==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-FEB-11 3AUJ . COMPND 2 MOLECULE: DIOL DEHYDRASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA OXYTOCA; . AUTHOR M.YAMANISHI,K.KINOSHITA,M.FUKUOKA,T.SHIBATA,T.TOBIMATSU,T.TO . 1739 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1191 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 72 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 209 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 625 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.4 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 4 3 4 2 7 11 0 6 2 9 5 8 4 2 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 5 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 2 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A M 0 0 157 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.4 37.9 -155.8 200.6 2 2 A R - 0 0 106 1,-0.0 2,-0.5 2,-0.0 3,-0.0 -0.623 360.0-118.8 -91.3 146.4 36.2 -155.0 197.3 3 3 A S > - 0 0 0 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 -0.697 13.9-149.4 -80.4 125.9 33.9 -157.2 195.3 4 4 A K H > S+ 0 0 83 1310,-3.0 4,-1.4 -2,-0.5 1312,-0.2 0.765 97.1 63.2 -67.7 -23.6 35.4 -157.9 191.9 5 5 A R H > S+ 0 0 1 1310,-0.5 4,-1.5 1309,-0.2 -1,-0.2 0.893 107.9 40.5 -66.6 -40.0 31.8 -158.2 190.6 6 6 A F H > S+ 0 0 26 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.777 108.7 58.8 -81.0 -25.7 31.2 -154.5 191.5 7 7 A E H X S+ 0 0 70 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.842 108.0 49.2 -69.4 -31.0 34.6 -153.3 190.4 8 8 A A H < S+ 0 0 16 -4,-1.4 3,-0.5 2,-0.2 4,-0.4 0.918 112.7 46.1 -71.0 -44.8 33.6 -154.7 187.0 9 9 A L H >< S+ 0 0 2 -4,-1.5 3,-1.5 1,-0.2 6,-0.3 0.877 105.6 60.4 -65.6 -37.8 30.2 -152.9 187.1 10 10 A A H 3< S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 101.3 54.7 -61.8 -27.9 31.8 -149.7 188.3 11 11 A K T 3< S+ 0 0 169 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.579 81.5 118.1 -82.2 -10.7 33.9 -149.5 185.1 12 12 A R S X S- 0 0 34 -3,-1.5 3,-1.6 -4,-0.4 4,-0.1 -0.319 71.6-127.7 -60.3 135.8 30.8 -149.8 182.9 13 13 A P G > S+ 0 0 63 0, 0.0 3,-2.7 0, 0.0 4,-0.4 0.842 105.0 67.3 -52.1 -38.1 30.2 -146.8 180.6 14 14 A V G > S+ 0 0 0 1,-0.3 3,-1.7 326,-0.2 327,-0.1 0.840 90.6 64.7 -55.5 -31.0 26.6 -146.4 181.8 15 15 A N G < S+ 0 0 44 -3,-1.6 -1,-0.3 1,-0.3 -3,-0.1 0.504 91.7 63.2 -72.9 0.2 28.0 -145.4 185.1 16 16 A Q G < S+ 0 0 90 -3,-2.7 -1,-0.3 -4,-0.1 -2,-0.2 0.544 84.4 102.6 -94.4 -12.9 29.6 -142.3 183.6 17 17 A D S < S- 0 0 11 -3,-1.7 2,-0.6 -4,-0.4 686,-0.2 -0.255 80.7-108.8 -67.6 159.2 26.2 -141.0 182.7 18 18 A G + 0 0 22 684,-1.1 2,-0.3 320,-0.4 1402,-0.1 -0.817 41.8 171.4 -96.2 124.3 24.6 -138.3 184.8 19 19 A F E +a 1420 0A 6 1400,-0.6 1402,-1.0 -2,-0.6 2,-0.3 -0.942 5.0 179.7-128.1 149.9 21.6 -139.3 187.0 20 20 A V E -a 1421 0A 5 288,-2.4 1402,-0.2 -2,-0.3 2,-0.2 -0.985 30.7-108.8-147.6 155.7 19.8 -137.3 189.6 21 21 A K - 0 0 103 1400,-2.0 1400,-0.1 -2,-0.3 288,-0.1 -0.553 57.2 -80.3 -80.7 152.0 16.9 -137.8 192.0 22 22 A E - 0 0 58 -2,-0.2 2,-0.3 1,-0.1 7,-0.2 -0.202 41.3-170.7 -55.6 139.4 13.7 -135.9 191.2 23 23 A W B > > -B 28 0B 30 5,-2.3 5,-2.3 1,-0.1 3,-1.2 -0.737 4.9-179.9-134.6 80.4 13.7 -132.3 192.3 24 24 A I G > 5S+ 0 0 36 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.871 74.8 64.0 -50.4 -47.9 10.1 -131.1 191.8 25 25 A E G 3 5S+ 0 0 119 1,-0.3 248,-0.4 2,-0.1 -1,-0.3 0.813 111.9 36.9 -50.2 -34.9 10.7 -127.5 193.0 26 26 A E G < 5S- 0 0 30 -3,-1.2 -1,-0.3 247,-0.1 -2,-0.2 0.169 120.1-102.7-106.3 18.4 13.1 -126.9 190.1 27 27 A G T < 5S+ 0 0 0 -3,-2.5 2,-2.0 1,-0.2 249,-0.3 0.610 72.2 144.6 74.8 12.0 11.2 -128.9 187.5 28 28 A F B < +B 23 0B 0 -5,-2.3 -5,-2.3 247,-0.1 2,-0.3 -0.464 41.1 95.1 -84.7 68.1 13.6 -131.9 187.7 29 29 A I - 0 0 7 -2,-2.0 247,-2.2 245,-0.2 248,-0.2 -0.905 66.2-145.5-156.0 122.5 10.8 -134.5 187.1 30 30 A A - 0 0 0 280,-0.5 247,-2.6 -2,-0.3 2,-0.3 0.918 68.8 -30.9 -59.8 -50.4 10.1 -135.9 183.7 31 31 A M S S+ 0 0 8 279,-0.3 -1,-0.2 245,-0.2 245,-0.0 -0.965 108.2 52.9-161.9 173.4 6.3 -136.3 184.0 32 32 A E + 0 0 81 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.963 66.2 172.0 53.5 57.1 3.4 -137.1 186.3 33 33 A S > - 0 0 12 -4,-0.1 3,-0.8 -3,-0.1 -1,-0.2 -0.756 40.1-138.3 -95.9 143.5 4.4 -134.4 188.8 34 34 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 240,-0.0 0.520 104.3 63.5 -77.2 -3.7 2.0 -133.5 191.7 35 35 A N T 3 S+ 0 0 82 238,-0.1 239,-0.0 2,-0.1 -3,-0.0 0.663 78.7 103.5 -91.1 -22.2 2.9 -129.9 190.9 36 36 A D S < S- 0 0 31 -3,-0.8 238,-0.0 1,-0.1 237,-0.0 -0.306 81.6 -98.9 -64.0 146.2 1.4 -129.9 187.4 37 37 A P - 0 0 33 0, 0.0 16,-0.1 0, 0.0 -1,-0.1 -0.291 32.7-112.8 -66.4 147.2 -2.0 -128.2 186.9 38 38 A K - 0 0 172 14,-0.1 74,-0.1 1,-0.1 73,-0.1 -0.579 44.2-100.0 -76.2 140.3 -5.2 -130.2 186.8 39 39 A P + 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.371 62.2 137.4 -65.1 140.9 -6.8 -130.1 183.4 40 40 A S - 0 0 23 -2,-0.1 12,-2.9 -3,-0.0 2,-0.3 -0.973 26.8-170.5-171.8 164.1 -9.7 -127.7 182.9 41 41 A I E -C 51 0C 17 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.887 4.4-166.3-167.9 134.0 -11.2 -125.0 180.6 42 42 A K E -C 50 0C 113 8,-1.7 7,-2.6 -2,-0.3 8,-1.2 -0.994 10.8-163.5-126.2 132.5 -14.0 -122.5 180.9 43 43 A I E +C 48 0C 32 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.972 9.1 178.6-123.8 125.6 -15.3 -120.7 177.8 44 44 A V E > S-C 47 0C 72 3,-3.0 3,-1.4 -2,-0.5 -2,-0.0 -0.987 75.6 -11.8-127.1 122.0 -17.4 -117.6 177.8 45 45 A N T 3 S- 0 0 165 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.821 129.0 -55.6 60.2 32.2 -18.6 -116.0 174.5 46 46 A G T 3 S+ 0 0 58 1,-0.2 2,-0.4 27,-0.1 -1,-0.3 0.585 119.3 105.1 78.9 9.7 -16.3 -118.2 172.6 47 47 A A E < S-C 44 0C 54 -3,-1.4 -3,-3.0 26,-0.0 2,-0.4 -0.953 75.3-109.2-125.7 145.2 -13.3 -117.1 174.5 48 48 A V E +C 43 0C 13 -2,-0.4 -5,-0.2 19,-0.3 3,-0.1 -0.554 31.8 171.9 -76.2 127.1 -11.3 -118.9 177.2 49 49 A T E S+ 0 0 49 -7,-2.6 7,-2.9 -2,-0.4 2,-0.3 0.522 74.2 26.4-106.8 -14.2 -11.6 -117.5 180.7 50 50 A E E -CD 42 55C 36 -8,-1.2 -8,-1.7 5,-0.3 2,-0.5 -0.972 61.0-170.4-151.9 134.3 -9.7 -120.3 182.4 51 51 A L E > S-CD 41 54C 5 3,-2.8 3,-1.7 -2,-0.3 -10,-0.2 -0.943 75.0 -27.1-132.1 111.7 -7.0 -122.7 181.2 52 52 A D T 3 S- 0 0 8 -12,-2.9 -1,-0.1 -2,-0.5 -11,-0.1 0.940 128.3 -42.3 50.5 57.0 -6.0 -125.6 183.3 53 53 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -16,-0.1 -12,-0.1 0.253 115.7 114.1 79.2 -13.5 -6.9 -124.0 186.6 54 54 A K E < -D 51 0C 59 -3,-1.7 -3,-2.8 -14,-0.1 -1,-0.2 -0.808 63.3-131.9 -97.8 125.7 -5.5 -120.6 185.6 55 55 A P E > -D 50 0C 51 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.422 25.1-113.8 -70.8 147.5 -7.8 -117.6 185.3 56 56 A V G > S+ 0 0 61 -7,-2.9 3,-0.9 1,-0.3 -6,-0.1 0.754 114.7 69.3 -52.6 -24.3 -7.4 -115.5 182.1 57 57 A S G 3 S+ 0 0 96 -8,-0.3 -1,-0.3 1,-0.2 -7,-0.1 0.723 102.8 42.3 -68.5 -21.0 -6.3 -112.7 184.5 58 58 A D G < S+ 0 0 93 -3,-2.7 -1,-0.2 2,-0.0 -2,-0.2 0.334 83.6 134.3-106.6 4.5 -3.1 -114.6 185.2 59 59 A F < - 0 0 4 -3,-0.9 2,-0.2 -4,-0.4 -3,-0.0 -0.252 41.8-152.6 -56.9 136.6 -2.3 -115.7 181.7 60 60 A D > - 0 0 6 1,-0.0 4,-2.3 805,-0.0 5,-0.2 -0.422 44.1 -83.4 -96.1-177.9 1.3 -115.3 180.6 61 61 A L H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 131.8 51.9 -56.5 -34.7 2.1 -114.8 176.9 62 62 A I H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.918 108.1 48.9 -69.1 -44.9 2.0 -118.6 176.4 63 63 A D H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.926 113.3 49.1 -60.0 -44.2 -1.4 -119.1 178.0 64 64 A H H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.958 111.7 47.1 -59.8 -52.5 -2.8 -116.3 175.9 65 65 A F H X>S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.7 0.932 118.1 41.6 -56.0 -50.5 -1.4 -117.6 172.6 66 66 A I H X>S+ 0 0 1 -4,-2.7 4,-1.2 3,-0.2 5,-0.8 0.901 114.5 51.3 -65.3 -42.4 -2.6 -121.2 173.3 67 67 A A H <5S+ 0 0 6 -4,-3.1 -19,-0.3 -5,-0.3 -1,-0.2 0.866 118.9 36.7 -64.1 -36.6 -6.0 -120.0 174.7 68 68 A R H <5S+ 0 0 123 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.791 138.8 6.7 -89.1 -28.8 -6.7 -117.9 171.6 69 69 A Y H <5S+ 0 0 37 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.604 115.0 64.8-128.9 -18.6 -5.2 -120.0 168.8 70 70 A G T < - 0 0 48 34,-2.8 3,-1.2 -2,-0.4 4,-0.4 -0.642 31.5-174.8 -80.0 88.9 -10.2 -126.4 169.1 73 73 A L G >> + 0 0 38 -2,-1.6 3,-0.6 1,-0.2 4,-0.5 0.720 69.4 75.1 -60.1 -27.4 -12.7 -124.6 171.3 74 74 A N G 34 S+ 0 0 152 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.867 116.3 19.1 -55.6 -36.8 -15.8 -126.0 169.5 75 75 A R G <> S+ 0 0 82 -3,-1.2 4,-2.4 28,-0.2 5,-0.3 0.222 93.5 107.5-119.6 14.4 -15.2 -129.4 171.2 76 76 A A H <> S+ 0 0 1 -3,-0.6 4,-1.9 -4,-0.4 33,-0.2 0.928 84.6 43.0 -58.8 -49.8 -12.9 -128.4 174.2 77 77 A E H X S+ 0 0 110 -4,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.865 112.8 55.0 -65.6 -36.5 -15.6 -128.8 176.9 78 78 A E H > S+ 0 0 93 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.961 113.3 38.8 -61.6 -53.5 -16.8 -132.1 175.3 79 79 A V H < S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.798 109.9 61.2 -70.5 -26.9 -13.4 -133.7 175.3 80 80 A M H < S+ 0 0 35 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.862 104.2 51.1 -66.0 -32.4 -12.5 -132.3 178.7 81 81 A A H < S+ 0 0 87 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.660 91.5 98.5 -77.9 -17.5 -15.5 -134.2 180.1 82 82 A M S < S- 0 0 42 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.0 -0.458 88.8 -99.9 -73.7 144.5 -14.3 -137.5 178.5 83 83 A D > - 0 0 96 1,-0.1 4,-2.1 -2,-0.1 3,-0.3 -0.471 24.2-141.9 -65.5 124.5 -12.4 -139.9 180.7 84 84 A S H > S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.790 100.3 55.6 -58.1 -31.0 -8.7 -139.6 180.1 85 85 A V H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 108.2 46.8 -69.2 -42.1 -8.2 -143.4 180.4 86 86 A K H > S+ 0 0 112 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.869 112.1 53.0 -66.2 -35.3 -10.8 -144.0 177.7 87 87 A L H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.925 108.8 47.2 -65.6 -45.1 -9.0 -141.4 175.7 88 88 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.851 110.6 54.6 -64.6 -33.8 -5.6 -143.0 176.1 89 89 A N H X S+ 0 0 24 -4,-2.0 4,-1.6 1,-0.2 3,-0.4 0.945 105.8 51.5 -64.0 -47.2 -7.3 -146.3 175.1 90 90 A M H < S+ 0 0 31 -4,-2.4 6,-0.3 1,-0.2 -2,-0.2 0.873 103.2 60.3 -57.4 -39.5 -8.6 -144.8 171.9 91 91 A L H < S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.3 31.1 -57.5 -43.8 -5.2 -143.6 171.0 92 92 A C H < S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.573 90.8 110.6 -93.5 -8.9 -3.6 -147.1 170.9 93 93 A D >< - 0 0 16 -4,-1.6 3,-1.8 1,-0.2 873,-0.1 -0.526 61.4-149.9 -67.1 115.0 -6.8 -148.9 169.8 94 94 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 872,-0.1 0.716 92.6 57.3 -60.8 -18.7 -6.0 -150.0 166.2 95 95 A N T 3 S+ 0 0 80 867,-0.1 2,-0.7 1,-0.1 -2,-0.1 0.312 84.1 84.2 -98.8 9.3 -9.7 -149.7 165.3 96 96 A V S < S- 0 0 31 -3,-1.8 5,-0.1 -6,-0.3 -1,-0.1 -0.929 84.7-127.6-111.0 104.2 -10.3 -146.1 166.3 97 97 A K >> - 0 0 128 -2,-0.7 4,-1.0 1,-0.1 3,-0.9 -0.056 7.0-125.8 -53.4 149.8 -9.2 -144.1 163.2 98 98 A R H >> S+ 0 0 33 426,-0.3 4,-2.5 1,-0.3 3,-0.9 0.907 112.6 59.6 -61.1 -41.9 -6.7 -141.2 163.3 99 99 A S H 34 S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.740 104.9 49.8 -60.3 -23.7 -9.3 -139.0 161.6 100 100 A E H <4 S+ 0 0 117 -3,-0.9 4,-0.3 2,-0.1 -1,-0.3 0.688 113.8 45.9 -87.6 -19.6 -11.7 -139.7 164.5 101 101 A I H XX S+ 0 0 5 -4,-1.0 4,-2.5 -3,-0.9 3,-1.6 0.923 98.0 65.4 -88.2 -49.6 -9.1 -138.8 167.1 102 102 A V H 3X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.3 5,-0.2 0.837 97.3 56.2 -42.7 -48.4 -7.5 -135.6 165.8 103 103 A P H 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -28,-0.2 0.869 115.8 39.6 -56.4 -33.9 -10.8 -133.6 166.2 104 104 A L H X4 S+ 0 0 14 -3,-1.6 3,-1.1 -4,-0.3 4,-0.3 0.900 114.1 49.6 -82.6 -44.4 -10.8 -134.5 169.8 105 105 A T H >< S+ 0 0 2 -4,-2.5 3,-1.5 1,-0.3 -3,-0.2 0.897 108.0 54.7 -63.3 -38.8 -7.0 -134.3 170.7 106 106 A T T 3< S+ 0 0 19 -4,-2.5 -34,-2.8 -5,-0.3 -1,-0.3 0.597 105.6 55.7 -70.4 -8.9 -6.8 -130.8 169.1 107 107 A A T < S+ 0 0 1 -3,-1.1 -1,-0.3 -36,-0.2 -2,-0.2 0.460 88.9 99.2 -98.8 -6.0 -9.7 -129.8 171.5 108 108 A M S < S- 0 0 4 -3,-1.5 -36,-0.2 -4,-0.3 -32,-0.1 -0.500 74.6-123.3 -81.8 151.3 -7.7 -130.9 174.6 109 109 A T > - 0 0 0 -2,-0.2 4,-2.2 -33,-0.2 5,-0.3 -0.480 34.5-101.5 -84.4 164.5 -5.9 -128.4 176.7 110 110 A P H > S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.921 124.5 47.5 -54.7 -44.2 -2.2 -129.1 177.3 111 111 A A H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.903 109.7 55.1 -64.3 -38.9 -2.8 -130.5 180.8 112 112 A K H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 109.0 44.3 -60.1 -50.5 -5.6 -132.7 179.4 113 113 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.826 112.1 53.4 -67.4 -29.6 -3.5 -134.4 176.7 114 114 A V H X S+ 0 0 10 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.900 108.3 50.7 -69.5 -38.3 -0.6 -134.9 179.1 115 115 A E H < S+ 0 0 75 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.922 110.4 51.6 -63.1 -42.7 -3.0 -136.6 181.5 116 116 A V H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.973 113.2 40.0 -58.9 -59.2 -4.2 -138.8 178.7 117 117 A V H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.720 103.3 70.8 -67.3 -19.2 -0.8 -140.1 177.5 118 118 A S T 3< S+ 0 0 13 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.653 88.7 63.7 -71.8 -12.8 0.5 -140.4 181.0 119 119 A H T < S+ 0 0 61 -3,-1.6 1282,-1.3 -4,-0.5 -1,-0.3 0.531 92.8 89.6 -84.1 -7.7 -1.8 -143.4 181.5 120 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53.0-130.6 -65.0 128.2 16.8 -133.8 149.7 198 198 A L E -h 168 0E 0 -31,-2.2 -29,-2.6 -2,-0.2 2,-0.3 -0.615 23.4-159.5 -84.3 141.2 15.9 -130.8 151.8 199 199 A T E +h 169 0E 1 -2,-0.3 19,-3.1 -31,-0.2 20,-1.5 -0.928 12.0 178.7-126.5 148.8 18.7 -128.8 153.6 200 200 A Q E -h 170 0E 1 -31,-1.6 -29,-1.9 -2,-0.3 2,-0.4 -0.938 19.0-149.3-140.4 159.6 18.8 -126.4 156.5 201 201 A C E -h 171 0E 0 18,-0.4 2,-0.6 -2,-0.3 -29,-0.2 -0.927 22.1-141.2-134.8 106.8 21.5 -124.4 158.4 202 202 A S + 0 0 9 -31,-2.2 -29,-0.5 -2,-0.4 2,-0.2 -0.589 42.6 133.5 -78.2 113.3 20.7 -123.9 162.1 203 203 A L - 0 0 30 -2,-0.6 454,-0.1 1,-0.2 2,-0.1 -0.620 62.7 -46.4-138.3-167.6 21.7 -120.4 163.3 204 204 A E > - 0 0 16 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.430 67.9-108.0 -65.3 149.3 20.4 -117.4 165.3 205 205 A E H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.908 114.2 41.5 -50.3 -60.8 16.9 -116.7 164.1 206 206 A A H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 115.8 53.1 -57.6 -39.6 17.4 -113.4 162.1 207 207 A T H > S+ 0 0 46 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19.8-126.1-130.9 156.4 9.8 -122.6 175.0 227 227 A G S S+ 0 0 0 -2,-0.3 2,-0.3 4,-0.0 55,-0.1 0.571 90.4 41.9 -74.0 -15.1 7.6 -123.8 177.8 228 228 A T S > S- 0 0 0 1,-0.1 4,-2.7 -166,-0.0 5,-0.2 -0.979 78.3-122.6-134.5 150.4 7.8 -120.8 180.2 229 229 A E H > S+ 0 0 15 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.873 109.6 50.3 -57.7 -44.1 7.8 -117.1 179.6 230 230 A P H > S+ 0 0 34 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.923 114.1 45.2 -63.3 -41.6 11.2 -116.3 181.2 231 231 A V H > S+ 0 0 0 39,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.912 111.2 52.2 -67.2 -42.1 12.9 -119.1 179.2 232 232 A F H <>S+ 0 0 3 -4,-2.7 5,-1.4 1,-0.2 -1,-0.2 0.917 109.0 53.2 -59.2 -40.6 11.2 -118.0 176.0 233 233 A T H ><5S+ 0 0 10 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.916 108.3 46.2 -61.7 -46.2 12.5 -114.5 176.8 234 234 A D H 3<5S+ 0 0 16 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.717 104.8 64.0 -68.9 -17.8 16.1 -115.6 177.2 235 235 A G T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.476 117.6-121.4 -80.1 -2.3 15.4 -117.5 174.0 236 236 A D T < 5S+ 0 0 0 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.864 77.3 77.6 63.4 43.3 15.0 -114.0 172.6 237 237 A D < - 0 0 1 -5,-1.4 -1,-0.2 589,-0.1 -2,-0.2 -0.948 58.4-146.8-160.7 176.2 11.4 -114.4 171.3 238 238 A T > - 0 0 3 -2,-0.3 4,-2.2 -3,-0.1 5,-0.3 -0.875 45.7 -93.4-142.1 169.1 7.7 -114.5 172.4 239 239 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.887 126.1 50.3 -57.6 -35.4 4.9 -116.6 170.9 240 240 A W H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.874 107.8 49.8 -71.6 -37.6 4.0 -113.6 168.6 241 241 A S H > S+ 0 0 0 584,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.913 115.5 44.6 -68.2 -39.0 7.5 -113.0 167.3 242 242 A K H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.871 111.9 52.8 -71.8 -34.3 7.9 -116.7 166.5 243 243 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.937 111.6 46.1 -64.0 -44.7 4.4 -116.8 165.0 244 244 A F H X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.880 111.5 52.5 -64.0 -38.7 5.3 -113.9 162.7 245 245 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.905 104.9 55.7 -64.0 -41.2 8.6 -115.6 161.9 246 246 A A H X S+ 0 0 0 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4,-2.0 1,-0.1 -245,-0.2 -0.316 31.6-114.9 -70.6 157.7 7.3 -131.3 185.0 276 276 A M H > S+ 0 0 1 -247,-2.2 4,-2.1 -249,-0.3 -245,-0.2 0.895 113.8 51.9 -60.0 -43.9 9.2 -131.5 181.7 277 277 A L H > S+ 0 0 0 -247,-2.6 4,-2.4 -248,-0.2 -1,-0.2 0.897 108.2 50.5 -62.8 -43.0 6.3 -133.1 179.8 278 278 A Y H > S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.934 112.7 46.0 -62.6 -45.0 3.8 -130.5 180.9 279 279 A L H X S+ 0 0 2 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.857 112.2 51.6 -66.3 -33.2 6.0 -127.7 179.8 280 280 A E H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.883 103.8 58.5 -69.6 -36.5 6.8 -129.5 176.5 281 281 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.910 103.2 52.5 -58.3 -42.4 3.0 -129.9 176.0 282 282 A R H X S+ 0 0 5 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.907 108.4 51.4 -59.6 -41.0 2.7 -126.1 176.1 283 283 A C H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.916 107.4 51.9 -61.7 -43.7 5.5 -125.9 173.5 284 284 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.881 111.7 46.8 -61.3 -38.0 3.6 -128.3 171.2 285 285 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0.746 95.2 56.5 -66.3 -20.4 20.7 -135.0 179.4 305 305 A V H X> S+ 0 0 0 -3,-2.6 3,-0.8 -43,-0.2 4,-0.6 0.985 111.8 32.4 -77.8 -64.5 17.9 -133.5 181.5 306 306 A P H >4 S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 6,-0.2 0.896 116.1 59.0 -62.5 -35.1 15.0 -135.9 181.2 307 307 A S H 3< S+ 0 0 2 -4,-1.7 5,-0.2 1,-0.3 -2,-0.2 0.779 96.1 64.2 -63.6 -24.0 17.3 -138.9 180.9 308 308 A A H << S+ 0 0 0 -3,-0.8 -288,-2.4 -4,-0.5 -1,-0.3 0.737 103.5 55.2 -70.7 -21.8 18.8 -138.0 184.3 309 309 A V S X< S- 0 0 0 -3,-1.4 3,-1.3 -4,-0.6 4,-0.2 -0.640 100.0 -75.4-111.7 167.5 15.5 -138.7 186.0 310 310 A P T 3 S+ 0 0 5 0, 0.0 -280,-0.5 0, 0.0 -279,-0.3 -0.242 112.1 6.6 -60.9 145.6 12.9 -141.6 186.2 311 311 A S T 3> S+ 0 0 4 954,-2.9 4,-1.8 953,-0.1 955,-0.2 0.729 88.5 134.7 53.7 25.6 10.7 -142.3 183.2 312 312 A G H <> + 0 0 0 -3,-1.3 4,-1.9 -6,-0.2 -5,-0.2 0.934 69.7 44.4 -68.5 -47.9 12.6 -139.7 181.3 313 313 A I H > S+ 0 0 3 953,-0.5 4,-1.6 -4,-0.2 954,-0.2 0.812 113.4 53.4 -66.9 -29.5 13.0 -141.7 178.0 314 314 A R H > 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27.1 -97.8-146.3 156.3 19.6 -148.6 153.1 402 402 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 141,-0.1 -0.409 45.6-165.0 -69.0 152.4 22.8 -150.6 152.6 403 403 A V - 0 0 21 -2,-0.0 2,-0.3 4,-0.0 -239,-0.1 -0.970 19.4-112.0-140.9 156.3 25.2 -149.0 150.1 404 404 A R > - 0 0 133 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.674 19.6-133.3 -90.0 141.6 28.2 -150.0 148.1 405 405 A E H > S+ 0 0 45 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.901 106.5 55.0 -57.2 -43.2 31.6 -148.4 148.8 406 406 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 108.6 47.6 -59.6 -40.8 32.2 -147.8 145.1 407 407 A D H > S+ 0 0 45 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.925 113.0 47.8 -67.2 -44.5 28.9 -145.9 144.7 408 408 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.915 110.7 51.6 -63.2 -42.7 29.6 -143.8 147.8 409 409 A I H X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.939 112.7 46.0 -59.6 -46.0 33.1 -143.0 146.7 410 410 A A H X S+ 0 0 61 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.906 114.9 46.5 -64.2 -41.7 31.8 -141.8 143.3 411 411 A I H X S+ 0 0 23 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.904 113.3 48.2 -69.3 -39.5 29.0 -139.8 144.8 412 412 A R H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.926 112.5 50.3 -65.4 -42.3 31.3 -138.1 147.4 413 413 A N H X S+ 0 0 32 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.894 110.5 48.0 -62.8 -42.5 33.8 -137.4 144.6 414 414 A K H X S+ 0 0 60 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.878 110.8 52.1 -67.4 -35.9 31.2 -135.8 142.4 415 415 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.922 111.3 46.5 -65.3 -43.6 29.9 -133.7 145.3 416 416 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.895 114.2 47.7 -65.6 -41.3 33.4 -132.4 146.1 417 417 A R H X S+ 0 0 93 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.881 109.4 53.7 -67.6 -37.5 34.1 -131.6 142.4 418 418 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.910 110.7 46.1 -63.6 -40.4 30.7 -129.9 142.0 419 419 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.870 107.1 58.3 -69.9 -35.4 31.5 -127.7 145.0 420 420 A Q H X S+ 0 0 45 -4,-2.0 4,-2.1 1,-0.2 11,-0.2 0.907 107.4 47.7 -59.2 -41.2 35.0 -127.0 143.6 421 421 A A H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.839 110.4 52.7 -68.6 -33.6 33.3 -125.7 140.5 422 422 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.937 110.5 46.0 -67.4 -46.9 31.0 -123.5 142.6 423 423 A F H <>S+ 0 0 1 -4,-2.8 5,-3.1 2,-0.2 4,-0.5 0.901 115.4 47.3 -62.8 -40.4 33.9 -121.9 144.5 424 424 A A H ><5S+ 0 0 75 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.939 114.6 47.0 -66.2 -46.2 35.8 -121.3 141.3 425 425 A G H 3<5S+ 0 0 52 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.864 115.9 43.4 -64.4 -37.3 32.7 -119.9 139.6 426 426 A M T 3<5S- 0 0 7 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.405 113.1-114.9 -90.1 2.9 31.8 -117.6 142.5 427 427 A G T < 5 + 0 0 47 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.907 63.2 149.0 66.4 44.4 35.4 -116.5 143.1 428 428 A L < - 0 0 9 -5,-3.1 -1,-0.2 -6,-0.1 3,-0.1 -0.620 63.2 -65.4-104.2 164.0 35.7 -118.0 146.6 429 429 A P S S- 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.296 73.9-101.4 -51.7 121.6 38.9 -119.4 148.2 430 430 A P - 0 0 100 0, 0.0 2,-0.6 0, 0.0 -10,-0.1 0.062 19.4-140.9 -48.3 148.0 39.8 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24.3 -60.2 -46.9 36.3 -138.4 148.6 441 441 A Y H < S+ 0 0 35 -4,-1.9 436,-3.0 -3,-0.1 437,-0.3 0.331 97.2 119.8-104.4 6.4 37.9 -140.9 150.9 442 442 A A < - 0 0 0 -4,-1.0 436,-0.5 -3,-0.2 3,-0.1 -0.248 42.4-169.7 -74.2 159.3 37.6 -139.2 154.2 443 443 A H S S- 0 0 19 1,-0.4 2,-0.2 434,-0.2 -1,-0.1 0.640 76.5 -17.8-109.5 -40.3 35.8 -140.5 157.3 444 444 A G S > S- 0 0 0 -77,-0.1 3,-2.2 -74,-0.0 -1,-0.4 -0.860 84.3 -72.0-152.7-174.5 36.1 -137.2 159.2 445 445 A S G > S+ 0 0 4 1,-0.3 3,-1.6 -2,-0.2 -299,-0.0 0.693 116.5 75.8 -62.5 -17.7 37.9 -133.8 159.3 446 446 A K G 3 S+ 0 0 157 1,-0.3 -1,-0.3 3,-0.0 -4,-0.0 0.662 97.1 48.7 -67.3 -13.8 41.0 -135.6 160.6 447 447 A D G < S+ 0 0 53 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.359 96.3 91.6-106.0 3.7 41.4 -136.7 157.0 448 448 A M S < S- 0 0 10 -3,-1.6 2,-0.1 -4,-0.1 -13,-0.1 -0.794 79.3-117.2-102.9 139.8 41.0 -133.2 155.5 449 449 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.462 43.6 -96.8 -71.1 146.7 43.8 -130.8 154.9 450 450 A E - 0 0 144 -2,-0.1 2,-0.2 1,-0.1 -302,-0.0 -0.381 39.6-149.0 -65.8 139.6 43.5 -127.6 156.9 451 451 A R - 0 0 34 -2,-0.1 2,-1.4 -303,-0.1 3,-0.1 -0.667 28.6 -98.3-105.1 163.6 41.9 -124.6 155.1 452 452 A N > - 0 0 95 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 -0.686 42.8-176.9 -81.2 94.7 42.6 -120.9 155.6 453 453 A I H > S+ 0 0 24 -2,-1.4 4,-2.7 1,-0.2 5,-0.3 0.894 76.7 55.9 -62.5 -43.0 39.6 -120.2 157.9 454 454 A V H > S+ 0 0 29 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.915 111.7 44.6 -56.9 -43.0 40.2 -116.5 158.1 455 455 A E H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 111.7 53.0 -69.5 -40.3 40.0 -116.2 154.3 456 456 A D H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.951 109.5 46.4 -60.8 -51.1 37.0 -118.5 154.1 457 457 A I H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.793 106.3 61.3 -65.5 -24.9 34.9 -116.5 156.6 458 458 A K H X S+ 0 0 101 -4,-1.2 4,-1.1 -5,-0.3 -1,-0.2 0.968 113.0 35.1 -63.4 -52.0 35.9 -113.3 154.9 459 459 A F H X S+ 0 0 45 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.831 112.1 61.8 -70.6 -32.5 34.3 -114.4 151.6 460 460 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-0.4 0.920 106.5 46.0 -59.7 -42.5 31.5 -116.2 153.4 461 461 A Q H X S+ 0 0 55 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.796 103.3 62.4 -71.3 -27.7 30.4 -112.9 154.9 462 462 A E H X S+ 0 0 53 -4,-1.1 4,-1.9 1,-0.2 6,-0.3 0.818 97.6 59.8 -66.5 -27.3 30.6 -111.1 151.5 463 463 A I H <>S+ 0 0 0 -4,-1.3 5,-2.4 -3,-0.4 -1,-0.2 0.931 113.3 36.6 -64.1 -43.2 27.9 -113.5 150.3 464 464 A I H ><5S+ 0 0 28 -4,-1.0 3,-1.0 3,-0.2 -2,-0.2 0.959 119.6 46.0 -72.2 -54.0 25.6 -112.2 153.0 465 465 A N H 3<5S+ 0 0 120 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.717 119.6 40.2 -65.7 -23.7 26.6 -108.5 153.0 466 466 A K T 3<5S- 0 0 132 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.378 108.6-124.4-103.9 2.4 26.5 -108.3 149.2 467 467 A N T < 5 - 0 0 82 -3,-1.0 2,-0.8 1,-0.2 -3,-0.2 0.893 37.3-178.7 56.7 45.8 23.4 -110.4 148.9 468 468 A R < - 0 0 41 -5,-2.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.681 18.2-154.6 -77.1 112.5 24.8 -113.0 146.6 469 469 A N > - 0 0 42 -2,-0.8 3,-1.9 -3,-0.1 4,-0.5 -0.251 27.8 -90.4 -88.5 174.7 21.8 -115.3 146.1 470 470 A G T >> S+ 0 0 4 -256,-2.2 4,-1.5 1,-0.3 3,-1.4 0.757 114.9 70.8 -53.9 -32.1 21.3 -119.0 145.2 471 471 A L H 3> S+ 0 0 14 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.761 90.1 62.3 -60.6 -23.2 21.2 -118.3 141.4 472 472 A E H <> S+ 0 0 61 -3,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.812 102.9 50.7 -70.9 -27.1 24.9 -117.5 141.5 473 473 A V H <> S+ 0 0 3 -3,-1.4 4,-2.0 -4,-0.5 -2,-0.2 0.893 108.8 50.8 -74.0 -40.5 25.4 -121.1 142.7 474 474 A V H X S+ 0 0 1 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.942 112.2 46.6 -60.7 -49.3 23.2 -122.4 139.8 475 475 A K H X S+ 0 0 45 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.906 109.2 53.9 -60.9 -44.1 25.2 -120.4 137.2 476 476 A A H X S+ 0 0 4 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.913 113.4 43.5 -57.1 -44.0 28.6 -121.5 138.7 477 477 A L H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 3,-0.3 0.925 114.4 49.5 -66.7 -46.1 27.5 -125.2 138.3 478 478 A A H <5S+ 0 0 16 -4,-2.8 3,-0.5 1,-0.2 5,-0.2 0.856 118.5 38.5 -62.4 -37.9 26.1 -124.7 134.9 479 479 A Q H <5S+ 0 0 135 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.548 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G >< + 0 0 0 -4,-0.7 3,-1.1 -246,-0.2 4,-0.3 0.448 67.2 120.3 76.2 -0.6 3.7 -123.9 148.2 500 500 A D G > + 0 0 0 -5,-0.3 3,-1.1 1,-0.2 6,-0.1 0.899 69.7 48.4 -64.8 -43.0 3.3 -127.7 147.9 501 501 A Y G 3 S+ 0 0 3 -6,-0.4 -1,-0.2 1,-0.2 5,-0.1 0.295 91.7 81.9 -83.7 14.0 6.1 -128.8 150.3 502 502 A L G < S+ 0 0 6 -3,-1.1 -1,-0.2 -247,-0.1 -246,-0.2 0.597 76.0 98.5 -87.2 -15.2 4.9 -126.3 152.9 503 503 A H S X S- 0 0 0 -3,-1.1 3,-2.2 -4,-0.3 14,-0.0 -0.306 92.4 -59.1 -75.8 158.2 2.2 -128.8 154.0 504 504 A T T 3 S- 0 0 1 1,-0.3 13,-3.1 12,-0.1 14,-0.4 -0.005 116.6 -10.6 -38.7 119.7 2.4 -131.2 156.9 505 505 A S T 3 S+ 0 0 0 11,-0.2 -1,-0.3 1,-0.2 10,-0.1 0.559 89.3 173.0 64.8 13.8 5.4 -133.6 156.8 506 506 A A < + 0 0 0 -3,-2.2 2,-0.3 -5,-0.1 10,-0.2 -0.254 8.0 159.4 -61.6 133.3 6.3 -132.7 153.2 507 507 A I E -M 515 0G 4 8,-1.3 8,-2.6 6,-0.1 2,-0.5 -0.837 36.8-116.6-137.8 172.8 9.5 -134.1 151.7 508 508 A I E +M 514 0G 8 -312,-0.5 6,-0.2 -341,-0.3 2,-0.2 -0.969 37.6 168.2-124.8 120.7 10.4 -134.4 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130.7 771 72 G N T < 5S+ 0 0 94 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.768 71.6 136.1 60.9 26.4 19.5 -113.1 133.7 772 73 G K S > - 0 0 47 -2,-0.4 3,-2.2 -3,-0.1 4,-1.3 -0.809 51.1 -80.7-134.8 176.5 16.4 -113.3 138.5 775 76 G A T 34 S+ 0 0 34 1,-0.3 3,-0.2 -2,-0.3 -305,-0.0 0.827 124.7 64.7 -46.9 -36.7 15.8 -113.8 142.2 776 77 G Q T 34 S+ 0 0 138 1,-0.2 -1,-0.3 -21,-0.0 -21,-0.1 0.822 102.5 47.3 -58.4 -34.0 13.2 -111.1 142.0 777 78 G D T <4 S+ 0 0 16 -3,-2.2 2,-1.8 1,-0.2 -21,-0.5 0.811 96.4 76.3 -78.1 -32.2 11.1 -113.2 139.7 778 79 G M < + 0 0 33 -4,-1.3 2,-0.4 -3,-0.2 -1,-0.2 -0.457 67.0 120.7 -82.7 68.7 11.4 -116.4 141.9 779 80 G R - 0 0 71 -2,-1.8 -24,-1.4 -3,-0.1 -23,-0.2 -0.996 63.6-119.0-135.3 129.4 8.9 -115.4 144.6 780 81 G I - 0 0 5 -2,-0.4 -26,-0.1 -284,-0.3 -282,-0.1 -0.289 35.8-126.6 -60.4 148.1 5.8 -117.3 145.6 781 82 G T > - 0 0 4 -28,-0.5 4,-1.9 -284,-0.4 5,-0.2 -0.570 13.5-118.9 -99.7 162.3 2.6 -115.3 145.2 782 83 G P H > S+ 0 0 30 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.817 115.8 59.5 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111.5 50.4 -57.5 -43.5 -4.9 -126.8 154.4 793 94 G K H ><5S+ 0 0 115 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.886 109.0 49.8 -61.3 -41.9 -8.4 -125.9 155.5 794 95 G D H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.782 105.8 57.5 -69.8 -25.6 -9.9 -128.8 153.5 795 96 G A T 3<5S- 0 0 32 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.381 124.9-106.4 -84.2 4.3 -7.4 -131.1 155.1 796 97 G G T < 5S+ 0 0 53 -3,-1.4 2,-0.7 -5,-0.2 -3,-0.2 0.654 82.7 127.4 81.3 17.2 -8.8 -130.0 158.5 797 98 G R >< + 0 0 20 -5,-2.8 4,-1.7 -6,-0.2 -1,-0.1 -0.703 23.9 166.0-111.3 81.1 -5.9 -127.8 159.4 798 99 G D H > S+ 0 0 67 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.901 74.9 47.7 -59.7 -50.6 -7.3 -124.4 160.3 799 100 G R H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 110.1 53.4 -62.9 -39.7 -4.4 -122.9 162.0 800 101 G L H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 109.8 49.1 -60.3 -40.2 -2.0 -123.9 159.2 801 102 G A H X S+ 0 0 8 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.931 108.4 53.3 -62.7 -45.5 -4.4 -122.2 156.8 802 103 G M H X S+ 0 0 44 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 108.0 51.4 -54.5 -45.8 -4.4 -119.1 159.0 803 104 G N H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.926 109.7 48.7 -59.2 -46.3 -0.6 -119.2 158.8 804 105 G F H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.855 108.7 53.9 -62.9 -35.6 -0.7 -119.4 155.0 805 106 G E H X S+ 0 0 67 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.912 110.4 46.7 -64.3 -43.1 -3.2 -116.5 154.9 806 107 G R H X S+ 0 0 5 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.919 111.4 51.6 -63.7 -43.5 -0.8 -114.4 157.0 807 108 G A H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.869 102.6 60.7 -61.6 -36.8 2.1 -115.4 154.7 808 109 G A H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.900 106.5 46.0 -57.5 -42.0 0.0 -114.3 151.7 809 110 G E H >< S+ 0 0 10 -4,-1.4 3,-1.0 -3,-0.3 -1,-0.2 0.859 108.2 56.9 -68.7 -37.3 -0.1 -110.8 153.1 810 111 G L H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.572 83.9 80.5 -73.6 -10.5 3.7 -110.8 153.9 811 112 G T T << S+ 0 0 27 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 0.854 91.3 55.4 -62.9 -31.6 4.7 -111.6 150.3 812 113 G A 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44.7-104.5 -95.0 165.5 7.8 -99.3 172.8 832 133 G K H > S+ 0 0 89 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.909 120.8 53.9 -60.6 -40.3 4.1 -99.9 172.4 833 134 G E H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 103.1 54.6 -64.0 -35.4 3.8 -97.0 169.9 834 135 G E H > S+ 0 0 86 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 111.3 46.6 -65.2 -40.6 6.5 -98.4 167.6 835 136 G L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.915 111.4 50.1 -65.8 -44.0 4.6 -101.6 167.4 836 137 G L H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.865 109.9 52.3 -62.7 -34.6 1.3 -99.9 166.8 837 138 G A H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.883 107.0 52.2 -67.4 -39.0 3.0 -97.9 164.1 838 139 G I H X S+ 0 0 15 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.905 108.8 51.4 -62.6 -41.2 4.2 -101.1 162.5 839 140 G A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.926 110.2 48.0 -61.7 -46.6 0.6 -102.4 162.6 840 141 G D H X S+ 0 0 83 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.891 112.4 49.6 -63.0 -39.0 -0.6 -99.2 160.8 841 142 G D H X>S+ 0 0 22 -4,-2.4 4,-2.8 2,-0.2 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41,-0.2 0, 0.0 -1,-0.2 -0.106 111.1 -7.1 -50.5 133.1 13.5 -194.0 169.7 1700 129 M Y T 3 S+ 0 0 59 39,-2.6 42,-0.3 2,-0.1 40,-0.2 0.544 99.3 113.3 59.9 13.1 14.6 -197.5 168.7 1701 130 M R < + 0 0 69 -3,-1.5 2,-0.3 38,-0.4 39,-0.1 0.863 69.6 35.1 -81.9 -36.8 14.6 -198.8 172.2 1702 131 M S - 0 0 9 -4,-0.4 39,-2.6 -6,-0.4 2,-0.2 -0.780 65.8-125.5-125.0 164.5 11.8 -201.3 172.2 1703 132 M T > - 0 0 41 -2,-0.3 4,-1.7 37,-0.2 5,-0.2 -0.605 41.6-109.0 -93.1 160.5 9.9 -203.9 170.1 1704 133 M K H > S+ 0 0 73 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.912 119.9 56.8 -58.0 -40.6 6.2 -203.5 169.7 1705 134 M E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 103.9 51.1 -57.0 -45.3 5.7 -206.5 172.0 1706 135 M E H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 109.2 51.1 -62.4 -39.2 7.7 -204.9 174.9 1707 136 M L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.933 111.1 46.5 -64.5 -46.2 5.7 -201.7 174.7 1708 137 M L H X S+ 0 0 55 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.862 109.7 56.2 -63.3 -34.1 2.4 -203.6 174.9 1709 138 M A 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