -61.2 -46.1 4.5 23.6 54.8 176 184 A R H < S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.904 112.6 48.4 -59.1 -43.0 0.8 23.1 54.7 177 185 A V H < 0 0 28 -4,-2.5 -148,-0.2 1,-0.2 -1,-0.2 0.914 360.0 360.0 -63.3 -47.3 1.2 19.3 55.1 178 186 A A < 0 0 62 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.838 360.0 360.0 -66.3 360.0 3.7 19.7 58.0