==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JAN-11 2Y6F . COMPND 2 MOLECULE: ISOPENICILLIN N SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLA NIDULANS; . AUTHOR P.J.RUTLEDGE,I.J.CLIFTON,W.GE . 329 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 16.4 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 . 1 0.3 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 . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 1 1 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 1 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 4 A V 0 0 105 0, 0.0 236,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 149.9 -10.5 47.8 -3.1 2 5 A S - 0 0 72 234,-0.3 236,-2.0 1,-0.1 2,-0.3 -0.417 360.0 -90.6 -86.3 166.5 -10.4 46.2 -6.6 3 6 A K B -a 238 0A 142 234,-0.2 2,-0.2 -2,-0.1 236,-0.2 -0.586 39.0-122.1 -81.0 134.8 -8.6 42.9 -7.5 4 7 A A - 0 0 2 234,-3.1 2,-0.8 -2,-0.3 236,-0.3 -0.500 25.1-111.2 -76.7 144.4 -4.9 43.2 -8.7 5 8 A N + 0 0 101 -2,-0.2 33,-0.4 234,-0.1 31,-0.3 -0.693 49.4 160.9 -75.2 105.2 -4.0 41.7 -12.1 6 9 A V - 0 0 22 -2,-0.8 33,-0.2 31,-0.1 234,-0.0 -0.840 23.3-155.7-130.9 94.8 -1.9 38.7 -11.3 7 10 A P - 0 0 50 0, 0.0 33,-2.8 0, 0.0 2,-0.5 -0.330 14.5-126.3 -73.3 152.2 -1.6 36.2 -14.2 8 11 A K E -f 40 0B 120 31,-0.2 2,-0.5 33,-0.1 33,-0.2 -0.896 28.5-167.5 -91.6 118.8 -0.8 32.4 -13.8 9 12 A I E -f 41 0B 1 31,-3.0 33,-2.6 -2,-0.5 2,-0.8 -0.962 21.3-132.7-112.4 129.4 2.2 31.5 -16.1 10 13 A D E -f 42 0B 73 -2,-0.5 33,-0.2 31,-0.2 31,-0.1 -0.705 24.1-176.5 -80.1 110.1 3.1 27.8 -16.8 11 14 A V > + 0 0 0 31,-1.9 3,-1.8 -2,-0.8 4,-0.3 0.352 50.6 107.4 -92.4 3.7 6.9 27.9 -16.2 12 15 A S G > + 0 0 60 30,-0.4 3,-1.7 1,-0.3 4,-0.3 0.843 69.7 63.0 -55.6 -35.2 7.5 24.2 -17.2 13 16 A P G > S+ 0 0 38 0, 0.0 3,-1.3 0, 0.0 5,-0.4 0.758 89.7 70.2 -57.4 -24.1 9.2 25.1 -20.6 14 17 A L G < S+ 0 0 1 -3,-1.8 -2,-0.2 1,-0.3 141,-0.1 0.608 93.9 56.2 -69.9 -14.6 12.0 26.9 -18.6 15 18 A F G < S+ 0 0 108 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.1 0.532 107.9 53.4 -89.5 -9.7 13.3 23.4 -17.4 16 19 A G S < S- 0 0 31 -3,-1.3 6,-0.0 -4,-0.3 0, 0.0 -0.228 88.6 -97.4-117.9-159.4 13.7 22.0 -21.0 17 20 A D S S+ 0 0 150 -2,-0.1 2,-0.9 4,-0.0 -3,-0.1 0.035 73.5 114.8-119.2 19.9 15.3 22.6 -24.4 18 21 A D > - 0 0 93 -5,-0.4 4,-1.8 1,-0.2 -2,-0.1 -0.814 42.7-172.4 -96.3 95.5 12.5 24.1 -26.5 19 22 A Q H > S+ 0 0 109 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.887 80.1 49.3 -62.6 -42.9 13.9 27.7 -27.2 20 23 A A H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 110.0 51.7 -63.7 -41.9 10.8 29.2 -28.9 21 24 A A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 107.4 53.3 -59.8 -39.4 8.6 27.9 -26.1 22 25 A K H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.898 105.8 54.7 -63.3 -41.5 10.9 29.6 -23.5 23 26 A M H X S+ 0 0 114 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.887 104.8 53.0 -55.9 -40.9 10.6 32.9 -25.5 24 27 A R H X S+ 0 0 152 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.891 110.2 47.3 -62.2 -39.6 6.8 32.7 -25.2 25 28 A V H X S+ 0 0 5 -4,-1.9 4,-1.9 2,-0.2 3,-0.4 0.943 109.0 55.6 -64.0 -46.3 7.2 32.3 -21.3 26 29 A A H X S+ 0 0 2 -4,-2.6 4,-3.0 1,-0.3 -2,-0.2 0.895 103.9 54.0 -51.5 -44.0 9.7 35.3 -21.3 27 30 A Q H X S+ 0 0 118 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.865 107.5 50.0 -63.1 -40.6 7.1 37.6 -23.0 28 31 A Q H X S+ 0 0 73 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.891 110.1 49.9 -66.4 -36.4 4.6 36.7 -20.3 29 32 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 110.3 51.6 -63.3 -44.9 7.1 37.5 -17.5 30 33 A D H X S+ 0 0 18 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.930 109.8 49.2 -54.7 -51.6 7.9 40.9 -19.3 31 34 A A H X S+ 0 0 45 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.929 113.1 45.4 -57.5 -44.2 4.1 41.8 -19.4 32 35 A A H <>S+ 0 0 5 -4,-2.2 5,-2.5 1,-0.2 3,-0.4 0.900 111.9 52.8 -67.5 -36.9 3.6 41.1 -15.7 33 36 A S H <5S+ 0 0 6 -4,-2.3 230,-0.4 1,-0.2 -1,-0.2 0.842 111.5 45.7 -68.4 -32.8 6.8 43.0 -14.7 34 37 A R H <5S+ 0 0 148 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.655 118.5 45.3 -84.0 -13.5 5.7 46.1 -16.6 35 38 A D T <5S- 0 0 94 -4,-1.0 -3,-0.1 -3,-0.4 -2,-0.1 0.568 133.8 -22.6 -98.6-116.8 2.1 46.0 -15.2 36 39 A T T 5S- 0 0 12 -31,-0.3 -3,-0.2 2,-0.2 -4,-0.1 0.716 82.7-120.5 -71.9 -22.4 1.4 45.3 -11.5 37 40 A G S + 0 0 101 -2,-0.3 4,-1.4 1,-0.2 -1,-0.0 -0.674 36.4 169.7 -83.8 86.3 5.4 19.3 -3.6 48 51 A V H > S+ 0 0 16 -2,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.742 70.1 62.3 -74.1 -26.3 4.0 22.3 -1.7 49 52 A Q H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 106.6 44.9 -64.8 -39.4 1.5 20.3 0.3 50 53 A R H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.860 110.6 54.7 -69.0 -40.2 4.3 18.3 2.0 51 54 A L H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.918 110.5 47.2 -50.6 -50.7 6.3 21.6 2.6 52 55 A S H X S+ 0 0 27 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.949 113.2 47.7 -58.7 -46.4 3.2 23.0 4.4 53 56 A Q H X S+ 0 0 73 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.911 114.1 45.4 -64.7 -45.1 2.7 19.8 6.5 54 57 A K H X S+ 0 0 65 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.893 114.2 49.4 -64.6 -40.1 6.5 19.6 7.6 55 58 A T H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.922 111.3 49.5 -67.9 -43.9 6.5 23.3 8.4 56 59 A K H X S+ 0 0 115 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.912 107.4 54.3 -59.7 -41.6 3.3 23.0 10.5 57 60 A E H X S+ 0 0 96 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.923 113.4 44.4 -61.3 -40.7 4.8 20.0 12.4 58 61 A F H >X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 3,-0.9 0.958 113.6 45.8 -64.1 -57.9 7.8 22.1 13.3 59 62 A H H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 115.8 47.5 -60.5 -33.2 6.0 25.4 14.3 60 63 A M H 3< S+ 0 0 109 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.651 116.5 40.2 -88.9 -13.3 3.5 23.7 16.4 61 64 A S H << S+ 0 0 62 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.652 84.8 107.1-107.4 -17.4 5.8 21.4 18.4 62 65 A I < - 0 0 12 -4,-1.8 70,-0.0 -5,-0.1 -4,-0.0 -0.365 61.1-141.4 -67.1 138.1 8.8 23.7 19.1 63 66 A T > - 0 0 53 1,-0.1 4,-2.1 -2,-0.1 3,-0.1 -0.583 22.3-110.4-100.2 158.3 9.0 24.8 22.9 64 67 A P H > S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.875 119.4 56.4 -53.9 -35.9 9.8 28.2 24.5 65 68 A E H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.938 107.6 47.6 -61.3 -45.4 13.1 26.6 25.8 66 69 A E H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.868 107.6 57.1 -64.5 -38.3 14.2 25.6 22.2 67 70 A K H X S+ 0 0 30 -4,-2.1 4,-0.7 2,-0.2 20,-0.2 0.898 107.1 46.5 -63.1 -43.6 13.4 29.1 20.9 68 71 A W H >< S+ 0 0 136 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.921 111.8 53.4 -59.0 -44.7 15.8 30.9 23.4 69 72 A D H 3< S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.776 118.5 34.8 -63.3 -27.4 18.5 28.2 22.4 70 73 A L H 3< S+ 0 0 12 -4,-1.4 17,-2.1 -3,-0.2 -1,-0.2 0.392 91.8 133.2-101.3 -1.5 18.1 29.0 18.7 71 74 A A B << -h 87 0B 0 -3,-0.8 17,-0.2 -4,-0.7 11,-0.1 -0.210 53.4-122.4 -65.5 143.2 17.4 32.9 19.0 72 75 A I >> - 0 0 4 15,-2.0 3,-2.0 12,-0.1 4,-1.7 -0.212 38.9 -93.0 -68.9 167.7 19.1 35.6 16.8 73 76 A R T 34 S+ 0 0 109 9,-2.8 10,-0.1 6,-0.4 6,-0.1 0.752 120.5 67.2 -52.9 -35.3 21.1 38.5 18.5 74 77 A A T 34 S+ 0 0 58 8,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.775 115.9 28.0 -61.7 -24.4 18.1 40.8 18.7 75 78 A Y T <4 S+ 0 0 49 -3,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.633 128.7 36.8-106.9 -24.7 16.5 38.4 21.2 76 79 A N >< - 0 0 24 -4,-1.7 3,-1.9 3,-0.1 -1,-0.2 -0.871 59.6-161.2-141.8 102.1 19.5 36.8 22.9 77 80 A K T 3 S+ 0 0 188 -2,-0.4 3,-0.3 1,-0.3 -4,-0.1 0.635 88.2 70.5 -56.1 -17.6 22.7 38.8 23.6 78 81 A E T 3 S+ 0 0 169 1,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.680 87.4 66.5 -71.7 -20.2 24.7 35.5 24.0 79 82 A H X + 0 0 40 -3,-1.9 3,-1.9 1,-0.2 -6,-0.4 -0.418 56.0 156.2-107.5 59.9 24.4 34.8 20.3 80 83 A Q T 3 S+ 0 0 100 -2,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 0.748 71.6 57.6 -59.4 -29.0 26.6 37.6 18.7 81 84 A D T 3 S+ 0 0 127 -3,-0.2 2,-1.2 1,-0.2 3,-0.3 0.634 87.9 86.2 -76.3 -12.2 27.3 35.6 15.5 82 85 A Q < + 0 0 24 -3,-1.9 -9,-2.8 1,-0.2 -8,-0.3 -0.599 38.1 133.9 -98.3 84.1 23.5 35.2 14.7 83 86 A V S S+ 0 0 78 -2,-1.2 -1,-0.2 -11,-0.2 -9,-0.1 0.867 87.0 10.2 -90.3 -40.2 22.4 38.4 12.8 84 87 A R S S+ 0 0 8 -3,-0.3 2,-0.3 246,-0.1 17,-0.1 0.870 114.3 65.7-103.0 -48.1 20.4 36.5 10.0 85 88 A A S S+ 0 0 2 245,-0.1 2,-0.3 15,-0.1 17,-0.2 -0.640 79.7 39.1 -93.8 138.4 20.0 32.8 10.8 86 89 A G E S- I 0 101B 1 15,-2.0 15,-2.5 -2,-0.3 2,-0.4 -0.903 90.7 -22.5 128.4-159.5 17.9 31.3 13.7 87 90 A Y E -hI 71 100B 0 -17,-2.1 -15,-2.0 -2,-0.3 2,-0.6 -0.726 39.0-158.8 -96.9 138.9 14.6 31.9 15.6 88 91 A Y E - I 0 99B 12 11,-3.0 11,-2.1 -2,-0.4 2,-0.1 -0.949 28.1-138.3-114.8 109.7 12.8 35.3 15.7 89 92 A L - 0 0 18 -2,-0.6 2,-0.1 9,-0.2 8,-0.1 -0.324 0.4-128.5 -78.4 145.2 10.5 35.3 18.8 90 93 A S - 0 0 33 6,-0.1 6,-0.2 -2,-0.1 8,-0.1 -0.402 14.9-141.6 -69.4 163.4 6.9 36.5 19.3 91 94 A I B >> -O 95 0C 80 4,-2.2 3,-2.7 6,-0.1 4,-2.6 -0.843 20.9-133.2-128.3 95.7 6.1 38.8 22.2 92 95 A P T 34 S+ 0 0 120 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.201 92.1 19.6 -55.8 137.2 2.7 37.8 23.7 93 96 A G T 34 S+ 0 0 49 1,-0.1 102,-0.4 100,-0.0 103,-0.1 0.127 136.1 36.8 88.8 -17.4 0.5 41.0 24.2 94 97 A K T <4 S+ 0 0 136 -3,-2.7 2,-0.4 1,-0.3 -1,-0.1 0.654 115.1 31.2-132.3 -42.0 2.7 43.1 21.8 95 98 A K B < -O 91 0C 33 -4,-2.6 -4,-2.2 1,-0.1 -1,-0.3 -0.977 50.0-176.5-134.4 115.6 4.0 41.2 18.7 96 99 A A + 0 0 9 -2,-0.4 -1,-0.1 -6,-0.2 -6,-0.1 0.918 57.5 86.9 -78.0 -45.0 2.1 38.3 17.0 97 100 A V + 0 0 29 99,-0.1 2,-0.3 110,-0.1 89,-0.2 -0.194 47.2 169.4 -64.0 146.1 4.5 37.2 14.2 98 101 A E E + J 0 185B 9 87,-1.6 87,-3.0 -8,-0.1 2,-0.3 -0.970 6.8 169.8-150.4 157.5 7.4 34.6 14.8 99 102 A S E -IJ 88 184B 4 -11,-2.1 -11,-3.0 -2,-0.3 2,-0.4 -0.987 29.9-128.9-161.6 166.1 9.7 32.8 12.3 100 103 A F E -IJ 87 183B 1 83,-1.5 83,-2.7 -2,-0.3 2,-0.4 -0.990 23.5-164.9-126.2 124.4 12.8 30.7 11.6 101 104 A C E +IJ 86 182B 1 -15,-2.5 -15,-2.0 -2,-0.4 2,-0.3 -0.882 8.4 177.3-110.8 138.5 15.5 31.7 9.0 102 105 A Y E - J 0 181B 3 79,-2.1 79,-2.3 -2,-0.4 2,-0.1 -0.968 10.0-155.3-138.1 152.1 18.2 29.5 7.4 103 106 A L - 0 0 0 -2,-0.3 77,-0.1 77,-0.2 75,-0.1 -0.302 51.2 -33.6-109.0-173.3 20.9 30.2 4.8 104 107 A N > - 0 0 1 75,-0.4 3,-2.2 73,-0.3 20,-0.3 -0.322 49.2-142.0 -44.1 119.6 22.9 28.1 2.2 105 108 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.755 99.9 68.9 -62.2 -18.6 23.6 24.5 3.7 106 109 A N T 3 + 0 0 60 68,-0.3 2,-2.1 1,-0.1 -2,-0.1 0.627 70.0 97.8 -75.1 -8.5 27.1 24.8 2.1 107 110 A F < + 0 0 4 -3,-2.2 17,-0.4 15,-0.1 -1,-0.1 -0.535 58.9 158.7 -79.0 78.5 28.1 27.6 4.6 108 111 A T > - 0 0 54 -2,-2.1 3,-2.3 15,-0.1 6,-0.2 -0.486 59.9 -95.4 -94.0 170.1 29.9 25.1 6.8 109 112 A P T 3 S+ 0 0 88 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.816 126.7 51.2 -62.6 -24.4 32.6 25.9 9.4 110 113 A D T 3 S+ 0 0 127 4,-0.1 -3,-0.1 5,-0.0 5,-0.0 0.425 80.1 120.6 -88.7 1.7 35.3 25.1 6.8 111 114 A H S X> S- 0 0 25 -3,-2.3 4,-2.8 1,-0.1 3,-0.6 -0.406 70.1-127.8 -67.0 133.9 33.7 27.4 4.1 112 115 A P H 3> S+ 0 0 101 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.807 107.9 50.7 -55.2 -28.8 36.3 30.1 3.1 113 116 A R H 34>S+ 0 0 72 2,-0.2 5,-2.2 1,-0.2 4,-0.2 0.795 111.3 47.4 -81.3 -28.1 33.8 33.0 3.6 114 117 A I H X45S+ 0 0 31 -3,-0.6 3,-0.8 -6,-0.2 -1,-0.2 0.878 110.3 53.5 -73.1 -41.0 32.9 31.7 7.2 115 118 A Q H 3<5S+ 0 0 141 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.1 0.887 111.9 45.3 -56.4 -41.9 36.6 31.4 7.9 116 119 A A T 3<5S- 0 0 70 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.505 107.8-127.6 -82.9 -4.4 37.1 35.1 6.9 117 120 A K T < 5 - 0 0 160 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.879 37.5-175.0 57.1 44.4 34.1 36.3 8.9 118 121 A T > < - 0 0 17 -5,-2.2 3,-1.4 1,-0.1 -1,-0.2 -0.513 32.8 -99.4 -73.3 133.1 32.6 38.1 5.9 119 122 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 196,-0.1 -0.183 105.9 22.9 -49.9 145.8 29.4 40.1 6.7 120 123 A T T 3 S+ 0 0 19 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.170 98.0 106.2 77.6 -11.4 26.0 38.3 5.8 121 124 A H < + 0 0 16 -3,-1.4 2,-0.3 -8,-0.2 -1,-0.2 -0.884 42.3 157.2 -96.6 128.2 27.6 34.7 5.8 122 125 A E - 0 0 20 -2,-0.5 2,-0.5 -18,-0.1 -15,-0.1 -0.969 44.5-111.1-143.9 152.9 26.6 32.5 8.9 123 126 A V - 0 0 65 -2,-0.3 -15,-0.1 -9,-0.1 -38,-0.1 -0.819 46.5-112.4 -81.7 126.6 26.5 28.7 9.7 124 127 A N - 0 0 18 -2,-0.5 2,-0.3 -17,-0.4 -22,-0.1 -0.145 23.4-141.0 -56.1 149.3 22.9 27.6 10.2 125 128 A V - 0 0 39 -55,-0.1 -39,-0.1 0, 0.0 -1,-0.1 -0.892 20.1-168.9-110.3 147.0 21.6 26.5 13.6 126 129 A W - 0 0 45 -2,-0.3 3,-0.1 -24,-0.0 -24,-0.0 -0.955 22.7-109.1-133.8 150.7 19.1 23.5 14.0 127 130 A P - 0 0 17 0, 0.0 9,-0.1 0, 0.0 5,-0.1 -0.227 58.3 -69.3 -70.0 168.3 16.9 22.1 16.7 128 131 A D > - 0 0 79 1,-0.1 4,-1.3 3,-0.1 3,-0.5 -0.366 40.6-136.0 -57.0 132.1 17.7 18.7 18.4 129 132 A E T 4 S+ 0 0 90 1,-0.2 6,-0.2 2,-0.2 3,-0.2 0.871 102.5 54.3 -59.9 -40.2 17.2 15.7 15.9 130 133 A T T 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.845 112.5 44.1 -67.5 -30.3 15.5 13.4 18.5 131 134 A K T 4 S+ 0 0 102 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.703 127.8 28.6 -79.7 -24.2 12.9 16.2 19.2 132 135 A H S >< S- 0 0 14 -4,-1.3 3,-2.1 -3,-0.2 4,-0.5 -0.551 85.5-162.8-135.4 60.2 12.3 17.1 15.5 133 136 A P T 3 S+ 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.268 74.3 0.3 -58.7 130.6 13.1 13.8 13.6 134 137 A G T 3> S+ 0 0 35 -5,-0.1 4,-2.2 1,-0.1 5,-0.2 0.350 99.2 113.1 80.8 -10.5 13.7 14.3 9.9 135 138 A F H <> S+ 0 0 17 -3,-2.1 4,-2.8 -6,-0.2 5,-0.2 0.937 74.8 45.1 -66.9 -51.6 13.3 18.2 10.0 136 139 A Q H > S+ 0 0 63 -4,-0.5 4,-2.6 1,-0.2 5,-0.3 0.937 115.9 48.5 -59.0 -44.7 16.8 19.4 9.2 137 140 A D H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 113.2 47.3 -66.5 -41.6 17.1 16.9 6.3 138 141 A F H X S+ 0 0 33 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.950 113.3 48.7 -55.1 -49.0 13.7 18.0 4.9 139 142 A A H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.873 111.7 48.1 -66.1 -43.5 14.6 21.7 5.2 140 143 A E H X S+ 0 0 47 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.931 111.9 49.6 -62.6 -40.2 18.0 21.3 3.5 141 144 A Q H X S+ 0 0 113 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.927 108.3 54.2 -64.9 -40.2 16.4 19.3 0.6 142 145 A Y H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.901 101.9 58.6 -59.2 -40.8 13.7 22.1 0.2 143 146 A Y H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.943 109.2 44.1 -54.8 -44.3 16.4 24.7 -0.2 144 147 A W H X S+ 0 0 74 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.854 111.6 53.4 -72.6 -35.1 17.8 22.8 -3.2 145 148 A D H X S+ 0 0 76 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.933 114.6 40.0 -61.8 -47.3 14.3 22.2 -4.7 146 149 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.836 111.8 58.4 -76.3 -27.1 13.4 26.0 -4.5 147 150 A F H X S+ 0 0 21 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.933 106.3 49.5 -59.8 -48.7 16.9 26.9 -5.7 148 151 A G H X S+ 0 0 33 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.906 111.4 47.6 -57.5 -46.3 16.3 24.8 -8.8 149 152 A L H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.937 111.7 51.6 -56.3 -47.5 12.9 26.5 -9.5 150 153 A S H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.885 105.4 54.6 -63.4 -37.9 14.6 30.0 -9.0 151 154 A S H X S+ 0 0 23 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.923 109.6 48.0 -62.9 -41.9 17.4 29.2 -11.5 152 155 A A H X S+ 0 0 4 -4,-1.7 4,-1.5 2,-0.2 3,-0.5 0.938 111.4 50.2 -61.5 -48.4 14.7 28.3 -14.1 153 156 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.919 105.9 55.8 -56.3 -45.2 12.8 31.6 -13.4 154 157 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 14,-0.3 0.794 102.1 57.1 -57.7 -31.6 16.0 33.6 -13.7 155 158 A K H X S+ 0 0 56 -4,-1.2 4,-2.1 -3,-0.5 -1,-0.2 0.915 107.4 49.0 -62.6 -41.3 16.4 32.1 -17.3 156 159 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.925 110.3 49.5 -69.3 -43.0 13.0 33.6 -18.2 157 160 A Y H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.917 109.8 51.5 -58.6 -45.7 13.8 37.1 -16.7 158 161 A A H <>S+ 0 0 0 -4,-2.0 5,-2.5 7,-0.3 3,-0.4 0.937 112.2 46.0 -55.2 -49.0 17.1 37.2 -18.7 159 162 A L H ><5S+ 0 0 31 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.878 108.7 56.9 -60.6 -38.6 15.3 36.3 -22.0 160 163 A A H 3<5S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.832 105.9 50.1 -64.4 -32.4 12.6 38.9 -21.2 161 164 A L T 3<5S- 0 0 12 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.368 123.5-101.3 -91.1 8.7 15.2 41.7 -21.0 162 165 A G T < 5S+ 0 0 70 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.641 84.2 120.4 80.2 19.3 16.9 40.8 -24.4 163 166 A K S - 0 0 104 -2,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.375 49.9-105.4 -66.8 159.2 21.2 35.3 -23.1 165 168 A E T 3 S+ 0 0 45 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.716 116.9 54.3 -72.5 -18.9 19.5 32.9 -20.7 166 169 A N T 3> S+ 0 0 65 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.313 72.2 111.0 -93.7 15.8 22.4 32.7 -18.2 167 170 A F T <4 S+ 0 0 47 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.901 97.0 15.6 -54.3 -47.9 22.8 36.5 -17.7 168 171 A F T >4 S+ 0 0 0 -14,-0.3 3,-2.4 -3,-0.3 -1,-0.2 0.863 122.0 62.7 -87.3 -45.8 21.5 36.3 -14.0 169 172 A A G >4 S+ 0 0 13 -4,-0.4 3,-1.8 1,-0.3 -2,-0.2 0.755 90.2 67.6 -61.1 -29.0 21.9 32.5 -13.3 170 173 A R G 3< S+ 0 0 166 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.750 103.4 47.0 -55.2 -30.8 25.7 32.6 -13.9 171 174 A H G < S+ 0 0 30 -3,-2.4 115,-0.7 -5,-0.2 2,-0.6 0.223 98.4 78.9 -93.2 5.8 25.9 34.7 -10.6 172 175 A F < + 0 0 3 -3,-1.8 -1,-0.1 113,-0.2 113,-0.1 -0.886 64.0 159.8-124.0 90.3 23.5 32.3 -8.6 173 176 A K >> - 0 0 102 -2,-0.6 4,-2.3 1,-0.1 3,-1.5 -0.942 48.8-127.0-124.4 142.5 25.6 29.2 -7.6 174 177 A P T 34 S+ 0 0 47 0, 0.0 -68,-0.3 0, 0.0 -1,-0.1 0.811 107.9 56.1 -51.9 -40.0 25.3 26.4 -4.9 175 178 A D T 34 S+ 0 0 117 1,-0.2 -71,-0.0 -69,-0.0 0, 0.0 0.707 126.5 10.3 -74.6 -13.5 28.8 27.1 -3.4 176 179 A D T <4 S+ 0 0 66 -3,-1.5 111,-0.3 -69,-0.0 -1,-0.2 0.487 77.3 137.4-145.4 -0.3 28.2 30.9 -2.7 177 180 A T < - 0 0 0 -4,-2.3 -73,-0.3 1,-0.1 109,-0.2 -0.279 41.0-151.9 -59.0 140.1 24.6 32.2 -3.0 178 181 A L + 0 0 0 107,-2.1 107,-0.2 -75,-0.1 -1,-0.1 0.219 51.0 138.6 -88.4 8.2 23.4 34.5 -0.1 179 182 A A - 0 0 0 105,-0.6 -75,-0.4 -76,-0.1 2,-0.3 -0.218 35.3-161.0 -58.6 147.9 19.8 33.3 -0.7 180 183 A S E - K 0 282B 0 102,-1.2 102,-2.3 -77,-0.1 2,-0.4 -0.945 16.2-146.5-132.8 149.3 17.6 32.6 2.4 181 184 A V E -JK 102 281B 1 -79,-2.3 -79,-2.1 -2,-0.3 2,-0.4 -0.930 15.4-166.2-104.4 135.2 14.4 30.6 3.4 182 185 A V E -J 101 0B 6 98,-2.0 2,-0.9 -2,-0.4 -81,-0.2 -0.988 10.5-157.9-122.1 128.9 12.1 32.1 6.1 183 186 A L E -J 100 0B 3 -83,-2.7 -83,-1.5 -2,-0.4 2,-0.5 -0.844 22.7-170.5-102.4 93.2 9.4 29.9 7.7 184 187 A I E -JL 99 278B 8 94,-2.1 94,-1.9 -2,-0.9 2,-0.6 -0.789 11.1-158.7 -91.6 129.8 7.0 32.7 9.1 185 188 A R E -JL 98 277B 45 -87,-3.0 -87,-1.6 -2,-0.5 92,-0.2 -0.935 5.3-171.0-104.1 121.0 4.1 31.7 11.4 186 189 A Y E - L 0 276B 13 90,-2.2 90,-2.9 -2,-0.6 2,-0.1 -0.974 26.3-148.6-106.0 116.1 1.1 34.3 11.5 187 190 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 87,-0.4 -0.404 15.9-121.1 -90.1 152.8 -1.0 32.9 14.4 188 191 A Y - 0 0 127 85,-0.2 2,-0.4 -2,-0.1 85,-0.1 -0.781 39.8-172.2 -74.2 133.7 -4.7 33.0 15.2 189 192 A L - 0 0 57 -2,-0.4 3,-0.3 4,-0.0 -93,-0.0 -0.998 19.6-141.4-134.7 135.6 -5.1 34.8 18.6 190 193 A D S S+ 0 0 135 1,-0.4 2,-0.1 -2,-0.4 -2,-0.0 -0.940 101.3 21.3-133.6 105.8 -8.1 35.2 20.9 191 194 A P S S- 0 0 119 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 0.625 93.8-148.0 -76.8 151.7 -7.9 38.1 22.0 192 195 A Y - 0 0 27 -3,-0.3 2,-0.2 -2,-0.1 5,-0.1 -0.792 23.0-118.9 -87.8 121.6 -5.6 39.7 19.3 193 196 A P > - 0 0 25 0, 0.0 3,-1.5 0, 0.0 -97,-0.1 -0.471 10.1-144.7 -67.0 128.3 -3.4 42.4 20.9 194 197 A E G > S+ 0 0 131 1,-0.3 3,-1.6 -2,-0.2 -100,-0.1 0.726 97.2 68.5 -63.9 -28.0 -4.0 45.9 19.4 195 198 A A G 3 S+ 0 0 60 -102,-0.4 -1,-0.3 1,-0.3 -101,-0.1 0.770 95.7 56.9 -63.9 -18.9 -0.3 46.7 19.8 196 199 A A G < S+ 0 0 11 -3,-1.5 2,-0.5 -103,-0.1 -1,-0.3 0.395 94.4 81.5 -90.6 1.6 0.3 44.1 17.1 197 200 A I < - 0 0 17 -3,-1.6 2,-0.2 -5,-0.1 10,-0.2 -0.949 62.4-164.4-112.0 123.0 -2.0 45.9 14.6 198 201 A K E -B 206 0A 87 8,-2.5 8,-2.9 -2,-0.5 2,-0.4 -0.667 12.2-138.4 -97.8 158.1 -0.7 48.9 12.6 199 202 A T E -B 205 0A 95 -2,-0.2 6,-0.2 6,-0.2 5,-0.1 -0.986 12.5-140.3-123.3 124.7 -3.0 51.5 10.8 200 203 A A > - 0 0 9 4,-2.4 3,-2.1 -2,-0.4 9,-0.0 -0.290 32.2-101.9 -73.1 166.5 -2.2 52.8 7.3 201 204 A A T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.819 125.3 52.8 -58.1 -29.4 -2.9 56.5 6.2 202 205 A D T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.338 124.2-103.6 -88.6 7.2 -6.0 55.3 4.4 203 206 A G S < S+ 0 0 48 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.328 70.9 145.9 91.0 -4.1 -7.3 53.5 7.5 204 207 A T - 0 0 35 -5,-0.1 -4,-2.4 1,-0.1 2,-0.4 -0.473 49.9-125.7 -71.5 127.1 -6.5 49.9 6.5 205 208 A K E -B 199 0A 97 -6,-0.2 66,-2.2 -2,-0.2 2,-0.3 -0.645 37.1-171.0 -73.1 127.2 -5.4 47.6 9.4 206 209 A L E -BC 198 270A 0 -8,-2.9 -8,-2.5 -2,-0.4 64,-0.3 -0.882 39.0-163.8-123.1 155.2 -2.0 45.9 8.8 207 210 A S E S+ 0 0 17 62,-2.3 2,-0.3 1,-0.3 63,-0.2 0.618 94.4 18.5 -99.8 -28.7 0.4 43.3 10.1 208 211 A F E S- C 0 269A 13 61,-1.4 61,-2.3 -10,-0.1 -1,-0.3 -0.980 85.2-124.1-146.6 130.8 3.5 44.7 8.1 209 212 A E E - 0 0 49 -2,-0.3 58,-0.1 116,-0.2 116,-0.1 -0.102 43.5 -64.2 -69.4 169.8 3.8 48.2 6.4 210 213 A W E + 0 0 118 58,-0.1 2,-0.3 56,-0.1 58,-0.2 -0.173 68.2 144.3 -53.7 140.1 4.5 49.3 2.9 211 214 A H E - C 0 267A 4 56,-1.3 56,-2.1 -3,-0.1 2,-0.3 -0.977 46.9-122.2-165.0 161.9 7.9 48.3 1.5 212 215 A E - 0 0 85 -2,-0.3 54,-0.1 54,-0.2 39,-0.1 -0.933 47.7-103.0-104.4 154.7 9.9 47.2 -1.6 213 216 A D - 0 0 3 37,-0.4 39,-2.6 52,-0.4 2,-1.0 -0.342 13.6-132.2 -80.5 149.6 11.8 43.9 -1.2 214 217 A V S S+ 0 0 15 37,-0.2 2,-0.3 38,-0.1 3,-0.1 -0.843 75.0 78.5 -95.7 92.5 15.5 43.5 -0.6 215 218 A S S S- 0 0 0 -2,-1.0 38,-1.8 1,-0.1 39,-0.7 -0.947 84.2-112.5-172.0 169.7 16.3 40.7 -3.3 216 219 A L S S- 0 0 0 67,-2.3 35,-2.1 1,-0.5 38,-0.4 0.905 104.3 -15.6 -79.8 -56.9 16.8 40.2 -7.0 217 220 A I E -MN 250 283B 0 66,-0.8 66,-2.4 33,-0.3 -1,-0.5 -0.952 68.5-136.3-133.6 163.0 13.5 38.3 -7.1 218 221 A T E -MN 249 282B 4 31,-2.6 31,-1.3 -2,-0.3 2,-0.5 -0.968 8.3-161.6-120.4 142.6 11.3 36.8 -4.4 219 222 A V E -MN 248 281B 0 62,-2.4 62,-1.5 -2,-0.4 2,-0.4 -0.928 21.2-173.3-129.9 102.4 9.7 33.3 -4.7 220 223 A L E -MN 247 280B 16 27,-2.5 27,-2.7 -2,-0.5 2,-0.5 -0.864 23.3-168.9-119.2 125.0 6.9 32.9 -2.2 221 224 A Y E + N 0 279B 10 58,-1.5 58,-2.8 -2,-0.4 2,-0.3 -0.933 22.4 173.8 -95.6 134.5 4.5 30.0 -1.0 222 225 A Q E - N 0 278B 21 -2,-0.5 56,-0.2 23,-0.4 20,-0.2 -0.973 32.2-105.8-130.9 155.4 1.5 31.1 1.2 223 226 A S - 0 0 20 54,-1.5 2,-1.7 -2,-0.3 19,-0.2 -0.162 50.1 -89.3 -58.1 170.3 -1.6 29.4 2.7 224 227 A N S S+ 0 0 104 17,-0.1 2,-0.4 19,-0.1 -1,-0.1 -0.453 89.8 111.6 -88.4 61.5 -5.0 30.0 1.2 225 228 A V - 0 0 39 -2,-1.7 2,-0.1 49,-0.0 17,-0.1 -0.968 68.7-124.6-132.5 116.0 -6.0 33.1 3.3 226 229 A Q + 0 0 45 -2,-0.4 14,-0.1 1,-0.2 -2,-0.1 -0.401 57.6 124.9 -60.7 129.9 -6.1 36.4 1.4 227 230 A N + 0 0 3 12,-0.5 43,-2.6 -2,-0.1 2,-0.2 0.465 34.0 101.9-154.5 -25.4 -3.9 39.2 2.9 228 231 A L E -D 269 0A 14 11,-0.4 11,-2.6 41,-0.2 2,-0.3 -0.488 41.6-172.4 -78.7 141.7 -1.4 40.8 0.4 229 232 A Q E -DE 268 238A 9 39,-2.2 39,-2.1 9,-0.2 2,-0.4 -0.993 7.6-154.3-128.9 149.8 -2.0 44.3 -1.3 230 233 A V E -DE 267 237A 0 7,-2.4 7,-2.2 -2,-0.3 2,-0.4 -0.955 17.4-127.3-123.5 131.0 0.0 46.1 -4.1 231 234 A E E + E 0 236A 100 35,-2.4 35,-0.3 -2,-0.4 5,-0.2 -0.658 38.9 164.6 -74.5 124.9 0.3 49.8 -4.9 232 235 A T E > - E 0 235A 38 3,-2.0 3,-2.0 -2,-0.4 -196,-0.1 -0.727 57.2 -89.6-126.9 178.7 -0.6 50.7 -8.5 233 236 A A T 3 S+ 0 0 120 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.765 130.0 56.3 -64.0 -21.8 -1.5 54.0 -10.4 234 237 A A T 3 S- 0 0 69 1,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.338 122.1-103.0 -89.3 5.9 -5.1 53.1 -9.4 235 238 A G E < - E 0 232A 31 -3,-2.0 -3,-2.0 -234,-0.1 -1,-0.3 -0.591 68.4 -18.1 106.9-171.7 -4.3 52.9 -5.7 236 239 A Y E - E 0 231A 46 -5,-0.2 -234,-0.3 -2,-0.2 2,-0.3 -0.591 66.2-169.3 -72.7 133.7 -3.8 49.8 -3.4 237 240 A Q E - E 0 230A 35 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.3 -0.945 22.5-109.6-121.3 147.9 -5.2 46.5 -4.9 238 241 A D E -aE 3 229A 26 -236,-2.0 -234,-3.1 -2,-0.3 2,-0.6 -0.569 20.4-146.0 -78.4 132.8 -5.8 43.0 -3.4 239 242 A I - 0 0 3 -11,-2.6 -12,-0.5 -2,-0.3 -11,-0.4 -0.833 24.1-128.0 -90.7 120.0 -3.7 40.0 -4.5 240 243 A E - 0 0 80 -2,-0.6 2,-0.1 -236,-0.3 -15,-0.0 -0.330 22.5-116.1 -66.5 146.2 -5.8 36.8 -4.5 241 244 A A + 0 0 27 -17,-0.1 2,-0.2 2,-0.0 -17,-0.1 -0.459 31.7 175.8 -74.2 152.7 -4.4 33.7 -2.6 242 245 A D > - 0 0 28 -19,-0.2 3,-1.2 -20,-0.2 -20,-0.3 -0.645 12.3-170.9-157.7 100.8 -3.4 30.4 -4.4 243 246 A D T 3 S+ 0 0 64 1,-0.2 -19,-0.1 -2,-0.2 -20,-0.0 0.255 83.5 63.0 -81.8 16.2 -1.8 27.7 -2.2 244 247 A T T 3 S+ 0 0 86 -21,-0.1 -1,-0.2 -196,-0.0 2,-0.2 0.563 103.9 44.1-108.6 -11.4 -0.9 25.5 -5.3 245 248 A G S < S- 0 0 1 -3,-1.2 2,-0.5 -23,-0.1 -23,-0.4 -0.614 81.0-105.5-123.0-179.1 1.5 28.0 -7.0 246 249 A Y E -G 41 0B 0 -205,-1.7 -205,-3.0 -2,-0.2 2,-0.4 -0.960 25.4-137.5-111.1 124.1 4.4 30.4 -6.2 247 250 A L E -GM 40 220B 4 -27,-2.7 -27,-2.5 -2,-0.5 2,-0.4 -0.730 26.8-165.5 -80.6 125.8 3.9 34.2 -6.1 248 251 A I E +GM 39 219B 0 -209,-2.8 -209,-1.7 -2,-0.4 2,-0.3 -0.949 17.3 154.4-115.5 142.1 6.8 36.0 -7.8 249 252 A N E -GM 38 218B 4 -31,-1.3 -31,-2.6 -2,-0.4 2,-0.2 -0.964 38.8-103.9-154.2 164.5 8.0 39.7 -7.8 250 253 A C E - M 0 217B 4 -213,-0.5 -37,-0.4 13,-0.3 -33,-0.3 -0.596 28.2-147.4 -86.9 145.3 11.2 41.8 -8.4 251 254 A G >> - 0 0 0 -35,-2.1 4,-1.3 -2,-0.2 3,-1.0 -0.574 39.4 -84.3-103.0-178.1 13.2 43.4 -5.5 252 255 A S H 3> S+ 0 0 32 -39,-2.6 4,-2.2 1,-0.3 -36,-0.1 0.663 121.5 65.3 -70.5 -16.0 15.1 46.6 -5.6 253 256 A Y H 3> S+ 0 0 0 -38,-1.8 4,-2.3 -40,-0.3 -1,-0.3 0.929 103.4 48.0 -68.0 -42.6 18.3 45.1 -7.0 254 257 A M H <> S+ 0 0 0 -3,-1.0 4,-1.5 -39,-0.7 8,-0.3 0.906 109.4 52.7 -61.5 -40.2 16.4 44.3 -10.2 255 258 A A H <>S+ 0 0 9 -4,-1.3 5,-2.6 1,-0.2 4,-0.3 0.923 109.9 50.6 -60.0 -42.8 15.0 47.9 -10.3 256 259 A H H ><5S+ 0 0 30 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.965 111.3 45.3 -56.6 -52.3 18.6 49.2 -10.0 257 260 A L H 3<5S+ 0 0 0 -4,-2.3 37,-3.1 1,-0.3 -1,-0.2 0.739 118.2 43.6 -67.6 -29.2 20.1 47.1 -12.9 258 261 A T T ><5S- 0 0 0 -4,-1.5 3,-1.7 4,-0.2 -1,-0.3 0.224 110.6-116.0-100.8 10.4 17.2 47.8 -15.3 259 262 A N T < 5S- 0 0 44 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.873 76.9 -53.9 50.8 46.3 17.0 51.7 -14.5 260 263 A N T 3 - 0 0 3 -115,-0.7 3,-1.2 -109,-0.2 25,-0.3 -0.460 50.0-103.0 -93.5 167.5 27.2 36.1 -4.2 287 290 A Y T 3 S+ 0 0 37 -111,-0.3 24,-2.0 1,-0.3 25,-0.4 0.821 120.2 35.3 -61.6 -39.5 28.9 38.7 -2.0 288 291 A D T 3 S+ 0 0 106 22,-0.2 -1,-0.3 23,-0.1 2,-0.2 0.326 86.3 130.9 -98.4 4.9 31.2 40.0 -4.8 289 292 A S < - 0 0 18 -3,-1.2 21,-2.9 -118,-0.1 2,-0.4 -0.403 31.7-179.7 -63.3 129.7 28.7 39.6 -7.7 290 293 A V - 0 0 60 19,-0.2 2,-0.5 -2,-0.2 19,-0.1 -0.983 12.5-169.8-129.0 125.7 28.3 42.8 -9.8 291 294 A I - 0 0 6 17,-0.4 17,-0.4 -2,-0.4 -123,-0.0 -0.955 30.5-120.6-110.2 125.3 26.0 43.2 -12.8 292 295 A D - 0 0 117 -2,-0.5 14,-0.1 15,-0.1 -2,-0.0 -0.480 33.8-114.3 -64.2 127.4 26.6 46.4 -14.9 293 296 A P + 0 0 21 0, 0.0 10,-0.4 0, 0.0 2,-0.3 -0.266 42.2 171.4 -63.4 148.7 23.4 48.6 -14.9 294 297 A F - 0 0 15 -37,-3.1 8,-0.2 8,-0.1 7,-0.1 -0.884 29.2-130.9-145.9-179.5 21.6 49.1 -18.3 295 298 A D > - 0 0 9 6,-2.1 3,-2.0 -2,-0.3 6,-0.3 -0.868 5.3-165.2-143.9 99.1 18.3 50.5 -19.7 296 299 A P T 3 S+ 0 0 49 0, 0.0 -37,-0.1 0, 0.0 6,-0.1 0.387 89.3 63.1 -67.2 1.3 16.2 48.5 -22.2 297 300 A R T 3 S+ 0 0 127 4,-0.1 3,-0.0 3,-0.0 0, 0.0 0.566 88.4 82.1 -94.9 -15.0 14.3 51.6 -23.2 298 301 A E S X S- 0 0 104 -3,-2.0 3,-2.2 1,-0.1 -3,-0.1 -0.806 80.9-130.3 -95.6 134.3 17.3 53.4 -24.6 299 302 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.804 112.1 37.5 -42.9 -42.7 18.6 52.7 -28.2 300 303 A N T 3 S- 0 0 125 2,-0.1 -3,-0.0 -3,-0.0 -2,-0.0 0.361 104.6-128.8 -95.4 3.7 22.2 52.2 -26.9 301 304 A G < + 0 0 24 -3,-2.2 -6,-2.1 -6,-0.3 -4,-0.1 0.417 57.0 146.5 69.0 -2.2 21.2 50.5 -23.6 302 305 A K - 0 0 59 -8,-0.2 2,-0.3 -6,-0.1 -1,-0.2 -0.319 30.4-159.9 -73.6 148.7 23.3 52.9 -21.5 303 306 A S - 0 0 26 -10,-0.4 -8,-0.1 2,-0.2 -1,-0.0 -0.941 24.7-138.1-127.6 149.6 22.3 54.0 -18.0 304 307 A D S S+ 0 0 181 -2,-0.3 2,-0.3 -10,-0.1 -2,-0.0 0.083 76.3 103.4 -92.3 23.6 23.3 57.0 -15.7 305 308 A R - 0 0 90 -49,-0.1 -2,-0.2 -48,-0.1 -49,-0.0 -0.790 69.5-125.7-102.9 149.1 23.4 54.6 -12.6 306 309 A E - 0 0 159 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.668 32.2 -94.4 -94.2 147.0 26.7 53.3 -11.0 307 310 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 -0.297 39.2-165.4 -60.8 143.0 27.6 49.6 -10.4 308 311 A L - 0 0 58 -17,-0.4 -17,-0.4 -19,-0.0 2,-0.1 -0.998 18.1-126.8-131.6 125.8 26.8 48.2 -6.9 309 312 A S > - 0 0 27 -2,-0.4 4,-2.2 -19,-0.1 3,-0.2 -0.486 20.8-124.7 -76.0 142.3 28.1 44.9 -5.5 310 313 A Y H > S+ 0 0 0 -21,-2.9 4,-2.8 -24,-0.3 5,-0.2 0.898 107.5 55.4 -54.7 -46.3 25.4 42.4 -4.2 311 314 A G H > S+ 0 0 0 -24,-2.0 4,-2.4 -25,-0.3 -1,-0.2 0.891 109.8 43.8 -48.3 -52.4 27.1 42.2 -0.7 312 315 A D H > S+ 0 0 77 -25,-0.4 4,-1.8 -3,-0.2 5,-0.3 0.908 114.9 51.5 -62.6 -44.2 27.1 46.0 -0.1 313 316 A Y H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 112.4 45.6 -54.5 -48.7 23.5 46.1 -1.4 314 317 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.944 111.7 49.0 -69.6 -49.6 22.2 43.3 0.9 315 318 A Q H X S+ 0 0 55 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.936 117.0 39.9 -57.9 -49.1 23.9 44.5 4.2 316 319 A N H X S+ 0 0 106 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.904 114.6 53.8 -68.9 -39.3 22.6 48.1 3.9 317 320 A G H X S+ 0 0 16 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.893 107.3 49.6 -62.7 -44.2 19.2 47.0 2.6 318 321 A L H X S+ 0 0 27 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.902 113.1 48.0 -64.3 -39.3 18.5 44.6 5.5 319 322 A V H X S+ 0 0 84 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.936 111.8 49.3 -62.9 -47.0 19.5 47.3 8.1 320 323 A S H X S+ 0 0 72 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.834 107.9 54.3 -61.1 -36.0 17.3 50.0 6.4 321 324 A L H X S+ 0 0 15 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.853 108.7 47.8 -69.7 -38.5 14.3 47.7 6.3 322 325 A I H X S+ 0 0 73 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.911 113.6 48.4 -63.3 -46.7 14.5 47.0 10.1 323 326 A N H < S+ 0 0 130 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.884 118.3 41.9 -58.7 -37.6 14.8 50.9 10.7 324 327 A K H < S+ 0 0 93 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.967 133.5 13.2 -74.2 -57.4 11.8 51.6 8.4 325 328 A N H < S- 0 0 24 -4,-2.4 -116,-0.2 1,-0.2 -3,-0.2 0.384 109.8-102.6-107.3 -2.6 9.3 48.8 9.4 326 329 A G < - 0 0 36 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.2 0.034 43.4 -56.9 101.8 155.9 10.7 47.3 12.7 327 330 A Q 0 0 73 1,-0.1 -5,-0.0 -4,-0.1 -4,-0.0 -0.606 360.0 360.0 -72.3 123.9 12.6 44.2 14.0 328 331 A T 0 0 32 -2,-0.4 -1,-0.1 -238,-0.0 -240,-0.1 0.403 360.0 360.0 -85.0 360.0 10.6 41.1 13.0 329 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 330 1332 A X 0 0 59 0, 0.0 -246,-0.1 0, 0.0 -48,-0.1 0.000 360.0 360.0 360.0 360.0 16.2 37.5 6.2