==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-05 2D05 . COMPND 2 MOLECULE: CHITOSANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR T.FUKAMIZO,S.AMANO,K.YAMAGUCHI,T.YOSHIKAWA,T.KATSUMI, . 259 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 69.1 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 . 13 5.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 10 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.1 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 1 1 1 1 2 0 0 3 1 1 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A A > 0 0 96 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -58.2 -10.4 43.1 31.1 2 2 A S T >4 - 0 0 75 1,-0.2 3,-0.5 2,-0.2 4,-0.1 0.245 360.0 -36.4 44.1-155.1 -9.3 41.4 34.4 3 3 A P G >4 S+ 0 0 34 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.743 128.7 80.2 -70.8 -18.5 -5.7 40.8 35.3 4 4 A D G >4 S+ 0 0 77 1,-0.3 3,-1.8 2,-0.2 -2,-0.2 0.868 82.6 60.4 -52.6 -38.3 -5.3 40.0 31.6 5 5 A D G << S+ 0 0 97 -4,-2.1 -1,-0.3 -3,-0.5 -3,-0.1 0.594 89.9 71.9 -65.9 -13.2 -5.0 43.7 30.8 6 6 A N G < S+ 0 0 37 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.519 110.3 26.9 -78.7 -8.3 -1.9 43.9 33.0 7 7 A F S < S- 0 0 5 -3,-1.8 130,-0.1 -4,-0.2 131,-0.1 0.019 96.5-100.0-120.0-133.7 0.0 42.1 30.4 8 8 A S > - 0 0 9 1,-0.1 4,-2.4 129,-0.1 5,-0.2 -0.940 30.7-104.0-153.8 158.0 -0.5 41.9 26.6 9 9 A P H > S+ 0 0 92 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.939 121.7 42.1 -53.4 -49.2 -2.2 39.3 24.4 10 10 A E H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.871 111.8 56.0 -67.5 -37.4 1.0 37.9 23.0 11 11 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.910 106.0 50.8 -62.5 -43.1 2.7 38.0 26.4 12 12 A L H X S+ 0 0 29 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.896 108.8 51.2 -61.4 -39.0 -0.1 35.9 28.0 13 13 A Q H X S+ 0 0 134 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.915 111.8 49.0 -63.2 -41.4 0.4 33.3 25.2 14 14 A F H X S+ 0 0 42 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 113.2 44.2 -62.6 -50.9 4.1 33.3 25.9 15 15 A L H X>S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 5,-0.8 0.927 114.6 50.5 -62.0 -43.6 3.7 32.9 29.7 16 16 A R H X5S+ 0 0 130 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.946 112.7 44.7 -61.3 -46.9 1.1 30.2 29.3 17 17 A N H <5S+ 0 0 111 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.864 123.9 34.3 -68.6 -32.9 3.1 28.1 26.8 18 18 A N H <5S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.603 133.0 21.8 -99.6 -15.9 6.3 28.3 28.8 19 19 A T H <5S- 0 0 5 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.558 88.9-130.8-123.1 -20.7 5.2 28.3 32.4 20 20 A G << + 0 0 48 -4,-1.4 2,-0.3 -5,-0.8 -4,-0.2 0.508 68.5 118.3 80.1 7.2 1.8 26.8 32.3 21 21 A L - 0 0 6 -6,-0.6 -1,-0.3 1,-0.1 -2,-0.2 -0.826 54.5-135.2-107.7 148.2 0.3 29.6 34.4 22 22 A D > - 0 0 52 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.166 33.9 -87.7 -93.9-175.3 -2.5 32.0 33.4 23 23 A G H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 124.9 50.0 -59.9 -43.9 -2.9 35.8 33.7 24 24 A E H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 112.0 48.7 -61.3 -44.6 -4.6 35.6 37.1 25 25 A Q H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.928 113.8 45.1 -62.6 -46.0 -1.8 33.4 38.5 26 26 A W H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.840 110.7 54.7 -68.2 -31.6 1.0 35.6 37.2 27 27 A N H X S+ 0 0 8 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.901 109.8 46.5 -65.9 -42.4 -0.8 38.7 38.4 28 28 A N H X S+ 0 0 2 -4,-2.0 4,-2.2 215,-0.2 -2,-0.2 0.899 111.0 52.7 -66.8 -39.8 -1.0 37.2 41.9 29 29 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.931 109.4 49.3 -60.5 -43.8 2.7 36.3 41.8 30 30 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.793 107.7 54.1 -68.2 -31.1 3.6 39.8 40.8 31 31 A K H X S+ 0 0 49 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.956 110.5 46.6 -65.3 -48.5 1.6 41.3 43.6 32 32 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 117.5 43.4 -61.2 -35.7 3.5 39.0 46.1 33 33 A I H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.907 111.3 52.4 -78.0 -40.1 6.9 40.0 44.5 34 34 A N H X>S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 6,-1.1 0.747 96.5 69.5 -70.3 -23.4 6.2 43.7 44.2 35 35 A K H X5S+ 0 0 21 -4,-1.5 4,-1.6 4,-0.2 -1,-0.2 0.981 109.6 31.6 -59.9 -56.1 5.2 44.1 47.9 36 36 A P H 45S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.756 123.5 50.1 -75.9 -17.7 8.8 43.5 49.2 37 37 A E H <5S- 0 0 68 -4,-1.3 -2,-0.2 3,-0.1 -3,-0.2 0.884 136.7 -1.4 -84.8 -38.5 10.4 45.1 46.1 38 38 A Q H <5S- 0 0 62 -4,-2.8 -3,-0.2 2,-0.2 -4,-0.1 0.340 86.8-122.2-132.8 -1.9 8.5 48.3 45.9 39 39 A D S < + 0 0 75 1,-0.2 3,-1.3 -8,-0.1 4,-0.3 -0.480 55.7 165.9 -85.6 70.1 0.0 48.1 41.8 43 43 A W G > + 0 0 3 -2,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.687 56.8 75.3 -61.6 -26.1 2.9 46.4 39.9 44 44 A I G > S+ 0 0 22 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.780 84.5 67.2 -62.5 -23.3 1.9 47.6 36.4 45 45 A K G X S+ 0 0 79 -3,-1.3 3,-1.1 1,-0.3 -1,-0.3 0.832 91.5 65.2 -64.9 -24.9 3.1 51.0 37.2 46 46 A Y G X S+ 0 0 39 -3,-1.7 3,-1.1 -4,-0.3 -1,-0.3 0.455 72.4 86.4 -80.1 -1.0 6.6 49.5 37.3 47 47 A Y G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.881 103.1 36.1 -61.6 -34.3 6.7 48.6 33.7 48 48 A G G < S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.153 86.4 138.3-103.8 16.9 8.0 52.2 33.3 49 49 A Y < + 0 0 34 -3,-1.1 13,-2.5 78,-0.1 2,-0.3 -0.448 22.4 164.7 -63.2 133.0 10.0 52.3 36.5 50 50 A a E +A 61 0A 19 11,-0.2 2,-0.3 -2,-0.2 11,-0.2 -0.909 3.9 144.8-156.7 122.8 13.4 54.1 35.9 51 51 A E E -A 60 0A 83 9,-2.1 9,-3.2 -2,-0.3 2,-0.9 -0.971 45.6-130.1-164.4 142.6 15.8 55.4 38.4 52 52 A D - 0 0 57 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.866 22.0-172.3 -95.0 105.0 19.4 55.9 39.2 53 53 A I - 0 0 70 -2,-0.9 -1,-0.1 5,-0.4 6,-0.1 0.328 47.5-110.3 -80.8 10.0 19.8 54.5 42.7 54 54 A E S S+ 0 0 177 4,-0.3 5,-0.1 1,-0.1 -2,-0.1 0.899 78.2 139.1 57.3 41.0 23.4 55.8 42.9 55 55 A D S S- 0 0 43 3,-0.4 -1,-0.1 18,-0.0 15,-0.1 0.530 71.5-120.8 -85.6 -20.8 24.3 52.1 42.7 56 56 A E S S+ 0 0 103 2,-0.2 16,-2.5 15,-0.1 17,-0.5 0.758 95.8 101.1 72.9 26.1 27.2 52.6 40.4 57 57 A R S S- 0 0 95 1,-0.5 12,-2.2 15,-0.2 11,-0.3 0.215 87.7-121.9-120.8 8.6 25.1 50.2 38.2 58 58 A G - 0 0 18 10,-0.2 -1,-0.5 9,-0.2 -5,-0.4 -0.616 67.4 -12.1 83.7-144.1 23.6 52.9 35.9 59 59 A Y - 0 0 30 -2,-0.3 9,-1.4 -7,-0.2 2,-0.5 -0.749 60.6-138.3 -95.6 138.5 19.8 53.1 35.8 60 60 A T E -AB 51 67A 16 -9,-3.2 -9,-2.1 -2,-0.4 2,-0.4 -0.841 31.0-172.5 -92.5 131.7 17.6 50.5 37.3 61 61 A I E > -AB 50 66A 1 5,-3.2 5,-1.0 -2,-0.5 3,-0.4 -0.977 28.1 -18.1-132.7 140.6 14.7 49.8 34.9 62 62 A G T 5S- 0 0 3 -13,-2.5 3,-0.4 -2,-0.4 -15,-0.2 -0.238 93.7 -32.8 79.9-161.3 11.4 47.8 35.0 63 63 A L T 5S+ 0 0 9 1,-0.2 -1,-0.2 -16,-0.1 -16,-0.1 0.696 125.7 37.1 -77.8 -27.6 9.9 45.0 37.0 64 64 A F T 5S- 0 0 5 -3,-0.4 -1,-0.2 76,-0.1 -2,-0.1 0.104 111.4 -94.8-121.0 23.2 12.9 42.8 37.9 65 65 A G T 5 + 0 0 44 -3,-0.4 -3,-0.1 1,-0.2 12,-0.1 0.751 57.2 169.9 75.6 28.1 15.8 45.2 38.6 66 66 A A E < -B 61 0A 2 -5,-1.0 -5,-3.2 11,-0.1 2,-0.3 -0.440 16.9-156.7 -69.5 145.0 17.6 45.2 35.3 67 67 A T E -B 60 0A 5 -7,-0.2 11,-2.0 -2,-0.1 -7,-0.2 -0.829 24.8-134.5-121.7 161.4 20.3 47.9 35.1 68 68 A T - 0 0 2 -9,-1.4 46,-2.8 -11,-0.3 -10,-0.2 0.600 62.8-111.3 -88.4 -13.8 21.9 49.7 32.1 69 69 A G + 0 0 7 -12,-2.2 2,-0.3 -10,-0.3 5,-0.2 0.060 46.0 165.5 103.2 153.4 25.4 49.2 33.7 70 70 A G B > -C 73 0B 24 3,-1.8 3,-1.7 -13,-0.2 -13,-0.1 -0.921 61.0 -48.3-174.8-164.9 28.3 50.9 35.3 71 71 A S T 3 S+ 0 0 80 1,-0.3 3,-0.2 -2,-0.3 -14,-0.2 0.868 133.5 43.5 -55.0 -42.5 31.4 50.2 37.4 72 72 A R T 3 S+ 0 0 173 -16,-2.5 -1,-0.3 1,-0.2 2,-0.2 0.400 120.1 41.9 -87.0 3.7 29.6 47.9 39.9 73 73 A D B < +C 70 0B 38 -3,-1.7 -3,-1.8 -17,-0.5 -1,-0.2 -0.686 56.5 159.9-152.2 91.5 27.6 46.1 37.2 74 74 A T S S+ 0 0 71 -3,-0.2 38,-0.1 -2,-0.2 -1,-0.1 0.448 76.1 51.9 -93.4 -4.6 29.6 45.2 34.1 75 75 A H S S+ 0 0 154 -5,-0.1 -1,-0.2 38,-0.0 38,-0.1 -0.384 80.3 172.4-124.8 53.7 27.2 42.4 33.0 76 76 A P - 0 0 10 0, 0.0 4,-0.3 0, 0.0 -8,-0.1 -0.177 35.3-144.6 -65.6 155.2 23.9 44.3 33.1 77 77 A D S > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.1 -9,-0.1 0.456 83.2 90.2 -95.8 -6.4 20.7 42.8 31.7 78 78 A G H > S+ 0 0 1 -11,-2.0 4,-2.1 1,-0.2 3,-0.4 0.906 82.1 54.0 -56.0 -50.2 19.5 46.2 30.5 79 79 A P H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.914 107.9 52.2 -53.9 -38.5 21.0 45.8 27.1 80 80 A D H > S+ 0 0 87 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.836 107.0 52.6 -66.3 -34.0 19.2 42.5 26.7 81 81 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 -3,-0.4 -1,-0.2 0.940 111.2 45.3 -65.9 -49.8 15.9 44.2 27.6 82 82 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.889 111.1 53.5 -63.2 -38.1 16.3 46.9 24.9 83 83 A K H X S+ 0 0 105 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.929 107.8 50.5 -62.0 -43.7 17.4 44.4 22.3 84 84 A A H X S+ 0 0 13 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.850 108.5 53.3 -63.4 -33.4 14.2 42.3 23.0 85 85 A Y H X S+ 0 0 10 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.901 107.7 49.6 -67.3 -40.9 12.1 45.6 22.6 86 86 A D H <>S+ 0 0 8 -4,-2.1 5,-2.2 1,-0.2 -2,-0.2 0.895 112.4 49.0 -64.9 -38.2 13.7 46.2 19.2 87 87 A A H ><5S+ 0 0 45 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.892 108.8 52.3 -68.6 -38.9 12.9 42.6 18.2 88 88 A A H 3<5S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.787 104.2 57.5 -67.5 -28.2 9.3 43.0 19.4 89 89 A K T 3<5S- 0 0 98 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.433 128.8 -97.6 -80.9 -0.9 9.0 46.1 17.3 90 90 A G T < 5 + 0 0 60 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.536 63.4 161.4 101.6 7.8 9.9 44.0 14.2 91 91 A A < - 0 0 29 -5,-2.2 -1,-0.2 1,-0.1 -2,-0.0 -0.343 32.9-151.0 -65.0 139.5 13.6 44.5 13.7 92 92 A S S S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 -5,-0.1 0.747 99.4 30.3 -80.9 -24.9 15.4 41.9 11.5 93 93 A N S S- 0 0 133 -7,-0.1 -1,-0.3 2,-0.1 5,-0.1 -0.650 91.7-161.2-132.2 73.1 18.7 42.5 13.3 94 94 A P + 0 0 32 0, 0.0 2,-0.3 0, 0.0 -11,-0.1 -0.261 19.2 160.8 -60.1 138.6 17.5 43.5 16.8 95 95 A S > - 0 0 42 -13,-0.2 4,-1.7 -12,-0.2 -9,-0.1 -0.983 52.4-114.5-153.5 160.4 20.0 45.4 19.0 96 96 A A H > S+ 0 0 5 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.910 118.7 54.2 -61.8 -41.4 20.1 47.6 22.1 97 97 A D H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 105.9 52.1 -60.7 -41.3 21.4 50.4 19.8 98 98 A G H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 108.6 51.0 -61.8 -39.6 18.4 50.0 17.5 99 99 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.931 108.2 50.2 -64.5 -46.5 16.0 50.3 20.4 100 100 A L H X>S+ 0 0 1 -4,-2.3 5,-3.0 1,-0.2 4,-0.8 0.871 109.9 52.3 -62.8 -34.8 17.6 53.5 21.8 101 101 A K H <5S+ 0 0 159 -4,-1.9 3,-0.5 2,-0.2 -1,-0.2 0.896 107.1 51.4 -67.3 -40.7 17.3 55.0 18.3 102 102 A R H <5S+ 0 0 115 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.7 46.0 -59.6 -39.6 13.6 54.1 18.0 103 103 A L H <5S- 0 0 27 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.579 111.7-121.3 -81.4 -10.7 13.1 55.8 21.3 104 104 A G T <5 + 0 0 49 -4,-0.8 2,-0.4 -3,-0.5 -3,-0.2 0.843 58.5 153.9 72.0 29.8 15.1 58.9 20.4 105 105 A I < - 0 0 10 -5,-3.0 2,-1.2 -6,-0.2 -1,-0.3 -0.809 46.1-132.3 -94.3 132.0 17.5 58.2 23.3 106 106 A N + 0 0 86 -2,-0.4 11,-2.8 -3,-0.1 12,-1.1 -0.736 68.7 86.9 -86.1 95.7 21.0 59.6 23.0 107 107 A G E -D 116 0C 14 -2,-1.2 2,-0.3 9,-0.3 9,-0.2 -0.974 46.9-168.5-171.6 177.0 23.1 56.6 24.0 108 108 A K E -D 115 0C 116 7,-2.1 7,-3.1 -2,-0.3 2,-0.3 -0.973 35.9 -78.4-173.1 163.7 24.7 53.4 22.8 109 109 A M E -D 114 0C 69 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.574 34.5-177.5 -74.4 129.3 26.4 50.2 23.8 110 110 A K E > S-D 113 0C 114 3,-2.6 3,-1.5 -2,-0.3 2,-0.4 -0.949 70.5 -44.9-128.6 99.7 30.0 50.5 24.8 111 111 A G T 3 S- 0 0 73 -2,-0.5 -2,-0.0 1,-0.2 -37,-0.0 -0.589 121.2 -28.2 77.0-123.3 31.3 47.0 25.5 112 112 A S T 3 S+ 0 0 65 -2,-0.4 2,-0.3 -38,-0.1 -1,-0.2 0.210 125.2 82.1-110.3 13.5 28.6 45.2 27.6 113 113 A I E < S-D 110 0C 25 -3,-1.5 -3,-2.6 -38,-0.1 2,-0.6 -0.771 77.2-123.0-116.0 153.8 27.3 48.4 29.2 114 114 A L E -D 109 0C 6 -46,-2.8 2,-0.7 -2,-0.3 -5,-0.2 -0.918 19.5-155.5 -99.1 124.7 24.8 51.1 27.9 115 115 A E E -D 108 0C 63 -7,-3.1 -7,-2.1 -2,-0.6 2,-0.5 -0.913 12.2-167.6-101.5 110.5 26.3 54.6 27.9 116 116 A I E -D 107 0C 29 -2,-0.7 -9,-0.3 -9,-0.2 -2,-0.0 -0.910 15.5-177.0-102.9 127.5 23.5 57.1 28.1 117 117 A K + 0 0 132 -11,-2.8 -10,-0.2 -2,-0.5 -1,-0.1 0.663 58.3 93.0 -93.3 -23.7 24.3 60.7 27.4 118 118 A D S S- 0 0 35 -12,-1.1 -2,-0.1 1,-0.1 -13,-0.0 -0.385 85.9-102.1 -67.5 153.8 20.8 62.1 28.2 119 119 A S > - 0 0 64 1,-0.1 4,-3.1 -2,-0.1 5,-0.2 -0.234 32.6-106.2 -68.8 165.7 20.0 63.3 31.7 120 120 A E H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.901 120.8 55.4 -60.7 -40.5 18.0 61.1 34.1 121 121 A K H > S+ 0 0 180 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.911 114.5 37.7 -58.0 -48.6 14.9 63.3 33.6 122 122 A V H > S+ 0 0 64 2,-0.2 4,-1.6 3,-0.2 -2,-0.2 0.961 120.9 45.2 -69.7 -53.0 15.0 62.9 29.8 123 123 A F H >X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 3,-0.5 0.951 118.8 39.9 -57.2 -58.5 16.0 59.2 29.8 124 124 A a H 3X S+ 0 0 16 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.738 108.4 64.6 -64.4 -24.5 13.6 58.0 32.5 125 125 A G H 3X S+ 0 0 22 -4,-1.0 4,-1.1 -5,-0.4 -1,-0.2 0.863 104.3 46.2 -65.8 -36.4 10.9 60.3 31.0 126 126 A K H << S+ 0 0 76 -4,-1.6 4,-0.2 -3,-0.5 -2,-0.2 0.893 111.7 50.9 -73.8 -36.2 10.9 58.2 27.9 127 127 A I H >< S+ 0 0 0 -4,-1.5 3,-2.0 1,-0.2 4,-0.2 0.908 104.0 57.9 -67.1 -41.5 10.9 54.9 29.8 128 128 A K H >< S+ 0 0 87 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.871 99.9 59.6 -55.1 -37.9 7.9 56.0 31.9 129 129 A K T 3< S+ 0 0 153 -4,-1.1 3,-0.4 1,-0.3 -1,-0.3 0.546 93.4 67.1 -69.1 -9.6 5.9 56.5 28.7 130 130 A L T X + 0 0 10 -3,-2.0 3,-2.3 -4,-0.2 -1,-0.3 0.453 66.1 104.5 -90.8 -1.3 6.4 52.8 27.8 131 131 A Q T < S+ 0 0 25 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.797 91.4 31.5 -50.1 -37.4 4.3 51.6 30.6 132 132 A N T 3 S+ 0 0 118 -3,-0.4 2,-0.7 -85,-0.0 -1,-0.3 0.017 87.5 119.2-110.9 22.8 1.4 50.8 28.2 133 133 A D <> - 0 0 36 -3,-2.3 4,-2.4 1,-0.1 5,-0.2 -0.856 54.8-152.3 -89.8 116.5 3.4 49.9 25.2 134 134 A A H > S+ 0 0 50 -2,-0.7 4,-2.0 1,-0.2 -1,-0.1 0.821 94.4 51.3 -58.8 -36.0 2.5 46.3 24.4 135 135 A A H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 109.9 49.6 -72.0 -37.0 5.9 45.6 22.7 136 136 A W H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.938 111.4 48.9 -66.3 -46.2 7.8 47.0 25.8 137 137 A R H X S+ 0 0 17 -4,-2.4 4,-2.1 -7,-0.2 -2,-0.2 0.896 112.8 48.3 -58.9 -40.6 5.6 44.8 28.1 138 138 A K H X S+ 0 0 55 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.941 112.7 47.4 -64.6 -44.9 6.4 41.8 25.9 139 139 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.895 110.4 54.3 -61.2 -39.8 10.1 42.6 25.9 140 140 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.930 113.4 40.2 -61.5 -46.9 10.0 43.0 29.7 141 141 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.834 112.4 54.3 -73.3 -34.4 8.5 39.6 30.3 142 142 A E H X S+ 0 0 62 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.943 114.1 43.1 -65.0 -40.6 10.6 37.8 27.7 143 143 A T H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.922 111.0 53.5 -71.1 -43.9 13.7 39.2 29.4 144 144 A F H X>S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-1.9 0.908 111.4 49.4 -54.6 -43.7 12.3 38.4 32.9 145 145 A Y H <>S+ 0 0 31 -4,-2.3 5,-2.9 3,-0.2 6,-0.4 0.939 112.0 45.1 -63.2 -50.1 11.9 34.9 31.6 146 146 A N H <5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 120.2 41.6 -63.7 -37.4 15.4 34.5 30.2 147 147 A V H <5S- 0 0 33 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.939 139.6 -13.6 -77.5 -46.5 17.0 36.0 33.3 148 148 A Y T X5S+ 0 0 42 -4,-2.8 4,-1.7 -5,-0.3 -3,-0.2 0.736 120.7 60.5-127.4 -41.2 15.0 34.4 36.1 149 149 A I H > S+ 0 0 33 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.935 112.8 49.9 -65.8 -44.5 15.5 28.6 35.4 152 152 A S H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.905 111.7 47.7 -59.0 -49.5 12.8 28.6 38.2 153 153 A V H X S+ 0 0 4 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.914 110.7 52.0 -61.0 -40.3 10.3 26.8 36.1 154 154 A E H X S+ 0 0 91 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.906 108.5 50.7 -64.2 -39.2 13.0 24.2 35.1 155 155 A Q H X S+ 0 0 23 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.898 112.7 46.8 -66.2 -35.8 13.9 23.5 38.7 156 156 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.7 -5,-0.2 3,-0.9 0.958 114.2 47.1 -69.2 -48.3 10.2 23.0 39.6 157 157 A R H ><5S+ 0 0 130 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.876 103.6 61.4 -60.8 -39.1 9.6 20.7 36.6 158 158 A Q H 3<5S+ 0 0 140 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.809 110.8 41.2 -57.6 -31.2 12.7 18.7 37.3 159 159 A R T <<5S- 0 0 73 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.362 120.1-108.1 -98.5 1.3 11.1 17.7 40.7 160 160 A G T < 5S+ 0 0 59 -3,-1.5 2,-0.4 -4,-0.4 -3,-0.2 0.761 76.8 133.0 77.4 26.8 7.6 17.3 39.3 161 161 A F < + 0 0 5 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.2 -0.910 17.2 157.0-110.3 132.8 6.3 20.5 40.9 162 162 A T + 0 0 93 -2,-0.4 -1,-0.1 -3,-0.1 -5,-0.1 0.259 26.4 131.1-139.7 12.8 4.2 22.8 38.7 163 163 A S > - 0 0 16 1,-0.1 4,-2.3 -7,-0.1 5,-0.2 -0.301 63.3-121.6 -71.8 157.5 2.1 24.8 41.1 164 164 A A H > S+ 0 0 0 77,-0.6 4,-2.4 1,-0.2 5,-0.2 0.850 112.1 51.9 -65.4 -35.8 1.8 28.6 40.9 165 165 A V H > S+ 0 0 0 76,-1.9 4,-2.6 2,-0.2 5,-0.2 0.928 109.6 49.0 -69.4 -40.4 3.1 29.0 44.5 166 166 A T H > S+ 0 0 0 75,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.958 115.3 43.4 -63.9 -49.4 6.2 26.9 43.9 167 167 A I H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.931 115.6 48.3 -62.3 -44.8 7.1 28.7 40.7 168 168 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.906 112.1 48.7 -64.2 -41.2 6.4 32.1 42.2 169 169 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.900 111.9 48.9 -64.7 -42.7 8.4 31.4 45.3 170 170 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.919 112.0 49.9 -62.5 -42.7 11.3 30.1 43.3 171 171 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.904 108.7 51.0 -62.6 -44.4 11.2 33.3 41.1 172 172 A D H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.882 112.1 48.6 -60.6 -37.0 11.1 35.6 44.1 173 173 A T H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.5 0.935 113.6 45.5 -68.9 -45.3 14.2 33.8 45.5 174 174 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 3,-0.2 -2,-0.2 0.907 115.0 47.0 -63.9 -47.5 16.1 34.0 42.1 175 175 A L H < S+ 0 0 18 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.910 121.7 36.3 -61.3 -43.7 15.2 37.6 41.6 176 176 A N H < S+ 0 0 23 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.867 135.6 17.2 -80.0 -40.6 16.2 38.6 45.2 177 177 A Q H < S- 0 0 10 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.461 113.5 -94.6-114.6 -5.3 19.2 36.4 45.8 178 178 A G < - 0 0 22 -4,-1.9 8,-2.5 -5,-0.5 9,-0.2 0.060 22.5-110.4 101.4 145.9 20.3 35.2 42.4 179 179 A A S S+ 0 0 16 6,-0.2 8,-2.5 1,-0.2 2,-0.3 0.954 90.7 7.1 -75.8 -51.9 19.5 32.1 40.3 180 180 A T S S+ 0 0 81 6,-0.2 2,-0.5 7,-0.1 -1,-0.2 -0.889 94.1 56.7-132.5 164.9 22.8 30.3 40.4 181 181 A G S S+ 0 0 53 -2,-0.3 -3,-0.1 1,-0.1 4,-0.0 -0.986 83.1 39.9 122.4-122.5 26.2 30.6 42.0 182 182 A G S > S- 0 0 49 -2,-0.5 3,-1.6 1,-0.1 6,-0.7 0.165 86.5 -94.6 -62.2 175.7 26.7 30.6 45.8 183 183 A S T 3 S+ 0 0 72 1,-0.3 9,-0.1 5,-0.1 -1,-0.1 0.616 121.6 58.7 -66.2 -14.4 25.0 28.7 48.6 184 184 A D T 3 S+ 0 0 35 4,-0.1 -1,-0.3 -7,-0.1 -2,-0.1 0.438 88.3 91.8 -94.7 -4.2 22.5 31.6 49.0 185 185 A T S <> S- 0 0 12 -3,-1.6 4,-2.7 1,-0.1 5,-0.2 -0.254 96.4 -96.8 -81.6 176.3 21.1 31.6 45.5 186 186 A L H > S+ 0 0 0 -8,-2.5 4,-2.4 1,-0.2 5,-0.2 0.944 128.3 51.4 -57.8 -46.4 18.1 29.6 44.4 187 187 A Q H > S+ 0 0 86 -8,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.914 112.3 45.5 -57.0 -44.9 20.4 26.9 43.2 188 188 A G H > S+ 0 0 10 -6,-0.7 4,-0.6 2,-0.2 -1,-0.2 0.886 112.1 49.4 -67.4 -43.3 22.2 26.8 46.5 189 189 A L H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.903 109.7 52.1 -62.5 -42.9 19.1 26.7 48.7 190 190 A L H >< S+ 0 0 5 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.842 100.2 63.0 -62.1 -38.4 17.6 23.9 46.6 191 191 A A H 3< S+ 0 0 90 -4,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.737 112.6 36.8 -61.0 -22.2 20.7 21.8 47.1 192 192 A R T << S+ 0 0 93 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.262 92.5 87.0-117.1 18.4 20.0 21.8 50.8 193 193 A S S < S- 0 0 4 -3,-1.3 3,-0.3 1,-0.3 13,-0.2 0.328 91.0-122.3 -95.3 4.0 16.2 21.6 50.9 194 194 A G - 0 0 49 -4,-0.2 -1,-0.3 -3,-0.2 8,-0.0 -0.330 23.0 -81.8 90.5-167.0 16.1 17.8 50.7 195 195 A S + 0 0 121 -3,-0.1 -1,-0.2 -2,-0.1 7,-0.1 0.049 59.7 152.3-134.2 29.4 14.5 15.4 48.3 196 196 A S - 0 0 36 -3,-0.3 6,-0.0 1,-0.1 -3,-0.0 -0.333 34.9-154.8 -63.8 136.7 10.8 15.1 49.3 197 197 A S S S+ 0 0 118 -2,-0.1 2,-0.7 5,-0.0 -1,-0.1 0.412 73.0 95.2 -91.6 0.2 8.4 14.2 46.5 198 198 A N S > S- 0 0 84 1,-0.2 4,-2.5 -37,-0.0 5,-0.2 -0.854 70.0-150.7 -91.1 116.8 5.5 15.9 48.4 199 199 A E H > S+ 0 0 45 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.847 92.9 50.0 -57.4 -39.4 5.3 19.4 47.0 200 200 A K H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 112.3 46.4 -68.1 -45.2 4.0 20.9 50.3 201 201 A T H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.920 113.2 50.5 -62.0 -45.5 6.7 19.3 52.5 202 202 A F H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.945 110.7 47.5 -59.9 -47.5 9.4 20.4 50.0 203 203 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.808 109.3 54.4 -65.8 -31.7 8.3 24.0 49.9 204 204 A K H X S+ 0 0 66 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.901 112.8 43.2 -65.6 -43.1 8.0 24.1 53.7 205 205 A N H X S+ 0 0 71 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.925 113.7 51.6 -69.2 -41.8 11.6 22.9 54.0 206 206 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.944 110.4 48.4 -59.7 -49.7 12.8 25.3 51.2 207 207 A H H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.853 109.8 52.1 -59.4 -38.6 11.1 28.2 52.9 208 208 A A H X S+ 0 0 56 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.931 111.5 47.4 -63.9 -44.8 12.7 27.4 56.3 209 209 A K H >X S+ 0 0 83 -4,-2.5 4,-0.6 1,-0.2 3,-0.6 0.907 111.8 50.2 -64.4 -38.7 16.2 27.2 54.6 210 210 A R H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-1.2 0.891 101.1 62.7 -66.7 -38.1 15.6 30.5 52.8 211 211 A T H 3< S+ 0 0 55 -4,-2.2 4,-0.5 1,-0.3 -1,-0.2 0.802 94.6 63.9 -58.5 -26.9 14.5 32.2 56.1 212 212 A L H << S+ 0 0 127 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.836 119.7 19.5 -67.1 -31.6 18.0 31.6 57.4 213 213 A V H X< S+ 0 0 20 -3,-1.2 3,-2.1 -4,-0.6 -2,-0.2 0.606 96.9 92.4-116.1 -13.5 19.7 33.8 54.8 214 214 A V T 3< S+ 0 0 0 -4,-2.5 -3,-0.1 1,-0.3 -2,-0.1 0.748 88.2 50.4 -58.1 -29.3 17.0 36.1 53.4 215 215 A D T 3 S+ 0 0 41 -4,-0.5 -1,-0.3 4,-0.1 2,-0.2 0.286 85.5 114.3 -94.4 13.2 17.7 38.9 55.9 216 216 A T S X> S- 0 0 65 -3,-2.1 3,-1.1 5,-0.1 4,-1.0 -0.534 77.6 -67.4 -79.5 145.9 21.4 38.9 55.2 217 217 A N T 34 S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.506 115.2 16.3 -67.8 142.0 22.9 42.0 53.5 218 218 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.913 113.1 69.6-100.8 15.1 22.3 43.0 50.7 219 219 A Y T <4 S- 0 0 55 -3,-1.1 2,-0.3 1,-0.2 -2,-0.2 0.905 112.3 -20.7 -58.2 -53.1 19.2 40.9 50.0 220 220 A N < - 0 0 24 -4,-1.0 -1,-0.2 -6,-0.1 6,-0.0 -0.986 58.9-109.9-155.6 160.4 16.8 42.6 52.4 221 221 A K > - 0 0 119 -2,-0.3 3,-2.6 -3,-0.1 4,-0.3 -0.802 68.4 -72.1 -91.2 124.7 16.6 44.9 55.5 222 222 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.0 0, 0.0 -7,-0.0 -0.299 115.3 14.6 -61.8 145.8 15.3 42.8 58.4 223 223 A P T 3> S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.820 108.6 80.7-101.4 31.0 12.7 41.8 58.9 224 224 A N H <> S+ 0 0 7 -3,-2.6 4,-2.3 1,-0.2 5,-0.1 0.840 96.3 50.5 -58.9 -36.8 11.5 42.4 55.3 225 225 A G H > S+ 0 0 0 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.904 109.5 49.4 -68.5 -43.0 13.2 39.2 54.1 226 226 A K H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.926 113.8 48.1 -60.7 -43.0 11.5 37.2 56.8 227 227 A N H X S+ 0 0 43 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.881 107.7 53.0 -67.6 -36.9 8.2 38.7 55.9 228 228 A R H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.910 112.5 44.8 -68.4 -37.4 8.6 38.2 52.1 229 229 A V H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 3,-0.4 0.888 107.3 59.5 -70.5 -39.3 9.3 34.5 52.6 230 230 A K H X S+ 0 0 95 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.838 95.4 64.9 -59.7 -31.3 6.4 34.2 55.1 231 231 A Q H X S+ 0 0 2 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.944 108.9 37.9 -56.4 -48.5 4.0 35.4 52.4 232 232 A W H X S+ 0 0 0 -4,-0.9 4,-1.5 -3,-0.4 -1,-0.2 0.876 114.8 52.8 -71.3 -43.5 4.7 32.2 50.3 233 233 A D H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.879 105.5 55.5 -63.4 -34.3 4.9 29.9 53.3 234 234 A T H X S+ 0 0 36 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.896 105.4 52.3 -65.7 -36.5 1.5 31.1 54.5 235 235 A L H <>S+ 0 0 0 -4,-1.2 5,-2.5 1,-0.2 4,-0.3 0.844 108.7 50.9 -69.0 -31.9 -0.1 30.2 51.1 236 236 A V H ><5S+ 0 0 1 -4,-1.5 3,-1.3 3,-0.2 -1,-0.2 0.933 108.8 50.4 -69.1 -46.4 1.3 26.8 51.4 237 237 A D H 3<5S+ 0 0 79 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.875 111.7 49.0 -58.3 -38.6 -0.1 26.3 54.9 238 238 A M T 3<5S- 0 0 96 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.513 111.4-123.0 -81.2 -2.4 -3.5 27.4 53.6 239 239 A G T < 5 + 0 0 53 -3,-1.3 2,-0.3 -4,-0.3 3,-0.3 0.813 66.6 139.0 67.0 27.1 -3.3 25.0 50.7 240 240 A K > < + 0 0 79 -5,-2.5 3,-1.1 1,-0.2 -1,-0.1 -0.305 14.4 141.7 -98.2 51.7 -3.8 27.9 48.1 241 241 A M T 3 + 0 0 38 -2,-0.3 -76,-1.9 1,-0.2 -77,-0.6 0.727 63.1 58.3 -62.6 -29.6 -1.2 26.4 45.8 242 242 A N T 3 S- 0 0 96 -3,-0.3 -1,-0.2 -78,-0.2 3,-0.1 0.638 90.1-144.7 -80.4 -13.7 -3.1 27.3 42.6 243 243 A L < + 0 0 1 -3,-1.1 2,-0.4 1,-0.2 -215,-0.2 0.843 55.1 126.7 50.0 39.7 -3.2 31.0 43.2 244 244 A K S S+ 0 0 64 1,-0.2 -1,-0.2 -216,-0.1 -2,-0.1 -0.979 70.0 8.7-127.1 139.7 -6.6 31.4 41.7 245 245 A N S S+ 0 0 135 -2,-0.4 -1,-0.2 1,-0.1 4,-0.1 0.923 91.3 121.0 59.0 47.0 -9.6 33.0 43.4 246 246 A V > + 0 0 2 -3,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.018 16.8 127.5-126.3 27.1 -7.4 34.2 46.2 247 247 A D H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.910 79.9 46.0 -53.2 -43.8 -7.9 38.0 46.1 248 248 A S H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 111.8 49.8 -66.6 -45.3 -8.7 38.1 49.8 249 249 A E H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.908 109.2 53.5 -60.5 -39.7 -5.9 35.8 50.9 250 250 A I H X S+ 0 0 3 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.887 106.9 51.2 -64.7 -37.5 -3.4 38.0 48.9 251 251 A A H < S+ 0 0 57 -4,-1.7 4,-0.2 -5,-0.2 -1,-0.2 0.899 113.8 46.3 -66.2 -37.3 -4.6 41.2 50.6 252 252 A Q H >< S+ 0 0 133 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.934 111.3 47.5 -72.0 -48.0 -4.1 39.5 54.0 253 253 A V H 3< S+ 0 0 19 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.755 114.1 47.6 -69.1 -22.6 -0.6 37.9 53.4 254 254 A T T 3< S+ 0 0 10 -4,-1.5 2,-2.1 -5,-0.2 -1,-0.3 0.457 81.5 109.4 -93.5 -1.4 0.8 41.2 52.0 255 255 A D < + 0 0 127 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.1 -0.518 53.4 108.0 -75.5 75.1 -0.7 43.2 55.0 256 256 A W - 0 0 37 -2,-2.1 2,-0.4 0, 0.0 -3,-0.0 -0.981 69.7-107.0-149.3 152.5 2.7 43.9 56.7 257 257 A E - 0 0 159 -2,-0.3 2,-0.4 2,-0.1 -2,-0.0 -0.739 28.9-126.2 -91.0 130.1 4.8 47.0 57.1 258 258 A M 0 0 41 -2,-0.4 -1,-0.0 -219,-0.1 -223,-0.0 -0.603 360.0 360.0 -76.3 129.0 8.1 47.4 55.2 259 259 A K 0 0 160 -2,-0.4 -2,-0.1 -38,-0.3 0, 0.0 -0.646 360.0 360.0 70.4 360.0 11.2 48.1 57.4