==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JAN-13 3ZKY . COMPND 2 MOLECULE: ISOPENICILLIN N SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLA NIDULANS; . AUTHOR A.DARUZZAMAN,I.J.CLIFTON,P.J.RUTLEDGE . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.3 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 . 1 0.3 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 . 33 10.0 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 3 A S 0 0 173 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.3 -13.6 47.5 -0.9 2 4 A V - 0 0 60 1,-0.1 236,-0.1 236,-0.0 234,-0.1 -0.460 360.0-125.5-106.1 135.4 -10.7 46.4 -2.8 3 5 A S - 0 0 77 234,-0.4 236,-2.2 -2,-0.2 2,-0.4 -0.394 33.2-105.9 -72.9 153.3 -10.1 45.2 -6.5 4 6 A K B -a 239 0A 148 234,-0.2 2,-0.2 1,-0.1 236,-0.2 -0.650 34.5-124.9 -74.7 132.3 -8.4 41.8 -7.3 5 7 A A - 0 0 1 234,-3.0 2,-0.8 -2,-0.4 236,-0.3 -0.504 23.2-110.5 -72.5 145.9 -4.9 42.1 -8.6 6 8 A N + 0 0 100 -2,-0.2 31,-0.4 234,-0.1 33,-0.4 -0.663 48.9 161.7 -77.5 108.5 -4.0 40.6 -12.0 7 9 A V - 0 0 20 -2,-0.8 33,-0.2 31,-0.1 -1,-0.1 -0.834 24.8-153.0-130.1 96.1 -1.8 37.7 -11.1 8 10 A P - 0 0 43 0, 0.0 33,-2.9 0, 0.0 2,-0.6 -0.295 14.4-124.1 -70.1 155.5 -1.6 35.2 -14.0 9 11 A K E -f 41 0B 114 31,-0.2 2,-0.5 33,-0.1 33,-0.2 -0.861 30.2-166.3 -96.7 119.6 -0.9 31.5 -13.6 10 12 A I E -f 42 0B 0 31,-3.1 33,-2.5 -2,-0.6 2,-0.9 -0.959 19.6-135.1-113.1 120.2 2.1 30.7 -15.8 11 13 A D E -f 43 0B 67 -2,-0.5 33,-0.2 31,-0.2 31,-0.1 -0.677 25.5-179.5 -71.0 107.6 3.0 27.0 -16.6 12 14 A V > + 0 0 0 31,-2.2 3,-2.1 -2,-0.9 4,-0.3 0.434 48.7 107.2 -93.1 1.3 6.7 27.1 -16.0 13 15 A S G > + 0 0 51 30,-0.4 3,-2.1 1,-0.3 4,-0.3 0.838 69.7 64.0 -57.4 -30.4 7.4 23.5 -16.9 14 16 A P G > S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 5,-0.4 0.796 89.4 69.8 -62.5 -19.6 9.0 24.3 -20.3 15 17 A L G < S+ 0 0 1 -3,-2.1 -2,-0.2 1,-0.3 141,-0.1 0.612 95.1 54.6 -72.7 -11.3 11.8 26.1 -18.4 16 18 A F G < S+ 0 0 107 -3,-2.1 -1,-0.3 -4,-0.3 -3,-0.1 0.533 108.8 57.2 -90.2 -8.8 13.0 22.7 -17.2 17 19 A G S < S- 0 0 31 -3,-1.7 6,-0.0 -4,-0.3 0, 0.0 -0.146 87.0-104.5-113.9-160.3 13.3 21.3 -20.7 18 20 A D S S+ 0 0 144 -2,-0.1 2,-1.1 4,-0.0 -3,-0.1 0.111 73.4 114.6-120.7 22.0 15.0 21.8 -24.1 19 21 A D > - 0 0 95 -5,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.765 44.6-171.4 -96.3 97.9 12.2 23.3 -26.2 20 22 A Q H > S+ 0 0 101 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.882 79.3 50.8 -65.3 -40.7 13.6 26.8 -26.8 21 23 A A H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 110.3 50.5 -59.5 -42.5 10.5 28.3 -28.5 22 24 A A H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.873 108.0 53.2 -64.5 -38.0 8.3 27.0 -25.7 23 25 A K H X S+ 0 0 2 -4,-2.3 4,-2.6 -9,-0.2 -1,-0.2 0.897 106.7 53.3 -63.3 -39.1 10.7 28.6 -23.2 24 26 A M H X S+ 0 0 104 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.901 105.1 53.4 -62.6 -34.9 10.4 31.9 -25.1 25 27 A R H X S+ 0 0 147 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.880 110.4 47.2 -70.0 -30.2 6.6 31.8 -24.8 26 28 A V H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.932 109.2 54.8 -69.2 -41.0 6.9 31.4 -21.0 27 29 A A H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.899 104.2 54.9 -59.8 -37.4 9.5 34.3 -20.9 28 30 A Q H X S+ 0 0 114 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.889 107.4 49.5 -61.3 -39.4 6.9 36.5 -22.7 29 31 A Q H X S+ 0 0 72 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.887 111.0 49.5 -66.4 -39.0 4.4 35.7 -19.9 30 32 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.930 110.7 50.8 -62.9 -42.2 7.0 36.5 -17.3 31 33 A D H X S+ 0 0 15 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.952 111.1 48.5 -60.9 -46.4 7.8 39.8 -19.1 32 34 A A H X S+ 0 0 41 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.911 113.8 44.7 -60.8 -47.6 4.1 40.7 -19.2 33 35 A A H ><>S+ 0 0 4 -4,-2.4 5,-2.5 1,-0.2 3,-0.7 0.924 112.2 52.6 -67.2 -34.5 3.4 40.0 -15.5 34 36 A S H 3<5S+ 0 0 5 -4,-2.9 230,-0.5 1,-0.3 -1,-0.2 0.777 112.0 46.1 -68.4 -28.3 6.7 41.8 -14.5 35 37 A R H 3<5S+ 0 0 138 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.574 118.6 43.8 -86.0 -17.9 5.6 44.9 -16.4 36 38 A D T <<5S- 0 0 95 -4,-0.9 -3,-0.1 -3,-0.7 -2,-0.1 0.551 135.7 -22.1 -97.5-108.6 2.0 44.8 -15.0 37 39 A T T 5S- 0 0 11 -31,-0.4 -3,-0.2 2,-0.2 -4,-0.1 0.682 82.3-121.7 -78.7 -20.5 1.4 44.1 -11.2 38 40 A G S + 0 0 96 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 -0.598 37.3 168.5 -83.7 87.8 5.4 18.7 -3.5 49 51 A V H > + 0 0 14 -2,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.791 69.4 62.2 -79.0 -23.6 4.0 21.7 -1.6 50 52 A Q H > S+ 0 0 127 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 107.8 44.1 -63.3 -43.0 1.5 19.7 0.3 51 53 A R H > S+ 0 0 116 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.912 110.6 55.0 -69.4 -41.0 4.3 17.7 1.9 52 54 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.944 110.8 46.8 -51.2 -47.2 6.3 20.9 2.5 53 55 A S H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.917 112.7 48.5 -65.9 -40.9 3.3 22.3 4.3 54 56 A Q H X S+ 0 0 66 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 112.7 46.3 -67.4 -41.6 2.8 19.2 6.4 55 57 A K H X S+ 0 0 63 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.895 113.8 49.9 -67.8 -37.0 6.4 18.9 7.5 56 58 A T H X S+ 0 0 2 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 0.917 110.2 50.3 -68.0 -40.1 6.5 22.6 8.3 57 59 A K H X S+ 0 0 100 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.921 108.2 52.6 -62.9 -40.6 3.2 22.3 10.4 58 60 A E H X S+ 0 0 95 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.929 113.6 45.0 -64.0 -39.3 4.7 19.4 12.3 59 61 A F H >X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 3,-0.8 0.960 114.8 45.6 -62.1 -53.8 7.8 21.5 13.2 60 62 A H H 3< S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.847 116.0 46.5 -61.4 -35.5 5.9 24.7 14.1 61 63 A M H 3< S+ 0 0 96 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.631 117.4 40.7 -87.0 -13.8 3.4 22.9 16.3 62 64 A S H << S+ 0 0 59 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.651 83.8 105.0-106.1 -15.9 5.9 20.7 18.1 63 65 A I < - 0 0 11 -4,-2.2 70,-0.0 -5,-0.1 -4,-0.0 -0.354 61.7-143.2 -69.2 139.3 8.8 23.0 18.8 64 66 A T > - 0 0 56 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.599 23.3-106.7-103.1 163.4 8.8 24.1 22.5 65 67 A P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.893 120.1 56.4 -55.7 -34.4 9.8 27.4 24.2 66 68 A E H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.945 108.6 45.4 -63.7 -45.1 13.0 25.8 25.4 67 69 A E H > S+ 0 0 14 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 107.3 59.2 -67.2 -34.9 14.0 24.9 21.9 68 70 A K H >X S+ 0 0 28 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.940 107.6 45.3 -61.0 -44.9 13.1 28.3 20.6 69 71 A W H >< S+ 0 0 134 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.943 111.1 54.1 -62.9 -36.4 15.6 30.0 22.9 70 72 A D H 3< S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.742 117.7 35.3 -70.8 -19.4 18.2 27.4 22.1 71 73 A L H << S+ 0 0 10 -4,-1.4 17,-2.5 -3,-0.5 -1,-0.3 0.314 91.6 133.9-105.3 -2.9 17.8 28.2 18.3 72 74 A A B << -h 88 0B 0 -3,-1.2 17,-0.2 -4,-0.6 11,-0.1 -0.235 55.4-121.3 -65.9 143.6 17.2 32.0 18.7 73 75 A I >> - 0 0 3 15,-2.4 3,-2.1 12,-0.1 4,-1.5 -0.246 39.9 -95.3 -66.6 167.0 18.9 34.6 16.5 74 76 A R T 34 S+ 0 0 107 9,-3.2 10,-0.1 6,-0.4 -1,-0.1 0.763 120.2 70.0 -62.1 -26.7 20.9 37.3 18.4 75 77 A A T 34 S+ 0 0 56 8,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.763 115.4 27.8 -61.9 -23.7 18.0 39.8 18.4 76 78 A Y T <4 S+ 0 0 45 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.584 129.7 36.6-107.2 -21.0 16.3 37.4 21.0 77 79 A N >< - 0 0 23 -4,-1.5 3,-2.0 3,-0.1 -1,-0.3 -0.864 59.0-162.2-143.4 105.2 19.3 35.7 22.6 78 80 A K T 3 S+ 0 0 180 -2,-0.4 3,-0.4 1,-0.3 -4,-0.1 0.649 88.3 69.6 -62.5 -16.4 22.5 37.7 23.3 79 81 A E T 3 S+ 0 0 171 1,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.732 89.1 67.2 -76.9 -13.4 24.5 34.5 23.7 80 82 A H X + 0 0 39 -3,-2.0 3,-2.2 1,-0.2 -6,-0.4 -0.358 55.3 154.9-107.3 59.4 24.2 33.8 19.9 81 83 A Q T 3 S+ 0 0 100 -2,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.706 70.6 57.3 -61.6 -23.5 26.2 36.6 18.4 82 84 A D T 3 S+ 0 0 127 -3,-0.2 2,-1.1 1,-0.1 3,-0.3 0.584 88.4 85.3 -79.7 -10.8 26.9 34.6 15.2 83 85 A Q < + 0 0 21 -3,-2.2 -9,-3.2 1,-0.2 -8,-0.3 -0.729 39.2 135.0 -97.0 90.0 23.2 34.2 14.4 84 86 A V S S+ 0 0 71 -2,-1.1 -9,-0.2 -11,-0.2 -1,-0.2 0.878 86.1 8.5 -95.7 -39.5 22.1 37.2 12.6 85 87 A R S S+ 0 0 18 -3,-0.3 2,-0.4 1,-0.1 17,-0.2 0.831 115.1 68.5-106.9 -51.4 20.1 35.5 9.8 86 88 A A S S+ 0 0 0 -4,-0.2 2,-0.3 15,-0.1 17,-0.2 -0.658 81.3 37.5 -89.8 134.3 19.7 31.8 10.6 87 89 A G E S- I 0 102B 0 15,-2.1 15,-2.6 -2,-0.4 2,-0.3 -0.907 91.1 -22.0 132.1-160.4 17.7 30.4 13.5 88 90 A Y E -hI 72 101B 0 -17,-2.5 -15,-2.4 -2,-0.3 2,-0.6 -0.697 37.8-160.4 -94.2 136.4 14.5 31.1 15.4 89 91 A Y E - I 0 100B 25 11,-3.2 11,-2.1 -2,-0.3 2,-0.1 -0.961 27.4-143.0-114.7 105.3 12.6 34.4 15.5 90 92 A L - 0 0 17 -2,-0.6 2,-0.2 9,-0.2 8,-0.1 -0.329 2.9-127.3 -77.7 151.1 10.3 34.3 18.5 91 93 A S - 0 0 27 6,-0.1 6,-0.2 -2,-0.1 8,-0.1 -0.485 14.3-140.1 -76.9 166.9 6.9 35.6 18.9 92 94 A I B >> -O 96 0C 80 4,-2.3 4,-3.1 -2,-0.2 3,-3.1 -0.892 23.3-132.0-129.6 96.4 6.2 37.9 21.9 93 95 A P T 34 S+ 0 0 118 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.233 93.2 20.9 -53.6 140.3 2.7 36.9 23.2 94 96 A G T 34 S+ 0 0 40 1,-0.1 102,-0.3 100,-0.0 103,-0.1 0.186 136.6 37.6 88.2 -15.9 0.5 40.0 23.7 95 97 A K T <4 S+ 0 0 136 -3,-3.1 2,-0.4 1,-0.3 -1,-0.1 0.655 115.9 27.1-135.8 -44.8 2.8 42.0 21.3 96 98 A K B < -O 92 0C 29 -4,-3.1 -4,-2.3 1,-0.1 -1,-0.3 -0.969 54.0-175.8-137.3 117.9 4.1 40.2 18.3 97 99 A A + 0 0 10 -2,-0.4 -1,-0.1 100,-0.2 -6,-0.1 0.893 55.7 82.3 -87.4 -40.6 2.2 37.3 16.8 98 100 A V + 0 0 29 99,-0.1 2,-0.3 110,-0.1 89,-0.2 -0.284 50.8 178.8 -71.1 150.3 4.4 36.0 14.0 99 101 A E E + J 0 186B 9 87,-1.8 87,-3.0 -8,-0.1 2,-0.3 -0.977 5.6 177.9-144.2 156.6 7.3 33.6 14.6 100 102 A S E -IJ 89 185B 4 -11,-2.1 -11,-3.2 -2,-0.3 2,-0.4 -0.984 26.9-138.5-156.5 164.7 9.7 32.0 12.1 101 103 A F E -IJ 88 184B 0 83,-1.6 83,-3.0 -2,-0.3 2,-0.4 -0.991 23.7-166.9-130.4 123.7 12.7 29.8 11.4 102 104 A C E +IJ 87 183B 4 -15,-2.6 -15,-2.1 -2,-0.4 2,-0.3 -0.898 7.4 178.0-112.6 140.6 15.2 30.8 8.8 103 105 A Y E - J 0 182B 2 79,-2.3 79,-2.7 -2,-0.4 2,-0.1 -0.972 10.1-154.7-138.8 157.9 18.0 28.7 7.3 104 106 A L - 0 0 0 -2,-0.3 77,-0.2 77,-0.2 75,-0.1 -0.347 51.8 -32.1-113.3-172.5 20.6 29.4 4.6 105 107 A N > - 0 0 0 75,-0.5 3,-2.2 73,-0.4 20,-0.3 -0.257 49.2-141.5 -48.4 124.3 22.6 27.3 2.1 106 108 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 35,-0.0 0.725 98.6 69.6 -65.4 -15.7 23.3 23.9 3.6 107 109 A N T 3 + 0 0 56 68,-0.3 2,-2.0 1,-0.1 -2,-0.1 0.573 69.7 98.9 -80.2 -3.7 26.8 24.1 2.0 108 110 A F < + 0 0 3 -3,-2.2 17,-0.5 15,-0.1 -1,-0.1 -0.575 58.1 156.8 -80.7 83.2 27.7 26.8 4.5 109 111 A T > - 0 0 51 -2,-2.0 3,-2.0 15,-0.1 6,-0.2 -0.515 61.1 -92.2-100.4 170.0 29.6 24.4 6.8 110 112 A P T 3 S+ 0 0 87 0, 0.0 -2,-0.0 0, 0.0 14,-0.0 0.819 126.4 49.4 -58.8 -27.8 32.3 25.2 9.3 111 113 A D T 3 S+ 0 0 126 4,-0.1 -3,-0.1 5,-0.1 5,-0.0 0.422 79.6 120.4 -89.6 -2.6 35.0 24.5 6.7 112 114 A H S X> S- 0 0 25 -3,-2.0 4,-2.8 1,-0.1 3,-0.8 -0.430 70.8-126.2 -62.4 137.8 33.4 26.7 3.9 113 115 A P H 3> S+ 0 0 100 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.793 109.5 49.9 -59.4 -32.8 35.9 29.5 2.9 114 116 A R H 34>S+ 0 0 62 2,-0.2 5,-2.4 1,-0.2 4,-0.3 0.783 111.5 48.0 -78.0 -26.2 33.3 32.3 3.5 115 117 A I H X45S+ 0 0 27 -3,-0.8 3,-1.0 -6,-0.2 -1,-0.2 0.904 111.2 50.9 -70.9 -44.0 32.5 30.9 7.0 116 118 A Q H 3<5S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.893 112.3 47.1 -59.1 -39.2 36.2 30.6 7.8 117 119 A A T 3<5S- 0 0 71 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.588 107.7-129.0 -80.6 -6.4 36.7 34.3 6.7 118 120 A K T < 5 - 0 0 162 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.873 37.8-174.5 60.9 41.4 33.6 35.3 8.8 119 121 A T > < - 0 0 15 -5,-2.4 3,-1.7 -6,-0.1 -1,-0.2 -0.467 31.3 -99.3 -71.1 133.0 32.2 37.1 5.7 120 122 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 196,-0.1 -0.144 105.4 23.2 -53.3 144.7 29.0 39.1 6.5 121 123 A T T 3 S+ 0 0 20 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.204 98.6 105.9 78.6 -5.9 25.6 37.4 5.6 122 124 A H < + 0 0 15 -3,-1.7 2,-0.3 -8,-0.2 -1,-0.2 -0.888 42.4 157.3-101.3 128.5 27.2 33.8 5.7 123 125 A E - 0 0 17 -2,-0.5 2,-0.5 -18,-0.1 -15,-0.1 -0.975 43.7-110.9-144.0 156.3 26.3 31.6 8.7 124 126 A V - 0 0 61 -2,-0.3 -15,-0.1 -42,-0.1 -38,-0.1 -0.758 46.2-111.8 -82.1 127.9 26.2 27.9 9.6 125 127 A N - 0 0 16 -2,-0.5 2,-0.4 -17,-0.5 -22,-0.1 -0.212 23.2-142.7 -59.2 151.4 22.6 26.8 10.0 126 128 A V - 0 0 35 -55,-0.1 -39,-0.1 0, 0.0 -1,-0.1 -0.885 19.1-170.2-114.0 144.2 21.3 25.8 13.4 127 129 A W - 0 0 39 -2,-0.4 3,-0.1 -24,-0.0 -24,-0.0 -0.958 23.3-109.3-135.8 149.1 18.8 22.9 13.8 128 130 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 9,-0.1 -0.188 59.6 -69.2 -68.6 168.0 16.6 21.4 16.5 129 131 A D > - 0 0 90 1,-0.1 4,-1.6 2,-0.0 3,-0.5 -0.457 39.5-135.9 -61.3 136.0 17.5 18.1 18.1 130 132 A E T 4 S+ 0 0 93 1,-0.2 6,-0.2 2,-0.2 -1,-0.1 0.845 102.9 55.6 -62.2 -36.2 17.0 15.2 15.6 131 133 A T T 4 S+ 0 0 127 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.864 111.7 43.6 -70.4 -28.6 15.3 13.0 18.3 132 134 A K T 4 S+ 0 0 98 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.731 128.7 27.3 -82.0 -28.8 12.7 15.7 19.0 133 135 A H S >< S- 0 0 12 -4,-1.6 3,-2.0 -3,-0.1 4,-0.5 -0.513 85.1-162.2-131.4 66.6 12.1 16.5 15.2 134 136 A P T 3 S+ 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.273 73.9 1.6 -59.7 134.5 13.0 13.3 13.4 135 137 A G T 3> S+ 0 0 31 -5,-0.1 4,-2.6 1,-0.0 5,-0.2 0.311 98.2 113.2 77.8 -6.5 13.6 13.9 9.6 136 138 A F H <> S+ 0 0 15 -3,-2.0 4,-3.0 1,-0.2 5,-0.2 0.940 75.3 45.4 -67.7 -51.1 13.1 17.6 9.9 137 139 A Q H > S+ 0 0 59 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.917 116.4 47.5 -58.2 -45.1 16.7 18.8 9.1 138 140 A D H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 113.8 48.0 -64.3 -43.3 16.9 16.3 6.1 139 141 A F H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 113.0 47.2 -60.3 -45.9 13.5 17.4 4.8 140 142 A A H X S+ 0 0 1 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.877 112.0 48.9 -69.4 -36.5 14.4 21.1 5.1 141 143 A E H X S+ 0 0 44 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.924 112.2 49.0 -69.0 -38.8 17.8 20.7 3.4 142 144 A Q H X S+ 0 0 107 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.897 108.5 54.3 -64.9 -36.4 16.2 18.7 0.6 143 145 A Y H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.917 102.6 57.8 -61.8 -41.9 13.5 21.4 0.2 144 146 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.918 110.1 43.3 -51.4 -48.7 16.3 24.0 -0.1 145 147 A W H X S+ 0 0 69 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.879 111.8 53.6 -73.3 -28.6 17.6 22.1 -3.1 146 148 A D H X S+ 0 0 71 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.949 114.8 40.7 -65.4 -47.9 14.1 21.5 -4.6 147 149 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.855 110.5 58.2 -77.7 -24.3 13.2 25.2 -4.5 148 150 A F H X S+ 0 0 20 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.927 107.0 49.6 -60.9 -43.5 16.8 26.1 -5.7 149 151 A G H X S+ 0 0 30 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.922 112.0 46.5 -65.8 -43.3 16.1 24.0 -8.8 150 152 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.929 112.9 50.9 -59.0 -43.6 12.7 25.7 -9.4 151 153 A S H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.870 106.7 53.5 -66.8 -38.2 14.4 29.1 -8.9 152 154 A S H X S+ 0 0 21 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.928 110.2 47.9 -60.9 -41.8 17.1 28.3 -11.4 153 155 A A H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 3,-0.3 0.939 111.2 50.2 -63.1 -42.7 14.5 27.5 -14.0 154 156 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.911 106.9 55.2 -63.3 -38.4 12.6 30.7 -13.2 155 157 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 14,-0.3 0.853 103.3 55.2 -66.0 -28.1 15.8 32.7 -13.6 156 158 A K H X S+ 0 0 53 -4,-1.7 4,-2.5 -3,-0.3 -1,-0.3 0.909 108.6 49.2 -65.0 -42.8 16.2 31.2 -17.1 157 159 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.924 111.3 48.2 -64.3 -40.9 12.7 32.6 -17.9 158 160 A Y H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.898 110.7 51.5 -63.7 -43.0 13.6 36.1 -16.5 159 161 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 7,-0.3 3,-0.5 0.947 112.2 44.8 -59.0 -49.9 16.8 36.2 -18.5 160 162 A L H ><5S+ 0 0 28 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.874 109.2 57.9 -61.8 -40.2 15.1 35.2 -21.7 161 163 A A H 3<5S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.8 50.6 -57.5 -32.8 12.3 37.8 -20.9 162 164 A L T 3<5S- 0 0 11 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.305 123.8-101.3 -92.3 7.2 15.0 40.6 -20.7 163 165 A G T < 5S+ 0 0 69 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.653 84.4 120.9 87.3 15.7 16.6 39.7 -24.1 164 166 A K S - 0 0 103 -2,-0.2 3,-2.2 1,-0.1 -1,-0.1 -0.450 49.7-106.2 -68.3 153.9 20.9 34.2 -22.8 166 168 A E T 3 S+ 0 0 45 1,-0.3 4,-0.5 2,-0.1 3,-0.4 0.723 116.9 54.8 -66.9 -20.5 19.2 31.9 -20.4 167 169 A N T 3> S+ 0 0 77 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.364 72.5 111.2 -89.1 16.2 22.1 31.6 -18.0 168 170 A F T <4 S+ 0 0 19 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.868 96.9 14.2 -60.9 -41.0 22.4 35.4 -17.5 169 171 A F T >4 S+ 0 0 0 -3,-0.4 3,-2.4 -14,-0.3 -1,-0.2 0.847 122.3 64.1 -93.2 -41.8 21.3 35.3 -13.9 170 172 A A G >4 S+ 0 0 14 -4,-0.5 3,-1.8 1,-0.3 -2,-0.2 0.759 89.8 66.8 -57.6 -33.6 21.6 31.5 -13.3 171 173 A R G 3< S+ 0 0 116 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.1 0.754 104.0 46.3 -60.9 -16.4 25.4 31.6 -13.7 172 174 A H G < S+ 0 0 35 -3,-2.4 115,-0.8 -5,-0.2 2,-0.7 0.320 98.0 79.4-102.4 3.6 25.6 33.6 -10.5 173 175 A F < + 0 0 6 -3,-1.8 -1,-0.1 -4,-0.2 113,-0.1 -0.895 65.0 158.6-116.3 91.7 23.2 31.4 -8.6 174 176 A K >> - 0 0 75 -2,-0.7 4,-2.5 1,-0.1 3,-1.3 -0.923 49.3-125.8-127.9 145.7 25.3 28.4 -7.6 175 177 A P T 34 S+ 0 0 58 0, 0.0 -68,-0.3 0, 0.0 -1,-0.1 0.831 106.6 55.4 -60.5 -33.3 25.0 25.7 -4.9 176 178 A D T 34 S+ 0 0 114 1,-0.2 -3,-0.0 -68,-0.0 -71,-0.0 0.729 126.1 13.7 -75.0 -15.2 28.4 26.3 -3.4 177 179 A D T <4 S+ 0 0 45 -3,-1.3 111,-0.4 -69,-0.0 -1,-0.2 0.501 78.7 135.2-140.1 -4.2 27.9 30.0 -2.7 178 180 A T < - 0 0 0 -4,-2.5 -73,-0.4 1,-0.2 109,-0.2 -0.230 41.0-152.5 -61.9 141.4 24.3 31.3 -3.0 179 181 A L + 0 0 0 107,-2.2 107,-0.2 106,-0.1 -1,-0.2 0.277 49.6 138.4 -88.2 9.7 23.1 33.6 -0.2 180 182 A A - 0 0 0 105,-0.7 -75,-0.5 -76,-0.1 2,-0.3 -0.194 35.8-158.7 -60.4 148.8 19.5 32.4 -0.7 181 183 A S E - K 0 283B 6 102,-1.2 102,-2.3 -77,-0.2 2,-0.4 -0.935 14.6-147.0-130.0 150.4 17.4 31.8 2.4 182 184 A V E -JK 103 282B 0 -79,-2.7 -79,-2.3 -2,-0.3 2,-0.5 -0.947 15.6-166.4-106.3 136.1 14.3 29.8 3.3 183 185 A V E -J 102 0B 19 98,-2.2 2,-0.9 -2,-0.4 -81,-0.2 -0.988 10.0-158.2-123.8 125.9 12.0 31.2 6.0 184 186 A L E -J 101 0B 2 -83,-3.0 -83,-1.6 -2,-0.5 2,-0.5 -0.849 21.9-169.7-101.2 95.3 9.3 29.1 7.6 185 187 A I E -JL 100 279B 28 94,-2.4 94,-2.1 -2,-0.9 2,-0.6 -0.796 11.4-159.8 -96.0 129.3 6.8 31.7 8.9 186 188 A R E -JL 99 278B 44 -87,-3.0 -87,-1.8 -2,-0.5 92,-0.2 -0.933 4.0-170.5-102.3 120.7 4.0 30.8 11.3 187 189 A Y E - L 0 277B 20 90,-2.5 90,-2.7 -2,-0.6 2,-0.1 -0.960 25.6-144.8-106.4 121.1 1.1 33.3 11.5 188 190 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 87,-0.5 -0.449 13.6-124.3 -87.5 153.8 -1.1 32.1 14.4 189 191 A Y - 0 0 123 85,-0.2 2,-0.4 -2,-0.1 85,-0.1 -0.832 39.3-176.3 -80.6 130.2 -4.8 32.0 15.1 190 192 A L - 0 0 56 -2,-0.5 3,-0.2 4,-0.0 -93,-0.0 -0.998 20.8-138.7-134.4 134.7 -5.2 33.9 18.5 191 193 A D S S+ 0 0 131 1,-0.4 2,-0.1 -2,-0.4 -2,-0.0 -0.931 101.4 21.5-134.5 104.3 -8.3 34.4 20.6 192 194 A P S S- 0 0 115 0, 0.0 -1,-0.4 0, 0.0 -3,-0.0 0.591 94.0-147.8 -83.8 157.4 -8.2 37.2 21.6 193 195 A Y - 0 0 26 -3,-0.2 2,-0.2 -2,-0.1 5,-0.1 -0.809 24.1-118.2 -90.7 121.4 -5.8 38.7 19.0 194 196 A P > - 0 0 17 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.450 8.7-143.1 -73.2 133.4 -3.7 41.4 20.7 195 197 A E G > S+ 0 0 145 1,-0.3 3,-2.0 -2,-0.2 -100,-0.1 0.817 98.2 67.3 -56.9 -36.9 -4.2 44.8 19.2 196 198 A A G 3 S+ 0 0 51 -102,-0.3 -1,-0.3 1,-0.3 -101,-0.1 0.808 97.3 53.7 -60.4 -18.6 -0.5 45.5 19.7 197 199 A A G < S+ 0 0 10 -3,-1.8 2,-0.5 -103,-0.1 -1,-0.3 0.369 96.7 81.9 -94.6 6.5 0.4 42.9 17.1 198 200 A I < - 0 0 31 -3,-2.0 2,-0.2 -4,-0.1 10,-0.2 -0.936 64.6-160.0-113.7 125.8 -1.9 44.6 14.5 199 201 A K E -B 207 0A 80 8,-2.9 8,-3.0 -2,-0.5 2,-0.5 -0.640 9.9-138.2 -97.2 161.1 -0.6 47.5 12.5 200 202 A T E -B 206 0A 95 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.981 11.4-141.1-126.1 124.6 -2.9 50.0 10.7 201 203 A A > - 0 0 6 4,-2.8 3,-2.5 -2,-0.5 9,-0.0 -0.232 33.1-104.0 -75.0 164.7 -2.1 51.3 7.2 202 204 A A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.876 124.5 54.8 -61.3 -29.9 -2.8 55.0 6.3 203 205 A D T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.409 124.2-104.1 -82.1 5.0 -5.9 53.8 4.4 204 206 A G S < S+ 0 0 47 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.311 71.4 146.0 93.2 -6.6 -7.2 52.0 7.5 205 207 A T - 0 0 31 -5,-0.1 -4,-2.8 1,-0.1 2,-0.4 -0.434 50.7-124.2 -68.6 131.2 -6.3 48.5 6.5 206 208 A K E -B 200 0A 117 -6,-0.2 66,-2.3 -2,-0.2 2,-0.3 -0.674 38.2-171.0 -75.5 128.0 -5.3 46.2 9.4 207 209 A L E -BC 199 271A 0 -8,-3.0 -8,-2.9 -2,-0.4 64,-0.3 -0.885 39.9-164.5-123.5 150.1 -1.9 44.7 8.7 208 210 A S E S+ 0 0 15 62,-2.9 2,-0.3 1,-0.4 63,-0.2 0.654 93.7 18.1 -96.6 -25.8 0.5 42.1 10.0 209 211 A F E S- C 0 270A 26 61,-1.7 61,-2.3 -10,-0.1 -1,-0.4 -0.985 83.3-125.4-146.9 133.0 3.5 43.6 8.0 210 212 A E E - 0 0 43 -2,-0.3 58,-0.1 116,-0.2 116,-0.1 -0.091 44.7 -63.7 -72.0 170.8 3.8 47.0 6.4 211 213 A W E + 0 0 115 58,-0.1 2,-0.3 56,-0.1 58,-0.2 -0.174 67.9 143.1 -57.3 142.5 4.5 48.0 2.8 212 214 A H E - C 0 268A 16 56,-1.7 56,-2.2 -3,-0.1 2,-0.4 -0.981 47.1-117.8-165.6 164.7 7.9 47.1 1.4 213 215 A E - 0 0 77 -2,-0.3 54,-0.1 54,-0.2 39,-0.1 -0.891 46.1-104.9-101.7 147.6 9.9 45.9 -1.5 214 216 A D - 0 0 10 37,-0.4 39,-2.8 52,-0.4 2,-1.1 -0.422 15.1-131.9 -73.9 145.9 11.7 42.6 -1.1 215 217 A V S S+ 0 0 15 37,-0.2 2,-0.3 38,-0.1 3,-0.1 -0.855 75.1 83.2 -94.1 92.9 15.5 42.3 -0.6 216 218 A S S S- 0 0 0 -2,-1.1 38,-1.9 1,-0.2 39,-0.7 -0.967 84.5-114.5-172.4 166.9 16.1 39.7 -3.2 217 219 A L S S- 0 0 0 67,-2.7 35,-2.4 1,-0.6 38,-0.4 0.891 105.1 -17.4 -75.1 -61.5 16.7 39.1 -7.0 218 220 A I E -MN 251 284B 0 66,-0.8 66,-2.6 33,-0.3 -1,-0.6 -0.922 67.4-135.8-134.8 162.3 13.3 37.2 -7.0 219 221 A T E -MN 250 283B 3 31,-2.8 31,-1.5 -2,-0.3 2,-0.5 -0.977 9.4-162.4-121.9 135.5 11.2 35.8 -4.3 220 222 A V E -MN 249 282B 0 62,-2.6 62,-1.6 -2,-0.4 2,-0.5 -0.942 22.1-173.2-125.3 102.3 9.6 32.3 -4.7 221 223 A L E -MN 248 281B 15 27,-2.8 27,-3.0 -2,-0.5 2,-0.5 -0.877 23.2-168.1-116.6 128.7 6.8 32.0 -2.1 222 224 A Y E + N 0 280B 9 58,-1.7 58,-3.2 -2,-0.5 2,-0.3 -0.908 22.3 173.1-102.5 136.4 4.5 29.2 -1.0 223 225 A Q E - N 0 279B 14 -2,-0.5 56,-0.2 23,-0.4 20,-0.2 -0.983 33.9-100.5-134.3 152.7 1.5 30.3 1.3 224 226 A S - 0 0 21 54,-2.0 2,-2.0 -2,-0.3 19,-0.2 -0.164 49.7 -91.5 -55.5 167.6 -1.5 28.6 2.7 225 227 A N S S+ 0 0 105 17,-0.1 2,-0.4 19,-0.1 -1,-0.1 -0.428 91.0 110.3 -85.6 59.1 -4.9 29.1 1.1 226 228 A V S S- 0 0 40 -2,-2.0 17,-0.1 49,-0.0 2,-0.1 -0.945 70.7-125.0-132.3 117.1 -5.9 32.2 3.2 227 229 A Q + 0 0 42 -2,-0.4 14,-0.1 1,-0.2 -2,-0.1 -0.402 56.8 128.5 -66.1 138.1 -6.0 35.5 1.3 228 230 A N + 0 0 2 12,-0.5 43,-2.9 1,-0.1 2,-0.2 0.462 35.1 97.7-159.2 -26.3 -3.7 38.2 2.8 229 231 A L E -D 270 0A 9 11,-0.4 11,-2.6 41,-0.2 2,-0.3 -0.492 43.0-171.7 -83.9 148.5 -1.3 39.8 0.4 230 232 A Q E -DE 269 239A 2 39,-2.4 39,-2.3 9,-0.2 2,-0.4 -0.994 8.3-153.4-134.6 147.3 -1.9 43.1 -1.4 231 233 A V E -DE 268 238A 0 7,-2.3 7,-2.6 -2,-0.3 2,-0.5 -0.938 18.6-126.5-118.5 134.1 0.1 44.9 -4.1 232 234 A E E + E 0 237A 92 35,-2.7 35,-0.3 -2,-0.4 2,-0.2 -0.717 39.2 166.1 -78.5 126.7 0.3 48.6 -4.7 233 235 A T E > - E 0 236A 35 3,-1.9 3,-2.0 -2,-0.5 -196,-0.1 -0.729 56.5 -89.8-125.8 176.5 -0.6 49.4 -8.3 234 236 A A T 3 S+ 0 0 121 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.799 129.9 54.3 -57.9 -27.1 -1.5 52.7 -10.1 235 237 A A T 3 S- 0 0 83 1,-0.3 -1,-0.3 -232,-0.0 -232,-0.2 0.198 123.5-100.8 -92.0 14.2 -5.2 51.9 -9.2 236 238 A G E < - E 0 233A 32 -3,-2.0 -3,-1.9 -234,-0.1 -1,-0.3 -0.451 67.9 -19.8 104.3-170.3 -4.3 51.5 -5.5 237 239 A Y E - E 0 232A 41 -5,-0.2 -234,-0.4 -2,-0.1 2,-0.3 -0.505 65.8-170.0 -73.2 135.3 -3.7 48.5 -3.3 238 240 A Q E - E 0 231A 29 -7,-2.6 -7,-2.3 -2,-0.2 2,-0.3 -0.954 23.4-107.3-127.6 150.4 -5.2 45.3 -4.8 239 241 A D E -aE 4 230A 25 -236,-2.2 -234,-3.0 -2,-0.3 2,-0.6 -0.589 20.5-143.4 -82.4 131.7 -5.7 41.9 -3.3 240 242 A I - 0 0 3 -11,-2.6 -12,-0.5 -2,-0.3 -11,-0.4 -0.849 25.3-127.0 -86.8 115.8 -3.6 39.0 -4.4 241 243 A E - 0 0 71 -2,-0.6 2,-0.2 -236,-0.3 -15,-0.0 -0.342 23.9-116.0 -62.6 146.1 -5.7 35.8 -4.5 242 244 A A + 0 0 24 -17,-0.1 2,-0.2 -2,-0.0 -17,-0.1 -0.483 32.4 176.5 -79.4 152.4 -4.3 32.9 -2.6 243 245 A D > - 0 0 25 -19,-0.2 3,-1.1 -20,-0.2 -20,-0.3 -0.654 11.2-171.8-155.3 102.0 -3.3 29.6 -4.4 244 246 A D T 3 S+ 0 0 57 1,-0.3 -19,-0.1 -2,-0.2 -2,-0.0 0.378 84.1 60.2 -83.3 15.3 -1.8 26.9 -2.2 245 247 A T T 3 S+ 0 0 87 -21,-0.1 -1,-0.3 -196,-0.0 2,-0.2 0.574 103.6 50.1-105.9 -21.1 -0.9 24.8 -5.2 246 248 A G S < S- 0 0 1 -3,-1.1 2,-0.5 -23,-0.1 -23,-0.4 -0.595 81.9-111.7-111.5 172.0 1.4 27.3 -7.0 247 249 A Y E -G 42 0B 0 -205,-2.1 -205,-3.1 -2,-0.2 2,-0.5 -0.948 25.8-134.5-103.8 131.0 4.3 29.5 -6.0 248 250 A L E -GM 41 221B 2 -27,-3.0 -27,-2.8 -2,-0.5 2,-0.4 -0.756 27.6-165.2 -84.9 125.6 3.8 33.3 -6.0 249 251 A I E +GM 40 220B 0 -209,-3.0 -209,-1.8 -2,-0.5 2,-0.3 -0.927 17.2 155.5-115.8 140.7 6.8 34.9 -7.7 250 252 A N E -GM 39 219B 2 -31,-1.5 -31,-2.8 -2,-0.4 2,-0.2 -0.981 38.4-102.5-151.9 163.2 7.9 38.6 -7.7 251 253 A C E - M 0 218B 2 -213,-0.6 -37,-0.4 13,-0.4 -33,-0.3 -0.549 27.9-145.6 -81.4 149.0 11.0 40.6 -8.2 252 254 A G >> - 0 0 0 -35,-2.4 4,-1.5 -2,-0.2 3,-0.7 -0.499 38.1 -87.8-102.2-179.8 13.1 42.2 -5.5 253 255 A S H 3> S+ 0 0 31 -39,-2.8 4,-2.2 1,-0.3 -36,-0.1 0.675 121.3 64.1 -69.7 -19.5 15.0 45.4 -5.5 254 256 A Y H 3> S+ 0 0 0 -38,-1.9 4,-2.6 -40,-0.2 -1,-0.3 0.910 103.8 48.7 -69.7 -37.3 18.2 43.9 -7.0 255 257 A M H <> S+ 0 0 0 -3,-0.7 4,-1.9 -39,-0.7 8,-0.3 0.909 109.8 52.4 -63.5 -38.9 16.2 43.0 -10.2 256 258 A A H <>S+ 0 0 6 -4,-1.5 5,-3.1 1,-0.2 4,-0.4 0.916 111.0 47.8 -62.9 -42.4 14.8 46.6 -10.2 257 259 A H H ><5S+ 0 0 28 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.952 112.5 47.5 -61.0 -49.4 18.4 47.9 -9.9 258 260 A L H 3<5S+ 0 0 0 -4,-2.6 37,-2.8 1,-0.2 -1,-0.2 0.781 118.7 40.3 -64.4 -30.1 19.8 45.7 -12.7 259 261 A T T ><5S- 0 0 0 -4,-1.9 3,-1.7 4,-0.2 -1,-0.2 0.279 110.5-116.7-102.9 9.8 16.9 46.5 -15.1 260 262 A N T < 5S- 0 0 42 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.902 76.4 -53.3 51.1 46.6 16.8 50.3 -14.2 261 263 A N T 3 - 0 0 2 -115,-0.8 3,-1.2 -109,-0.2 25,-0.4 -0.472 49.0-104.4 -83.3 165.1 26.8 35.0 -4.3 288 290 A Y T 3 S+ 0 0 36 -111,-0.4 24,-2.2 1,-0.3 25,-0.3 0.883 120.4 35.8 -57.6 -37.6 28.6 37.6 -2.2 289 291 A D T 3 S+ 0 0 107 22,-0.2 -1,-0.3 21,-0.1 2,-0.1 0.347 86.0 128.8 -97.1 0.3 30.8 38.8 -5.0 290 292 A S < + 0 0 10 -3,-1.2 21,-2.8 -118,-0.1 2,-0.4 -0.390 32.1 178.2 -62.2 125.9 28.3 38.4 -7.8 291 293 A V - 0 0 60 19,-0.2 2,-0.5 -2,-0.1 19,-0.2 -0.991 11.6-169.5-132.0 125.1 28.0 41.6 -9.8 292 294 A I - 0 0 2 17,-0.5 17,-0.4 -2,-0.4 3,-0.1 -0.976 29.9-118.3-110.3 126.1 25.8 42.0 -12.8 293 295 A D - 0 0 115 -2,-0.5 14,-0.1 15,-0.1 -2,-0.0 -0.523 35.0-116.3 -63.3 126.1 26.3 45.1 -14.9 294 296 A P + 0 0 20 0, 0.0 10,-0.5 0, 0.0 2,-0.3 -0.291 40.4 175.1 -64.5 149.3 23.1 47.2 -14.9 295 297 A F - 0 0 14 -37,-2.8 8,-0.2 8,-0.2 7,-0.1 -0.826 27.9-131.8-144.5 174.4 21.3 47.7 -18.1 296 298 A D > - 0 0 7 6,-1.9 3,-1.8 -2,-0.3 6,-0.3 -0.838 6.8-166.9-139.2 102.9 18.1 49.2 -19.5 297 299 A P T 3 S+ 0 0 47 0, 0.0 -37,-0.1 0, 0.0 -1,-0.1 0.457 89.0 62.1 -70.8 -2.6 15.9 47.1 -21.9 298 300 A R T 3 S+ 0 0 127 4,-0.1 3,-0.0 3,-0.0 -2,-0.0 0.544 91.1 79.7 -91.6 -9.7 13.9 50.2 -22.8 299 301 A E S X S- 0 0 96 -3,-1.8 3,-1.8 1,-0.1 -3,-0.2 -0.839 81.1-129.3-101.9 138.5 16.9 52.0 -24.3 300 302 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.843 110.6 38.7 -48.7 -42.1 18.2 51.3 -27.8 301 303 A N T 3 S- 0 0 114 2,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.453 105.2-127.9 -92.3 0.8 21.9 50.8 -26.6 302 304 A G < + 0 0 24 -3,-1.8 -6,-1.9 -6,-0.3 2,-0.1 0.543 58.1 146.8 70.9 6.7 20.8 49.0 -23.4 303 305 A K - 0 0 152 -8,-0.2 2,-0.3 -7,-0.1 -1,-0.2 -0.462 30.3-161.7 -85.5 150.2 22.9 51.4 -21.3 304 306 A S - 0 0 21 -10,-0.5 -8,-0.1 2,-0.2 -44,-0.0 -0.953 25.2-137.0-125.9 153.1 21.9 52.5 -17.8 305 307 A D S S+ 0 0 180 -2,-0.3 2,-0.3 -10,-0.1 -10,-0.0 0.071 72.5 110.6 -96.9 27.6 23.0 55.4 -15.6 306 308 A R - 0 0 92 -49,-0.1 -2,-0.2 -48,-0.1 3,-0.1 -0.769 68.9-122.8 -97.8 142.0 23.2 53.0 -12.5 307 309 A E - 0 0 169 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.609 36.2 -99.6 -79.5 139.6 26.6 52.0 -10.8 308 310 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 -0.354 40.7-162.5 -52.6 140.8 27.3 48.2 -10.5 309 311 A L - 0 0 55 -17,-0.4 -17,-0.5 -55,-0.1 2,-0.1 -0.993 15.4-127.3-134.1 121.4 26.5 46.9 -7.0 310 312 A S > - 0 0 22 -2,-0.4 4,-2.7 -19,-0.2 -19,-0.2 -0.417 21.3-124.9 -65.8 147.7 27.8 43.5 -5.6 311 313 A Y H > S+ 0 0 0 -21,-2.8 4,-3.3 -24,-0.3 5,-0.2 0.914 110.1 55.5 -63.7 -37.2 25.2 41.3 -4.3 312 314 A G H > S+ 0 0 0 -24,-2.2 4,-2.4 -25,-0.4 -1,-0.2 0.880 109.6 46.6 -58.7 -41.8 26.8 41.0 -0.9 313 315 A D H > S+ 0 0 79 -25,-0.3 4,-2.3 2,-0.2 5,-0.3 0.938 114.6 48.2 -64.2 -48.6 26.8 44.8 -0.6 314 316 A Y H X S+ 0 0 19 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.919 114.2 45.3 -52.2 -50.0 23.2 44.9 -1.7 315 317 A L H X S+ 0 0 0 -4,-3.3 4,-2.3 -5,-0.2 5,-0.3 0.943 112.5 48.3 -69.5 -48.2 22.1 42.2 0.7 316 318 A Q H X S+ 0 0 54 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.952 116.7 43.6 -57.3 -47.2 23.9 43.4 3.8 317 319 A N H X S+ 0 0 112 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 115.2 49.5 -67.3 -37.3 22.6 47.0 3.4 318 320 A G H X S+ 0 0 14 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.831 105.6 53.0 -72.7 -35.9 19.1 45.8 2.5 319 321 A L H X S+ 0 0 49 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.932 112.2 47.5 -66.2 -43.3 18.5 43.4 5.4 320 322 A V H X S+ 0 0 83 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.938 112.4 49.3 -58.6 -47.3 19.5 46.1 7.9 321 323 A S H X S+ 0 0 71 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.851 108.1 52.1 -63.1 -36.7 17.2 48.7 6.2 322 324 A L H X S+ 0 0 46 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.902 110.1 49.1 -68.9 -38.6 14.2 46.5 6.1 323 325 A I H X S+ 0 0 71 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.942 113.2 48.5 -60.5 -46.9 14.6 45.8 9.9 324 326 A N H < S+ 0 0 129 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.936 118.2 39.5 -59.2 -43.4 14.9 49.5 10.4 325 327 A K H < S+ 0 0 88 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.920 131.9 19.7 -72.3 -46.6 11.8 50.3 8.3 326 328 A N H < S- 0 0 17 -4,-2.8 -116,-0.2 -5,-0.2 -3,-0.2 0.339 108.8-104.1-116.3 6.0 9.4 47.5 9.2 327 329 A G < - 0 0 38 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.185 45.6 -57.4 92.3 152.3 10.7 46.1 12.6 328 330 A Q 0 0 68 1,-0.1 -5,-0.0 -4,-0.1 -4,-0.0 -0.589 360.0 360.0 -67.1 119.9 12.5 43.1 13.8 329 331 A T 0 0 58 -2,-0.4 -1,-0.1 -238,-0.0 -240,-0.1 0.395 360.0 360.0 -78.1 360.0 10.6 39.9 12.6