==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 24-NOV-08 3FD2 . COMPND 2 MOLECULE: DNA ENDONUCLEASE I-MSOI, LINKER, DNA ENDONUCLEASE . SOURCE 2 ORGANISM_SCIENTIFIC: MONOMASTIX SP. OKE-1; . AUTHOR H.LI,R.J.MONNAT . 338 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 68.9 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 . 44 13.0 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 . 2 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 . 15 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 2 4 1 0 2 0 0 3 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 . 0 0 2 0 0 0 2 0 2 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 2 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 5 A N 0 0 129 0, 0.0 2,-1.2 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 -20.5 35.7 22.0 3.7 2 6 A T + 0 0 128 1,-0.0 2,-0.5 90,-0.0 0, 0.0 -0.173 360.0 174.0 -53.6 83.5 35.8 24.5 0.7 3 7 A L - 0 0 26 -2,-1.2 5,-0.1 1,-0.1 58,-0.0 -0.841 36.6-105.7 -95.8 128.9 33.2 22.9 -1.6 4 8 A Q >> - 0 0 95 -2,-0.5 4,-3.0 1,-0.1 3,-0.8 -0.189 19.9-123.0 -59.9 139.0 32.3 24.9 -4.7 5 9 A P H 3> S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.838 113.5 44.0 -47.2 -45.5 28.9 26.8 -4.9 6 10 A T H 3> S+ 0 0 35 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.675 113.5 51.5 -78.7 -20.3 27.9 25.0 -8.1 7 11 A E H <> S+ 0 0 61 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.860 113.5 44.3 -77.7 -40.7 29.0 21.7 -6.7 8 12 A A H X S+ 0 0 3 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.903 115.2 49.3 -65.3 -43.4 27.0 22.2 -3.5 9 13 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.929 110.9 48.8 -64.6 -47.3 24.0 23.5 -5.6 10 14 A Y H X S+ 0 0 3 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.957 111.4 49.6 -54.3 -52.8 24.1 20.5 -7.9 11 15 A I H X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.3 -1,-0.2 0.887 110.0 50.7 -57.8 -42.5 24.3 18.0 -5.0 12 16 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 86,-0.3 0.908 111.3 49.1 -60.5 -43.6 21.4 19.7 -3.3 13 17 A G H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.944 114.6 44.8 -58.2 -48.7 19.5 19.4 -6.6 14 18 A F H X>S+ 0 0 1 -4,-3.1 4,-3.1 2,-0.2 5,-0.6 0.883 113.7 49.0 -65.1 -42.0 20.4 15.8 -6.9 15 19 A L H X5S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.926 109.0 52.8 -62.6 -47.5 19.6 15.1 -3.2 16 20 A D H <5S+ 0 0 0 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.810 120.5 36.8 -57.0 -31.1 16.2 16.8 -3.5 17 21 A G H <5S+ 0 0 11 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.957 139.4 4.7 -81.0 -72.7 15.6 14.5 -6.5 18 22 A D H <5S+ 0 0 40 -4,-3.1 27,-1.6 -5,-0.1 -3,-0.2 0.301 113.5 83.6-104.3 5.5 17.2 11.1 -5.8 19 23 A G E << -A 44 0A 8 -4,-2.0 2,-0.3 -5,-0.6 25,-0.2 -0.321 58.4-142.5-103.4-176.6 18.3 11.5 -2.2 20 24 A S E -A 43 0A 31 23,-1.7 23,-2.0 -2,-0.1 2,-0.5 -0.947 6.4-165.0-152.2 129.4 16.9 11.3 1.4 21 25 A I E +A 42 0A 0 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.977 34.9 155.4-107.6 124.5 17.4 13.3 4.6 22 26 A Y E -A 41 0A 64 19,-2.4 19,-2.0 -2,-0.5 2,-0.3 -0.996 33.1-148.8-154.2 155.5 16.0 11.4 7.6 23 27 A A E +A 40 0A 2 -2,-0.3 2,-0.3 108,-0.3 17,-0.2 -0.935 21.7 163.6-125.3 146.8 16.2 10.8 11.3 24 28 A K E -A 39 0A 91 15,-2.6 15,-2.7 -2,-0.3 2,-0.4 -0.977 30.7-125.2-154.0 161.0 15.5 7.7 13.4 25 29 A L E -A 38 0A 19 -2,-0.3 13,-0.2 13,-0.3 -2,-0.0 -0.969 22.8-150.1-116.1 135.0 16.1 6.2 16.8 26 30 A I E -A 37 0A 40 11,-2.6 11,-1.4 -2,-0.4 2,-0.1 -0.839 19.8-115.9-106.1 131.8 17.8 2.9 17.2 27 31 A P E -A 36 0A 86 0, 0.0 9,-0.2 0, 0.0 8,-0.0 -0.440 28.9-167.3 -58.6 137.8 17.1 0.4 20.1 28 32 A R > - 0 0 72 7,-2.6 3,-1.8 -2,-0.1 2,-0.2 -0.764 12.1-172.4-134.8 88.3 20.3 -0.0 22.2 29 33 A P T 3 S+ 0 0 119 0, 0.0 7,-0.1 0, 0.0 6,-0.1 0.226 87.2 45.9 -69.0 19.1 20.1 -3.0 24.6 30 34 A D T 3 S+ 0 0 129 -2,-0.2 5,-0.0 5,-0.1 2,-0.0 0.352 80.4 122.1-139.5 -1.3 23.4 -1.9 26.2 31 35 A Y < - 0 0 82 -3,-1.8 4,-0.1 2,-0.1 -3,-0.0 -0.310 67.2-115.3 -70.8 154.6 23.1 1.9 26.7 32 36 A K S S- 0 0 130 2,-0.2 3,-0.1 -2,-0.0 -1,-0.1 0.954 85.2 -31.8 -54.1 -68.5 23.4 3.4 30.2 33 37 A D S S+ 0 0 62 1,-0.4 2,-0.7 3,-0.1 -2,-0.1 0.685 130.8 53.9-121.1 -71.8 19.9 4.8 30.8 34 38 A I S S- 0 0 6 84,-0.2 -1,-0.4 1,-0.1 2,-0.3 -0.649 72.5-155.0 -72.7 111.5 18.2 6.0 27.7 35 39 A K + 0 0 79 -2,-0.7 -7,-2.6 -3,-0.1 2,-0.4 -0.053 63.7 83.2 -86.8 33.4 18.4 2.9 25.5 36 40 A Y E -A 27 0A 38 -2,-0.3 2,-0.5 -9,-0.2 -3,-0.1 -0.998 56.5-160.3-137.9 133.5 18.1 4.8 22.2 37 41 A Q E -A 26 0A 38 -11,-1.4 -11,-2.6 -2,-0.4 2,-0.7 -0.958 26.6-129.4-104.4 128.7 20.7 6.6 20.1 38 42 A V E -A 25 0A 3 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.3 -0.720 26.1-154.4 -77.6 113.4 19.1 9.0 17.7 39 43 A S E -A 24 0A 10 -15,-2.7 -15,-2.6 -2,-0.7 2,-0.4 -0.723 10.3-169.1 -92.1 141.1 20.6 8.2 14.2 40 44 A L E +A 23 0A 7 -2,-0.3 42,-2.6 -17,-0.2 2,-0.3 -0.979 13.6 157.7-131.7 141.6 20.8 10.9 11.5 41 45 A A E -AB 22 81A 1 -19,-2.0 -19,-2.4 -2,-0.4 2,-0.3 -0.997 30.9-153.8-158.0 154.6 21.7 10.5 7.8 42 46 A I E -AB 21 80A 0 38,-1.4 38,-3.1 -2,-0.3 2,-0.3 -0.941 28.5-173.6-120.3 153.0 21.5 11.8 4.3 43 47 A S E -AB 20 79A 7 -23,-2.0 -23,-1.7 -2,-0.3 2,-0.4 -0.968 22.6-146.5-143.4 159.9 21.7 9.4 1.4 44 48 A F E -AB 19 78A 0 34,-1.1 34,-2.0 -2,-0.3 2,-0.3 -0.994 19.6-166.0-128.8 125.9 21.9 9.2 -2.4 45 49 A I E + B 0 77A 54 -27,-1.6 2,-0.3 -2,-0.4 32,-0.2 -0.870 19.5 143.7-117.0 141.9 20.2 6.3 -4.2 46 50 A Q E - B 0 76A 16 30,-2.6 30,-4.0 -2,-0.3 2,-0.2 -0.981 49.8 -74.9-168.7 163.9 20.7 5.3 -7.8 47 51 A R E > - B 0 75A 68 -2,-0.3 3,-2.6 28,-0.3 28,-0.3 -0.475 49.6-107.2 -76.4 143.9 20.9 2.3 -10.2 48 52 A K G > S+ 0 0 90 26,-2.3 3,-1.8 1,-0.3 27,-0.1 0.770 115.2 55.9 -31.9 -54.5 24.1 0.1 -10.1 49 53 A D G 3 S+ 0 0 81 1,-0.3 -1,-0.3 25,-0.3 26,-0.1 0.690 101.6 56.5 -62.0 -23.8 25.4 1.4 -13.5 50 54 A K G X> S+ 0 0 39 -3,-2.6 3,-1.4 1,-0.2 4,-0.8 0.207 71.3 116.3 -96.0 15.1 25.4 5.0 -12.4 51 55 A F H X> + 0 0 30 -3,-1.8 4,-2.8 1,-0.3 3,-0.9 0.858 63.7 65.3 -51.3 -46.3 27.6 4.3 -9.4 52 56 A P H 3> S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.826 98.5 56.7 -48.0 -33.2 30.6 6.5 -10.6 53 57 A Y H <> S+ 0 0 64 -3,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.879 109.5 43.4 -67.2 -39.2 28.2 9.5 -10.3 54 58 A L H <>S+ 0 0 52 -4,-2.8 5,-1.9 1,-0.2 6,-0.6 0.932 105.3 50.2 -49.3 -53.8 31.3 11.3 -2.4 59 63 A D H ><5S+ 0 0 62 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.746 109.1 52.3 -61.0 -28.5 34.8 12.6 -3.4 60 64 A Q H 3<5S+ 0 0 43 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.802 100.3 62.1 -78.3 -31.2 33.4 16.2 -3.4 61 65 A L T X<5S- 0 0 8 -4,-1.7 3,-0.8 -3,-0.5 -1,-0.2 -0.049 129.8 -93.2 -85.0 32.5 32.0 15.8 0.1 62 66 A G T < 5 - 0 0 52 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.700 68.6 -73.9 64.9 22.3 35.6 15.2 1.5 63 67 A K T 3 S- 0 0 21 -42,-2.6 4,-1.7 -2,-0.4 3,-0.2 0.076 78.2 -88.6 105.6 157.3 26.2 10.8 12.1 83 87 A S H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.700 113.1 67.6 -74.7 -21.6 26.6 14.4 13.3 84 88 A T H 4 S+ 0 0 101 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.961 112.1 29.8 -62.8 -52.2 30.3 14.6 12.7 85 89 A H H >> S+ 0 0 57 -4,-0.3 4,-3.0 1,-0.2 3,-0.9 0.874 120.7 53.1 -74.8 -39.4 30.0 14.5 8.9 86 90 A L H 3X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.3 -2,-0.2 0.807 100.8 58.5 -72.3 -30.9 26.6 16.1 8.7 87 91 A S H 3< S+ 0 0 53 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.612 116.4 38.1 -73.6 -11.9 27.5 19.2 10.7 88 92 A I H <> S+ 0 0 45 -3,-0.9 4,-0.7 -4,-0.3 -2,-0.2 0.793 123.0 39.8 -96.4 -46.9 30.2 19.8 8.0 89 93 A I H >X S+ 0 0 3 -4,-3.0 3,-1.3 2,-0.2 4,-1.1 0.974 109.5 53.8 -72.7 -57.4 28.2 18.7 4.9 90 94 A L H >X S+ 0 0 0 -4,-1.7 4,-3.3 1,-0.3 3,-0.6 0.848 100.1 59.8 -52.3 -44.5 24.7 20.1 5.6 91 95 A P H 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.907 108.1 49.2 -49.9 -37.6 25.8 23.7 6.2 92 96 A D H << S+ 0 0 41 -3,-1.3 4,-0.3 -4,-0.7 -2,-0.2 0.810 119.7 35.5 -68.4 -31.4 27.2 23.5 2.6 93 97 A L H XX S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.6 3,-1.1 0.799 97.1 79.1 -94.5 -33.5 24.0 22.1 1.1 94 98 A V T 3< S+ 0 0 18 -4,-3.3 -2,-0.1 1,-0.3 -1,-0.1 0.808 88.5 56.6 -49.0 -41.7 21.2 23.9 3.1 95 99 A P T 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.901 117.1 35.3 -61.9 -35.5 21.4 27.1 1.2 96 100 A Y T <4 S+ 0 0 63 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.719 94.6 103.7 -90.8 -23.5 20.7 25.4 -2.1 97 101 A L < + 0 0 3 -4,-2.1 -84,-0.1 1,-0.1 -85,-0.1 -0.256 36.3 164.0 -58.0 142.7 18.3 22.7 -0.8 98 102 A R > + 0 0 53 -86,-0.3 3,-0.8 3,-0.1 4,-0.4 0.610 68.9 34.0-124.4 -71.2 14.7 23.2 -1.6 99 103 A I T 3 S+ 0 0 10 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.838 132.9 30.4 -60.5 -36.8 12.4 20.2 -1.2 100 104 A K T 3> S+ 0 0 18 1,-0.2 4,-2.3 -88,-0.1 -1,-0.2 0.223 84.7 110.1-112.6 13.6 14.4 18.8 1.7 101 105 A K H <> S+ 0 0 74 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.885 79.6 51.9 -55.2 -44.3 15.6 22.0 3.2 102 106 A K H > S+ 0 0 104 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.958 108.2 50.4 -59.1 -52.9 13.3 21.6 6.3 103 107 A Q H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 111.3 50.4 -49.2 -44.7 14.6 18.1 6.9 104 108 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.922 109.7 48.5 -64.0 -46.2 18.2 19.4 6.7 105 109 A N H X S+ 0 0 60 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.877 111.7 51.7 -60.2 -39.0 17.5 22.3 9.2 106 110 A R H X S+ 0 0 80 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.941 110.6 46.1 -62.9 -51.2 15.9 19.8 11.6 107 111 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.953 112.5 51.6 -54.6 -50.3 18.9 17.4 11.4 108 112 A L H X S+ 0 0 41 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.822 111.5 49.0 -56.9 -31.3 21.2 20.4 11.9 109 113 A H H X S+ 0 0 87 -4,-1.5 4,-1.5 2,-0.2 3,-0.5 0.928 105.2 54.6 -75.9 -47.5 19.0 21.3 14.9 110 114 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 3,-0.3 0.890 105.2 56.5 -49.7 -43.9 19.1 17.8 16.5 111 115 A I H < S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 105.3 51.5 -54.5 -43.8 22.9 18.1 16.3 112 116 A N H < S+ 0 0 130 -4,-1.0 4,-0.3 -3,-0.5 -1,-0.2 0.811 117.9 36.5 -64.7 -33.5 22.8 21.3 18.4 113 117 A L H X S+ 0 0 74 -4,-1.5 4,-2.8 -3,-0.3 5,-0.2 0.614 95.0 86.4 -95.9 -16.7 20.6 19.8 21.1 114 118 A Y H X S+ 0 0 29 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.1 0.899 80.8 58.1 -58.1 -50.1 22.0 16.3 21.3 115 119 A P H 4 S+ 0 0 77 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.914 119.3 31.0 -46.0 -54.1 24.9 16.8 23.7 116 120 A Q H >4 S+ 0 0 139 -4,-0.3 3,-0.8 1,-0.2 -2,-0.2 0.885 118.1 54.7 -72.2 -41.5 22.6 18.1 26.4 117 121 A A H >< S+ 0 0 2 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.654 89.8 84.9 -64.3 -15.1 19.5 16.0 25.5 118 122 A Q T 3< S+ 0 0 89 -4,-1.7 -84,-0.2 -3,-0.4 -1,-0.2 0.804 100.7 23.4 -65.9 -38.2 21.7 12.9 25.7 119 123 A K T < S+ 0 0 160 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 -0.101 108.4 81.9-122.6 34.8 21.4 12.1 29.4 120 124 A N <> - 0 0 51 -3,-1.1 4,-2.5 1,-0.1 5,-0.2 -0.900 59.7-159.3-139.8 108.3 18.1 13.9 30.2 121 125 A P H > S+ 0 0 17 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.767 94.4 53.9 -57.9 -32.2 14.9 12.0 29.4 122 126 A S H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.945 114.8 38.6 -65.7 -51.0 12.9 15.3 29.3 123 127 A K H > S+ 0 0 107 2,-0.2 4,-1.2 1,-0.2 -6,-0.2 0.749 113.9 56.7 -73.8 -25.9 15.3 16.9 26.7 124 128 A F H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.908 107.5 48.0 -67.8 -44.9 15.6 13.6 24.9 125 129 A L H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.923 109.6 52.3 -59.7 -46.9 11.8 13.4 24.4 126 130 A D H X S+ 0 0 78 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.814 113.1 45.8 -58.4 -33.4 11.7 17.1 23.2 127 131 A L H X S+ 0 0 0 -4,-1.2 4,-1.4 2,-0.2 3,-0.5 0.845 104.8 59.9 -77.4 -37.0 14.4 16.0 20.7 128 132 A V H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 21,-0.2 0.799 96.9 63.3 -61.6 -28.4 12.5 12.9 19.7 129 133 A K H X S+ 0 0 25 -4,-1.6 4,-2.1 2,-0.2 3,-0.4 0.918 100.3 51.0 -57.5 -45.3 9.7 15.2 18.7 130 134 A I H X S+ 0 0 19 -4,-0.7 4,-2.0 -3,-0.5 -2,-0.2 0.849 105.2 55.9 -64.1 -33.9 12.1 16.7 16.0 131 135 A V H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -108,-0.3 0.817 107.2 52.3 -62.7 -31.3 12.8 13.1 14.9 132 136 A D H X S+ 0 0 14 -4,-1.2 4,-2.0 -3,-0.4 14,-0.3 0.939 106.3 50.0 -70.5 -48.7 9.0 12.9 14.4 133 137 A D H X S+ 0 0 73 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.938 110.1 51.8 -53.9 -51.0 8.6 16.0 12.3 134 138 A V H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.3 -1,-0.2 0.905 111.4 45.2 -54.0 -49.0 11.4 14.9 10.0 135 139 A Q H < S+ 0 0 40 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.802 114.6 50.4 -66.6 -30.1 9.8 11.5 9.4 136 140 A N H >< S+ 0 0 35 -4,-2.0 3,-1.4 -3,-0.2 -2,-0.2 0.853 105.8 54.2 -72.5 -40.4 6.5 13.2 8.9 137 141 A L H 3< S+ 0 0 60 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.743 107.5 52.6 -65.3 -26.1 7.9 15.7 6.4 138 142 A N T 3< S+ 0 0 55 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.422 103.9 80.8 -85.8 -1.6 9.1 12.6 4.5 139 143 A K S < S- 0 0 53 -3,-1.4 2,-0.1 -5,-0.1 -3,-0.1 -0.507 78.9-114.9-100.9 168.6 5.6 11.2 4.5 140 144 A R - 0 0 109 -2,-0.2 -1,-0.1 4,-0.1 -2,-0.1 -0.338 34.0-105.8 -84.4 177.3 2.4 11.7 2.5 141 145 A A S S+ 0 0 103 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.958 117.7 46.2 -67.9 -52.9 -0.8 13.2 3.9 142 146 A D S S+ 0 0 127 2,-0.0 -1,-0.2 -3,-0.0 2,-0.1 0.552 93.9 102.3 -70.1 -11.7 -2.7 9.9 4.1 143 147 A E S S- 0 0 82 1,-0.1 -4,-0.1 -7,-0.1 2,-0.0 -0.399 86.9 -88.6 -77.9 149.7 0.1 7.9 5.7 144 148 A L - 0 0 158 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.322 48.6-120.9 -52.1 134.0 0.4 7.0 9.4 145 149 A K - 0 0 139 1,-0.1 -1,-0.1 -3,-0.1 -9,-0.1 -0.566 33.1 -88.4 -88.9 146.1 2.1 9.8 11.4 146 150 A S + 0 0 16 -14,-0.3 3,-0.2 -2,-0.2 -1,-0.1 -0.267 39.7 178.9 -59.8 128.7 5.3 9.3 13.4 147 151 A T > + 0 0 60 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.007 42.8 116.6-123.3 24.1 4.6 8.2 17.0 148 152 A N H > S+ 0 0 19 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.867 79.2 50.6 -59.3 -41.2 8.2 7.8 18.3 149 153 A Y H > S+ 0 0 6 -21,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 112.1 46.5 -66.2 -41.4 7.7 10.5 20.9 150 154 A D H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.904 112.0 49.9 -67.1 -43.4 4.4 9.0 22.1 151 155 A R H X S+ 0 0 130 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.696 114.9 45.3 -69.7 -21.7 5.9 5.4 22.4 152 156 A L H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.760 107.6 54.6 -92.2 -31.5 8.9 6.8 24.3 153 157 A L H X S+ 0 0 17 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.893 112.9 45.7 -64.7 -40.5 7.0 9.0 26.7 154 158 A E H X S+ 0 0 86 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.859 114.1 48.9 -65.8 -39.0 5.0 5.9 27.6 155 159 A E H X S+ 0 0 72 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.869 111.2 49.1 -69.8 -38.6 8.3 3.9 27.8 156 160 A F H <>S+ 0 0 7 -4,-2.7 5,-2.6 2,-0.2 6,-1.2 0.827 112.0 47.8 -71.2 -34.9 9.9 6.6 30.0 157 161 A L H ><5S+ 0 0 66 -4,-1.7 3,-1.0 3,-0.2 -2,-0.2 0.908 113.7 46.9 -71.8 -43.0 7.0 6.8 32.5 158 162 A K H 3<5S+ 0 0 186 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.821 113.1 49.2 -66.1 -33.8 6.8 3.0 32.8 159 163 A A T 3<5S- 0 0 58 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.351 114.2-120.1 -87.4 5.7 10.5 2.7 33.3 160 164 A G T < 5S+ 0 0 52 -3,-1.0 -3,-0.2 2,-0.2 -4,-0.1 0.671 77.2 127.1 65.3 20.6 10.3 5.5 35.9 161 165 A K S > - 0 0 84 -2,-0.9 4,-2.2 1,-0.0 3,-1.5 -0.502 39.4 -88.8 -92.0 160.0 22.8 32.1 -12.5 181 212 A P H 3> S+ 0 0 73 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.779 125.8 39.6 -32.8 -59.8 25.5 29.4 -11.8 182 213 A T H 3> S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.701 113.0 57.1 -73.2 -22.8 23.8 27.9 -8.6 183 214 A E H <> S+ 0 0 38 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.918 114.1 38.1 -67.2 -47.9 20.4 28.3 -10.1 184 215 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.881 113.9 56.4 -69.5 -40.0 21.4 26.1 -13.1 185 216 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.920 108.9 46.1 -60.0 -47.6 23.5 23.8 -11.0 186 217 A Y H X S+ 0 0 3 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.963 112.6 49.5 -56.9 -54.5 20.6 22.9 -8.7 187 218 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.3 5,-0.2 0.901 111.4 49.1 -57.3 -43.8 18.2 22.4 -11.7 188 219 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 86,-0.3 0.908 111.2 51.0 -59.9 -44.0 20.7 20.1 -13.4 189 220 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.943 114.2 44.0 -54.4 -49.4 21.1 18.2 -10.1 190 221 A F H X>S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.6 0.838 113.1 49.6 -68.7 -38.1 17.4 17.8 -9.8 191 222 A L H X5S+ 0 0 0 -4,-2.9 4,-1.3 3,-0.2 -1,-0.2 0.889 109.1 53.2 -66.9 -42.8 16.9 16.9 -13.5 192 223 A D H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.824 121.1 34.7 -57.8 -34.8 19.7 14.3 -13.1 193 224 A G H <5S+ 0 0 11 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.947 140.3 5.6 -80.4 -77.8 17.7 13.0 -10.2 194 225 A D H <5S+ 0 0 38 -4,-2.5 27,-1.7 -5,-0.1 -3,-0.2 0.330 113.3 85.1 -97.0 4.4 14.0 13.3 -10.8 195 226 A G E << -D 220 0B 11 -4,-1.3 2,-0.3 -5,-0.6 25,-0.2 -0.269 58.2-143.0-100.2-175.4 14.1 14.6 -14.5 196 227 A S E -D 219 0B 33 23,-2.1 23,-2.8 -2,-0.1 2,-0.5 -0.983 6.2-164.8-148.9 139.1 14.2 13.2 -18.0 197 228 A I E +D 218 0B 0 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.981 34.0 155.7-122.0 118.3 15.9 14.2 -21.3 198 229 A Y E -D 217 0B 62 19,-2.2 19,-1.9 -2,-0.5 2,-0.3 -0.965 33.2-151.7-148.8 156.4 14.5 12.3 -24.3 199 230 A A E +D 216 0B 3 -2,-0.3 2,-0.3 108,-0.3 17,-0.2 -0.913 20.3 174.7-125.6 152.3 13.9 12.2 -28.0 200 231 A K E -D 215 0B 95 15,-2.1 15,-3.4 -2,-0.3 2,-0.6 -0.993 30.8-119.2-155.9 155.9 11.1 10.5 -30.0 201 232 A L E -D 214 0B 23 -2,-0.3 13,-0.2 13,-0.2 -2,-0.0 -0.895 26.6-157.3 -98.8 122.3 9.7 10.0 -33.4 202 233 A I E -D 213 0B 34 11,-3.0 11,-1.7 -2,-0.6 2,-0.6 -0.879 16.8-128.7-101.9 123.2 6.1 11.1 -33.8 203 234 A P E -D 212 0B 89 0, 0.0 9,-0.2 0, 0.0 8,-0.0 -0.609 24.9-170.9 -69.4 115.6 4.0 9.6 -36.6 204 235 A R - 0 0 87 7,-2.9 3,-0.4 -2,-0.6 2,-0.3 -0.872 11.8-160.9-113.1 97.4 2.4 12.6 -38.5 205 236 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.280 83.8 52.0 -63.7 15.1 -0.2 11.2 -41.1 206 237 A D S S+ 0 0 123 -2,-0.3 2,-0.3 5,-0.1 5,-0.0 -0.372 74.6 128.6-153.1 62.0 -0.0 14.5 -43.0 207 238 A Y - 0 0 90 -3,-0.4 4,-0.1 2,-0.1 6,-0.0 -0.824 63.0-111.0-121.8 161.6 3.5 15.6 -44.0 208 239 A K S S- 0 0 165 -2,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.877 93.3 -37.0 -54.9 -48.3 5.2 16.6 -47.2 209 240 A D S S+ 0 0 51 1,-0.3 2,-0.8 85,-0.1 -2,-0.1 0.396 131.4 57.8-146.1 -67.1 7.5 13.6 -47.7 210 241 A I - 0 0 5 84,-0.4 -1,-0.3 1,-0.1 2,-0.2 -0.733 68.1-157.5 -82.3 111.3 8.8 12.3 -44.4 211 242 A K + 0 0 91 -2,-0.8 -7,-2.9 -4,-0.1 2,-0.3 -0.015 65.2 77.3 -85.6 31.8 5.7 11.6 -42.3 212 243 A Y E -D 203 0B 46 -9,-0.2 2,-0.4 -2,-0.2 -3,-0.1 -0.970 58.7-157.9-135.2 152.6 7.5 11.8 -39.0 213 244 A Q E -D 202 0B 43 -11,-1.7 -11,-3.0 -2,-0.3 2,-0.6 -0.993 23.5-125.9-125.9 137.5 8.8 14.6 -36.8 214 245 A V E -D 201 0B 5 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.758 27.9-154.6 -78.7 118.2 11.5 14.2 -34.2 215 246 A S E -D 200 0B 9 -15,-3.4 -15,-2.1 -2,-0.6 2,-0.4 -0.825 8.0-163.5 -97.3 137.8 10.1 15.5 -30.9 216 247 A L E +D 199 0B 12 -2,-0.4 42,-2.9 -17,-0.2 2,-0.3 -0.955 17.2 153.3-125.6 140.5 12.6 16.8 -28.3 217 248 A A E -DE 198 257B 1 -19,-1.9 -19,-2.2 -2,-0.4 2,-0.4 -0.996 33.1-153.7-158.9 154.3 11.9 17.3 -24.5 218 249 A I E -DE 197 256B 0 38,-1.2 38,-2.9 -2,-0.3 2,-0.3 -0.978 28.5-170.7-124.5 144.6 13.2 17.6 -21.0 219 250 A S E -DE 196 255B 10 -23,-2.8 -23,-2.1 -2,-0.4 2,-0.4 -0.933 18.9-149.8-132.5 158.0 10.8 16.8 -18.2 220 251 A F E -DE 195 254B 0 34,-2.4 34,-2.4 -2,-0.3 2,-0.4 -0.999 17.1-165.3-125.6 129.8 10.6 17.0 -14.4 221 252 A I E + E 0 253B 50 -27,-1.7 2,-0.3 -2,-0.4 32,-0.2 -0.925 20.7 140.1-120.6 139.9 8.5 14.5 -12.4 222 253 A Q E - E 0 252B 15 30,-2.1 30,-3.0 -2,-0.4 2,-0.1 -0.978 53.1 -77.1-165.9 162.1 7.3 14.8 -8.8 223 254 A R E > - E 0 251B 80 -2,-0.3 3,-2.0 28,-0.3 28,-0.2 -0.469 48.0-113.8 -69.5 147.1 4.4 14.2 -6.3 224 255 A K G > S+ 0 0 117 26,-2.5 3,-2.3 1,-0.3 27,-0.1 0.804 113.5 63.0 -57.5 -36.8 1.6 16.8 -6.5 225 256 A D G 3 S+ 0 0 73 1,-0.3 -1,-0.3 25,-0.2 26,-0.1 0.800 105.3 48.7 -56.4 -29.3 2.3 18.1 -3.0 226 257 A K G X> S+ 0 0 42 -3,-2.0 3,-1.7 1,-0.2 4,-0.8 0.319 78.9 111.5 -93.9 7.2 5.7 19.1 -4.2 227 258 A F H X> + 0 0 42 -3,-2.3 4,-2.6 1,-0.3 3,-1.2 0.854 65.6 65.3 -47.4 -47.8 4.2 20.8 -7.4 228 259 A P H 3> S+ 0 0 74 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.806 96.3 58.4 -47.6 -32.1 5.2 24.3 -6.2 229 260 A Y H <> S+ 0 0 62 -3,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.855 107.9 44.8 -68.4 -35.2 8.8 23.3 -6.5 230 261 A L H <>S+ 0 0 50 -4,-3.2 5,-2.2 1,-0.2 6,-0.6 0.946 109.5 44.1 -53.7 -55.1 9.4 26.7 -14.4 235 266 A D H ><5S+ 0 0 63 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.855 111.6 55.0 -56.8 -39.1 9.5 30.4 -13.4 236 267 A Q H 3<5S+ 0 0 42 -4,-2.3 -58,-0.4 1,-0.3 -1,-0.2 0.756 101.7 57.4 -72.4 -25.6 13.3 30.2 -13.2 237 268 A L T <<5S- 0 0 2 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.112 131.2 -90.3 -90.6 18.7 13.6 28.9 -16.7 238 269 A G T < 5 - 0 0 48 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.2 0.620 69.6 -74.5 81.9 15.0 11.8 31.9 -18.1 239 270 A K S > S- 0 0 23 -42,-2.9 4,-1.9 -2,-0.4 3,-0.5 0.216 78.5 -92.2 106.0 146.4 10.7 21.7 -28.8 259 290 A S H 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.821 112.9 68.8 -57.0 -37.4 13.9 23.1 -30.0 260 291 A T H 34 S+ 0 0 101 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.908 110.5 31.1 -51.4 -51.7 12.9 26.7 -29.4 261 292 A H H X> S+ 0 0 57 -3,-0.5 4,-3.2 -4,-0.3 3,-1.1 0.900 120.6 51.1 -73.9 -43.0 12.9 26.4 -25.6 262 293 A L H 3X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.3 -2,-0.2 0.707 99.7 64.2 -73.8 -20.9 15.6 23.8 -25.4 263 294 A S H 3< S+ 0 0 51 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.749 116.4 32.1 -65.7 -25.5 17.9 26.0 -27.5 264 295 A I H <4 S+ 0 0 57 -3,-1.1 4,-0.4 -4,-0.4 -2,-0.2 0.867 125.2 39.8 -97.2 -51.0 17.7 28.4 -24.7 265 296 A I H >X S+ 0 0 1 -4,-3.2 3,-1.8 1,-0.2 4,-0.8 0.955 108.0 57.2 -67.5 -55.7 17.4 26.2 -21.6 266 297 A L H >X S+ 0 0 0 -4,-0.9 4,-2.7 1,-0.3 3,-2.0 0.879 99.2 56.8 -51.0 -52.1 19.8 23.3 -22.3 267 298 A P H 34 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.750 106.8 54.2 -53.1 -22.7 23.0 25.4 -22.8 268 299 A D H <4 S+ 0 0 44 -3,-1.8 -2,-0.2 -4,-0.4 4,-0.1 0.739 117.0 34.6 -78.1 -25.7 22.4 26.7 -19.3 269 300 A L H XX S+ 0 0 0 -3,-2.0 4,-1.8 -4,-0.8 3,-1.4 0.740 97.1 80.6-102.4 -28.8 22.2 23.2 -17.8 270 301 A V T 3< S+ 0 0 18 -4,-2.7 3,-0.3 1,-0.3 -2,-0.1 0.861 88.2 55.5 -47.9 -48.9 24.7 21.3 -19.9 271 302 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.740 117.9 36.0 -63.7 -21.2 27.8 22.5 -18.0 272 303 A Y T <4 S+ 0 0 66 -3,-1.4 -2,-0.2 -4,-0.1 -3,-0.1 0.614 93.8 105.5-105.7 -15.8 26.3 21.3 -14.7 273 304 A L < + 0 0 3 -4,-1.8 -84,-0.1 -3,-0.3 -85,-0.1 -0.348 35.1 163.4 -65.3 142.1 24.6 18.1 -15.9 274 305 A R > + 0 0 51 -86,-0.3 3,-1.0 -2,-0.1 4,-0.4 0.596 69.4 31.7-121.0 -76.8 26.2 14.8 -15.1 275 306 A I T 3 S+ 0 0 14 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.784 134.1 30.8 -57.7 -31.0 24.1 11.7 -15.5 276 307 A K T 3> S+ 0 0 15 -88,-0.1 4,-2.2 1,-0.1 -1,-0.2 0.277 85.3 108.1-117.6 9.3 22.1 13.1 -18.3 277 308 A K H <> S+ 0 0 69 -3,-1.0 4,-2.3 1,-0.2 5,-0.2 0.819 78.5 53.6 -58.5 -37.7 24.7 15.4 -20.0 278 309 A K H > S+ 0 0 132 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.959 108.0 49.3 -64.6 -51.0 25.1 13.1 -23.0 279 310 A Q H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.911 110.3 53.4 -51.1 -46.8 21.3 13.2 -23.7 280 311 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.934 110.5 44.5 -54.8 -53.4 21.4 17.0 -23.4 281 312 A N H X S+ 0 0 74 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.883 111.2 53.7 -60.9 -42.0 24.2 17.4 -26.0 282 313 A R H X S+ 0 0 81 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.907 108.6 49.8 -59.8 -44.0 22.6 14.9 -28.4 283 314 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.957 111.0 49.0 -58.2 -51.3 19.4 16.9 -28.2 284 315 A L H X S+ 0 0 39 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.881 111.1 51.8 -52.9 -39.3 21.4 20.1 -28.9 285 316 A H H X S+ 0 0 68 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.933 109.0 48.4 -65.1 -47.3 23.0 18.2 -31.8 286 317 A I H < S+ 0 0 0 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.935 112.1 49.6 -56.5 -49.3 19.6 17.2 -33.2 287 318 A I H >< S+ 0 0 29 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.917 110.3 53.4 -52.2 -45.8 18.5 20.8 -32.9 288 319 A N H 3< S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 119.0 30.0 -62.6 -40.9 21.7 21.8 -34.7 289 320 A L T 3< S+ 0 0 54 -4,-2.1 4,-0.5 -3,-0.1 -1,-0.2 0.031 94.9 91.5-112.2 27.9 21.2 19.6 -37.8 290 321 A Y S <> S+ 0 0 46 -3,-0.9 4,-1.4 -4,-0.3 3,-0.5 0.888 72.6 67.1 -84.8 -44.6 17.4 19.4 -38.0 291 322 A P T >4 S+ 0 0 62 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.894 111.1 35.8 -38.1 -55.7 16.9 22.3 -40.4 292 323 A Q T 3> S+ 0 0 105 1,-0.2 4,-1.2 2,-0.1 3,-0.4 0.735 110.5 65.2 -72.0 -25.9 18.6 20.4 -43.2 293 324 A A T 34 S+ 0 0 0 -3,-0.5 7,-0.3 -4,-0.5 -1,-0.2 0.708 85.8 71.5 -72.6 -22.4 17.2 17.1 -42.1 294 325 A Q T << S+ 0 0 95 -4,-1.4 -84,-0.4 -3,-0.6 -1,-0.2 0.892 106.4 33.5 -62.6 -44.3 13.6 18.0 -42.8 295 326 A K T 4 S+ 0 0 106 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.910 110.9 65.1 -79.5 -44.8 13.9 17.9 -46.6 296 327 A N X - 0 0 57 -4,-1.2 4,-2.1 1,-0.1 5,-0.1 -0.734 60.2-161.6 -92.7 116.7 16.5 15.1 -47.1 297 328 A P H > S+ 0 0 22 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.721 94.6 57.7 -64.3 -23.1 15.4 11.6 -46.0 298 329 A S H > S+ 0 0 77 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.902 110.8 39.9 -72.2 -44.3 19.2 10.7 -46.0 299 330 A K H > S+ 0 0 101 1,-0.2 4,-0.8 2,-0.2 -6,-0.2 0.774 113.2 56.4 -75.5 -28.4 20.0 13.4 -43.4 300 331 A F H X S+ 0 0 3 -4,-2.1 4,-2.1 -7,-0.3 -2,-0.2 0.885 105.1 54.4 -65.3 -39.9 16.8 12.7 -41.6 301 332 A L H X S+ 0 0 10 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.952 108.8 42.5 -62.0 -56.9 17.9 9.0 -41.2 302 333 A D H < S+ 0 0 71 -4,-1.5 4,-0.5 1,-0.3 -1,-0.2 0.680 115.3 53.1 -69.8 -15.0 21.3 9.5 -39.6 303 334 A L H >X S+ 0 0 0 -4,-0.8 4,-1.1 2,-0.2 3,-0.8 0.817 102.1 57.9 -77.6 -37.0 19.6 12.2 -37.4 304 335 A V H 3X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.772 97.4 63.6 -61.4 -26.3 17.0 9.5 -36.5 305 336 A K H 3X S+ 0 0 96 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.858 96.2 56.1 -62.8 -37.5 20.1 7.5 -35.2 306 337 A I H <> S+ 0 0 19 -3,-0.8 4,-2.9 -4,-0.5 -2,-0.2 0.866 105.1 52.8 -63.6 -36.3 20.7 10.3 -32.6 307 338 A V H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -108,-0.3 0.928 111.1 46.0 -61.4 -47.4 17.1 9.6 -31.5 308 339 A D H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 14,-0.4 0.930 112.9 50.8 -58.4 -47.0 17.9 5.9 -31.1 309 340 A D H X S+ 0 0 62 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.913 110.9 47.8 -59.1 -47.2 21.2 6.8 -29.4 310 341 A V H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.942 113.1 47.2 -58.6 -50.9 19.4 9.1 -26.9 311 342 A Q H < S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 110.1 55.1 -60.9 -35.4 16.7 6.5 -26.1 312 343 A N H >< S+ 0 0 37 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.895 104.2 52.7 -61.0 -44.4 19.5 4.0 -25.7 313 344 A L H 3< S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 101.3 62.2 -62.1 -35.1 21.2 6.2 -23.1 314 345 A N T 3< S+ 0 0 57 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.3 -0.049 103.0 67.0 -79.4 31.7 17.9 6.2 -21.3 315 346 A K S < S- 0 0 39 -3,-1.1 2,-0.1 -2,-0.1 6,-0.0 -0.984 86.5-108.1-146.1 154.0 18.2 2.5 -20.9 316 347 A R > - 0 0 109 -2,-0.3 3,-1.1 1,-0.1 -2,-0.0 -0.478 45.6-101.1 -73.7 157.1 20.4 -0.1 -19.1 317 348 A A T 3 S+ 0 0 96 1,-0.2 4,-0.1 -2,-0.1 -1,-0.1 0.764 118.1 53.9 -50.9 -33.8 22.8 -2.1 -21.2 318 349 A D T 3 S+ 0 0 114 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.743 83.2 101.0 -80.9 -26.3 20.6 -5.2 -21.3 319 350 A E S < S- 0 0 68 -3,-1.1 2,-0.2 1,-0.1 -4,-0.1 -0.258 90.7 -89.7 -58.2 145.5 17.4 -3.6 -22.5 320 351 A L - 0 0 164 1,-0.1 2,-0.1 3,-0.0 -1,-0.1 -0.411 50.1-117.9 -57.7 125.7 16.5 -4.1 -26.2 321 352 A K - 0 0 89 -2,-0.2 -1,-0.1 1,-0.1 -12,-0.1 -0.432 33.6 -91.6 -77.5 142.0 18.0 -1.2 -28.1 322 353 A S - 0 0 27 -14,-0.4 3,-0.2 -2,-0.1 -1,-0.1 -0.178 32.3-166.4 -56.7 138.1 15.8 1.3 -30.1 323 354 A T > + 0 0 65 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.000 48.7 119.8-120.8 25.9 15.2 0.3 -33.7 324 355 A N H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.843 80.5 51.3 -57.1 -37.4 13.7 3.6 -35.1 325 356 A Y H > S+ 0 0 65 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.866 111.6 46.4 -69.0 -38.1 16.6 3.8 -37.6 326 357 A D H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.859 115.3 46.8 -70.3 -36.8 16.0 0.2 -38.7 327 358 A R H X S+ 0 0 127 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.871 115.1 44.0 -75.4 -39.3 12.3 0.8 -39.0 328 359 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.799 110.0 56.3 -73.5 -31.6 12.5 4.1 -40.9 329 360 A L H X S+ 0 0 53 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.919 110.7 45.2 -62.7 -44.9 15.3 2.7 -43.2 330 361 A E H X S+ 0 0 102 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.918 114.7 48.7 -60.9 -46.8 12.9 -0.1 -44.2 331 362 A E H X S+ 0 0 68 -4,-1.8 4,-1.0 1,-0.2 6,-0.2 0.885 110.9 48.9 -63.7 -43.5 10.1 2.4 -44.6 332 363 A F H <>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 6,-0.9 0.835 111.4 49.9 -67.0 -36.5 12.1 4.8 -46.8 333 364 A L H ><5S+ 0 0 80 -4,-1.8 3,-1.2 3,-0.2 -2,-0.2 0.938 113.1 45.0 -65.1 -48.3 13.3 2.0 -49.1 334 365 A K H 3<5S+ 0 0 168 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.627 112.3 52.2 -75.0 -15.5 9.8 0.6 -49.6 335 366 A A T 3<5S- 0 0 54 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.408 111.5-125.8 -92.3 -2.1 8.5 4.1 -50.2 336 367 A G T < 5S+ 0 0 46 -3,-1.2 -3,-0.2 -4,-0.1 -2,-0.1 0.618 72.5 129.7 68.9 15.3 11.3 4.5 -52.8 337 368 A K S