==== 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 SIGNALING PROTEIN 23-JUN-09 3HZH . COMPND 2 MOLECULE: CHEMOTAXIS RESPONSE REGULATOR (CHEY-3); . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR Y.PAZY,R.E.SILVERSMITH,M.GUARINARI,R.ZHAO . 288 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 1 1 2 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 13 A S 0 0 169 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.7 10.1 10.3 -31.6 2 14 A K - 0 0 159 1,-0.1 6,-0.0 2,-0.1 4,-0.0 -0.005 360.0-126.9 -32.3 96.7 10.1 7.3 -29.2 3 15 A P > - 0 0 47 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.274 14.5-137.8 -54.8 132.5 13.9 6.9 -28.6 4 16 A R T 3 S+ 0 0 78 1,-0.2 33,-0.2 -3,-0.1 4,-0.1 0.722 93.4 72.1 -66.8 -23.8 14.4 3.2 -29.5 5 17 A G T 3 S+ 0 0 0 31,-3.0 9,-3.2 28,-0.1 2,-0.4 0.534 80.5 92.2 -71.9 -4.5 16.7 2.5 -26.5 6 18 A I E < S-A 13 0A 43 -3,-1.2 2,-1.0 30,-0.3 32,-0.1 -0.775 74.5-135.6 -96.9 133.6 13.8 2.7 -24.1 7 19 A N E >>> -A 12 0A 37 5,-2.2 4,-3.2 -2,-0.4 3,-1.9 -0.769 17.3-156.7 -83.0 106.7 11.9 -0.4 -23.0 8 20 A Y T 345S+ 0 0 102 -2,-1.0 -1,-0.1 1,-0.3 -2,-0.0 0.300 84.4 69.7 -73.5 13.4 8.4 1.0 -23.3 9 21 A D T 345S+ 0 0 126 3,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.487 124.2 7.3-101.5 -8.2 7.0 -1.6 -20.9 10 22 A T T <45S- 0 0 94 -3,-1.9 -2,-0.2 2,-0.2 -4,-0.0 0.451 92.5-120.1-143.9 -21.5 8.8 0.1 -18.0 11 23 A G T <5S+ 0 0 48 -4,-3.2 -3,-0.2 1,-0.3 -5,-0.0 0.504 72.7 130.0 84.4 4.2 10.3 3.3 -19.3 12 24 A I E < -A 7 0A 101 -5,-0.6 -5,-2.2 1,-0.1 -1,-0.3 -0.755 64.2-108.3 -94.2 136.4 13.8 1.9 -18.4 13 25 A P E -A 6 0A 53 0, 0.0 -7,-0.3 0, 0.0 2,-0.2 -0.244 33.5-109.4 -61.9 147.2 16.6 2.0 -20.9 14 26 A F - 0 0 20 -9,-3.2 25,-2.6 23,-0.1 2,-0.5 -0.514 35.2-118.9 -73.4 147.7 17.7 -1.3 -22.5 15 27 A N E -b 39 0B 29 45,-0.3 47,-1.6 23,-0.2 48,-1.6 -0.787 27.9-165.3 -95.3 129.6 21.2 -2.4 -21.3 16 28 A V E -bc 40 63B 0 23,-2.8 26,-1.2 -2,-0.5 25,-1.1 -0.935 10.9-157.8-117.6 136.1 24.0 -2.8 -23.9 17 29 A L E -bc 42 64B 0 46,-2.5 48,-2.2 -2,-0.4 2,-0.5 -0.952 15.4-157.8-110.4 115.0 27.3 -4.6 -23.5 18 30 A I E -bc 43 65B 0 24,-1.8 26,-2.3 -2,-0.6 2,-0.5 -0.832 9.6-174.4 -99.8 126.3 29.9 -3.3 -26.0 19 31 A V E +bc 44 66B 1 46,-2.0 48,-2.3 -2,-0.5 2,-0.3 -0.940 25.9 122.7-125.4 112.0 32.9 -5.5 -26.8 20 32 A D - 0 0 1 24,-1.9 6,-0.1 -2,-0.5 50,-0.1 -0.948 55.6-130.9-162.0 142.7 35.8 -4.4 -29.1 21 33 A D S S+ 0 0 39 48,-0.4 2,-0.6 -2,-0.3 24,-0.1 0.475 88.5 81.6 -78.5 0.7 39.5 -4.1 -28.6 22 34 A S > - 0 0 5 1,-0.1 4,-2.4 205,-0.0 5,-0.2 -0.921 63.3-158.4-110.6 119.1 39.6 -0.5 -29.9 23 35 A V H > S+ 0 0 50 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.759 96.8 61.5 -62.8 -22.8 38.6 2.3 -27.5 24 36 A F H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.959 108.2 40.5 -65.4 -50.4 37.8 4.3 -30.7 25 37 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.861 111.5 56.4 -67.1 -37.1 35.2 1.8 -31.7 26 38 A V H X S+ 0 0 22 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.931 109.8 47.3 -61.1 -41.9 33.9 1.5 -28.2 27 39 A K H X S+ 0 0 50 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.895 110.6 50.7 -66.4 -39.5 33.4 5.3 -28.1 28 40 A Q H X S+ 0 0 49 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.953 113.8 44.1 -63.7 -49.4 31.6 5.3 -31.5 29 41 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.880 110.7 56.3 -61.6 -39.4 29.2 2.6 -30.5 30 42 A T H X S+ 0 0 41 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.940 109.4 45.2 -59.6 -46.9 28.7 4.3 -27.1 31 43 A Q H X S+ 0 0 108 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.929 112.3 52.2 -60.5 -48.3 27.6 7.5 -28.8 32 44 A I H X S+ 0 0 11 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.917 115.9 38.9 -55.7 -48.5 25.4 5.7 -31.2 33 45 A F H ><>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 3,-0.8 0.929 116.4 47.6 -72.0 -46.5 23.5 3.8 -28.5 34 46 A T H ><5S+ 0 0 67 -4,-2.6 3,-1.9 -5,-0.3 -2,-0.2 0.883 106.0 58.8 -64.5 -37.1 23.3 6.5 -25.9 35 47 A S H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.759 108.1 48.9 -63.3 -21.7 22.0 9.1 -28.4 36 48 A E T <<5S- 0 0 28 -3,-0.8 -31,-3.0 -4,-0.5 -30,-0.3 0.324 128.7 -95.9 -99.5 6.1 19.2 6.7 -29.0 37 49 A G T < 5S+ 0 0 21 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.430 78.0 134.8 99.4 -4.0 18.3 6.2 -25.4 38 50 A F < - 0 0 9 -5,-2.3 2,-0.5 -25,-0.2 -1,-0.3 -0.319 49.4-131.6 -75.6 163.4 20.2 3.0 -24.5 39 51 A N E -b 15 0B 74 -25,-2.6 -23,-2.8 -34,-0.2 2,-1.2 -0.967 10.9-138.1-115.2 128.2 22.3 2.5 -21.4 40 52 A I E -b 16 0B 32 -2,-0.5 -23,-0.2 -25,-0.2 3,-0.1 -0.754 20.7-174.5 -86.3 100.2 25.8 1.1 -21.8 41 53 A I E - 0 0 37 -2,-1.2 2,-0.3 -25,-1.1 -1,-0.2 0.844 62.5 -30.1 -66.8 -32.4 25.8 -1.3 -18.9 42 54 A D E -b 17 0B 39 -26,-1.2 -24,-1.8 -3,-0.1 2,-0.3 -0.970 54.5-140.6-172.3 168.4 29.5 -2.2 -19.4 43 55 A T E -b 18 0B 46 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.970 9.5-159.3-140.8 154.1 32.2 -2.5 -22.0 44 56 A A E -b 19 0B 1 -26,-2.3 -24,-1.9 -2,-0.3 3,-0.1 -0.994 14.9-153.6-137.8 142.4 35.1 -5.0 -22.6 45 57 A A S S+ 0 0 46 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.1 0.457 80.5 17.1 -94.5 -3.2 38.3 -4.8 -24.6 46 58 A D S > S- 0 0 16 24,-0.1 4,-2.0 -26,-0.1 28,-0.1 -0.974 84.6 -96.3-158.5 168.0 38.7 -8.5 -25.2 47 59 A G H > S+ 0 0 0 26,-1.9 4,-1.8 24,-0.7 5,-0.1 0.774 117.6 53.3 -61.7 -31.0 36.8 -11.8 -25.2 48 60 A E H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 111.1 45.1 -69.9 -49.9 38.0 -12.9 -21.7 49 61 A E H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 110.8 56.6 -60.3 -34.8 36.8 -9.6 -20.1 50 62 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.932 105.9 48.5 -62.8 -48.3 33.6 -9.9 -22.0 51 63 A V H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.930 112.8 48.5 -58.0 -47.6 32.7 -13.3 -20.6 52 64 A I H X S+ 0 0 110 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.938 115.6 43.3 -58.2 -50.2 33.4 -12.1 -17.1 53 65 A K H X S+ 0 0 45 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.816 110.2 55.6 -68.1 -32.6 31.3 -9.0 -17.4 54 66 A Y H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.946 111.6 43.7 -66.4 -45.3 28.5 -10.8 -19.2 55 67 A K H < S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 109.9 58.1 -65.4 -36.1 28.2 -13.2 -16.3 56 68 A N H < S+ 0 0 124 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.871 123.1 22.6 -61.4 -39.8 28.5 -10.4 -13.8 57 69 A H H >< S+ 0 0 44 -4,-1.8 3,-2.7 -3,-0.1 4,-0.2 0.608 87.8 140.0-101.3 -17.7 25.5 -8.6 -15.2 58 70 A Y G >< + 0 0 104 -4,-2.7 3,-0.6 1,-0.3 -1,-0.1 0.315 66.6 42.9 3.5 -64.2 23.8 -11.5 -16.9 59 71 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.909 116.8 51.1 -68.4 -28.7 20.1 -11.1 -16.3 60 72 A N G < S+ 0 0 91 -3,-2.7 2,-0.6 -46,-0.0 -45,-0.3 0.511 80.4 100.3 -84.4 -8.4 20.3 -7.4 -17.0 61 73 A I < + 0 0 12 -3,-0.6 29,-0.2 -4,-0.2 -45,-0.1 -0.715 41.5 178.5 -84.1 119.3 22.1 -7.4 -20.4 62 74 A D + 0 0 38 -47,-1.6 2,-0.3 -2,-0.6 -46,-0.2 0.752 66.7 8.4 -89.9 -28.3 19.6 -6.9 -23.2 63 75 A I E -c 16 0B 0 -48,-1.6 -46,-2.5 26,-0.1 2,-0.4 -0.989 57.7-156.8-156.5 145.4 22.0 -6.8 -26.1 64 76 A V E -cd 17 91B 0 26,-2.5 28,-3.1 -2,-0.3 2,-0.5 -0.986 5.5-158.1-124.2 130.7 25.7 -7.5 -26.8 65 77 A T E -cd 18 92B 1 -48,-2.2 -46,-2.0 -2,-0.4 2,-0.5 -0.936 22.0-163.5-106.3 131.0 27.7 -6.0 -29.7 66 78 A L E -cd 19 93B 0 26,-3.0 28,-2.3 -2,-0.5 -46,-0.2 -0.945 15.3-155.6-131.4 121.7 30.7 -8.2 -30.4 67 79 A X - 0 0 1 -48,-2.3 28,-0.2 -2,-0.5 3,-0.1 -0.351 10.2-151.5 -78.3 164.6 33.9 -7.6 -32.3 68 80 A I S S+ 0 0 7 26,-0.2 7,-2.6 1,-0.2 2,-0.7 0.852 73.1 65.6-104.7 -59.6 35.9 -10.5 -33.7 69 81 A T S S+ 0 0 12 5,-0.2 -48,-0.4 6,-0.1 -1,-0.2 -0.550 70.7 137.7 -72.7 110.6 39.6 -9.8 -34.0 70 82 A M - 0 0 10 -2,-0.7 -24,-0.1 181,-0.1 -25,-0.0 -0.996 52.6-104.5-154.5 151.0 40.8 -9.3 -30.4 71 83 A P S S+ 0 0 54 0, 0.0 2,-4.3 0, 0.0 -24,-0.7 -0.202 99.0 9.9 -68.1 167.9 43.7 -10.2 -28.1 72 84 A K S S+ 0 0 154 -26,-0.1 2,-0.3 -25,-0.1 -26,-0.1 -0.137 138.7 20.6 57.6 -51.1 43.4 -12.9 -25.5 73 85 A M S S- 0 0 33 -2,-4.3 -26,-1.9 -5,-0.0 -25,-0.1 -0.920 75.0-143.3-151.1 121.1 40.0 -14.0 -26.8 74 86 A D > - 0 0 51 -2,-0.3 4,-2.1 -28,-0.1 -5,-0.2 -0.376 30.7-108.0 -79.5 162.6 38.5 -13.5 -30.3 75 87 A G H > S+ 0 0 0 -7,-2.6 4,-2.3 1,-0.2 -7,-0.1 0.694 113.9 57.4 -64.8 -24.0 34.8 -12.8 -30.8 76 88 A I H > S+ 0 0 39 -8,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.944 112.0 41.5 -72.6 -45.4 34.0 -16.2 -32.3 77 89 A T H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.888 115.7 52.0 -65.3 -39.4 35.3 -18.0 -29.3 78 90 A C H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.915 105.9 54.5 -62.4 -45.1 33.6 -15.4 -27.1 79 91 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.911 108.9 46.9 -54.2 -51.4 30.3 -15.9 -28.8 80 92 A S H X S+ 0 0 51 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.868 112.4 51.4 -61.1 -37.3 30.2 -19.6 -28.2 81 93 A N H X S+ 0 0 48 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.920 112.5 44.1 -67.9 -45.7 31.2 -19.0 -24.5 82 94 A I H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.926 114.9 48.8 -66.3 -43.1 28.4 -16.5 -23.9 83 95 A M H < S+ 0 0 28 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.848 110.0 52.9 -65.8 -32.1 25.9 -18.7 -25.7 84 96 A E H < S+ 0 0 143 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.930 114.0 42.4 -67.0 -44.3 27.0 -21.7 -23.7 85 97 A F H < S+ 0 0 73 -4,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.894 132.3 18.7 -66.9 -44.0 26.5 -19.7 -20.5 86 98 A D >< - 0 0 16 -4,-3.0 3,-1.8 -5,-0.2 -1,-0.3 -0.870 58.8-168.5-138.0 103.5 23.2 -18.2 -21.6 87 99 A K T 3 S+ 0 0 179 -2,-0.4 -1,-0.1 -3,-0.3 -4,-0.1 0.658 91.0 56.2 -62.2 -17.1 21.1 -19.7 -24.4 88 100 A N T 3 S+ 0 0 131 2,-0.1 -1,-0.3 -5,-0.0 -5,-0.1 0.414 77.1 128.2 -97.1 0.9 18.9 -16.6 -24.5 89 101 A A < - 0 0 2 -3,-1.8 2,-0.6 -7,-0.2 -27,-0.1 -0.213 52.0-142.4 -57.1 145.7 21.8 -14.0 -25.0 90 102 A R + 0 0 83 -29,-0.2 -26,-2.5 21,-0.1 2,-0.4 -0.929 26.6 175.0-116.0 107.6 21.3 -11.6 -27.9 91 103 A V E -d 64 0B 0 -2,-0.6 21,-2.7 19,-0.4 22,-0.8 -0.927 17.2-165.4-119.1 136.9 24.6 -10.9 -29.6 92 104 A I E -de 65 113B 0 -28,-3.1 -26,-3.0 -2,-0.4 2,-0.4 -0.982 20.3-136.2-117.0 126.6 25.2 -8.9 -32.7 93 105 A M E -de 66 114B 0 20,-2.3 22,-2.8 -2,-0.5 2,-0.4 -0.689 20.9-177.1 -84.3 136.5 28.6 -9.3 -34.4 94 106 A I E + e 0 115B 2 -28,-2.3 2,-0.3 -2,-0.4 -26,-0.2 -0.895 25.6 143.4-134.4 101.3 30.2 -6.1 -35.5 95 107 A S E - e 0 116B 0 20,-2.1 22,-1.9 -2,-0.4 -28,-0.1 -0.948 62.2-125.9-144.2 162.2 33.5 -6.7 -37.3 96 108 A A S S+ 0 0 0 -2,-0.3 2,-0.5 20,-0.2 142,-0.2 0.631 94.5 84.9 -75.7 -16.6 35.9 -5.7 -40.1 97 109 A L + 0 0 26 1,-0.1 -2,-0.2 140,-0.1 138,-0.1 -0.776 47.7 160.4 -91.4 127.2 35.7 -9.4 -41.2 98 110 A G + 0 0 15 -2,-0.5 -1,-0.1 136,-0.4 5,-0.1 0.272 7.2 151.7-133.6 17.4 32.7 -10.2 -43.5 99 111 A K > - 0 0 56 1,-0.2 4,-1.6 2,-0.1 3,-0.4 -0.246 51.5-126.2 -49.7 133.7 33.3 -13.4 -45.4 100 112 A E H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.784 106.6 51.9 -58.8 -31.0 29.8 -14.6 -46.0 101 113 A Q H > S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.849 104.6 56.8 -75.1 -33.2 30.4 -18.1 -44.5 102 114 A L H > S+ 0 0 36 -3,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.910 106.0 52.4 -60.9 -40.5 31.9 -16.5 -41.4 103 115 A V H X S+ 0 0 34 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.924 110.4 46.0 -59.7 -47.6 28.5 -14.7 -41.1 104 116 A K H X S+ 0 0 94 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.885 110.5 54.3 -64.5 -38.5 26.6 -18.0 -41.4 105 117 A D H X S+ 0 0 57 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.849 108.4 48.5 -65.3 -35.2 28.9 -19.7 -38.9 106 118 A C H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 4,-0.4 0.896 112.0 48.9 -71.0 -39.7 28.3 -17.0 -36.3 107 119 A L H ><5S+ 0 0 74 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.907 110.6 51.4 -65.2 -40.0 24.6 -17.2 -36.8 108 120 A I H 3<5S+ 0 0 133 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.912 108.1 52.2 -62.3 -40.7 24.8 -21.0 -36.4 109 121 A K T 3<5S- 0 0 83 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.532 134.6 -86.7 -73.6 -6.3 26.7 -20.5 -33.2 110 122 A G T < 5S+ 0 0 20 -3,-1.1 -19,-0.4 -4,-0.4 -3,-0.2 0.347 76.9 140.8 123.8 -11.5 24.0 -18.2 -31.9 111 123 A A < - 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