==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-09 3KZO . COMPND 2 MOLECULE: N-ACETYLORNITHINE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR D.SHI,X.YU,N.M.ALLEWELL,M.TUCHMAN . 332 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 15.4 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 2 0 0 0 1 0 1 2 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 2 0 5 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 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 . 1 1 0 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 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 L 0 0 137 0, 0.0 2,-0.4 0, 0.0 135,-0.1 0.000 360.0 360.0 360.0 124.9 82.0 49.7 80.0 2 4 A K + 0 0 89 329,-0.2 2,-0.2 2,-0.0 136,-0.0 -0.746 360.0 177.3 -92.0 130.6 85.2 51.5 81.1 3 5 A H - 0 0 31 -2,-0.4 2,-0.4 134,-0.2 136,-0.2 -0.712 32.9-127.8-121.3 172.5 88.4 49.5 81.3 4 6 A F B +a 139 0A 0 134,-2.8 136,-2.6 -2,-0.2 3,-0.1 -0.720 57.6 131.9-123.5 79.3 92.0 50.4 82.1 5 7 A L S S- 0 0 28 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.766 76.6 -3.3 -96.4 -34.0 93.8 48.9 79.2 6 8 A N > - 0 0 16 -3,-0.2 3,-1.1 140,-0.1 -1,-0.4 -0.971 55.7-129.6-160.0 144.1 96.0 51.9 78.3 7 9 A T G > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.3 8,-0.1 0.809 108.0 69.3 -66.2 -27.1 96.4 55.5 79.5 8 10 A Q G 3 S+ 0 0 38 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.791 92.9 57.3 -60.9 -28.1 96.1 56.5 75.8 9 11 A D G < S+ 0 0 90 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.600 99.6 75.7 -77.9 -12.9 92.4 55.5 76.0 10 12 A W S < S- 0 0 14 -3,-1.7 2,-0.1 -4,-0.3 -6,-0.0 -0.726 85.4-114.9-101.9 151.1 91.8 57.9 78.8 11 13 A S > - 0 0 52 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.424 28.9-112.8 -78.2 158.6 91.5 61.7 78.6 12 14 A R H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 118.9 55.3 -59.7 -34.0 94.1 63.9 80.2 13 15 A A H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 108.5 46.9 -65.9 -41.8 91.5 65.1 82.7 14 16 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.899 113.3 48.9 -66.7 -40.3 90.7 61.5 83.7 15 17 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.881 109.8 51.2 -66.9 -39.0 94.4 60.6 84.1 16 18 A D H X S+ 0 0 54 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.882 109.6 51.5 -64.8 -36.3 95.0 63.8 86.2 17 19 A A H X S+ 0 0 60 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.882 108.9 50.3 -67.1 -39.5 92.1 62.7 88.4 18 20 A L H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.933 110.9 48.2 -63.3 -47.5 93.6 59.2 88.8 19 21 A L H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.877 112.0 50.3 -62.2 -37.8 97.0 60.6 89.8 20 22 A T H X S+ 0 0 97 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.921 111.0 47.2 -67.1 -43.1 95.3 63.0 92.3 21 23 A Q H X S+ 0 0 61 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.855 109.5 56.3 -65.3 -33.0 93.3 60.2 93.9 22 24 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 107.8 46.8 -62.3 -46.7 96.6 58.2 94.0 23 25 A A H X S+ 0 0 39 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.886 112.3 51.4 -62.8 -37.1 98.2 61.0 95.9 24 26 A L H >X S+ 0 0 79 -4,-2.1 4,-1.8 1,-0.2 3,-0.7 0.912 109.1 49.1 -66.6 -42.9 95.1 61.1 98.2 25 27 A F H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 104.4 60.4 -65.5 -30.4 95.3 57.3 98.8 26 28 A K H 3< S+ 0 0 60 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.787 109.2 43.7 -68.0 -24.9 99.0 57.7 99.6 27 29 A R H << S+ 0 0 210 -4,-0.9 2,-0.4 -3,-0.7 -2,-0.2 0.807 128.8 25.7 -86.7 -34.4 97.9 60.0 102.5 28 30 A N S < S+ 0 0 102 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.829 70.3 176.6-132.3 91.5 95.0 57.9 103.7 29 31 A K + 0 0 111 -2,-0.4 2,-0.4 -3,-0.3 -1,-0.1 0.818 57.9 72.7 -69.8 -35.4 95.6 54.2 102.8 30 32 A L + 0 0 131 31,-0.1 2,-0.3 2,-0.0 31,-0.2 -0.692 61.8 141.8 -87.1 133.9 92.6 52.5 104.4 31 33 A G - 0 0 28 29,-2.5 3,-0.1 -2,-0.4 -2,-0.0 -0.877 53.2-123.4-152.8-176.1 89.2 53.0 102.8 32 34 A S > + 0 0 82 -2,-0.3 3,-2.0 1,-0.1 29,-0.1 0.200 68.5 116.6-124.0 15.8 86.0 51.4 101.8 33 35 A E T 3 S+ 0 0 84 1,-0.3 29,-0.1 30,-0.0 -1,-0.1 0.744 90.9 31.6 -56.1 -25.5 85.9 51.9 98.1 34 36 A L T > S+ 0 0 5 27,-2.2 3,-2.5 24,-0.1 -1,-0.3 0.039 82.5 158.5-121.8 27.3 86.0 48.1 97.5 35 37 A K T < S- 0 0 145 -3,-2.0 28,-0.2 1,-0.3 27,-0.1 -0.317 79.5 -4.4 -58.6 119.6 84.2 46.9 100.6 36 38 A G T 3 S+ 0 0 70 26,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.485 112.2 117.4 76.5 1.9 82.8 43.5 100.0 37 39 A K < - 0 0 89 -3,-2.5 27,-1.5 21,-0.1 2,-0.3 -0.534 46.9-157.5 -97.6 167.2 84.1 43.6 96.4 38 40 A S E -b 64 0A 27 25,-0.2 67,-2.3 -2,-0.2 68,-1.0 -0.971 10.2-153.1-145.5 158.9 86.8 41.5 94.8 39 41 A I E -bc 65 106A 2 25,-1.9 27,-2.5 -2,-0.3 2,-0.6 -0.994 14.7-140.1-133.5 136.5 89.3 41.4 91.9 40 42 A A E -bc 66 107A 0 66,-2.5 68,-3.1 -2,-0.4 2,-0.8 -0.887 14.2-156.8 -97.2 121.0 90.7 38.4 90.1 41 43 A L E -bc 67 108A 0 25,-2.8 27,-2.8 -2,-0.6 2,-0.7 -0.868 9.6-164.7-100.9 103.8 94.4 38.8 89.3 42 44 A V E -bc 68 109A 4 66,-2.9 68,-2.4 -2,-0.8 2,-0.6 -0.805 5.2-170.9 -95.7 112.3 95.2 36.6 86.4 43 45 A F E + c 0 110A 10 25,-3.0 68,-0.1 -2,-0.7 4,-0.1 -0.888 23.0 169.2-108.0 118.3 98.9 36.0 85.9 44 46 A F S S+ 0 0 62 66,-2.5 67,-0.2 -2,-0.6 -1,-0.1 0.496 77.8 30.8 -98.1 -5.7 100.3 34.2 82.8 45 47 A N S S- 0 0 48 65,-0.3 65,-0.1 1,-0.1 0, 0.0 -0.887 100.5 -67.3-141.9 171.5 103.8 35.3 83.8 46 48 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.120 49.9 167.7 -61.3 156.7 106.0 36.0 87.0 47 49 A S + 0 0 42 -4,-0.1 -4,-0.0 1,-0.1 63,-0.0 -0.904 24.3 164.5-170.8 140.8 105.4 38.9 89.3 48 50 A M S > S+ 0 0 108 -2,-0.3 4,-2.0 3,-0.1 5,-0.2 0.626 87.9 35.4-121.4 -58.7 106.4 40.3 92.7 49 51 A R H > S+ 0 0 56 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.930 119.7 48.7 -65.7 -47.4 105.4 43.9 92.9 50 52 A T H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.939 115.0 42.4 -62.1 -49.2 102.3 43.6 90.8 51 53 A R H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.945 119.8 44.7 -62.3 -47.4 100.8 40.7 92.7 52 54 A T H X S+ 0 0 61 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.940 114.9 45.9 -63.1 -49.6 101.7 42.1 96.1 53 55 A S H X S+ 0 0 13 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.909 116.2 44.7 -63.6 -43.4 100.6 45.7 95.4 54 56 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.940 114.1 50.0 -66.1 -44.8 97.2 44.7 93.9 55 57 A E H X S+ 0 0 76 -4,-2.3 4,-1.9 -5,-0.3 10,-0.2 0.936 115.7 41.7 -59.9 -46.2 96.6 42.1 96.6 56 58 A L H X S+ 0 0 78 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.873 111.8 56.9 -69.2 -35.6 97.3 44.6 99.4 57 59 A G H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.3 6,-0.2 0.923 107.3 47.2 -60.8 -45.6 95.4 47.4 97.5 58 60 A A H <>S+ 0 0 1 -4,-2.6 5,-2.9 1,-0.2 3,-0.5 0.930 113.4 49.8 -60.8 -45.6 92.3 45.3 97.5 59 61 A F H ><5S+ 0 0 144 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.911 108.1 51.9 -59.0 -46.1 92.7 44.5 101.2 60 62 A Q H 3<5S+ 0 0 16 -4,-2.8 -29,-2.5 1,-0.3 -1,-0.2 0.725 108.9 50.8 -67.3 -21.6 93.2 48.1 102.2 61 63 A L T 3<5S- 0 0 0 -4,-1.2 -27,-2.2 -3,-0.5 -1,-0.3 0.201 124.8-100.1-100.2 14.6 90.1 49.2 100.4 62 64 A G T < 5S+ 0 0 36 -3,-1.6 -26,-2.1 1,-0.2 -3,-0.2 0.538 89.2 104.0 83.0 7.4 88.0 46.5 102.1 63 65 A G < - 0 0 13 -5,-2.9 2,-0.3 -28,-0.2 -25,-0.2 -0.220 62.5-120.1-105.4-162.9 87.9 44.0 99.2 64 66 A H E -b 38 0A 124 -27,-1.5 -25,-1.9 -30,-0.1 2,-0.4 -0.994 10.4-146.5-146.7 136.9 89.7 40.8 98.4 65 67 A A E -b 39 0A 10 -2,-0.3 2,-0.6 -10,-0.2 -25,-0.2 -0.870 6.0-155.5-105.5 136.0 92.0 39.6 95.5 66 68 A V E -b 40 0A 59 -27,-2.5 -25,-2.8 -2,-0.4 2,-0.6 -0.949 15.0-147.1-109.2 119.1 91.9 36.1 94.2 67 69 A V E -b 41 0A 30 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.787 19.3-177.1 -93.3 124.7 95.3 35.2 92.5 68 70 A L E -b 42 0A 47 -27,-2.8 -25,-3.0 -2,-0.6 -2,-0.0 -0.949 16.4-171.4-124.1 142.1 95.1 32.9 89.5 69 71 A Q >>> - 0 0 73 -2,-0.4 3,-2.6 -27,-0.2 4,-2.0 -0.778 19.8-144.7-133.4 88.1 97.8 31.3 87.4 70 72 A P B 345S+e 74 0B 18 0, 0.0 5,-0.2 0, 0.0 7,-0.0 -0.234 89.7 23.2 -52.1 133.2 96.5 29.5 84.3 71 73 A G T 345S+ 0 0 56 3,-2.5 4,-0.1 1,-0.1 -27,-0.1 0.147 126.0 55.5 94.4 -21.0 98.7 26.4 83.6 72 74 A K T <45S- 0 0 172 -3,-2.6 -1,-0.1 2,-0.2 3,-0.0 0.794 136.1 -19.1-105.2 -66.9 99.8 26.4 87.2 73 75 A D T <5S+ 0 0 96 -4,-2.0 2,-0.1 2,-0.1 -5,-0.1 0.757 128.8 58.0-110.6 -45.8 96.6 26.2 89.3 74 76 A A B S- 0 0 76 1,-0.1 3,-0.5 2,-0.0 2,-0.2 -0.372 72.8-119.8 -64.2 141.8 91.5 32.0 69.1 81 83 A L T 3 S+ 0 0 109 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.580 79.8 3.0 -89.1 146.9 88.0 32.0 67.8 82 84 A G T 3 S+ 0 0 88 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.652 90.5 138.2 58.7 21.5 86.1 29.1 66.1 83 85 A T < - 0 0 84 -3,-0.5 2,-0.7 1,-0.0 -1,-0.2 -0.578 61.7-106.3 -96.0 160.0 89.0 26.6 66.5 84 86 A V - 0 0 106 -2,-0.2 2,-2.0 1,-0.1 3,-0.1 -0.764 29.0-142.6 -85.7 113.6 88.7 22.9 67.5 85 87 A M + 0 0 68 -2,-0.7 -1,-0.1 1,-0.2 -7,-0.0 -0.463 59.7 123.1 -80.6 73.2 90.0 22.6 71.1 86 88 A D + 0 0 132 -2,-2.0 -1,-0.2 0, 0.0 4,-0.1 0.049 59.4 74.7-115.6 21.4 91.9 19.3 70.9 87 89 A G S S- 0 0 51 2,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.189 106.9 -54.2-106.7-135.9 95.2 20.7 72.0 88 90 A D S S+ 0 0 155 -11,-0.0 2,-0.3 2,-0.0 -3,-0.1 0.717 103.7 90.6 -83.8 -23.1 96.7 21.9 75.3 89 91 A T - 0 0 27 1,-0.1 -2,-0.3 -14,-0.1 -12,-0.2 -0.611 53.5-168.1 -80.9 132.6 94.0 24.4 76.2 90 92 A E + 0 0 126 -14,-1.2 2,-0.3 -2,-0.3 -13,-0.2 0.778 66.8 15.3 -88.6 -34.1 91.1 23.1 78.3 91 93 A E E S-f 77 0C 70 -15,-1.5 -13,-2.9 4,-0.0 2,-0.3 -0.954 73.8-109.6-141.8 163.7 88.6 26.1 78.1 92 94 A H E >> -f 78 0C 25 -2,-0.3 4,-2.3 -15,-0.2 3,-1.2 -0.682 23.8-123.8 -96.3 145.7 87.9 29.2 76.0 93 95 A I H 3> S+ 0 0 0 -15,-2.7 4,-3.0 -2,-0.3 5,-0.4 0.795 109.4 69.6 -54.8 -28.5 88.3 32.8 77.2 94 96 A A H 3> S+ 0 0 11 -16,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.931 109.3 33.1 -56.1 -46.2 84.6 33.3 76.3 95 97 A E H <> S+ 0 0 95 -3,-1.2 4,-2.8 2,-0.2 5,-0.3 0.902 117.6 55.1 -76.5 -43.0 83.7 31.0 79.2 96 98 A V H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.936 111.0 43.0 -56.3 -51.8 86.5 32.1 81.5 97 99 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.876 115.6 49.2 -64.2 -39.3 85.7 35.8 81.3 98 100 A R H < S+ 0 0 130 -4,-1.1 4,-0.3 -5,-0.4 -1,-0.2 0.893 112.6 47.4 -68.3 -40.2 82.0 35.2 81.7 99 101 A V H >X S+ 0 0 65 -4,-2.8 3,-2.1 1,-0.2 4,-0.6 0.961 112.5 48.0 -66.3 -50.4 82.4 32.9 84.7 100 102 A L H >X S+ 0 0 20 -4,-2.6 4,-2.9 1,-0.3 3,-1.5 0.880 104.5 62.7 -56.9 -36.4 84.8 35.2 86.5 101 103 A G H 3< S+ 0 0 14 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.630 100.1 53.0 -64.3 -13.6 82.4 38.1 85.7 102 104 A R H <4 S+ 0 0 214 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.587 118.5 36.1 -93.9 -14.1 79.8 36.2 87.9 103 105 A Y H << S+ 0 0 171 -3,-1.5 -2,-0.2 -4,-0.6 2,-0.2 0.844 115.3 38.1-102.4 -52.7 82.3 36.0 90.8 104 106 A V < - 0 0 11 -4,-2.9 -65,-0.2 1,-0.1 3,-0.1 -0.525 58.6-139.8-105.7 170.9 84.4 39.2 90.9 105 107 A D S S+ 0 0 56 -67,-2.3 2,-0.3 1,-0.2 -66,-0.2 0.594 88.7 23.0-101.3 -16.7 83.9 42.9 90.3 106 108 A L E -c 39 0A 2 -68,-1.0 -66,-2.5 30,-0.1 2,-0.4 -0.987 63.1-152.8-148.7 151.2 87.2 43.5 88.5 107 109 A I E -cd 40 138A 0 30,-2.2 32,-2.9 -2,-0.3 2,-0.4 -0.986 7.4-168.0-132.0 123.1 89.7 41.4 86.5 108 110 A G E -cd 41 139A 0 -68,-3.1 -66,-2.9 -2,-0.4 2,-0.4 -0.845 10.0-166.1-105.5 146.0 93.4 42.2 86.1 109 111 A V E -cd 42 140A 0 30,-2.6 32,-3.0 -2,-0.4 2,-0.5 -0.992 14.5-172.9-140.7 133.7 95.5 40.4 83.5 110 112 A R E +c 43 0A 22 -68,-2.4 -66,-2.5 -2,-0.4 -65,-0.3 -0.991 19.7 155.5-121.2 123.3 99.2 40.0 83.0 111 113 A A - 0 0 11 31,-1.9 16,-0.2 -2,-0.5 15,-0.1 -0.810 25.2-153.2-154.7 106.7 100.3 38.3 79.8 112 114 A F - 0 0 57 -2,-0.3 32,-0.1 1,-0.1 31,-0.1 -0.331 35.2 -91.9 -75.5 159.2 103.7 38.8 78.1 113 115 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.248 28.5-124.2 -66.5 163.9 104.2 38.3 74.4 114 116 A K - 0 0 168 3,-0.2 4,-0.1 -3,-0.1 -2,-0.0 0.606 29.8-138.0 -83.7 -14.5 105.3 34.8 73.3 115 117 A F S S+ 0 0 49 2,-0.1 144,-1.1 1,-0.1 3,-0.2 0.639 78.5 102.0 65.6 16.8 108.4 36.3 71.4 116 118 A V S S+ 0 0 105 1,-0.3 2,-0.2 142,-0.1 -1,-0.1 0.760 95.1 2.8 -97.0 -31.4 107.8 34.0 68.5 117 119 A D >> - 0 0 70 1,-0.1 4,-2.2 142,-0.0 3,-1.7 -0.762 54.4-159.0-160.6 106.6 106.2 36.5 66.1 118 120 A W H 3> S+ 0 0 20 1,-0.3 4,-2.8 137,-0.2 5,-0.2 0.780 91.9 71.5 -57.6 -27.7 105.7 40.2 66.9 119 121 A S H 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.844 110.3 31.2 -58.3 -33.6 103.0 40.3 64.3 120 122 A K H X4 S+ 0 0 155 -3,-1.7 3,-1.2 2,-0.1 5,-0.5 0.843 117.0 55.0 -93.0 -38.4 100.8 38.3 66.6 121 123 A D H >< S+ 0 0 19 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.904 101.4 59.8 -61.5 -41.0 102.1 39.6 70.0 122 124 A R T 3< S+ 0 0 74 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.623 88.6 73.6 -64.6 -12.2 101.4 43.2 69.0 123 125 A E T < S- 0 0 91 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.672 94.2-140.3 -76.2 -15.0 97.7 42.4 68.6 124 126 A D <> + 0 0 16 -3,-1.9 4,-2.4 -4,-0.3 5,-0.2 0.913 35.5 169.9 57.9 45.4 97.4 42.2 72.3 125 127 A Q H > + 0 0 71 -5,-0.5 4,-2.3 2,-0.2 5,-0.2 0.878 66.4 49.9 -57.2 -48.4 95.0 39.2 72.0 126 128 A V H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.966 115.4 42.5 -58.6 -53.5 94.8 38.1 75.6 127 129 A L H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 115.8 48.3 -59.9 -46.9 94.0 41.6 77.0 128 130 A K H X S+ 0 0 98 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.861 109.9 53.5 -62.9 -36.4 91.5 42.4 74.2 129 131 A S H X S+ 0 0 14 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.908 108.8 47.9 -66.4 -42.4 89.8 39.1 74.7 130 132 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.945 113.8 47.5 -63.1 -45.5 89.3 39.6 78.4 131 133 A A H < S+ 0 0 18 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.841 113.5 49.8 -63.7 -33.7 87.9 43.1 77.7 132 134 A K H < S+ 0 0 138 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.955 122.0 29.2 -69.8 -51.5 85.7 41.8 75.0 133 135 A Y H < S+ 0 0 32 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.649 96.5 98.9 -87.7 -17.2 84.1 38.9 76.9 134 136 A S < - 0 0 6 -4,-2.6 -36,-0.1 -5,-0.3 4,-0.1 -0.557 54.2-159.1 -78.2 131.1 84.2 40.3 80.5 135 137 A P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.491 80.3 59.1 -83.1 -2.3 81.0 41.8 81.9 136 138 A V S S- 0 0 20 -39,-0.2 -30,-0.1 1,-0.1 -2,-0.1 -0.873 104.3 -75.2-123.5 158.2 83.2 43.7 84.5 137 139 A P - 0 0 16 0, 0.0 -30,-2.2 0, 0.0 2,-0.4 -0.174 43.9-145.8 -54.4 140.4 86.1 46.2 84.1 138 140 A V E - d 0 107A 0 -32,-0.2 -134,-2.8 -4,-0.1 2,-0.4 -0.885 6.8-156.0-111.5 140.6 89.5 44.8 83.0 139 141 A I E -ad 4 108A 0 -32,-2.9 -30,-2.6 -2,-0.4 2,-0.6 -0.973 16.7-129.8-122.1 128.5 92.9 46.1 84.1 140 142 A N E + d 0 109A 0 -136,-2.6 8,-0.5 -2,-0.4 -30,-0.2 -0.642 22.6 179.3 -76.7 113.9 96.1 45.7 82.2 141 143 A M S S- 0 0 0 -32,-3.0 -31,-0.2 -2,-0.6 -1,-0.1 0.134 73.2 -52.4-101.4 17.7 98.8 44.3 84.7 142 144 A E S S+ 0 0 17 -33,-0.3 -31,-1.9 3,-0.1 4,-0.2 0.474 74.9 143.3 109.5 114.9 101.2 44.3 81.8 143 145 A T S S- 0 0 1 2,-2.1 42,-0.3 -33,-0.2 3,-0.1 0.278 90.7 -25.9-130.9 -93.0 101.0 42.8 78.3 144 146 A I S S+ 0 0 5 -32,-0.1 2,-0.3 41,-0.1 44,-0.2 0.388 141.2 34.4-108.5 -0.2 102.6 44.9 75.5 145 147 A T - 0 0 1 43,-0.1 -2,-2.1 -140,-0.1 41,-0.2 -0.907 69.5-149.1-140.8 163.6 102.1 48.1 77.5 146 148 A H >> + 0 0 4 39,-0.6 4,-1.6 -2,-0.3 3,-0.7 -0.574 23.5 167.4-139.8 70.3 102.3 48.6 81.3 147 149 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.751 75.4 58.0 -57.9 -31.6 99.9 51.5 82.1 148 150 A C H 3> S+ 0 0 0 -8,-0.5 4,-1.6 1,-0.2 5,-0.1 0.874 107.8 49.2 -68.8 -33.3 99.9 50.9 85.9 149 151 A Q H <> S+ 0 0 6 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.876 105.1 59.2 -70.2 -37.1 103.6 51.4 85.7 150 152 A E H X S+ 0 0 3 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.922 109.3 42.3 -56.6 -47.2 103.2 54.6 83.7 151 153 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.836 112.8 51.6 -72.0 -33.1 101.1 56.3 86.4 152 154 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.923 114.7 45.7 -66.7 -41.5 103.3 55.1 89.3 153 155 A H H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.939 112.8 48.4 -64.4 -52.4 106.2 56.6 87.3 154 156 A A H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.917 111.6 50.0 -57.1 -46.3 104.5 59.8 86.5 155 157 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.923 108.1 53.2 -59.9 -44.1 103.4 60.3 90.1 156 158 A A H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.874 110.6 48.3 -59.0 -37.2 106.9 59.7 91.4 157 159 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.927 110.4 49.4 -69.7 -44.1 108.1 62.4 89.0 158 160 A Q H X>S+ 0 0 20 -4,-2.6 5,-1.7 1,-0.2 4,-0.5 0.870 112.9 49.1 -62.7 -34.7 105.4 64.9 90.1 159 161 A E H <5S+ 0 0 78 -4,-2.6 3,-0.4 -5,-0.2 -1,-0.2 0.914 111.1 49.3 -69.9 -43.0 106.4 64.2 93.7 160 162 A H H <5S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 117.9 38.5 -61.9 -47.1 110.1 64.6 93.0 161 163 A F H <5S- 0 0 52 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.459 107.2-125.6 -84.9 -1.2 109.7 68.0 91.1 162 164 A G T <5S+ 0 0 67 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.798 78.6 77.3 63.1 32.0 107.0 69.1 93.5 163 165 A T S + 0 0 0 -2,-0.9 3,-1.3 31,-0.4 -1,-0.1 0.392 29.0 132.7 -95.7 0.5 106.2 68.3 84.0 167 169 A R T 3 + 0 0 155 1,-0.2 2,-0.3 32,-0.1 32,-0.2 -0.193 67.2 28.0 -52.7 143.4 106.3 70.3 80.8 168 170 A G T 3 S+ 0 0 46 30,-0.9 -1,-0.2 1,-0.3 31,-0.1 -0.255 87.7 120.5 100.2 -46.8 109.8 71.6 80.0 169 171 A K < - 0 0 57 -3,-1.3 31,-2.6 -2,-0.3 2,-0.7 -0.179 66.4-120.9 -55.8 142.4 111.8 68.9 81.7 170 172 A K E -g 200 0D 99 73,-0.3 75,-2.9 29,-0.2 76,-1.9 -0.792 29.9-164.0 -90.2 114.7 114.1 66.8 79.5 171 173 A Y E -gh 201 246D 1 29,-2.3 31,-2.4 -2,-0.7 2,-0.6 -0.879 5.3-165.4-106.4 124.7 113.2 63.2 79.6 172 174 A V E -gh 202 247D 3 74,-2.9 76,-2.7 -2,-0.5 2,-0.9 -0.919 5.4-168.4-113.4 113.4 115.5 60.4 78.4 173 175 A L E -gh 203 248D 0 29,-2.4 31,-2.0 -2,-0.6 2,-0.4 -0.865 21.9-172.2 -97.5 103.8 114.2 56.9 77.8 174 176 A T E -gh 204 249D 1 74,-1.8 76,-1.7 -2,-0.9 31,-0.2 -0.827 21.6-132.0-107.2 140.4 117.3 54.9 77.4 175 177 A W E - h 0 250D 0 29,-2.2 2,-0.3 -2,-0.4 76,-0.3 -0.463 29.7-167.9 -76.4 153.4 117.7 51.3 76.4 176 178 A T - 0 0 0 74,-0.8 76,-0.3 -2,-0.1 124,-0.1 -0.928 22.2 -86.9-141.0 166.9 120.0 49.2 78.6 177 179 A Y + 0 0 25 122,-0.5 74,-0.1 -2,-0.3 122,-0.1 -0.337 39.4 161.9 -78.9 156.8 121.7 45.8 78.5 178 180 A H - 0 0 13 -2,-0.1 4,-0.1 74,-0.1 74,-0.1 -0.884 45.6-120.3-167.0 137.9 120.4 42.3 79.5 179 181 A P S S+ 0 0 62 0, 0.0 90,-0.1 0, 0.0 89,-0.1 0.718 99.1 46.6 -59.3 -18.4 121.7 38.9 78.6 180 182 A K S S- 0 0 135 88,-0.1 2,-0.4 -3,-0.0 71,-0.0 -0.892 92.6-104.4-126.4 155.0 118.2 38.1 77.1 181 183 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 71,-0.0 -0.631 46.4-162.5 -77.1 128.1 115.8 40.0 74.8 182 184 A L - 0 0 40 -2,-0.4 71,-2.5 1,-0.1 -4,-0.0 -0.573 24.5 -77.4-111.3 174.3 112.9 41.4 76.7 183 185 A N - 0 0 9 69,-0.2 3,-0.2 -2,-0.2 4,-0.2 -0.299 27.6-145.1 -63.1 145.5 109.4 42.7 76.3 184 186 A T S >> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.1 3,-0.6 0.511 72.5 106.5 -91.5 -5.8 109.1 46.3 74.9 185 187 A A H 3> S+ 0 0 0 -42,-0.3 4,-2.3 1,-0.3 -39,-0.6 0.835 78.4 43.6 -38.4 -57.7 106.0 46.9 77.1 186 188 A V H 3> S+ 0 0 3 -3,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.873 115.5 49.8 -63.8 -35.2 107.6 49.2 79.7 187 189 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.2 -2,-0.2 0.896 110.0 50.1 -69.3 -40.1 109.5 51.1 77.0 188 190 A N H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.909 114.1 46.8 -63.0 -40.5 106.3 51.6 75.0 189 191 A S H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.887 109.9 51.1 -68.7 -41.7 104.6 52.8 78.2 190 192 A A H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.938 111.3 48.7 -62.2 -46.1 107.4 55.2 79.2 191 193 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.889 113.3 49.3 -59.7 -40.4 107.4 56.8 75.8 192 194 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.935 116.7 36.7 -66.0 -51.7 103.6 57.1 75.9 193 195 A I H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.861 112.0 58.6 -73.6 -36.0 103.2 58.7 79.3 194 196 A A H <>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.3 -1,-0.2 0.893 114.0 38.9 -60.2 -40.5 106.4 60.9 79.1 195 197 A T H ><5S+ 0 0 0 -4,-1.3 3,-1.9 -5,-0.3 34,-0.3 0.847 110.9 57.7 -77.9 -35.4 105.0 62.6 76.0 196 198 A R H 3<5S+ 0 0 32 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.810 104.9 53.6 -63.8 -29.1 101.4 62.7 77.3 197 199 A M T 3<5S- 0 0 1 -4,-1.9 -31,-0.4 -5,-0.1 -1,-0.3 0.372 119.8-115.7 -85.5 3.1 102.8 64.7 80.2 198 200 A G T < 5 + 0 0 2 -3,-1.9 -30,-0.9 1,-0.2 -3,-0.2 0.811 60.6 150.7 68.9 34.6 104.4 67.1 77.7 199 201 A M < - 0 0 1 -5,-2.0 31,-1.8 -32,-0.2 2,-1.3 -0.489 58.6-101.2 -94.2 166.6 108.1 66.5 78.4 200 202 A D E -gi 170 230D 35 -31,-2.6 -29,-2.3 29,-0.3 2,-0.3 -0.745 52.5-161.9 -87.2 94.3 111.0 66.8 76.0 201 203 A V E -gi 171 231D 1 29,-2.7 31,-0.9 -2,-1.3 2,-0.5 -0.628 19.4-174.4 -89.8 135.5 111.5 63.1 75.2 202 204 A T E -gi 172 232D 19 -31,-2.4 -29,-2.4 -2,-0.3 2,-1.1 -0.984 14.8-151.6-127.6 120.1 114.5 61.4 73.7 203 205 A L E -gi 173 233D 0 29,-3.6 31,-2.7 -2,-0.5 2,-0.6 -0.788 18.8-167.2 -92.6 98.1 114.5 57.7 72.9 204 206 A L E +gi 174 234D 0 -31,-2.0 -29,-2.2 -2,-1.1 31,-0.2 -0.780 21.2 148.8 -90.6 120.4 118.1 56.7 73.3 205 207 A C - 0 0 0 29,-2.6 6,-0.1 -2,-0.6 -2,-0.0 -0.977 53.2-108.4-147.7 158.5 118.9 53.3 71.8 206 208 A P S S- 0 0 7 0, 0.0 -1,-0.1 0, 0.0 31,-0.0 0.946 90.9 -6.6 -51.8 -63.1 121.8 51.5 70.2 207 209 A T S > S- 0 0 29 1,-0.0 3,-2.9 27,-0.0 4,-0.2 -0.887 75.6 -95.5-136.0 166.1 120.6 51.2 66.5 208 210 A P G > S+ 0 0 84 0, 0.0 3,-1.4 0, 0.0 -1,-0.0 0.725 117.5 71.9 -52.7 -21.6 117.5 52.0 64.4 209 211 A D G 3 S+ 0 0 69 1,-0.3 46,-0.4 45,-0.1 48,-0.2 0.703 92.7 55.9 -68.0 -19.4 116.7 48.3 64.9 210 212 A Y G < S+ 0 0 1 -3,-2.9 -1,-0.3 44,-0.2 2,-0.1 0.335 77.0 121.6 -95.9 6.6 115.8 49.0 68.5 211 213 A I < - 0 0 54 -3,-1.4 44,-0.3 -4,-0.2 3,-0.1 -0.431 68.6-107.7 -67.8 144.8 113.3 51.7 67.7 212 214 A L - 0 0 7 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 -0.148 46.9 -67.9 -71.8 168.4 109.9 50.9 69.2 213 215 A D >> - 0 0 16 1,-0.1 4,-1.8 3,-0.1 3,-1.0 -0.202 44.9-117.8 -55.6 144.7 106.8 49.8 67.2 214 216 A E H 3> S+ 0 0 150 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.840 110.7 69.5 -53.6 -35.9 105.3 52.5 65.0 215 217 A R H 3> S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.903 107.6 35.2 -49.9 -46.6 102.1 52.3 67.0 216 218 A Y H <> S+ 0 0 1 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.802 112.7 57.1 -81.8 -30.4 103.8 53.9 70.0 217 219 A M H X S+ 0 0 29 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.894 112.4 45.7 -65.4 -35.3 106.1 56.2 68.1 218 220 A D H X S+ 0 0 83 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.866 108.6 53.1 -74.2 -38.3 102.8 57.6 66.6 219 221 A W H X S+ 0 0 48 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.937 110.7 50.0 -60.2 -43.6 101.1 57.8 70.0 220 222 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.881 108.1 52.1 -61.1 -41.2 104.0 59.8 71.1 221 223 A A H X S+ 0 0 51 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.917 112.5 44.8 -62.5 -44.5 103.9 62.1 68.1 222 224 A Q H < S+ 0 0 99 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.851 112.3 52.7 -68.7 -35.1 100.2 62.8 68.7 223 225 A N H >X S+ 0 0 4 -4,-2.3 4,-1.9 -5,-0.2 3,-1.0 0.905 109.8 48.5 -66.5 -42.6 100.8 63.3 72.4 224 226 A V H 3X S+ 0 0 24 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.940 106.6 55.0 -62.3 -49.1 103.6 65.8 71.8 225 227 A A H 3< S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.534 119.3 35.7 -63.9 -5.0 101.5 67.8 69.3 226 228 A E H <4 S+ 0 0 150 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.573 120.9 43.1-120.9 -19.9 98.9 68.1 72.1 227 229 A S H < S- 0 0 20 -4,-1.9 -3,-0.2 -3,-0.3 -2,-0.2 0.685 101.9-119.8-100.3 -24.4 101.0 68.4 75.2 228 230 A G S < S+ 0 0 63 -4,-2.7 -4,-0.1 -5,-0.2 -3,-0.1 0.383 75.3 112.5 99.8 -3.5 103.6 70.8 74.0 229 231 A G - 0 0 12 -34,-0.3 2,-0.3 -5,-0.3 -29,-0.3 0.334 58.2-123.0 -78.6-146.6 106.6 68.5 74.5 230 232 A S E -i 200 0D 48 -31,-1.8 -29,-2.7 -3,-0.0 2,-0.4 -0.975 6.9-141.1-164.0 151.6 108.8 67.0 71.8 231 233 A L E +i 201 0D 53 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.926 21.9 167.7-121.0 145.1 110.0 63.6 70.6 232 234 A Q E -i 202 0D 111 -31,-0.9 -29,-3.6 -2,-0.4 2,-0.4 -0.975 24.7-142.4-157.3 138.3 113.5 62.6 69.4 233 235 A V E -i 203 0D 54 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.881 27.5-179.5-104.1 134.0 115.3 59.3 68.6 234 236 A S E -i 204 0D 13 -31,-2.7 -29,-2.6 -2,-0.4 3,-0.0 -0.947 31.9-176.9-135.4 155.3 119.0 59.2 69.4 235 237 A H + 0 0 79 -2,-0.3 2,-0.6 -31,-0.2 -31,-0.1 0.238 67.1 90.9-128.4 5.3 121.9 56.7 69.2 236 238 A D > - 0 0 89 1,-0.2 4,-1.7 2,-0.0 5,-0.1 -0.922 58.8-160.9-110.6 113.2 124.5 58.9 70.9 237 239 A I H >> S+ 0 0 15 -2,-0.6 4,-2.2 1,-0.2 3,-0.7 0.971 84.2 45.3 -52.5 -73.9 124.8 58.4 74.7 238 240 A D H 3> S+ 0 0 69 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.805 113.3 50.2 -43.9 -43.8 126.5 61.6 75.9 239 241 A S H 34 S+ 0 0 66 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.902 111.6 49.7 -66.3 -38.8 124.4 63.9 73.8 240 242 A A H << S+ 0 0 10 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.951 112.5 44.7 -64.2 -51.8 121.2 62.3 75.0 241 243 A Y H >< S+ 0 0 0 -4,-2.2 3,-2.7 -5,-0.1 44,-0.2 0.830 85.1 113.9 -63.0 -35.3 122.1 62.5 78.8 242 244 A A T 3< S- 0 0 61 -4,-1.8 42,-0.3 -5,-0.3 41,-0.1 -0.127 95.3 -8.3 -45.0 118.3 123.4 66.1 78.6 243 245 A G T 3 S+ 0 0 36 40,-2.3 -73,-0.3 1,-0.2 -1,-0.3 0.563 93.0 158.9 70.2 9.7 121.1 68.3 80.7 244 246 A A < - 0 0 1 -3,-2.7 41,-2.0 39,-0.2 43,-0.3 -0.306 32.5-164.1 -66.7 148.8 118.5 65.6 81.2 245 247 A D S S+ 0 0 21 -75,-2.9 43,-2.3 1,-0.3 2,-0.4 0.656 78.3 25.6-102.2 -26.3 116.1 66.0 84.1 246 248 A V E -hj 171 288D 0 -76,-1.9 -74,-2.9 41,-0.3 2,-0.4 -1.000 60.0-169.4-142.5 138.5 114.9 62.3 84.1 247 249 A V E -hj 172 289D 0 41,-2.5 43,-1.8 -2,-0.4 2,-0.5 -0.976 7.3-178.3-130.3 117.0 116.6 59.1 82.9 248 250 A Y E -hj 173 290D 4 -76,-2.7 -74,-1.8 -2,-0.4 2,-0.3 -0.965 10.9-160.7-119.0 117.1 114.5 56.0 82.7 249 251 A A E +h 174 0D 1 41,-1.7 43,-0.5 -2,-0.5 2,-0.3 -0.682 17.9 158.8 -99.8 151.9 116.2 52.8 81.6 250 252 A K E -h 175 0D 11 -76,-1.7 -74,-0.8 -2,-0.3 2,-0.3 -0.903 27.4-137.6-167.0 139.4 114.7 49.6 80.2 251 253 A S + 0 0 0 -2,-0.3 2,-0.3 -76,-0.3 -65,-0.1 -0.781 28.5 162.7-103.0 148.9 116.0 46.7 78.1 252 254 A W - 0 0 0 -76,-0.3 -69,-0.2 -2,-0.3 2,-0.2 -0.974 38.6-103.4-162.4 149.1 114.1 45.1 75.2 253 255 A G - 0 0 0 -71,-2.5 2,-0.3 -2,-0.3 5,-0.1 -0.516 47.5 -98.5 -77.1 144.4 114.8 42.9 72.2 254 256 A A > - 0 0 0 -2,-0.2 3,-2.1 1,-0.1 -44,-0.2 -0.455 28.3-137.7 -64.0 123.4 114.9 44.5 68.8 255 257 A L G > S+ 0 0 21 -46,-0.4 3,-1.7 -44,-0.3 -137,-0.2 0.828 98.9 64.4 -52.0 -39.3 111.5 44.1 67.1 256 258 A P G 3 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -46,-0.1 0.649 101.2 54.0 -63.2 -10.9 113.0 43.2 63.7 257 259 A F G X S+ 0 0 31 -3,-2.1 3,-1.8 -48,-0.2 2,-0.2 0.103 73.6 140.7-110.2 21.9 114.5 40.1 65.3 258 260 A F T < S+ 0 0 25 -3,-1.7 -142,-0.1 1,-0.3 -139,-0.1 -0.451 78.2 10.8 -67.1 133.2 111.4 38.5 66.8 259 261 A G T 3 S+ 0 0 46 -144,-1.1 -1,-0.3 -2,-0.2 -143,-0.1 0.494 125.4 70.2 77.5 2.0 111.4 34.8 66.4 260 262 A N < + 0 0 86 -3,-1.8 4,-0.3 1,-0.1 -2,-0.1 -0.468 50.1 145.2-148.8 66.2 115.0 35.0 65.3 261 263 A W >> + 0 0 39 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.667 51.5 87.8 -81.3 -19.1 117.0 36.0 68.4 262 264 A E T 34 S+ 0 0 132 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.916 96.1 38.4 -45.2 -55.5 120.1 34.0 67.4 263 265 A P T 3> S+ 0 0 49 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.695 110.8 60.7 -72.4 -19.3 121.6 36.9 65.3 264 266 A E H <> S+ 0 0 1 -3,-0.6 4,-2.3 -4,-0.3 3,-0.4 0.784 88.1 73.9 -78.4 -26.7 120.4 39.6 67.8 265 267 A K H X S+ 0 0 104 -4,-1.8 4,-2.2 -3,-0.5 -1,-0.2 0.936 98.1 44.3 -51.8 -54.6 122.5 38.1 70.7 266 268 A P H 4 S+ 0 0 77 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.780 111.6 57.6 -63.7 -23.9 125.8 39.3 69.3 267 269 A I H >< S+ 0 0 38 -4,-0.5 3,-0.8 -3,-0.4 -2,-0.2 0.938 110.0 39.0 -72.1 -49.5 124.2 42.7 68.5 268 270 A R H >< S+ 0 0 2 -4,-2.3 3,-2.6 1,-0.2 -1,-0.2 0.913 108.5 65.5 -66.9 -40.3 123.1 43.5 72.0 269 271 A D G >< S+ 0 0 69 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 0.663 95.5 57.2 -56.0 -20.0 126.3 42.1 73.5 270 272 A Q G < S+ 0 0 121 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.358 102.6 56.7 -94.3 6.4 128.3 44.8 71.8 271 273 A Y G X + 0 0 42 -3,-2.6 3,-1.7 1,-0.1 -1,-0.2 -0.065 59.8 122.5-125.2 32.6 126.3 47.5 73.6 272 274 A Q G X + 0 0 104 -3,-0.5 3,-1.2 1,-0.3 -95,-0.2 0.688 64.3 76.0 -66.7 -16.2 126.8 46.6 77.2 273 275 A H G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.508 70.0 83.8 -73.8 -4.0 128.2 50.1 77.7 274 276 A F G < + 0 0 5 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.1 0.465 64.1 127.9 -76.8 1.0 124.7 51.4 77.6 275 277 A I S < S- 0 0 26 -3,-1.2 2,-0.9 1,-0.1 26,-0.2 -0.289 70.6-114.0 -57.4 138.9 124.6 50.6 81.3 276 278 A V B +l 301 0E 0 24,-2.3 26,-2.1 4,-0.1 29,-0.2 -0.701 53.1 158.4 -82.6 109.3 123.5 53.5 83.4 277 279 A D > - 0 0 38 -2,-0.9 4,-2.0 24,-0.2 5,-0.2 -0.603 57.1 -88.3-121.0-178.0 126.5 54.5 85.5 278 280 A E H > S+ 0 0 136 1,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.883 119.8 61.2 -60.3 -39.7 127.8 57.5 87.4 279 281 A R H 4 S+ 0 0 117 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.929 109.1 39.7 -53.8 -52.4 129.6 58.9 84.4 280 282 A K H >4 S+ 0 0 6 1,-0.2 3,-1.7 2,-0.2 4,-0.4 0.917 113.6 53.3 -66.0 -44.8 126.4 59.2 82.3 281 283 A M H >< S+ 0 0 27 -4,-2.0 3,-0.7 1,-0.3 6,-0.3 0.726 100.9 63.0 -64.0 -20.5 124.2 60.5 85.2 282 284 A A T 3< S+ 0 0 81 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.680 94.1 61.7 -77.0 -17.1 126.9 63.2 85.8 283 285 A L T < S+ 0 0 60 -3,-1.7 -40,-2.3 -4,-0.4 -1,-0.2 0.586 92.4 88.2 -82.7 -11.4 126.1 64.6 82.3 284 286 A T S < S- 0 0 14 -3,-0.7 2,-1.9 -4,-0.4 -39,-0.1 -0.362 96.2-100.4 -85.2 166.2 122.5 65.3 83.4 285 287 A N S S- 0 0 103 -41,-2.0 3,-0.1 -44,-0.2 -1,-0.1 -0.470 84.8 -65.2 -84.2 66.1 121.1 68.4 85.1 286 288 A N S S- 0 0 130 -2,-1.9 -1,-0.2 -5,-0.2 -4,-0.1 0.905 92.5-179.9 51.7 40.9 121.1 66.7 88.5 287 289 A G - 0 0 3 -43,-0.3 -41,-0.3 -6,-0.3 2,-0.2 -0.237 26.2-114.4 -74.9 161.3 118.5 64.4 87.0 288 290 A V E -j 246 0D 0 -43,-2.3 -41,-2.5 -3,-0.1 2,-0.4 -0.605 22.6-150.3 -94.3 154.7 116.7 61.5 88.5 289 291 A F E +jk 247 311D 2 21,-2.2 23,-2.4 -2,-0.2 24,-0.5 -0.957 19.8 164.2-125.6 144.5 117.0 57.9 87.5 290 292 A S E -j 248 0D 1 -43,-1.8 -41,-1.7 -2,-0.4 2,-0.3 -0.981 16.9-167.6-154.5 162.7 114.5 55.1 87.7 291 293 A H - 0 0 1 -2,-0.3 -41,-0.1 -43,-0.2 4,-0.1 -0.968 31.4-124.3-149.5 147.8 113.7 51.6 86.4 292 294 A C - 0 0 9 -43,-0.5 3,-0.1 -2,-0.3 -42,-0.1 0.740 66.5-117.9 -67.7 -23.7 110.5 49.6 86.6 293 295 A L S S+ 0 0 28 1,-0.2 2,-0.1 -244,-0.0 -1,-0.0 0.313 90.3 106.2 70.4 152.4 112.3 46.7 88.3 294 296 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.434 65.3-174.6 -67.4 140.2 113.3 43.8 88.6 295 297 A L - 0 0 30 -2,-0.1 2,-0.8 -3,-0.1 -4,-0.0 -0.933 26.2-139.5-119.0 133.0 116.7 45.2 87.9 296 298 A R >>> - 0 0 128 -2,-0.4 4,-2.5 2,-0.0 3,-1.3 -0.779 30.2-132.8 -87.6 108.8 120.0 43.3 87.4 297 299 A R B 345S+m 301 0E 109 -2,-0.8 5,-0.2 1,-0.2 6,-0.0 -0.332 86.0 15.7 -64.7 142.9 122.7 45.3 89.2 298 300 A N T 345S+ 0 0 96 3,-3.0 -1,-0.2 -22,-0.1 4,-0.2 0.629 125.4 62.4 68.3 15.4 126.0 46.0 87.4 299 301 A V T <45S+ 0 0 41 -3,-1.3 -122,-0.5 2,-0.7 -2,-0.2 0.544 117.9 15.3-129.2 -55.6 124.2 45.0 84.1 300 302 A X T <5S- 0 0 13 -4,-2.5 -24,-2.3 1,-0.4 2,-0.3 0.831 142.0 -2.2 -91.2 -40.0 121.4 47.5 83.6 301 303 A A B - 0 0 29 -26,-2.1 4,-2.4 -2,-0.3 5,-0.2 -0.403 29.6-111.8 -82.3 160.6 125.6 50.2 88.5 303 305 A D H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.893 118.7 55.8 -55.6 -41.9 125.4 49.8 92.3 304 306 A A H 4 S+ 0 0 38 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.902 108.7 46.1 -59.3 -43.5 126.4 53.4 92.7 305 307 A V H >4 S+ 0 0 6 -29,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.927 112.2 50.6 -65.9 -44.8 123.6 54.6 90.5 306 308 A M H 3< S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.826 114.9 42.8 -63.3 -33.4 121.0 52.4 92.3 307 309 A D T 3< S+ 0 0 112 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.362 90.4 117.6 -94.9 5.4 122.1 53.6 95.7 308 310 A S S X S- 0 0 37 -3,-1.1 3,-1.9 -4,-0.3 -19,-0.1 -0.394 75.3-124.4 -71.2 147.0 122.3 57.2 94.5 309 311 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.641 111.8 62.8 -67.7 -9.0 120.0 59.7 96.2 310 312 A N T 3 S+ 0 0 36 -5,-0.1 -21,-2.2 -22,-0.1 2,-0.7 0.506 78.4 98.4 -91.3 -6.5 118.8 60.5 92.7 311 313 A C B < +k 289 0D 19 -3,-1.9 3,-0.3 -23,-0.2 -21,-0.2 -0.749 44.2 174.2 -84.7 115.5 117.5 57.0 92.1 312 314 A I >> + 0 0 11 -23,-2.4 4,-2.4 -2,-0.7 3,-0.6 0.220 41.5 115.7-106.2 14.9 113.7 57.1 92.8 313 315 A A H 3> S+ 0 0 1 -24,-0.5 4,-2.3 1,-0.3 -1,-0.2 0.821 75.7 52.4 -53.4 -36.1 113.0 53.5 91.7 314 316 A I H 3> S+ 0 0 123 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.881 110.3 48.4 -70.7 -34.5 111.9 52.5 95.2 315 317 A D H <> S+ 0 0 77 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.892 111.4 49.3 -70.2 -39.6 109.4 55.4 95.3 316 318 A E H X S+ 0 0 1 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.912 110.1 52.5 -64.4 -41.8 108.1 54.5 91.9 317 319 A A H >< S+ 0 0 24 -4,-2.3 3,-1.0 -5,-0.2 4,-0.5 0.914 109.0 49.2 -59.3 -45.3 107.7 50.9 93.1 318 320 A E H >X S+ 0 0 91 -4,-2.2 3,-1.8 1,-0.2 4,-0.8 0.923 103.1 61.7 -60.8 -43.8 105.7 52.1 96.1 319 321 A N H 3X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 5,-0.3 0.705 84.3 76.9 -58.5 -19.0 103.5 54.2 93.9 320 322 A R H S+ 0 0 24 -3,-1.8 4,-1.6 -4,-0.5 -1,-0.2 0.940 113.2 42.6 -63.0 -49.6 100.1 50.5 95.2 322 324 A H H X S+ 0 0 7 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.899 114.4 48.0 -66.7 -44.7 98.6 53.9 95.3 323 325 A V H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.887 111.4 51.7 -65.3 -38.7 97.9 54.3 91.5 324 326 A Q H X S+ 0 0 1 -4,-1.8 4,-2.8 -5,-0.3 5,-0.2 0.875 106.6 52.3 -67.4 -37.3 96.3 50.9 91.3 325 327 A K H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.913 109.7 50.6 -65.6 -37.8 94.0 51.6 94.2 326 328 A A H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.897 111.1 49.3 -64.4 -39.4 92.9 54.8 92.4 327 329 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.940 112.2 46.1 -65.5 -48.0 92.3 52.7 89.2 328 330 A M H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.905 112.3 51.2 -63.1 -41.2 90.2 50.1 90.9 329 331 A A H < S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.7 49.3 -62.7 -39.2 88.2 52.7 92.8 330 332 A A H < S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.815 111.6 48.6 -70.5 -31.3 87.5 54.5 89.5 331 333 A L H < 0 0 17 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.780 360.0 360.0 -82.2 -28.5 86.4 51.4 87.7 332 334 A V < 0 0 83 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.1 0.896 360.0 360.0 -79.2 360.0 84.0 50.1 90.3