==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-JUL-01 1JIJ . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR X.QIU,C.A.JANSON,W.W.SMITH,R.L.JARVEST . 319 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 0 1 3 2 1 0 0 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A T 0 0 147 0, 0.0 26,-0.0 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 112.5 -12.6 7.8 115.3 2 3 A N > + 0 0 68 25,-0.0 4,-0.6 27,-0.0 26,-0.1 0.249 360.0 122.8 169.0 33.7 -14.9 9.3 112.6 3 4 A V H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.1 5,-0.2 0.862 72.3 57.9 -79.5 -35.6 -14.7 13.0 112.6 4 5 A L H > S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.962 105.5 49.9 -59.3 -51.0 -13.6 13.5 109.0 5 6 A I H > S+ 0 0 12 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.812 108.9 61.3 -56.3 -24.9 -16.7 11.7 107.8 6 7 A E H < S+ 0 0 101 -4,-0.6 3,-0.4 2,-0.2 -2,-0.2 0.938 108.1 34.0 -69.2 -50.2 -18.3 14.1 110.1 7 8 A D H >X S+ 0 0 33 -4,-1.8 4,-2.9 -3,-0.3 3,-0.8 0.816 109.5 63.2 -80.0 -27.0 -17.3 17.5 108.5 8 9 A L H 3<>S+ 0 0 2 -4,-2.1 5,-1.1 1,-0.3 6,-0.2 0.720 112.4 39.4 -66.2 -24.0 -17.4 16.3 104.9 9 10 A K T 3<5S+ 0 0 116 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.413 114.1 52.2-105.2 -1.8 -21.1 15.7 105.4 10 11 A W T <45S+ 0 0 91 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.2 0.857 112.4 45.6 -89.6 -52.7 -21.8 18.8 107.5 11 12 A R T <5S- 0 0 21 -4,-2.9 -2,-0.1 257,-0.1 -3,-0.1 0.472 117.4-123.2 -63.3 -8.0 -20.1 20.9 104.9 12 13 A G T 5 + 0 0 34 -5,-0.2 -3,-0.2 1,-0.1 -1,-0.1 0.539 64.1 142.2 74.8 14.3 -22.2 18.9 102.4 13 14 A L < + 0 0 1 -5,-1.1 2,-0.6 -6,-0.3 -4,-0.2 0.193 42.3 93.6 -72.1 17.5 -19.4 17.6 100.2 14 15 A I + 0 0 47 -6,-0.2 206,-0.2 206,-0.2 3,-0.1 -0.798 31.7 158.4-120.8 96.8 -20.9 14.1 99.7 15 16 A Y S S- 0 0 124 204,-2.4 2,-0.2 -2,-0.6 205,-0.2 0.818 73.0 -22.6 -78.0 -39.3 -23.0 13.6 96.5 16 17 A Q E -A 219 0A 54 203,-1.1 203,-1.7 3,-0.0 2,-0.3 -0.874 45.1-157.9-175.3 146.7 -22.5 9.8 96.5 17 18 A Q E -A 218 0A 39 -2,-0.2 3,-0.4 201,-0.2 201,-0.2 -0.889 23.4-136.8-120.9 152.6 -20.5 6.8 97.6 18 19 A T S S+ 0 0 53 199,-1.4 2,-0.4 -2,-0.3 -1,-0.1 0.927 103.7 15.3 -73.1 -48.1 -20.6 3.5 95.8 19 20 A D S > S- 0 0 69 198,-0.2 4,-2.0 1,-0.2 -1,-0.3 -0.866 75.8-170.7-132.4 91.3 -20.7 1.6 99.1 20 21 A E H >> S+ 0 0 129 -2,-0.4 4,-2.5 -3,-0.4 3,-0.7 0.928 84.5 40.8 -44.9 -68.1 -21.6 4.0 102.0 21 22 A Q H 3> S+ 0 0 120 1,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.888 112.2 55.8 -52.6 -49.3 -20.9 1.8 104.9 22 23 A G H 3> S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.813 111.5 43.2 -55.3 -37.9 -17.8 0.3 103.5 23 24 A I H < S+ 0 0 82 -4,-3.4 3,-1.6 1,-0.2 -2,-0.2 0.934 108.9 39.7 -54.9 -71.0 -15.6 1.7 107.8 26 27 A L H >X S+ 0 0 13 -4,-1.7 4,-2.2 1,-0.3 3,-1.0 0.728 111.3 62.3 -58.6 -20.6 -12.1 1.8 106.4 27 28 A L H 3< S+ 0 0 11 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.792 105.6 45.6 -73.6 -25.7 -12.1 5.5 107.0 28 29 A N T << S+ 0 0 41 -3,-1.6 -1,-0.2 -4,-0.9 -2,-0.2 -0.074 127.0 28.1-105.1 29.9 -12.5 4.8 110.8 29 30 A K T <4 S+ 0 0 187 -3,-1.0 2,-0.3 1,-0.6 -2,-0.2 0.389 116.7 33.0-148.8 -58.6 -9.8 2.1 110.8 30 31 A E S < S- 0 0 68 -4,-2.2 2,-1.1 -5,-0.2 -1,-0.6 -0.768 80.0-105.8-113.5 158.8 -7.1 2.5 108.3 31 32 A Q - 0 0 145 -2,-0.3 -4,-0.1 -3,-0.1 32,-0.1 -0.766 46.5-144.5 -85.4 96.9 -5.4 5.5 106.7 32 33 A V - 0 0 3 -2,-1.1 33,-1.0 -6,-0.1 154,-0.1 0.072 7.4-138.4 -54.8 169.8 -6.9 5.5 103.2 33 34 A T E +b 65 0A 12 152,-0.2 154,-0.4 31,-0.2 155,-0.3 -0.519 31.1 176.9-131.9 67.7 -5.1 6.5 100.0 34 35 A L E -b 66 0A 0 31,-0.6 33,-1.0 152,-0.2 2,-0.3 -0.489 4.1-173.1 -83.3 148.1 -7.5 8.6 97.9 35 36 A Y E -bc 67 189A 6 153,-1.6 155,-2.2 31,-0.3 2,-0.3 -0.799 11.8-172.5-133.3 165.2 -6.7 10.3 94.6 36 37 A C E -b 68 0A 8 31,-2.3 33,-2.8 -2,-0.3 2,-0.3 -0.964 10.9-169.4-149.9 163.1 -8.1 12.6 92.0 37 38 A G E -b 69 0A 36 153,-0.3 2,-0.3 -2,-0.3 33,-0.2 -0.977 13.3-159.1-155.7 169.8 -7.1 13.8 88.5 38 39 A A E -b 70 0A 20 31,-2.2 33,-3.0 -2,-0.3 37,-0.1 -0.989 22.9-124.3-152.2 139.0 -7.6 16.1 85.7 39 40 A D - 0 0 22 -2,-0.3 2,-2.4 31,-0.2 33,-0.1 -0.631 34.3-110.7 -83.4 149.3 -6.6 16.1 82.0 40 41 A P + 0 0 0 0, 0.0 58,-0.2 0, 0.0 59,-0.1 -0.211 63.1 144.5 -74.6 52.2 -4.6 19.0 80.6 41 42 A T S S+ 0 0 73 -2,-2.4 2,-0.3 57,-0.1 54,-0.1 0.310 75.5 10.2 -74.7 12.3 -7.4 20.4 78.6 42 43 A A S S- 0 0 25 53,-0.1 60,-0.4 -3,-0.1 59,-0.1 -0.933 80.9-109.3-171.0 172.4 -6.1 23.9 79.4 43 44 A D S S+ 0 0 69 -2,-0.3 2,-0.3 58,-0.1 -2,-0.0 0.195 99.4 39.7-106.3 24.7 -2.9 25.4 81.0 44 45 A S S S- 0 0 2 57,-0.1 58,-0.1 198,-0.0 -1,-0.1 -0.960 77.4-124.2-164.5 146.0 -4.7 26.5 84.1 45 46 A L - 0 0 1 -2,-0.3 196,-1.0 56,-0.1 197,-0.3 -0.255 24.9-143.7 -84.6 177.9 -7.4 25.1 86.4 46 47 A H B > -F 240 0B 56 194,-0.2 3,-3.6 195,-0.1 4,-0.4 -0.944 35.1 -90.4-140.6 158.8 -10.6 27.1 87.2 47 48 A I G >> S+ 0 0 1 192,-1.7 4,-0.9 -2,-0.3 3,-0.8 0.659 120.4 71.7 -48.2 -16.1 -12.7 27.4 90.4 48 49 A G G 34 S+ 0 0 33 1,-0.3 -1,-0.3 2,-0.2 175,-0.1 0.825 100.6 46.3 -69.4 -25.2 -14.7 24.4 89.2 49 50 A H G <> S+ 0 0 53 -3,-3.6 4,-1.3 1,-0.2 -1,-0.3 0.456 95.3 80.5 -91.2 -6.3 -11.6 22.3 90.0 50 51 A L H <> S+ 0 0 0 -3,-0.8 4,-1.4 -4,-0.4 5,-0.2 0.947 87.3 52.5 -67.4 -51.1 -11.2 24.1 93.4 51 52 A L H >X S+ 0 0 4 -4,-0.9 3,-2.4 1,-0.2 4,-2.0 0.959 110.2 45.1 -49.7 -74.9 -13.8 22.1 95.3 52 53 A P H 3> S+ 0 0 18 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.767 113.7 48.1 -40.6 -48.7 -12.5 18.5 94.4 53 54 A F H 3X S+ 0 0 6 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.742 111.4 52.0 -69.3 -21.4 -8.8 19.2 95.0 54 55 A L H XX S+ 0 0 1 -3,-2.4 4,-1.9 -4,-1.4 3,-1.8 0.942 102.0 58.0 -75.3 -49.2 -9.7 20.9 98.4 55 56 A T H 3X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.3 -2,-0.2 0.752 100.1 60.2 -50.6 -23.7 -11.7 17.8 99.5 56 57 A L H 3X S+ 0 0 0 -4,-0.8 4,-2.8 -5,-0.3 -1,-0.3 0.896 104.6 48.2 -72.7 -33.6 -8.4 16.0 98.9 57 58 A R H <>S+ 0 0 0 -4,-1.6 3,-2.2 -5,-0.2 5,-0.7 0.996 111.0 52.7 -64.0 -64.7 -8.8 14.0 103.7 60 61 A Q H ><5S+ 0 0 47 -4,-2.8 3,-0.5 1,-0.3 -2,-0.2 0.757 96.5 74.8 -41.7 -33.0 -5.0 14.5 103.9 61 62 A E H 3<5S+ 0 0 115 -4,-3.3 2,-1.4 1,-0.3 -1,-0.3 0.890 94.2 47.9 -48.2 -51.9 -5.8 16.5 107.0 62 63 A H T <<5S- 0 0 72 -3,-2.2 2,-0.5 -4,-0.8 -1,-0.3 -0.486 131.4 -77.1 -92.3 67.8 -6.5 13.4 109.1 63 64 A G T < 5S+ 0 0 46 -2,-1.4 -3,-0.2 -3,-0.5 -2,-0.1 0.232 94.8 123.5 69.6 -22.1 -3.5 11.2 108.3 64 65 A H < - 0 0 16 -5,-0.7 -31,-0.2 -2,-0.5 -1,-0.1 0.043 55.5-123.1 -66.2 177.8 -4.8 10.0 104.9 65 66 A R E -b 33 0A 65 -33,-1.0 -31,-0.6 -3,-0.1 2,-0.4 -0.945 14.4-154.4-127.7 142.7 -2.9 10.4 101.6 66 67 A P E -b 34 0A 0 0, 0.0 53,-1.3 0, 0.0 2,-0.5 -0.939 0.9-159.1-118.9 147.4 -3.8 12.1 98.3 67 68 A I E -bd 35 119A 0 -33,-1.0 -31,-2.3 -2,-0.4 2,-0.7 -0.994 8.0-153.1-121.1 123.3 -2.6 11.3 94.8 68 69 A V E -bd 36 120A 0 51,-3.3 53,-2.0 -2,-0.5 2,-0.4 -0.890 12.3-165.9-102.2 112.5 -2.8 14.0 92.1 69 70 A L E -bd 37 121A 7 -33,-2.8 -31,-2.2 -2,-0.7 2,-0.5 -0.820 5.8-159.0-100.1 130.0 -3.1 12.5 88.6 70 71 A I E -bd 38 122A 10 51,-2.4 2,-2.1 -2,-0.4 53,-1.4 -0.916 26.8-121.0-105.2 131.1 -2.6 14.7 85.5 71 72 A G > + 0 0 0 -33,-3.0 4,-2.2 -2,-0.5 5,-0.4 -0.086 50.4 153.1 -71.0 48.8 -4.0 13.3 82.3 72 73 A G T 4 S+ 0 0 0 -2,-2.1 -1,-0.2 1,-0.2 24,-0.1 0.578 84.7 21.8 -53.9 -5.6 -0.9 13.2 80.2 73 74 A G T >4 S+ 0 0 10 -3,-0.2 3,-0.7 2,-0.1 4,-0.4 0.623 125.5 43.7-124.7 -63.6 -2.6 10.3 78.3 74 75 A T T 3> S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.570 104.7 74.0 -64.2 -6.0 -6.3 10.4 78.6 75 76 A G T 3< S+ 0 0 11 -4,-2.2 -1,-0.2 2,-0.2 -3,-0.2 0.984 87.7 55.8 -67.7 -54.7 -5.8 14.1 78.1 76 77 A M T <4 S+ 0 0 58 -3,-0.7 14,-0.4 -5,-0.4 -1,-0.2 0.575 115.5 40.9 -54.0 -12.7 -5.1 13.6 74.4 77 78 A I T 4 S- 0 0 36 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.802 100.9-146.8-103.8 -44.6 -8.4 11.9 74.1 78 79 A G < - 0 0 2 -4,-2.4 9,-0.1 -7,-0.1 -3,-0.1 0.485 20.1 -89.3 82.5 136.3 -10.7 14.1 76.3 79 80 A D - 0 0 9 1,-0.1 4,-0.4 90,-0.1 -1,-0.1 -0.634 24.1-163.2 -87.9 103.2 -13.6 13.0 78.5 80 81 A P + 0 0 2 0, 0.0 -1,-0.1 0, 0.0 77,-0.1 0.462 49.8 130.7 -59.3 -1.4 -17.0 13.1 76.8 81 82 A S S S- 0 0 6 1,-0.2 2,-2.5 85,-0.1 3,-0.1 -0.378 85.5 -4.9 -58.0 133.3 -18.5 13.0 80.2 82 83 A G S S+ 0 0 63 1,-0.1 -1,-0.2 2,-0.0 74,-0.0 -0.396 107.6 113.6 81.9 -67.5 -21.1 15.8 80.1 83 84 A K - 0 0 78 -2,-2.5 74,-0.2 -4,-0.4 -1,-0.1 0.164 45.9-168.5 -36.2 146.4 -20.2 17.0 76.7 84 85 A S S S+ 0 0 70 2,-0.1 2,-0.3 72,-0.1 -1,-0.1 -0.353 71.1 61.6-138.6 50.7 -22.8 16.6 74.0 85 86 A E S S- 0 0 159 -5,-0.1 72,-0.1 0, 0.0 76,-0.1 -0.843 97.9 -97.4-166.4 139.7 -20.6 17.4 71.0 86 87 A E - 0 0 81 -2,-0.3 -2,-0.1 75,-0.1 76,-0.0 -0.343 40.0-124.1 -66.7 154.0 -17.5 15.4 70.1 87 88 A R - 0 0 53 -10,-0.2 2,-0.3 -9,-0.1 -1,-0.1 0.047 19.1-124.1 -75.5-162.6 -14.3 16.8 71.4 88 89 A V - 0 0 116 -11,-0.0 -11,-0.0 -2,-0.0 0, 0.0 -0.948 25.2-116.2-148.4 129.0 -11.4 17.6 69.0 89 90 A L - 0 0 113 -2,-0.3 2,-0.3 1,-0.1 -12,-0.1 -0.088 31.9-138.2 -62.0 168.3 -7.9 16.1 69.6 90 91 A Q - 0 0 55 -14,-0.4 5,-0.2 2,-0.0 -1,-0.1 -0.991 21.2 -83.1-139.8 149.7 -5.0 18.4 70.4 91 92 A T > - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.051 33.4-123.7 -46.8 134.6 -1.3 18.8 69.5 92 93 A E H > S+ 0 0 154 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.877 117.7 47.1 -46.0 -40.2 1.3 16.8 71.4 93 94 A E H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.979 106.6 58.3 -68.0 -47.1 2.9 20.1 72.3 94 95 A Q H > S+ 0 0 97 2,-0.2 4,-3.1 1,-0.2 3,-0.4 0.895 114.1 36.1 -46.7 -55.2 -0.4 21.5 73.3 95 96 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.999 118.4 49.3 -62.4 -60.2 -1.0 18.8 75.9 96 97 A D H < S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.663 115.8 48.0 -55.5 -11.1 2.6 18.6 76.9 97 98 A K H >X S+ 0 0 87 -4,-2.0 3,-1.4 -3,-0.4 4,-0.7 0.874 107.9 52.0 -92.0 -50.8 2.5 22.4 77.2 98 99 A N H >X S+ 0 0 19 -4,-3.1 3,-2.0 -5,-0.3 4,-1.9 0.907 100.8 61.5 -49.9 -49.1 -0.8 22.6 79.2 99 100 A I H 3X S+ 0 0 31 -4,-2.2 4,-2.1 1,-0.3 -1,-0.3 0.737 95.1 63.3 -56.9 -19.6 0.4 20.1 81.9 100 101 A E H <> S+ 0 0 109 -3,-1.4 4,-1.1 -5,-0.3 -1,-0.3 0.869 108.5 41.6 -73.0 -33.0 3.2 22.5 82.7 101 102 A G H XX S+ 0 0 0 -3,-2.0 4,-1.2 -4,-0.7 3,-0.8 0.983 115.5 46.3 -75.3 -58.9 0.5 25.0 83.8 102 103 A I H >X S+ 0 0 3 -4,-1.9 4,-2.0 -60,-0.4 3,-0.8 0.887 112.1 53.1 -53.7 -39.1 -1.8 22.7 85.6 103 104 A S H 3X S+ 0 0 33 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.3 0.896 101.6 59.1 -67.3 -32.3 1.2 21.2 87.4 104 105 A K H << S+ 0 0 119 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.777 109.4 45.0 -64.2 -27.4 2.4 24.6 88.6 105 106 A Q H XX S+ 0 0 19 -4,-1.2 4,-1.7 -3,-0.8 3,-1.3 0.886 111.0 49.2 -83.4 -44.9 -0.9 25.1 90.4 106 107 A M H >X S+ 0 0 0 -4,-2.0 3,-2.6 1,-0.3 4,-2.5 0.994 104.4 59.9 -54.8 -60.9 -1.3 21.7 92.0 107 108 A H H 3< S+ 0 0 105 -4,-2.0 5,-0.3 1,-0.3 -1,-0.3 0.594 111.3 43.3 -41.0 -19.9 2.3 21.9 93.3 108 109 A N H <4 S+ 0 0 117 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.678 113.9 47.6 -99.3 -32.6 1.0 25.1 95.1 109 110 A I H << S+ 0 0 12 -3,-2.6 2,-0.3 -4,-1.7 -2,-0.2 0.717 122.6 30.6 -78.4 -26.4 -2.3 23.7 96.3 110 111 A F S < S- 0 0 4 -4,-2.5 2,-0.8 -5,-0.2 -57,-0.0 -0.819 84.8-109.6-127.1 171.9 -0.6 20.5 97.7 111 112 A E + 0 0 108 -2,-0.3 7,-0.5 -3,-0.0 3,-0.5 -0.746 36.9 178.7-110.6 89.4 2.7 19.5 99.1 112 113 A F + 0 0 36 -2,-0.8 7,-0.1 -5,-0.3 -2,-0.0 -0.731 54.2 56.1 -90.0 135.8 4.7 17.3 96.7 113 114 A G + 0 0 79 5,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.373 69.6 126.8 129.7 1.5 8.2 16.1 97.6 114 115 A T - 0 0 79 -3,-0.5 3,-0.3 4,-0.3 -1,-0.3 -0.300 68.8-114.4 -87.2 175.2 7.8 14.2 100.9 115 116 A D S S+ 0 0 152 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 0.879 111.4 5.1 -74.1 -39.9 8.9 10.7 101.9 116 117 A H S S+ 0 0 152 3,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.333 104.2 104.3-143.6 52.2 5.2 9.6 102.3 117 118 A G S S- 0 0 8 1,-0.4 -5,-0.1 -3,-0.3 -52,-0.0 -0.059 78.1 -36.6-109.4-148.9 2.9 12.4 101.3 118 119 A A - 0 0 6 -7,-0.5 -5,-0.5 -53,-0.1 -1,-0.4 -0.264 60.6-142.3 -66.8 161.7 0.7 13.0 98.3 119 120 A V E -d 67 0A 40 -53,-1.3 -51,-3.3 -7,-0.1 2,-0.6 -0.992 6.3-140.8-133.5 144.5 2.0 11.9 94.9 120 121 A L E +d 68 0A 60 -2,-0.4 2,-0.3 -53,-0.2 -51,-0.2 -0.932 28.5 177.9-106.1 118.1 1.8 13.5 91.5 121 122 A V E -d 69 0A 24 -53,-2.0 -51,-2.4 -2,-0.6 2,-0.4 -0.821 18.7-156.0-115.9 156.2 1.3 10.8 88.8 122 123 A N E > -d 70 0A 36 -2,-0.3 3,-1.6 -53,-0.2 4,-0.2 -0.985 11.9-147.1-132.7 119.3 0.9 11.3 85.0 123 124 A N G >> S+ 0 0 0 -53,-1.4 4,-2.7 -2,-0.4 3,-1.1 0.632 86.2 86.0 -69.1 -6.1 -1.0 8.5 83.3 124 125 A R G 34 S+ 0 0 74 -54,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.670 84.5 66.3 -66.7 -6.9 1.0 8.8 80.0 125 126 A D G <4 S+ 0 0 109 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.812 113.0 24.2 -81.1 -35.6 3.4 6.5 81.9 126 127 A W T <> S+ 0 0 29 -3,-1.1 4,-0.7 -4,-0.2 -2,-0.2 0.667 130.2 43.3-102.4 -21.8 1.2 3.5 82.1 127 128 A L T < S+ 0 0 32 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.585 104.5 67.8 -93.5 -14.6 -1.0 4.3 79.1 128 129 A G T 4 S+ 0 0 44 -5,-0.5 -1,-0.2 -4,-0.3 -3,-0.1 0.711 107.6 38.6 -75.8 -20.7 2.1 5.3 77.2 129 130 A Q T 4 S+ 0 0 158 -4,-0.1 -2,-0.1 2,-0.1 -3,-0.1 0.858 85.8 96.5 -89.9 -83.9 3.2 1.7 77.2 130 131 A I < - 0 0 44 -4,-0.7 2,-0.1 1,-0.1 -4,-0.0 0.399 64.6-139.6 -17.1 120.4 0.3 -0.7 76.6 131 132 A S > - 0 0 62 1,-0.0 4,-3.1 4,-0.0 5,-0.3 -0.365 18.6-105.5 -88.0 168.5 -0.2 -1.7 73.0 132 133 A L H > S+ 0 0 126 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.909 121.2 40.1 -59.8 -54.0 -3.2 -2.3 70.6 133 134 A I H > S+ 0 0 105 2,-0.2 4,-2.0 3,-0.1 3,-0.2 0.958 120.4 49.1 -61.1 -46.4 -3.1 -6.1 70.6 134 135 A S H >> S+ 0 0 44 1,-0.2 3,-1.0 2,-0.2 4,-1.0 0.971 104.7 52.9 -52.1 -76.4 -2.3 -6.0 74.3 135 136 A F H 3X>S+ 0 0 33 -4,-3.1 5,-2.4 1,-0.3 4,-1.1 0.741 112.4 49.9 -30.1 -41.5 -5.0 -3.6 75.5 136 137 A L H 3<>S+ 0 0 90 -4,-1.3 5,-0.9 -5,-0.3 -1,-0.3 0.929 116.0 40.0 -69.5 -49.2 -7.5 -5.9 73.7 137 138 A R H <5S+ 0 0 53 -4,-1.1 3,-0.7 -5,-0.5 -3,-0.2 0.809 118.5 56.7-114.4 -46.3 -8.2 -5.4 79.5 140 141 A G G >4> - 0 0 47 1,-0.1 4,-1.3 -2,-0.0 3,-1.1 -0.351 18.1-131.5 -65.6 141.5 -18.4 -5.8 78.1 145 146 A V H 3> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.828 102.5 63.9 -59.1 -38.9 -20.2 -3.5 75.7 146 147 A N H 34 S+ 0 0 158 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.818 103.8 51.3 -58.0 -28.7 -23.6 -3.6 77.3 147 148 A Y H X> S+ 0 0 73 -3,-1.1 3,-2.0 2,-0.2 4,-0.7 0.949 109.8 46.1 -70.8 -50.8 -21.9 -2.0 80.4 148 149 A M H >< S+ 0 0 8 -4,-1.3 3,-1.6 1,-0.3 6,-0.2 0.927 106.9 58.5 -61.0 -43.2 -20.3 0.9 78.5 149 150 A L T 3< S+ 0 0 78 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.395 101.6 62.3 -67.4 5.7 -23.6 1.5 76.7 150 151 A G T <4 S+ 0 0 53 -3,-2.0 -1,-0.3 -5,-0.2 2,-0.2 0.687 72.1 108.6-101.7 -27.0 -24.9 2.0 80.2 151 152 A K XX - 0 0 19 -3,-1.6 4,-0.9 -4,-0.7 3,-0.7 -0.364 65.7-142.2 -60.0 118.4 -22.8 5.0 81.2 152 153 A D H >> S+ 0 0 122 1,-0.2 4,-0.8 -2,-0.2 3,-0.6 0.904 98.7 63.9 -45.3 -48.6 -25.1 8.0 81.4 153 154 A S H >> S+ 0 0 17 1,-0.2 4,-0.7 2,-0.2 3,-0.7 0.865 98.7 54.7 -40.2 -55.3 -22.3 10.1 80.0 154 155 A I H X> S+ 0 0 1 -3,-0.7 4,-3.0 -6,-0.2 3,-0.7 0.777 92.4 66.5 -55.4 -47.5 -22.3 8.2 76.7 155 156 A Q H < S+ 0 0 77 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.840 101.9 63.3 -49.4 -28.3 -25.0 8.0 71.4 159 160 A E H 3< S+ 0 0 137 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.752 118.7 18.8 -67.0 -32.3 -27.7 10.4 70.4 160 161 A H T << S- 0 0 137 -3,-2.0 -1,-0.3 -4,-0.6 -2,-0.2 -0.371 132.9 -77.3-134.3 44.3 -25.8 12.5 67.9 161 162 A G < - 0 0 48 -3,-1.2 2,-0.5 1,-0.1 -3,-0.2 0.897 38.8-137.6 60.2 121.4 -23.1 9.8 67.4 162 163 A I - 0 0 33 -4,-0.2 -1,-0.1 -76,-0.0 -8,-0.0 -0.906 20.3-131.7-108.8 120.2 -20.2 8.9 69.7 163 164 A S > - 0 0 35 -2,-0.5 4,-2.0 1,-0.1 3,-0.3 -0.294 27.1-109.2 -62.2 158.7 -16.8 8.3 68.0 164 165 A Y H > S+ 0 0 175 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.853 115.9 55.9 -61.0 -36.3 -15.0 5.1 69.1 165 166 A T H 4 S+ 0 0 60 2,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.900 106.2 47.6 -68.0 -36.3 -12.4 7.1 71.0 166 167 A E H >4 S+ 0 0 1 -3,-0.3 3,-1.2 1,-0.2 4,-0.4 0.937 115.4 51.4 -65.9 -39.0 -14.8 9.0 73.2 167 168 A F H 3< S+ 0 0 29 -4,-2.0 3,-0.4 1,-0.3 4,-0.3 0.858 106.5 49.7 -65.0 -41.5 -16.3 5.5 73.7 168 169 A T T 3X S+ 0 0 24 -4,-2.8 4,-0.5 1,-0.2 -1,-0.3 0.236 88.8 91.8 -85.7 22.5 -13.0 3.7 74.6 169 170 A Y H X> S+ 0 0 4 -3,-1.2 4,-1.6 2,-0.2 3,-1.3 0.941 75.6 57.5 -76.8 -51.9 -12.3 6.5 77.2 170 171 A T H 3> S+ 0 0 4 -3,-0.4 4,-1.2 -4,-0.4 -1,-0.2 0.746 105.0 53.8 -47.1 -36.0 -13.9 4.9 80.3 171 172 A I H 3> S+ 0 0 18 -4,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.778 105.0 55.0 -72.8 -27.3 -11.6 1.9 79.8 172 173 A L H S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-1.5 0.948 110.6 58.3 -74.6 -43.0 -3.1 2.8 91.4 181 182 A N H <5S+ 0 0 12 -4,-4.0 -2,-0.2 1,-0.3 -1,-0.2 0.815 120.2 30.9 -55.6 -31.9 -5.3 0.4 93.4 182 183 A R H <5S+ 0 0 139 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.689 128.7 40.1 -99.9 -16.6 -2.5 -2.1 92.7 183 184 A E H <5S+ 0 0 109 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.877 129.6 16.7 -99.6 -49.1 0.4 0.3 92.6 184 185 A L T <5S- 0 0 49 -4,-2.4 -3,-0.2 -5,-0.2 -4,-0.1 0.441 104.9-107.9-105.8 -0.5 0.0 3.0 95.3 185 186 A N < + 0 0 100 -5,-1.5 -4,-0.2 1,-0.2 -152,-0.2 0.346 55.3 174.9 90.7 4.0 -2.6 1.1 97.3 186 187 A C + 0 0 0 -6,-0.8 -1,-0.2 1,-0.1 -152,-0.2 0.050 15.1 164.2 -45.7 134.8 -5.4 3.5 96.2 187 188 A K + 0 0 31 -154,-0.4 29,-3.2 1,-0.3 2,-0.4 0.521 57.7 50.9-128.7 -20.0 -8.8 2.5 97.5 188 189 A I E - e 0 216A 0 -155,-0.3 -153,-1.6 27,-0.2 2,-0.5 -0.979 59.4-157.4-126.3 139.8 -11.1 5.6 97.0 189 190 A Q E -ce 35 217A 7 27,-1.4 29,-2.8 -2,-0.4 2,-0.4 -0.973 12.1-165.5-120.2 116.8 -11.5 7.8 93.9 190 191 A V E + e 0 218A 2 -155,-2.2 -153,-0.3 -2,-0.5 2,-0.3 -0.833 27.7 125.2-103.2 137.2 -12.8 11.3 94.6 191 192 A G E - e 0 219A 5 27,-0.8 29,-1.4 -2,-0.4 4,-0.1 -0.940 53.8 -67.5-176.9 169.9 -14.1 13.4 91.8 192 193 A G > - 0 0 10 -2,-0.3 3,-3.0 27,-0.2 4,-0.2 -0.103 53.0 -93.2 -70.6 168.2 -17.1 15.5 90.7 193 194 A S G > S+ 0 0 36 27,-0.5 3,-2.3 1,-0.3 4,-0.3 0.850 123.2 66.7 -43.7 -46.3 -20.6 14.4 89.7 194 195 A D G 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.411 97.4 57.8 -57.2 -0.7 -19.4 14.3 86.1 195 196 A Q G <> + 0 0 27 -3,-3.0 4,-3.2 2,-0.1 -1,-0.3 0.401 69.3 101.2-115.4 4.7 -17.2 11.4 87.2 196 197 A W H <> S+ 0 0 77 -3,-2.3 4,-2.3 -4,-0.2 5,-0.3 0.962 86.1 47.4 -50.2 -63.0 -19.7 8.9 88.5 197 198 A G H > S+ 0 0 13 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.887 115.7 42.8 -43.1 -62.8 -19.6 6.9 85.4 198 199 A N H > S+ 0 0 0 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.852 114.4 52.2 -55.9 -41.2 -15.8 6.7 85.1 199 200 A I H >X S+ 0 0 1 -4,-3.2 3,-1.4 -3,-0.2 4,-1.1 0.993 113.2 41.7 -58.8 -62.4 -15.3 6.1 88.8 200 201 A T H >X S+ 0 0 32 -4,-2.3 4,-2.5 1,-0.3 3,-1.1 0.901 108.7 60.1 -51.7 -47.4 -17.7 3.2 89.0 201 202 A S H 3X S+ 0 0 6 -4,-3.0 4,-1.8 -5,-0.3 -1,-0.3 0.832 100.7 58.4 -55.0 -28.0 -16.4 1.8 85.7 202 203 A G H < S+ 0 0 98 -4,-2.1 3,-0.6 4,-0.2 -2,-0.2 0.990 112.7 45.7 -70.6 -53.2 -13.8 -6.8 90.2 208 209 A R H 3< S+ 0 0 131 -4,-1.8 3,-0.2 1,-0.3 -2,-0.2 0.892 113.1 49.6 -56.0 -45.9 -13.7 -8.8 86.9 209 210 A M H 3< S- 0 0 44 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.853 142.9 -21.9 -63.1 -31.0 -10.0 -8.7 86.6 210 211 A Y S X< S- 0 0 90 -4,-1.3 3,-0.5 -3,-0.6 -1,-0.2 -0.503 97.0 -70.1 178.8 104.4 -9.8 -9.9 90.3 211 212 A G T 3 S- 0 0 75 -3,-0.2 -4,-0.2 1,-0.2 3,-0.1 0.465 82.3 -78.0 -3.9 82.3 -12.5 -9.7 93.0 212 213 A Q T 3 - 0 0 108 -9,-0.2 2,-3.6 1,-0.2 -1,-0.2 0.552 44.4-133.3 1.0 94.3 -12.5 -5.8 93.6 213 214 A T < - 0 0 75 -3,-0.5 -1,-0.2 -7,-0.3 -2,-0.1 -0.071 64.5 -64.7 -58.6 43.8 -9.4 -5.3 95.8 214 215 A D S S+ 0 0 68 -2,-3.6 2,-0.3 1,-0.2 -1,-0.2 0.914 85.9 158.1 73.8 50.5 -11.2 -3.0 98.3 215 216 A A + 0 0 4 -3,-0.1 2,-0.3 -12,-0.1 -1,-0.2 -0.821 13.3 174.0-109.7 148.4 -12.0 -0.1 96.0 216 217 A Y E - e 0 188A 28 -29,-3.2 -27,-1.4 -2,-0.3 2,-0.4 -0.966 20.6-133.1-144.0 160.7 -14.7 2.5 96.5 217 218 A G E - e 0 189A 0 -2,-0.3 -199,-1.4 -29,-0.2 2,-0.3 -0.958 14.3-171.5-127.2 136.4 -15.8 5.7 94.8 218 219 A L E -Ae 17 190A 4 -29,-2.8 -27,-0.8 -2,-0.4 2,-0.4 -0.921 6.8-158.6-121.4 143.4 -16.8 9.1 96.3 219 220 A T E -Ae 16 191A 0 -203,-1.7 -204,-2.4 -2,-0.3 -203,-1.1 -0.993 8.7-146.8-127.4 132.7 -18.3 12.1 94.5 220 221 A I - 0 0 2 -29,-1.4 -27,-0.5 -2,-0.4 -206,-0.2 -0.514 35.8-110.6 -83.5 157.8 -18.2 15.7 95.6 221 222 A P - 0 0 22 0, 0.0 2,-0.6 0, 0.0 -28,-0.3 0.044 30.5 -84.2 -79.4-160.9 -21.3 17.6 94.6 222 223 A L - 0 0 117 -30,-0.1 2,-0.3 -29,-0.1 -174,-0.0 -0.926 38.9-125.8-107.9 112.1 -22.0 20.4 92.1 223 224 A V - 0 0 28 -2,-0.6 2,-0.5 -175,-0.1 8,-0.4 -0.450 33.1-162.4 -62.6 117.8 -21.4 23.9 93.4 224 225 A T - 0 0 81 -2,-0.3 -1,-0.1 6,-0.1 6,-0.1 -0.899 11.2-139.0-110.1 123.9 -24.7 25.7 92.8 225 226 A K - 0 0 55 -2,-0.5 5,-0.1 1,-0.1 6,-0.0 -0.278 24.0-119.1 -67.2 170.1 -25.1 29.5 92.8 226 227 A S S S+ 0 0 49 1,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.910 109.0 45.1 -78.8 -41.8 -28.2 30.9 94.5 227 228 A D S S- 0 0 78 2,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.626 117.7-104.8 -74.5 -19.6 -29.8 32.6 91.5 228 229 A G S S+ 0 0 54 1,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.917 75.0 135.6 88.8 45.4 -29.2 29.7 89.2 229 230 A K - 0 0 120 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 -0.865 67.2 -84.1-137.8 106.2 -26.3 31.1 87.2 230 231 A K > - 0 0 127 -2,-0.3 3,-2.6 1,-0.1 -6,-0.1 0.392 39.5-130.1 1.6 91.9 -23.1 29.0 86.4 231 232 A F T 3 S+ 0 0 29 -8,-0.4 -1,-0.1 1,-0.3 -183,-0.1 -0.167 95.2 24.1 -52.1 138.7 -20.7 29.0 89.2 232 233 A G T 3 S+ 0 0 10 1,-0.1 2,-0.7 6,-0.1 -1,-0.3 0.391 92.3 117.4 86.8 -5.5 -17.4 29.8 87.6 233 234 A K < + 0 0 135 -3,-2.6 5,-0.3 -4,-0.2 4,-0.2 -0.840 29.5 162.6-107.3 105.9 -18.6 31.7 84.5 234 235 A S - 0 0 47 3,-2.2 5,-0.0 2,-0.8 -4,-0.0 -0.439 58.9-101.7 -99.7 175.7 -17.7 35.4 84.1 235 236 A E S S+ 0 0 185 1,-0.2 2,-2.4 -2,-0.2 -1,-0.1 0.949 128.6 69.4 -60.3 -44.5 -17.8 37.3 80.7 236 237 A S S S- 0 0 63 1,-0.2 -2,-0.8 2,-0.1 -1,-0.2 -0.626 120.1-120.4 -68.0 81.2 -14.1 36.6 81.0 237 238 A G S S+ 0 0 41 -2,-2.4 -3,-2.2 -4,-0.2 -1,-0.2 0.522 77.0 3.6 8.3 -92.3 -15.4 33.0 80.4 238 239 A A S S- 0 0 16 -5,-0.3 -4,-0.4 -3,-0.1 2,-0.3 0.124 78.4-108.0 -90.8-158.7 -14.2 31.2 83.5 239 240 A V - 0 0 4 -6,-0.1 -192,-1.7 -7,-0.1 2,-0.5 -0.875 42.2-151.5-136.8 91.7 -12.5 32.4 86.6 240 241 A W B -F 46 0B 65 -2,-0.3 6,-0.4 -194,-0.2 5,-0.3 -0.659 18.6-143.7 -79.1 126.1 -9.0 31.0 86.2 241 242 A L S S+ 0 0 13 -196,-1.0 2,-0.7 -2,-0.5 -195,-0.1 0.313 77.4 102.8 -66.7 11.0 -6.8 30.1 89.2 242 243 A D S >> S- 0 0 30 -197,-0.3 4,-2.6 1,-0.1 3,-1.0 -0.910 75.3-138.2-100.2 119.9 -3.9 31.4 87.0 243 244 A A T 34 S+ 0 0 44 -2,-0.7 2,-0.8 1,-0.3 -1,-0.1 0.814 99.4 52.9 -38.5 -48.7 -2.8 34.8 88.1 244 245 A E T 34 S+ 0 0 167 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 -0.317 116.6 34.3 -91.4 45.2 -2.4 36.0 84.5 245 246 A K T <4 S+ 0 0 82 -3,-1.0 2,-0.4 -2,-0.8 -2,-0.2 0.089 136.7 19.2-158.8 -33.6 -5.9 35.0 83.2 246 247 A T S < S- 0 0 5 -4,-2.6 -7,-0.1 -6,-0.4 -2,-0.0 -0.919 88.1-149.8-150.3 105.5 -7.8 35.7 86.4 247 248 A S > - 0 0 33 -2,-0.4 4,-4.4 -3,-0.1 3,-0.5 -0.472 26.5-107.4 -81.7 153.8 -6.0 38.0 88.8 248 249 A P H > S+ 0 0 27 0, 0.0 4,-4.3 0, 0.0 5,-0.1 0.789 122.0 48.7 -47.0 -37.2 -6.0 38.2 92.6 249 250 A Y H > S+ 0 0 91 2,-0.2 4,-2.2 3,-0.2 5,-0.1 0.891 117.2 39.7 -69.8 -46.2 -8.0 41.5 92.4 250 251 A E H > S+ 0 0 94 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.861 120.9 48.2 -68.6 -32.5 -10.5 39.9 89.9 251 252 A F H X S+ 0 0 0 -4,-4.4 4,-0.9 2,-0.2 -2,-0.2 0.988 109.6 50.7 -68.3 -59.7 -10.2 36.9 92.1 252 253 A Y H >X S+ 0 0 10 -4,-4.3 3,-1.9 1,-0.2 4,-1.8 0.922 110.6 49.0 -40.2 -67.2 -10.7 38.7 95.3 253 254 A Q H 3X S+ 0 0 29 -4,-2.2 4,-2.6 1,-0.3 3,-0.4 0.871 100.3 64.5 -43.3 -54.7 -13.9 40.5 94.1 254 255 A F H 3< S+ 0 0 37 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.697 110.2 38.9 -43.6 -34.8 -15.5 37.3 92.8 255 256 A W H X< S+ 0 0 0 -3,-1.9 3,-0.6 -4,-0.9 -1,-0.3 0.815 116.0 49.6 -90.3 -33.8 -15.7 36.0 96.3 256 257 A I H 3< S+ 0 0 8 -4,-1.8 -2,-0.2 -3,-0.4 -3,-0.2 0.723 112.5 46.7 -78.7 -18.9 -16.6 39.3 98.1 257 258 A N T 3< S+ 0 0 91 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.1 0.385 87.0 126.2 -98.5 2.5 -19.4 40.2 95.7 258 259 A Q S < S- 0 0 4 -3,-0.6 37,-0.1 -5,-0.4 -3,-0.1 -0.342 72.9 -94.1 -58.7 134.9 -20.6 36.6 96.1 259 260 A S - 0 0 44 1,-0.1 -1,-0.1 3,-0.1 -2,-0.1 -0.121 20.7-128.5 -55.2 148.6 -24.3 36.5 97.2 260 261 A D S >> S+ 0 0 52 2,-0.1 3,-1.2 1,-0.1 4,-0.6 0.786 104.4 58.7 -65.2 -34.3 -25.2 36.3 100.8 261 262 A E T 34 S+ 0 0 146 1,-0.3 2,-2.3 2,-0.1 3,-0.5 0.983 112.3 35.7 -60.9 -74.4 -27.5 33.3 100.2 262 263 A D T 34 S+ 0 0 4 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.020 102.5 95.7 -69.8 43.5 -25.0 31.0 98.8 263 264 A V T <> S+ 0 0 0 -2,-2.3 4,-1.9 -3,-1.2 -1,-0.2 0.930 75.6 40.8 -98.8 -58.4 -22.4 32.4 101.2 264 265 A I H X S+ 0 0 15 -4,-0.6 4,-2.1 -3,-0.5 5,-0.1 0.899 115.6 56.5 -57.7 -39.4 -21.9 30.4 104.5 265 266 A K H >> S+ 0 0 81 -4,-0.4 4,-2.4 1,-0.3 3,-1.3 0.984 105.3 47.6 -51.8 -65.9 -22.1 27.2 102.3 266 267 A F H 3> S+ 0 0 0 -4,-0.5 4,-3.0 1,-0.3 5,-0.4 0.806 108.0 59.6 -48.1 -32.8 -19.3 28.3 100.1 267 268 A L H 3X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 6,-0.3 0.936 109.6 41.4 -60.2 -48.2 -17.5 29.1 103.5 268 269 A K H << S+ 0 0 48 -4,-2.1 -2,-0.2 -3,-1.3 -1,-0.2 0.942 116.9 49.2 -62.2 -52.2 -18.0 25.4 104.4 269 270 A Y H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.919 127.3 18.6 -55.0 -53.7 -17.0 24.1 100.9 270 271 A F H < S+ 0 0 2 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.2 0.519 108.2 77.1-104.0 -8.2 -13.8 26.2 100.4 271 272 A T < - 0 0 2 -4,-1.9 27,-0.1 -5,-0.4 30,-0.0 -0.771 62.7-143.4-106.5 152.6 -12.5 27.4 103.8 272 273 A F + 0 0 72 -2,-0.3 -4,-0.1 -214,-0.0 2,-0.1 -0.241 60.0 126.3-101.0 38.5 -10.7 25.6 106.6 273 274 A L - 0 0 20 -6,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.303 61.1-108.8 -83.6 177.6 -12.5 27.4 109.4 274 275 A G > - 0 0 22 -2,-0.1 4,-1.6 1,-0.1 5,-0.2 -0.385 27.8-101.0 -98.4-176.6 -14.3 25.4 112.1 275 276 A K H > S+ 0 0 105 2,-0.2 4,-2.6 3,-0.2 -1,-0.1 0.796 125.4 51.9 -72.9 -24.6 -18.0 25.0 112.7 276 277 A E H > S+ 0 0 127 2,-0.2 4,-2.5 3,-0.2 5,-0.3 0.982 106.9 47.3 -71.5 -60.3 -17.6 27.6 115.4 277 278 A E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.885 117.9 45.1 -50.1 -42.1 -15.8 30.3 113.3 278 279 A I H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 5,-0.4 0.979 106.9 58.5 -70.0 -47.7 -18.5 29.8 110.7 279 280 A D H >X S+ 0 0 63 -4,-2.6 4,-1.4 1,-0.3 3,-0.7 0.894 113.8 38.8 -42.7 -53.9 -21.3 29.8 113.3 280 281 A R H 3X S+ 0 0 155 -4,-2.5 4,-2.5 1,-0.3 -1,-0.3 0.890 116.0 51.9 -61.6 -46.6 -20.2 33.2 114.4 281 282 A L H 3X S+ 0 0 5 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.3 0.605 106.9 53.6 -70.3 -14.3 -19.5 34.3 110.8 282 283 A E H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 3,-0.7 0.917 113.4 49.8 -45.7 -37.9 -22.4 38.6 111.7 285 286 A K H 3< S+ 0 0 62 -4,-0.5 3,-0.3 1,-0.2 -2,-0.2 0.996 105.7 53.4 -64.8 -60.2 -24.2 37.9 108.4 286 287 A N H 3< S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.448 128.7 11.5 -55.9 -13.3 -27.7 37.3 109.9 287 288 A E H << S+ 0 0 127 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.458 129.1 40.9-145.4 -6.8 -27.9 40.6 111.9 288 289 A A >< + 0 0 27 -4,-2.2 3,-2.3 -5,-0.4 4,-0.5 -0.065 59.8 157.8-136.2 39.7 -25.1 43.1 110.9 289 290 A P T 3 + 0 0 79 0, 0.0 3,-0.5 0, 0.0 -4,-0.1 0.587 62.4 76.7 -42.5 -15.5 -25.0 42.6 107.1 290 291 A H T 3 S+ 0 0 156 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.890 88.6 52.5 -67.2 -39.7 -23.4 46.1 106.8 291 292 A L S < S- 0 0 97 -3,-2.3 -1,-0.2 -7,-0.2 -6,-0.1 0.720 95.2-149.6 -72.4 -13.0 -19.9 45.0 107.9 292 293 A R > + 0 0 112 -4,-0.5 4,-0.8 -3,-0.5 -2,-0.1 0.930 34.4 161.0 43.4 57.6 -20.2 42.3 105.2 293 294 A E H > + 0 0 53 2,-0.2 4,-2.7 -5,-0.2 5,-0.3 0.902 63.7 51.8 -73.3 -45.9 -18.0 39.9 107.2 294 295 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.985 112.1 44.8 -53.2 -73.9 -18.9 36.6 105.5 295 296 A Q H > S+ 0 0 4 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.753 116.7 51.1 -43.1 -28.5 -18.3 37.8 102.0 296 297 A K H X S+ 0 0 74 -4,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.959 110.6 40.1 -77.8 -56.9 -15.1 39.3 103.3 297 298 A T H X S+ 0 0 35 -4,-2.7 4,-2.0 -3,-0.4 -2,-0.2 0.902 112.7 57.5 -57.3 -48.9 -13.3 36.5 105.2 298 299 A L H >X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 3,-1.6 0.972 110.7 45.1 -41.6 -69.0 -14.3 34.0 102.5 299 300 A A H 3X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.3 5,-0.3 0.911 113.8 45.2 -40.3 -74.7 -12.6 36.1 100.0 300 301 A E H 3X S+ 0 0 61 -4,-2.5 4,-0.9 1,-0.2 -1,-0.3 0.639 114.4 53.0 -53.1 -15.6 -9.4 36.8 102.0 301 302 A E H XX S+ 0 0 60 -4,-2.0 4,-2.4 -3,-1.6 3,-0.6 0.962 113.2 37.7 -78.6 -64.6 -9.3 33.1 102.9 302 303 A V H 3X S+ 0 0 2 -4,-2.1 4,-3.4 1,-0.3 5,-0.3 0.769 118.9 53.1 -56.4 -30.2 -9.5 31.5 99.5 303 304 A T H 3X>S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.4 5,-0.9 0.858 106.8 46.8 -77.1 -40.9 -7.3 34.3 98.1 304 305 A K H S+ 0 0 124 2,-0.2 4,-1.6 -2,-0.1 3,-0.5 0.973 122.7 39.1 -73.7 -52.0 -0.5 36.4 101.6 310 311 A D H > S+ 0 0 113 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.821 113.6 51.5 -64.5 -45.3 1.1 39.4 99.9 311 312 A A H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.716 104.8 60.8 -68.0 -21.8 -0.9 39.3 96.6 312 313 A L H > S+ 0 0 8 -3,-0.5 4,-3.6 -4,-0.4 -2,-0.2 0.953 107.5 44.2 -66.3 -49.8 -3.9 39.2 98.9 313 314 A N H X S+ 0 0 90 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.976 111.7 51.3 -54.0 -70.2 -2.7 42.5 100.2 314 315 A D H < S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.756 113.4 46.8 -34.2 -46.7 -1.9 43.8 96.7 315 316 A A H >X S+ 0 0 2 -4,-2.8 3,-2.0 1,-0.2 4,-1.3 0.983 114.3 44.9 -62.1 -58.4 -5.5 42.8 95.7 316 317 A I H >< S+ 0 0 62 -4,-3.6 3,-1.5 1,-0.3 -2,-0.2 0.926 107.5 60.1 -50.6 -49.1 -7.1 44.4 98.8 317 318 A R T 3< S+ 0 0 206 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.224 111.2 41.8 -64.9 14.5 -4.9 47.5 98.3 318 319 A I T <4 0 0 98 -3,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.433 360.0 360.0-130.9 -21.1 -6.5 47.9 94.9 319 320 A S << 0 0 85 -3,-1.5 -3,-0.1 -4,-1.3 -70,-0.0 0.204 360.0 360.0 -36.1 360.0 -10.0 47.0 96.2