==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 08-NOV-09 3KLO . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR VPST; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR P.V.KRASTEVA,V.A.S.NAVARRO,H.SONDERMANN . 819 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 615 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 56 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 8 1 0 3 0 1 4 6 7 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 4 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 3 A D 0 0 115 0, 0.0 3,-0.3 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 136.2 -48.8 17.2 34.8 2 4 A E + 0 0 204 1,-0.2 4,-0.1 4,-0.0 29,-0.1 0.832 360.0 57.0 -67.1 -34.5 -46.6 19.9 33.1 3 5 A N S S+ 0 0 97 2,-0.1 -1,-0.2 556,-0.1 0, 0.0 0.853 95.7 83.1 -59.9 -39.5 -45.8 17.5 30.3 4 6 A K S S- 0 0 39 -3,-0.3 2,-0.4 1,-0.1 26,-0.3 -0.126 88.2 -98.9 -78.3 162.9 -49.5 16.9 29.3 5 7 A L E -a 30 0A 41 24,-2.0 26,-3.1 1,-0.1 2,-0.8 -0.643 36.9-124.2 -80.3 132.2 -51.8 19.0 27.2 6 8 A N E +a 31 0A 46 -2,-0.4 47,-3.0 45,-0.3 48,-1.2 -0.683 39.1 176.9 -83.9 110.3 -54.1 21.2 29.2 7 9 A V E -ab 32 54A 0 24,-2.3 26,-2.0 -2,-0.8 2,-0.5 -0.927 17.2-164.0-121.3 135.9 -57.6 20.3 28.2 8 10 A R E -ab 33 55A 5 46,-3.2 48,-2.2 -2,-0.4 2,-0.6 -0.963 9.1-153.6-124.1 121.3 -60.9 21.6 29.6 9 11 A M E -ab 34 56A 1 24,-2.6 26,-2.7 -2,-0.5 2,-1.0 -0.812 7.3-146.6-101.4 123.1 -64.2 19.8 29.0 10 12 A L E +ab 35 57A 0 46,-3.0 48,-1.6 -2,-0.6 2,-0.3 -0.749 57.7 96.6 -87.6 103.7 -67.4 21.7 29.0 11 13 A S S S- 0 0 6 -2,-1.0 2,-0.1 24,-0.5 -2,-0.0 -0.960 76.4 -70.2-166.6 176.0 -69.9 19.3 30.4 12 14 A D - 0 0 72 -2,-0.3 2,-0.5 24,-0.1 23,-0.1 -0.390 46.5-118.9 -65.5 158.6 -71.8 18.1 33.5 13 15 A V + 0 0 74 4,-0.1 2,-0.3 -2,-0.1 3,-0.1 -0.908 61.8 117.9 -94.9 136.9 -69.8 16.3 36.1 14 16 A C S > S- 0 0 35 -2,-0.5 4,-2.4 1,-0.1 5,-0.4 -0.967 79.3 -69.2-177.6 169.7 -71.3 12.8 36.5 15 17 A M H > S+ 0 0 142 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.915 130.4 45.8 -35.4 -59.3 -70.5 9.0 36.3 16 18 A Q H > S+ 0 0 133 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 111.7 48.2 -60.4 -49.8 -70.4 9.4 32.5 17 19 A S H > S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.970 113.4 47.2 -55.8 -55.8 -68.2 12.5 32.2 18 20 A R H X S+ 0 0 145 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.835 110.5 53.6 -57.5 -33.6 -65.7 11.2 34.7 19 21 A L H X S+ 0 0 104 -4,-2.1 4,-3.1 -5,-0.4 -1,-0.2 0.944 110.5 47.0 -62.4 -47.5 -65.6 7.9 32.8 20 22 A L H X S+ 0 0 38 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.932 111.2 51.1 -59.4 -45.9 -64.9 9.8 29.6 21 23 A K H X S+ 0 0 68 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.945 112.1 47.1 -58.2 -46.7 -62.2 11.9 31.3 22 24 A E H X S+ 0 0 117 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.963 110.6 52.0 -59.4 -51.8 -60.6 8.7 32.6 23 25 A A H X S+ 0 0 23 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.863 112.9 45.3 -53.8 -39.1 -60.9 7.0 29.1 24 26 A L H >X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 3,-1.1 0.964 110.7 50.4 -71.3 -50.0 -59.2 10.0 27.5 25 27 A E H 3< S+ 0 0 60 -4,-2.7 5,-0.2 1,-0.3 -2,-0.2 0.780 107.1 59.1 -61.2 -25.9 -56.3 10.5 30.0 26 28 A S H 3< S+ 0 0 16 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.820 116.8 27.9 -64.6 -37.8 -55.6 6.7 29.6 27 29 A K H << S+ 0 0 19 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.476 118.1 49.9-114.5 -5.5 -54.9 6.8 25.9 28 30 A L S < S- 0 0 4 -4,-1.6 2,-2.5 2,-0.2 -1,-0.1 -0.982 82.6-110.1-139.2 151.2 -53.6 10.3 25.2 29 31 A P S S+ 0 0 44 0, 0.0 -24,-2.0 0, 0.0 2,-0.3 -0.382 77.8 114.6 -76.8 65.3 -51.0 12.7 26.7 30 32 A L E -a 5 0A 1 -2,-2.5 2,-0.6 -26,-0.3 -24,-0.2 -0.966 59.1-142.3-143.0 154.4 -53.5 15.1 28.2 31 33 A A E -a 6 0A 30 -26,-3.1 -24,-2.3 -2,-0.3 2,-0.5 -0.926 26.9-167.6-119.0 107.6 -54.8 16.4 31.5 32 34 A L E -a 7 0A 4 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.820 11.4-179.2-106.7 128.3 -58.5 17.0 31.5 33 35 A E E -a 8 0A 104 -26,-2.0 -24,-2.6 -2,-0.5 2,-0.5 -0.888 24.9-127.9-115.0 153.5 -60.6 18.9 34.0 34 36 A I E +a 9 0A 25 -2,-0.3 -24,-0.2 -26,-0.2 -21,-0.1 -0.889 25.6 176.0-108.6 130.2 -64.4 19.3 33.7 35 37 A T E -a 10 0A 2 -26,-2.7 -24,-0.5 -2,-0.5 5,-0.1 -0.966 25.7-131.9-133.2 119.7 -66.2 22.6 33.9 36 38 A P > - 0 0 20 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.335 22.6-120.0 -66.0 148.0 -70.0 22.9 33.4 37 39 A F G > S+ 0 0 10 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.914 113.2 60.6 -54.1 -46.0 -71.1 25.6 31.0 38 40 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.712 107.2 46.1 -55.0 -22.6 -73.1 27.2 33.8 39 41 A E G X> S+ 0 0 90 -3,-1.7 3,-1.9 1,-0.2 4,-0.5 0.432 82.0 99.1-101.9 -0.4 -69.9 27.7 35.7 40 42 A L H X> S+ 0 0 0 -3,-2.2 3,-2.6 -4,-0.4 4,-1.0 0.910 74.4 62.1 -53.2 -45.9 -67.8 29.0 32.8 41 43 A W H 34 S+ 0 0 120 -4,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.683 98.9 57.6 -58.9 -17.9 -68.3 32.6 33.9 42 44 A L H <4 S+ 0 0 87 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.644 105.3 49.2 -86.1 -16.4 -66.5 31.8 37.2 43 45 A E H X< S+ 0 0 13 -3,-2.6 3,-1.9 -4,-0.5 6,-0.2 0.626 82.6 95.9 -94.4 -15.8 -63.4 30.7 35.4 44 46 A E T 3< S+ 0 0 27 -4,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.837 95.8 29.0 -46.5 -44.6 -63.1 33.7 33.1 45 47 A N T 3 S+ 0 0 133 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.276 88.1 117.9-108.3 13.6 -60.6 35.5 35.3 46 48 A K < - 0 0 85 -3,-1.9 3,-0.5 1,-0.1 4,-0.5 -0.545 64.1-133.7 -75.4 146.5 -58.8 32.6 37.0 47 49 A P S > S+ 0 0 74 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.867 103.3 59.0 -69.3 -37.7 -55.1 32.6 36.3 48 50 A E G > S+ 0 0 117 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.706 92.0 69.9 -67.8 -17.9 -55.0 28.8 35.6 49 51 A S G > S+ 0 0 0 -3,-0.5 3,-1.9 1,-0.3 -1,-0.3 0.835 85.5 68.1 -66.0 -30.5 -57.6 29.3 32.8 50 52 A R G < S+ 0 0 169 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.603 92.5 62.7 -64.5 -9.1 -55.0 31.0 30.7 51 53 A S G < S+ 0 0 75 -3,-1.3 -45,-0.3 -4,-0.2 -1,-0.3 0.496 72.3 116.6 -97.8 -4.9 -53.2 27.6 30.5 52 54 A I < + 0 0 8 -3,-1.9 -45,-0.2 -4,-0.2 28,-0.2 -0.425 33.7 175.9 -63.5 136.9 -56.0 25.8 28.7 53 55 A Q + 0 0 93 -47,-3.0 29,-2.4 1,-0.3 2,-0.3 0.441 67.1 31.1-117.9 -11.6 -54.9 24.6 25.2 54 56 A M E -bc 7 82A 2 -48,-1.2 -46,-3.2 27,-0.3 2,-0.5 -0.955 57.8-158.5-152.4 130.5 -58.1 22.7 24.3 55 57 A L E -bc 8 83A 0 27,-2.4 29,-2.6 -2,-0.3 2,-0.8 -0.950 10.0-155.8-104.7 123.9 -61.7 23.0 25.0 56 58 A V E -bc 9 84A 2 -48,-2.2 -46,-3.0 -2,-0.5 2,-0.6 -0.898 17.6-156.5 -94.1 111.4 -63.8 19.8 24.5 57 59 A I E -bc 10 85A 0 27,-3.2 29,-2.9 -2,-0.8 2,-1.1 -0.819 7.1-148.9 -99.6 116.4 -67.3 21.2 23.9 58 60 A D E > - c 0 86A 9 -48,-1.6 3,-2.5 -2,-0.6 29,-0.2 -0.711 8.6-167.0 -87.3 96.8 -70.1 18.8 24.7 59 61 A Y G > S+ 0 0 37 27,-2.5 3,-1.3 -2,-1.1 -1,-0.2 0.754 82.3 66.3 -60.5 -25.7 -72.8 19.8 22.2 60 62 A S G 3 S+ 0 0 47 26,-0.4 -1,-0.3 1,-0.3 27,-0.1 0.458 106.1 42.2 -76.5 0.2 -75.4 17.8 24.1 61 63 A R G < S+ 0 0 122 -3,-2.5 -1,-0.3 -51,-0.2 2,-0.2 0.142 93.7 111.1-125.3 17.3 -75.1 20.1 27.1 62 64 A I < + 0 0 34 -3,-1.3 2,-0.3 -4,-0.1 3,-0.0 -0.629 37.5 170.1 -98.2 152.8 -75.0 23.3 25.1 63 65 A S >> - 0 0 45 -2,-0.2 3,-1.5 1,-0.1 4,-0.7 -0.987 44.8-104.6-158.0 159.3 -77.7 26.1 25.0 64 66 A D H >> S+ 0 0 112 -2,-0.3 3,-0.6 1,-0.3 4,-0.5 0.808 113.0 58.8 -61.5 -32.6 -78.1 29.6 23.7 65 67 A D H 34 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.670 104.6 50.6 -76.2 -13.7 -77.9 31.3 27.1 66 68 A V H <> S+ 0 0 14 -3,-1.5 4,-2.5 1,-0.1 -1,-0.2 0.634 90.2 84.2 -91.8 -12.2 -74.4 29.9 27.8 67 69 A L H S+ 0 0 12 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.915 110.7 48.6 -58.4 -43.7 -70.5 33.3 28.5 70 72 A Y H X S+ 0 0 12 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.964 108.3 52.2 -60.9 -51.8 -68.5 31.0 26.3 71 73 A S H X S+ 0 0 14 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.863 112.4 44.3 -58.7 -37.3 -67.5 33.7 23.8 72 74 A S H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.858 112.7 52.6 -76.5 -32.1 -66.1 36.0 26.5 73 75 A F H X>S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 5,-0.9 0.933 110.4 48.0 -62.4 -47.6 -64.4 33.1 28.3 74 76 A K H X5S+ 0 0 15 -4,-2.9 4,-0.9 1,-0.2 7,-0.2 0.956 116.2 42.7 -59.0 -51.8 -62.6 32.1 25.2 75 77 A H H <5S+ 0 0 112 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.872 119.0 42.8 -66.8 -39.7 -61.5 35.5 24.3 76 78 A I H <5S+ 0 0 59 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.983 128.5 17.8 -71.6 -56.6 -60.4 36.6 27.8 77 79 A S H <5S+ 0 0 8 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.898 136.4 7.2 -90.1 -44.7 -58.6 33.5 29.1 78 80 A C ><< + 0 0 5 -4,-0.9 3,-1.4 -5,-0.9 -1,-0.2 -0.409 59.6 155.9-143.8 62.0 -57.6 31.2 26.2 79 81 A P T 3 S+ 0 0 55 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.686 79.5 52.1 -67.1 -17.1 -58.3 32.7 22.8 80 82 A D T 3 S+ 0 0 144 -28,-0.2 -5,-0.1 -6,-0.1 -27,-0.1 0.522 81.8 116.1 -97.2 -5.3 -55.6 30.5 21.1 81 83 A A < - 0 0 4 -3,-1.4 -27,-0.3 -7,-0.2 -28,-0.1 -0.319 68.2-118.6 -64.9 142.3 -56.9 27.2 22.5 82 84 A K E -c 54 0A 54 -29,-2.4 -27,-2.4 21,-0.0 2,-0.4 -0.446 25.6-140.4 -72.3 157.2 -58.2 24.7 20.0 83 85 A E E -cd 55 103A 4 19,-2.2 21,-3.3 -29,-0.2 22,-1.0 -0.979 16.9-174.6-123.8 141.2 -61.8 23.6 20.2 84 86 A V E -cd 56 105A 0 -29,-2.6 -27,-3.2 -2,-0.4 2,-0.4 -0.998 14.0-146.1-134.1 125.0 -63.2 20.2 19.7 85 87 A I E -cd 57 106A 0 20,-2.3 22,-2.6 -2,-0.4 2,-0.3 -0.753 14.7-173.0 -92.4 135.6 -67.0 19.3 19.6 86 88 A I E +c 58 0A 11 -29,-2.9 -27,-2.5 -2,-0.4 -26,-0.4 -0.900 67.1 25.1-120.1 160.4 -68.3 16.0 21.0 87 89 A N E S+ 0 0 53 -2,-0.3 21,-0.3 21,-0.3 -1,-0.1 0.789 79.1 171.8 59.7 30.7 -71.8 14.7 20.8 88 90 A C E - d 0 108A 0 19,-2.7 21,-2.7 -3,-0.2 22,-0.3 -0.488 39.8-107.3 -67.7 137.5 -72.6 16.8 17.7 89 91 A P > - 0 0 45 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.437 23.0-130.2 -62.0 139.5 -75.9 16.1 16.0 90 92 A Q T 3 S+ 0 0 100 1,-0.3 2,-0.5 -2,-0.1 -2,-0.1 0.889 105.1 50.5 -57.5 -42.0 -75.4 14.2 12.7 91 93 A D T 3 S+ 0 0 144 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 -0.159 81.8 148.7 -91.8 39.1 -77.7 16.5 10.8 92 94 A I < - 0 0 21 -3,-1.0 2,-0.7 -2,-0.5 3,-0.0 -0.501 53.2-111.7 -86.5 146.8 -76.0 19.7 12.0 93 95 A E >> - 0 0 125 -2,-0.2 3,-2.4 1,-0.1 4,-0.8 -0.630 22.1-139.6 -81.2 114.9 -75.9 22.8 9.8 94 96 A H H >> S+ 0 0 50 -2,-0.7 3,-1.5 1,-0.3 4,-0.7 0.801 97.9 55.9 -40.0 -49.1 -72.3 23.5 8.8 95 97 A K H 34 S+ 0 0 81 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.731 97.4 63.6 -65.3 -22.4 -72.4 27.3 9.1 96 98 A L H X4 S+ 0 0 80 -3,-2.4 3,-0.8 1,-0.2 -1,-0.3 0.810 99.0 56.8 -67.8 -28.1 -73.6 26.9 12.7 97 99 A L H X< S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.8 -1,-0.2 0.756 87.2 78.0 -71.6 -26.1 -70.2 25.3 13.4 98 100 A F T 3< S+ 0 0 4 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 0.626 75.1 75.5 -60.7 -16.1 -68.2 28.3 12.0 99 101 A K T < S+ 0 0 47 -3,-0.8 2,-1.3 -4,-0.2 -1,-0.3 0.765 75.2 84.4 -71.0 -22.9 -68.7 30.3 15.3 100 102 A W S X S- 0 0 3 -3,-1.8 3,-1.7 1,-0.2 -1,-0.1 -0.685 70.3-165.9 -78.1 98.4 -66.1 28.1 16.9 101 103 A N T 3 S+ 0 0 74 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.730 83.4 37.2 -64.4 -24.6 -63.1 30.1 15.7 102 104 A N T 3 S+ 0 0 51 -3,-0.1 -19,-2.2 -21,-0.1 -1,-0.3 -0.000 78.1 161.9-117.5 30.0 -60.6 27.4 16.5 103 105 A L E < +d 83 0A 0 -3,-1.7 -19,-0.2 -21,-0.2 3,-0.1 -0.285 4.0 165.2 -52.3 121.2 -62.7 24.4 15.6 104 106 A A E + 0 0 8 -21,-3.3 25,-2.4 1,-0.4 2,-0.3 0.640 60.4 0.1-113.0 -26.0 -60.2 21.5 15.1 105 107 A G E -de 84 129A 0 -22,-1.0 -20,-2.3 23,-0.2 2,-0.4 -0.990 52.7-146.3-163.4 153.9 -62.5 18.5 15.2 106 108 A V E -d 85 0A 3 23,-2.0 2,-0.4 -2,-0.3 -20,-0.2 -0.992 9.9-168.8-128.7 131.3 -66.0 17.3 15.4 107 109 A F E - 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0 0 23 63,-3.2 4,-0.7 -2,-0.2 -1,-0.1 0.217 12.6-110.5 -68.5-172.6 -76.6 34.7 14.3 152 154 A Q H > S+ 0 0 135 2,-0.2 4,-0.7 1,-0.1 -1,-0.1 0.835 109.8 61.1 -89.7 -37.8 -80.3 34.3 15.0 153 155 A M H >4 S+ 0 0 32 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.931 103.4 54.1 -53.2 -47.0 -80.5 36.4 18.2 154 156 A Y H >4 S+ 0 0 20 1,-0.3 3,-2.5 2,-0.2 -1,-0.2 0.932 101.4 55.2 -53.7 -54.0 -79.4 39.4 16.2 155 157 A A H 3< S+ 0 0 57 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.662 101.0 64.3 -57.2 -14.2 -82.0 39.1 13.4 156 158 A K T << S+ 0 0 161 -3,-1.4 -1,-0.3 -4,-0.7 2,-0.2 0.294 84.7 99.7 -92.6 8.3 -84.6 39.2 16.3 157 159 A L S < S- 0 0 20 -3,-2.5 -3,-0.0 1,-0.1 38,-0.0 -0.605 77.8-107.1 -95.9 156.0 -83.6 42.8 17.3 158 160 A T > - 0 0 75 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.254 40.0-101.2 -72.4 169.6 -85.5 46.0 16.5 159 161 A K H > S+ 0 0 143 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.948 121.9 48.0 -64.0 -52.0 -83.9 48.4 14.0 160 162 A R H > S+ 0 0 106 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.943 114.2 49.9 -44.2 -52.8 -82.4 50.9 16.5 161 163 A E H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.886 110.7 47.3 -63.1 -42.8 -81.1 47.9 18.4 162 164 A Q H X S+ 0 0 29 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.985 112.7 49.3 -58.7 -57.7 -79.5 46.3 15.4 163 165 A Q H X S+ 0 0 84 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.900 113.0 48.1 -48.0 -47.1 -77.9 49.5 14.3 164 166 A I H X S+ 0 0 2 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.3 0.871 114.1 45.8 -66.5 -37.6 -76.5 50.1 17.8 165 167 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -3,-0.3 -2,-0.2 0.989 106.7 56.7 -68.5 -57.9 -75.1 46.6 18.1 166 168 A K H < S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.873 111.7 45.4 -37.1 -50.6 -73.5 46.5 14.6 167 169 A L H ><>S+ 0 0 33 -4,-1.8 3,-1.8 -5,-0.3 5,-1.7 0.952 109.0 54.1 -63.5 -48.4 -71.6 49.6 15.6 168 170 A L H ><5S+ 0 0 1 -4,-2.0 3,-2.5 1,-0.3 2,-0.2 0.910 105.2 55.3 -49.4 -49.2 -70.7 48.2 19.1 169 171 A G T 3<5S+ 0 0 17 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 -0.059 100.9 58.3 -80.6 31.3 -69.2 45.1 17.4 170 172 A S T < 5S- 0 0 96 -3,-1.8 -1,-0.3 -2,-0.2 -2,-0.2 0.101 125.4-105.2-130.0 2.1 -67.0 47.4 15.3 171 173 A G T < 5 + 0 0 47 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.594 64.0 161.1 87.0 14.0 -65.6 48.7 18.6 172 174 A A < - 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0 0 70 -2,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.170 36.7-106.3 -72.2 158.9 -36.7 45.7 -8.2 376 161 B K H > S+ 0 0 141 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.878 121.2 51.9 -52.9 -44.3 -38.3 47.9 -5.5 377 162 B R H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.969 112.8 44.3 -51.6 -57.3 -39.4 50.4 -8.1 378 163 B E H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.845 112.7 52.7 -61.5 -37.0 -41.0 47.8 -10.3 379 164 B Q H X S+ 0 0 24 -4,-3.0 4,-3.3 2,-0.2 5,-0.3 0.964 109.2 48.2 -60.2 -53.7 -42.6 46.2 -7.3 380 165 B Q H X S+ 0 0 76 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.885 113.9 47.4 -55.4 -41.8 -44.2 49.5 -6.2 381 166 B I H X S+ 0 0 3 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.895 115.2 44.6 -69.8 -40.7 -45.5 50.1 -9.7 382 167 B I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 3,-0.2 0.965 108.0 56.8 -67.8 -51.5 -46.9 46.6 -10.1 383 168 B K H < S+ 0 0 91 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.836 110.3 46.2 -48.1 -38.6 -48.5 46.5 -6.6 384 169 B L H ><>S+ 0 0 35 -4,-1.4 5,-2.0 -5,-0.3 3,-1.3 0.876 109.4 52.8 -74.3 -39.1 -50.4 49.7 -7.6 385 170 B L H ><5S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.3 -2,-0.2 0.889 103.6 59.8 -59.2 -40.4 -51.4 48.3 -11.0 386 171 B G T 3<5S+ 0 0 15 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.020 101.4 53.2 -80.6 26.0 -52.7 45.3 -9.1 387 172 B S T < 5S- 0 0 94 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.221 124.8-107.5-127.7 -8.4 -55.1 47.6 -7.2 388 173 B G T < 5 + 0 0 43 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.637 61.6 160.9 92.5 18.4 -56.3 48.8 -10.6 389 174 B A < - 0 0 10 -5,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.259 38.6-111.8 -67.4 158.5 -54.6 52.3 -10.6 390 175 B S > - 0 0 49 1,-0.1 4,-1.2 4,-0.0 5,-0.1 -0.262 26.7-106.2 -78.7 172.0 -54.1 54.2 -13.8 391 176 B N H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.971 123.5 39.6 -59.5 -55.5 -50.8 54.9 -15.4 392 177 B I H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 110.7 58.6 -67.0 -35.8 -50.9 58.6 -14.4 393 178 B E H > S+ 0 0 115 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.842 109.8 46.4 -58.6 -33.0 -52.4 57.7 -11.0 394 179 B I H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.4 3,-0.4 0.919 108.8 51.1 -77.7 -47.3 -49.2 55.6 -10.5 395 180 B A H <>S+ 0 0 1 -4,-2.3 5,-3.3 1,-0.2 -2,-0.2 0.854 112.1 52.4 -53.5 -33.6 -46.8 58.2 -11.7 396 181 B D H <5S+ 0 0 114 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.766 106.8 48.3 -80.9 -27.7 -48.5 60.6 -9.2 397 182 B K H <5S+ 0 0 139 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.797 119.3 40.0 -79.7 -27.8 -48.3 58.4 -6.1 398 183 B L T <5S- 0 0 31 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.337 109.3-123.1 -99.3 5.1 -44.6 57.7 -6.7 399 184 B F T 5 + 0 0 188 1,-0.2 2,-0.3 -4,-0.2 -3,-0.2 0.953 67.1 131.8 48.9 58.9 -43.9 61.4 -7.8 400 185 B V < - 0 0 34 -5,-3.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.898 65.1 -82.2-135.8 160.6 -42.5 60.2 -11.2 401 186 B S >> - 0 0 65 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.361 35.9-128.1 -60.1 141.3 -42.9 61.1 -14.9 402 187 B E H 3> S+ 0 0 81 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.840 111.8 49.7 -62.2 -34.5 -45.9 59.4 -16.6 403 188 B N H 3> S+ 0 0 87 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.580 103.7 62.4 -81.5 -9.6 -43.7 58.0 -19.3 404 189 B T H <> S+ 0 0 50 -3,-0.9 4,-1.5 2,-0.2 3,-0.4 0.926 104.2 44.7 -76.7 -50.3 -41.3 56.7 -16.7 405 190 B V H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 3,-0.3 0.902 109.9 57.3 -58.6 -41.6 -43.8 54.3 -15.1 406 191 B K H X S+ 0 0 87 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.856 107.0 49.8 -56.3 -34.4 -44.8 53.3 -18.7 407 192 B T H X S+ 0 0 81 -4,-0.7 4,-0.9 -3,-0.4 -1,-0.2 0.785 109.2 49.0 -80.6 -29.8 -41.1 52.3 -19.2 408 193 B H H >X S+ 0 0 38 -4,-1.5 4,-2.3 -3,-0.3 3,-0.8 0.928 106.0 57.8 -70.0 -47.8 -40.8 50.2 -16.1 409 194 B L H 3X S+ 0 0 5 -4,-2.5 4,-3.5 1,-0.3 5,-0.2 0.897 103.0 54.2 -48.4 -46.0 -44.0 48.4 -16.9 410 195 B H H 3X S+ 0 0 113 -4,-1.3 4,-0.8 1,-0.2 -1,-0.3 0.859 108.4 48.6 -58.3 -37.1 -42.5 47.3 -20.2 411 196 B N H S+ 0 0 38 -4,-3.5 4,-1.5 1,-0.2 5,-1.2 0.770 104.4 53.6 -51.9 -27.2 -44.1 42.7 -18.7 414 199 B K H <5S+ 0 0 140 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.956 113.6 38.3 -75.5 -50.5 -41.0 40.9 -19.9 415 200 B K H <5S+ 0 0 105 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.945 123.8 41.7 -62.0 -52.6 -40.2 39.2 -16.6 416 201 B I H <5S- 0 0 0 -4,-3.1 -131,-0.3 -5,-0.1 -1,-0.2 0.829 108.7-126.3 -61.0 -37.0 -43.9 38.6 -15.7 417 202 B N T <5 + 0 0 59 -4,-1.5 2,-0.5 -5,-0.5 -3,-0.2 0.710 48.2 162.0 87.8 28.7 -44.6 37.5 -19.3 418 203 B A < - 0 0 10 -5,-1.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.689 33.9-157.6 -84.0 121.3 -47.5 39.9 -19.9 419 204 B K S S- 0 0 124 -2,-0.5 2,-0.2 2,-0.0 -1,-0.2 0.785 79.4 -13.6 -64.0 -25.1 -48.4 40.4 -23.6 420 205 B N S > S- 0 0 73 -7,-0.1 4,-1.7 1,-0.1 5,-0.0 -0.843 83.8 -77.4-157.1-167.6 -50.0 43.6 -22.5 421 206 B R H > S+ 0 0 81 -2,-0.2 4,-3.0 2,-0.2 5,-0.2 0.887 120.7 55.7 -74.9 -41.2 -51.2 45.8 -19.6 422 207 B L H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 110.2 45.5 -55.9 -51.0 -54.5 43.8 -19.1 423 208 B Q H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.952 112.3 55.0 -54.3 -49.5 -52.6 40.6 -18.6 424 209 B A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.919 110.5 41.7 -51.2 -53.0 -50.2 42.4 -16.3 425 210 B L H X S+ 0 0 31 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.820 111.5 54.7 -73.2 -27.6 -52.9 43.7 -14.0 426 211 B I H X S+ 0 0 16 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.3 0.802 110.1 51.4 -69.4 -27.5 -54.8 40.4 -14.0 427 212 B W H >X S+ 0 0 1 -4,-2.0 4,-1.5 -5,-0.2 3,-1.0 0.970 106.4 50.6 -67.4 -57.8 -51.5 39.0 -13.0 428 213 B A H 3X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.3 3,-0.3 0.859 107.0 56.1 -51.3 -39.9 -51.0 41.4 -10.1 429 214 B K H 3< S+ 0 0 106 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.880 117.7 32.9 -60.0 -36.9 -54.4 40.6 -8.8 430 215 B N H << S+ 0 0 32 -3,-1.0 -64,-0.2 -4,-0.9 -1,-0.2 0.488 130.7 32.6-100.9 -4.7 -53.7 36.9 -8.5 431 216 B N H < S+ 0 0 15 -4,-1.5 -63,-2.7 -3,-0.3 -60,-0.2 0.511 109.8 54.1-130.1 -10.1 -50.0 37.1 -7.7 432 217 B I S < S+ 0 0 16 -4,-2.2 -65,-0.1 -5,-0.3 2,-0.1 0.184 72.8 152.4-127.6 19.3 -49.2 40.2 -5.6 433 218 B G 0 0 15 1,-0.3 -65,-0.1 -4,-0.2 -50,-0.0 -0.507 360.0 360.0 -67.8 157.0 -51.5 40.3 -2.5 434 219 B I 0 0 198 -2,-0.1 -1,-0.3 -68,-0.1 -51,-0.0 -0.087 360.0 360.0 -95.9 360.0 -51.3 41.4 0.1 435 !* 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 0.0 436 4 C E 0 0 233 0, 0.0 4,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 26.6 -40.9 13.4 11.2 437 5 C N + 0 0 164 2,-0.1 2,-0.2 -312,-0.1 0, 0.0 0.535 360.0 86.9 -80.6 -8.4 -43.0 14.8 14.1 438 6 C K S S- 0 0 84 1,-0.1 2,-0.3 26,-0.0 26,-0.3 -0.539 91.7-100.1 -92.7 156.0 -43.7 11.1 14.7 439 7 C L E -k 464 0C 41 24,-2.4 26,-3.1 -2,-0.2 2,-1.0 -0.587 34.5-125.7 -73.4 130.9 -41.8 8.6 16.8 440 8 C N E +k 465 0C 43 -2,-0.3 47,-2.8 45,-0.3 48,-1.5 -0.711 38.1 179.7 -79.7 104.6 -39.6 6.4 14.6 441 9 C V E -kl 466 488C 1 24,-1.4 26,-2.2 -2,-1.0 2,-0.6 -0.917 17.0-165.6-114.1 129.3 -40.6 2.9 15.7 442 10 C R E -kl 467 489C 19 46,-3.1 48,-2.1 -2,-0.5 2,-0.5 -0.948 10.1-155.0-112.5 116.1 -39.2 -0.4 14.3 443 11 C M E -kl 468 490C 0 24,-2.5 26,-2.8 -2,-0.6 2,-1.1 -0.793 7.6-145.4 -91.8 125.5 -41.2 -3.5 15.0 444 12 C L E +kl 469 491C 0 46,-3.3 48,-2.0 -2,-0.5 2,-0.3 -0.777 57.3 101.1 -89.9 97.3 -39.3 -6.8 15.0 445 13 C S S S- 0 0 6 -2,-1.1 2,-0.1 24,-0.8 48,-0.0 -0.924 75.9 -82.3-157.0 177.9 -41.7 -9.3 13.6 446 14 C D - 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