==== 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 HYDROLASE 19-FEB-06 2G3F . COMPND 2 MOLECULE: IMIDAZOLONEPROPIONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.YU,Y.H.LIANG,X.D.SU . 828 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.2 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 76 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.9 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 4 8 4 0 2 4 2 0 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 5 8 1 2 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 PARALLEL BRIDGES PER LADDER . 4 0 0 6 0 4 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 4 0 0 0 2 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 P 0 0 147 0, 0.0 2,-2.3 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 152.7 34.2 -9.3 -1.0 2 3 A K + 0 0 111 55,-0.1 57,-2.3 56,-0.0 2,-0.5 -0.287 360.0 119.0 -78.5 55.7 32.3 -8.2 2.1 3 4 A Q E +a 59 0A 109 -2,-2.3 2,-0.3 55,-0.2 57,-0.2 -0.935 40.8 167.2-124.1 101.5 34.4 -10.3 4.4 4 5 A I E -a 60 0A 7 55,-1.9 57,-1.2 -2,-0.5 58,-0.2 -0.811 42.7-122.9-123.2 162.2 36.2 -8.1 6.9 5 6 A D E S+ 0 0 59 -2,-0.3 57,-1.4 55,-0.2 56,-0.5 0.917 84.7 9.3 -62.8 -53.0 38.2 -8.3 10.2 6 7 A T E -aB 62 41A 7 35,-3.1 35,-3.7 55,-0.2 2,-0.3 -0.963 48.9-173.6-140.7 153.2 36.2 -6.1 12.5 7 8 A I E -aB 63 40A 10 55,-2.2 57,-3.0 -2,-0.3 2,-0.5 -0.977 14.9-149.4-145.5 127.8 33.0 -4.1 13.0 8 9 A L E -aB 64 39A 0 31,-2.9 31,-1.7 -2,-0.3 2,-0.3 -0.855 25.7-174.0 -96.1 129.9 32.0 -1.8 15.8 9 10 A I E +a 65 0A 46 55,-2.8 57,-2.9 -2,-0.5 58,-0.2 -0.775 53.1 30.4-121.1 169.0 28.3 -1.8 16.4 10 11 A N E + 0 0 69 -2,-0.3 58,-2.6 1,-0.2 2,-0.7 0.921 68.2 174.7 50.3 53.1 25.8 0.2 18.5 11 12 A I E - B 0 37A 1 26,-2.0 26,-2.5 -3,-0.2 25,-0.3 -0.816 22.4-155.7 -89.5 117.4 27.9 3.4 18.5 12 13 A G E S+ 0 0 18 57,-1.0 24,-1.6 -2,-0.7 2,-0.4 0.933 79.2 5.4 -59.8 -46.2 25.9 6.0 20.3 13 14 A Q E -cB 70 35A 14 56,-1.3 58,-2.8 22,-0.2 2,-0.5 -0.988 68.7-165.0-144.1 129.5 27.6 8.9 18.5 14 15 A L E -cB 71 34A 0 20,-2.7 20,-2.0 -2,-0.4 2,-0.6 -0.967 3.8-167.7-121.0 127.2 30.2 8.7 15.7 15 16 A L + 0 0 0 56,-2.4 18,-0.1 -2,-0.5 358,-0.1 -0.930 10.9 172.3-113.3 106.7 32.4 11.6 14.6 16 17 A T - 0 0 4 -2,-0.6 357,-2.1 16,-0.5 3,-0.1 0.759 26.7-150.9 -83.3 -25.6 34.1 10.8 11.3 17 18 A M - 0 0 4 15,-0.4 357,-0.1 1,-0.2 16,-0.1 0.700 25.8-177.3 62.2 18.6 35.6 14.3 10.9 18 19 A E + 0 0 116 355,-0.2 2,-0.3 14,-0.1 -1,-0.2 -0.270 12.0 155.1 -54.3 126.0 35.4 13.7 7.2 19 20 A S - 0 0 12 -3,-0.1 4,-0.1 339,-0.0 -1,-0.0 -0.951 50.1-136.2-148.3 163.6 36.8 16.7 5.4 20 21 A S S S- 0 0 99 -2,-0.3 -2,-0.1 1,-0.2 762,-0.1 0.368 88.0 -21.0-104.0 2.1 38.4 17.6 2.1 21 22 A G S S- 0 0 15 415,-0.1 -1,-0.2 346,-0.0 338,-0.1 -0.964 99.4 -36.7 174.9-178.1 41.1 19.7 3.8 22 23 A P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.209 62.0-117.6 -59.3 154.1 41.9 21.7 7.0 23 24 A R - 0 0 33 331,-0.2 295,-0.5 295,-0.1 2,-0.3 -0.863 35.7-179.8-103.6 119.1 38.9 23.5 8.6 24 25 A A > - 0 0 31 -2,-0.6 3,-1.7 293,-0.2 4,-0.3 -0.825 47.4 -27.5-115.8 154.4 39.1 27.2 8.8 25 26 A G G > S+ 0 0 6 291,-1.7 3,-2.0 -2,-0.3 4,-0.3 -0.120 130.1 3.8 47.8-132.0 36.8 29.8 10.2 26 27 A K G >> S+ 0 0 176 1,-0.3 3,-2.0 2,-0.2 4,-0.7 0.765 121.3 70.7 -54.7 -31.9 33.1 28.8 10.1 27 28 A S G <4 S+ 0 0 44 -3,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.767 86.8 68.4 -61.0 -21.1 33.9 25.3 8.8 28 29 A M G <4 S+ 0 0 0 -3,-2.0 326,-0.3 -4,-0.3 -1,-0.3 0.754 98.7 50.7 -67.6 -22.6 35.3 24.5 12.2 29 30 A Q T <4 S+ 0 0 75 -3,-2.0 2,-2.1 -4,-0.3 -1,-0.2 0.686 85.7 91.9 -87.1 -19.7 31.8 24.7 13.7 30 31 A D < + 0 0 109 -4,-0.7 2,-0.5 -3,-0.5 -1,-0.2 -0.424 56.9 172.5 -79.1 69.6 30.3 22.4 11.1 31 32 A L - 0 0 19 -2,-2.1 2,-0.7 1,-0.0 319,-0.1 -0.679 26.9-140.4 -83.4 122.2 30.7 19.1 13.0 32 33 A H - 0 0 115 -2,-0.5 2,-0.5 -14,-0.1 -16,-0.5 -0.726 21.8-169.8 -85.9 114.5 29.0 16.1 11.3 33 34 A V - 0 0 42 -2,-0.7 2,-0.5 -18,-0.1 -18,-0.2 -0.908 6.7-164.8-109.8 123.0 27.4 14.0 14.1 34 35 A I E -B 14 0A 16 -20,-2.0 -20,-2.7 -2,-0.5 2,-0.3 -0.919 8.6-152.0-110.2 124.8 26.0 10.5 13.3 35 36 A E E S+B 13 0A 122 -2,-0.5 17,-0.4 1,-0.2 -22,-0.2 -0.706 74.6 10.4 -93.6 143.4 23.7 8.8 15.8 36 37 A D E S+ 0 0 78 -24,-1.6 16,-1.9 -25,-0.3 -1,-0.2 0.986 94.8 168.7 53.6 74.3 23.5 5.0 16.2 37 38 A A E -BD 11 51A 0 -26,-2.5 -26,-2.0 -3,-0.3 2,-0.3 -0.558 30.4-148.3-116.8 178.8 26.5 4.3 13.9 38 39 A V E - D 0 50A 2 12,-2.9 12,-2.1 -2,-0.2 2,-0.4 -0.971 2.8-155.5-144.0 154.5 28.8 1.5 12.8 39 40 A V E -BD 8 49A 0 -31,-1.7 -31,-2.9 -2,-0.3 2,-0.5 -0.990 7.9-155.8-137.2 127.2 32.5 1.2 11.7 40 41 A G E -BD 7 48A 0 8,-3.4 7,-3.5 -2,-0.4 8,-1.2 -0.874 12.3-173.5-106.2 133.5 33.9 -1.5 9.5 41 42 A I E +BD 6 46A 2 -35,-3.7 -35,-3.1 -2,-0.5 2,-0.3 -0.977 9.0 168.2-130.2 137.4 37.6 -2.4 9.6 42 43 A H E > - D 0 45A 50 3,-2.7 3,-2.3 -2,-0.4 337,-0.1 -0.985 68.7 -6.1-148.7 134.5 39.7 -4.7 7.5 43 44 A E T 3 S- 0 0 105 -2,-0.3 3,-0.1 1,-0.3 365,-0.1 0.883 127.9 -54.8 49.1 46.2 43.5 -5.2 7.2 44 45 A Q T 3 S+ 0 0 106 1,-0.2 335,-3.0 364,-0.1 2,-0.3 0.405 119.0 103.3 73.2 -1.5 44.2 -2.3 9.5 45 46 A K E < S-DE 42 378A 93 -3,-2.3 -3,-2.7 333,-0.3 2,-0.3 -0.803 77.2-106.6-116.1 156.5 42.1 0.1 7.3 46 47 A I E +D 41 0A 4 331,-2.8 330,-2.6 328,-0.3 -5,-0.3 -0.616 30.8 176.9 -77.6 130.1 38.6 1.7 7.6 47 48 A V E - 0 0 46 -7,-3.5 2,-0.3 1,-0.4 328,-0.2 0.809 68.4 -10.7 -98.9 -45.5 36.2 0.1 5.2 48 49 A F E -D 40 0A 23 -8,-1.2 -8,-3.4 326,-0.1 -1,-0.4 -0.986 52.9-178.9-153.0 156.2 33.1 2.0 6.2 49 50 A A E +D 39 0A 24 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.755 44.5 74.8-161.0 106.7 32.0 4.4 9.0 50 51 A G E S+D 38 0A 10 -12,-2.1 -12,-2.9 -2,-0.2 3,-0.1 -0.908 73.1 1.6-178.2-153.5 28.5 5.8 9.1 51 52 A Q E > S-D 37 0A 147 -2,-0.3 3,-2.0 -14,-0.2 -14,-0.2 -0.178 80.3 -87.5 -59.5 146.0 24.8 5.1 9.9 52 53 A K T 3 S+ 0 0 122 -16,-1.9 -1,-0.1 -17,-0.4 -15,-0.1 -0.272 115.7 50.2 -51.7 134.7 23.7 1.7 11.1 53 54 A G T > S+ 0 0 37 -3,-0.1 3,-2.5 -16,-0.0 -1,-0.2 -0.080 76.3 97.7 121.7 -31.9 23.0 -0.4 8.0 54 55 A A T < S+ 0 0 46 -3,-2.0 -2,-0.1 1,-0.3 -3,-0.1 0.719 78.0 64.4 -60.7 -19.6 26.3 0.3 6.2 55 56 A E T > S+ 0 0 47 -4,-0.2 3,-2.1 2,-0.1 -1,-0.3 0.427 75.2 136.1 -84.4 2.7 27.4 -3.1 7.6 56 57 A A T < S+ 0 0 68 -3,-2.5 3,-0.1 1,-0.3 -4,-0.0 -0.226 73.1 9.4 -54.0 130.5 24.7 -4.8 5.6 57 58 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 -54,-0.0 -1,-0.3 0.333 99.5 126.1 82.8 -9.5 25.9 -7.9 3.9 58 59 A Y < - 0 0 63 -3,-2.1 2,-0.5 -55,-0.1 -1,-0.3 -0.614 46.7-155.7 -87.0 142.5 29.3 -7.9 5.7 59 60 A E E -a 3 0A 124 -57,-2.3 -55,-1.9 -2,-0.3 2,-0.3 -0.975 17.5-168.7-115.7 123.4 30.6 -10.8 7.7 60 61 A A E -a 4 0A 25 -2,-0.5 -55,-0.2 -57,-0.2 -54,-0.1 -0.880 26.5-149.3-117.0 148.4 33.1 -9.9 10.4 61 62 A D E S+ 0 0 140 -57,-1.2 2,-0.4 -56,-0.5 -55,-0.2 0.762 92.0 34.5 -81.6 -28.3 35.4 -11.9 12.6 62 63 A E E -a 6 0A 92 -57,-1.4 -55,-2.2 -58,-0.2 2,-0.6 -0.974 67.3-167.5-133.7 119.1 35.2 -9.6 15.5 63 64 A I E -a 7 0A 113 -2,-0.4 2,-0.7 -57,-0.2 -55,-0.2 -0.924 7.6-161.3-108.1 118.4 32.1 -7.6 16.5 64 65 A I E -a 8 0A 22 -57,-3.0 -55,-2.8 -2,-0.6 2,-0.7 -0.872 5.8-153.2-106.0 110.5 32.7 -4.9 19.0 65 66 A D E -a 9 0A 85 -2,-0.7 -55,-0.2 -57,-0.2 -57,-0.1 -0.705 5.0-166.6 -80.4 116.0 29.5 -3.6 20.8 66 67 A C > - 0 0 1 -57,-2.9 3,-2.2 -2,-0.7 -54,-0.2 0.365 27.1-134.2 -87.0 6.0 30.2 -0.1 21.8 67 68 A S T 3 - 0 0 79 1,-0.3 -56,-0.2 -58,-0.2 -57,-0.1 0.836 68.6 -52.8 44.3 47.3 27.2 0.1 24.1 68 69 A G T 3 S+ 0 0 35 -58,-2.6 -1,-0.3 1,-0.2 -57,-0.2 0.660 100.2 150.9 67.6 16.5 26.0 3.5 22.9 69 70 A R < - 0 0 67 -3,-2.2 -56,-1.3 -59,-0.5 -57,-1.0 -0.273 51.8 -99.1 -78.4 165.3 29.5 5.0 23.5 70 71 A L E -cF 13 384A 0 316,-2.1 314,-3.2 314,-0.5 2,-0.4 -0.666 37.3-167.5 -84.2 138.0 31.0 7.9 21.6 71 72 A V E +cF 14 383A 0 -58,-2.8 -56,-2.4 -2,-0.3 312,-0.2 -0.995 15.0 157.4-129.9 133.9 33.5 7.0 18.9 72 73 A T E - F 0 382A 0 310,-1.6 310,-2.6 -2,-0.4 -56,-0.1 -0.894 47.4 -77.2-144.8 171.8 35.9 9.4 17.1 73 74 A P E - F 0 381A 1 0, 0.0 308,-0.3 0, 0.0 3,-0.1 -0.273 65.1 -83.8 -67.9 163.8 39.2 9.2 15.2 74 75 A G - 0 0 1 306,-1.8 297,-0.4 307,-0.1 68,-0.2 -0.412 57.3-102.7 -65.4 147.3 42.3 8.8 17.3 75 76 A L E -i 142 0B 0 66,-2.7 68,-2.2 63,-0.1 69,-1.3 -0.347 26.9-141.3 -74.9 154.8 43.5 12.2 18.6 76 77 A V E -i 144 0B 0 280,-2.6 69,-0.2 66,-0.2 244,-0.2 -0.973 7.0-163.2-119.6 122.9 46.4 14.1 17.1 77 78 A D E -i 145 0B 0 67,-2.1 69,-2.6 -2,-0.5 244,-0.2 -0.851 11.0-174.7-106.3 92.9 48.9 16.0 19.3 78 79 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 243,-0.1 0.223 64.4 43.3 -73.2 11.4 50.6 18.3 16.7 79 80 A H + 0 0 0 67,-0.2 244,-1.8 241,-0.1 245,-0.5 -0.653 65.5 133.6-165.1 102.1 53.2 19.9 19.0 80 81 A T - 0 0 0 66,-0.4 68,-2.6 243,-0.2 245,-0.2 -0.963 43.9-147.2-145.4 162.3 55.3 18.3 21.7 81 82 A H + 0 0 4 243,-3.2 66,-0.1 -2,-0.3 68,-0.0 -0.434 40.4 159.8-122.9 49.2 59.0 18.2 22.9 82 83 A L + 0 0 1 64,-0.2 2,-0.6 243,-0.1 -1,-0.1 0.810 49.7 71.0 -41.9 -52.7 58.6 14.5 23.9 83 84 A V + 0 0 3 65,-0.4 2,-0.3 -3,-0.1 68,-0.1 -0.643 67.3 127.3 -79.3 115.0 62.3 13.6 24.1 84 85 A F - 0 0 9 -2,-0.6 2,-0.3 42,-0.2 31,-0.1 -0.976 48.5-124.3-164.4 151.4 64.1 15.2 27.0 85 86 A G S S- 0 0 1 29,-0.5 33,-0.4 -2,-0.3 32,-0.2 -0.680 70.1 -5.3-100.0 154.6 66.3 14.5 30.0 86 87 A G S S- 0 0 33 31,-0.3 2,-0.3 -2,-0.3 28,-0.1 -0.047 77.1-101.9 62.0-167.7 65.5 15.3 33.6 87 88 A S - 0 0 59 26,-0.0 3,-0.3 238,-0.0 240,-0.1 -0.957 10.2-131.2-149.7 160.6 62.6 17.4 34.8 88 89 A R > + 0 0 17 238,-0.4 3,-2.2 -2,-0.3 4,-0.3 0.050 62.1 122.5-108.8 29.8 62.1 21.0 35.9 89 90 A E G > + 0 0 112 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.854 70.0 64.4 -59.1 -32.9 60.1 20.6 39.1 90 91 A K G 3 S+ 0 0 191 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.537 92.8 64.7 -69.6 -1.5 62.8 22.5 41.1 91 92 A E G X> S+ 0 0 31 -3,-2.2 4,-1.8 1,-0.2 3,-0.6 0.563 75.6 89.2 -94.1 -11.1 62.0 25.6 39.0 92 93 A M H <> S+ 0 0 109 -3,-1.9 4,-2.5 -4,-0.3 5,-0.2 0.874 85.3 52.8 -52.6 -42.4 58.4 25.8 40.4 93 94 A N H 3> S+ 0 0 99 -4,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.835 104.2 56.0 -64.9 -34.2 59.7 28.0 43.3 94 95 A L H <4>S+ 0 0 42 -3,-0.6 5,-2.2 -4,-0.2 -1,-0.2 0.928 111.0 44.0 -63.8 -44.1 61.3 30.4 40.8 95 96 A K H ><5S+ 0 0 63 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.916 111.8 52.8 -65.6 -43.7 58.0 30.9 39.0 96 97 A L H 3<5S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.865 102.7 59.6 -59.0 -36.1 56.2 31.2 42.4 97 98 A Q T 3<5S- 0 0 134 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.428 124.7-107.2 -73.0 1.7 58.7 33.9 43.3 98 99 A G T < 5 + 0 0 64 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.649 67.1 151.3 82.9 15.0 57.4 35.8 40.3 99 100 A I < - 0 0 41 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.706 45.7-121.3 -82.2 125.5 60.5 35.3 38.0 100 101 A S > - 0 0 47 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.164 17.0-111.7 -64.4 159.5 59.3 35.3 34.4 101 102 A Y H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.925 119.2 46.6 -55.0 -48.7 59.8 32.5 32.0 102 103 A L H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.814 108.9 53.8 -67.8 -31.5 62.3 34.5 30.0 103 104 A D H > S+ 0 0 96 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.867 106.7 52.0 -71.6 -34.4 64.2 35.7 33.0 104 105 A I H ><>S+ 0 0 10 -4,-2.1 5,-2.3 1,-0.2 3,-0.6 0.936 112.1 47.4 -64.0 -43.7 64.7 32.2 34.2 105 106 A L H ><5S+ 0 0 13 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.896 108.6 52.8 -62.9 -42.4 66.1 31.4 30.7 106 107 A A H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.700 102.5 61.8 -66.6 -18.3 68.3 34.5 30.7 107 108 A Q T <<5S- 0 0 132 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.425 127.3-100.5 -85.4 -3.3 69.6 33.1 34.1 108 109 A G T < 5S+ 0 0 34 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.482 93.4 102.2 95.1 3.4 70.9 30.0 32.3 109 110 A G > < + 0 0 14 -5,-2.3 3,-1.5 -6,-0.2 -1,-0.2 -0.005 51.4 48.2 -99.1-153.5 67.9 27.9 33.4 110 111 A G T >> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 3,-1.3 -0.364 125.6 6.6 60.8-128.6 64.7 26.8 31.6 111 112 A I H 3> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.905 134.2 55.3 -51.4 -43.8 65.4 25.3 28.2 112 113 A L H <> S+ 0 0 19 -3,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.763 105.1 53.5 -63.9 -24.0 69.1 25.6 29.0 113 114 A S H <> S+ 0 0 35 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.931 110.8 44.5 -74.1 -46.2 68.6 23.5 32.2 114 115 A T H X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 -29,-0.5 0.831 107.4 61.5 -65.5 -31.9 66.8 20.7 30.3 115 116 A V H X S+ 0 0 5 -4,-2.4 4,-3.1 -5,-0.3 5,-0.3 0.936 102.6 50.0 -60.3 -46.3 69.6 21.0 27.6 116 117 A K H X S+ 0 0 131 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.926 114.7 45.0 -56.4 -45.9 72.2 20.0 30.3 117 118 A D H X S+ 0 0 56 -4,-1.6 4,-2.2 -32,-0.2 -31,-0.3 0.919 115.0 45.9 -65.1 -46.5 70.0 17.1 31.3 118 119 A T H < S+ 0 0 0 -4,-3.3 -2,-0.2 -33,-0.4 -1,-0.2 0.889 111.5 52.2 -66.4 -39.6 69.3 15.9 27.8 119 120 A R H < S+ 0 0 67 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.918 114.5 43.9 -62.0 -40.7 72.9 16.2 26.7 120 121 A A H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.804 93.4 92.7 -75.1 -32.8 74.0 14.1 29.7 121 122 A A S < S- 0 0 15 -4,-2.2 -36,-0.1 -5,-0.1 2,-0.1 -0.356 80.5-117.2 -65.4 141.7 71.3 11.4 29.4 122 123 A S > - 0 0 50 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.361 23.6-111.4 -74.7 160.5 72.3 8.4 27.4 123 124 A E H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.878 120.3 52.3 -59.8 -36.8 70.4 7.5 24.3 124 125 A E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 107.6 50.1 -68.0 -37.0 69.0 4.5 26.0 125 126 A E H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.907 110.8 49.4 -68.7 -41.1 67.7 6.5 29.0 126 127 A L H X S+ 0 0 2 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.917 110.2 51.4 -63.4 -42.9 66.0 9.0 26.8 127 128 A L H X S+ 0 0 22 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.920 111.9 46.7 -60.1 -44.8 64.3 6.2 24.9 128 129 A Q H X S+ 0 0 135 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.914 115.0 46.0 -64.2 -44.0 63.1 4.6 28.1 129 130 A K H X S+ 0 0 53 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.903 113.5 48.7 -66.6 -42.1 61.8 7.9 29.5 130 131 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.874 105.7 57.9 -67.1 -37.3 60.1 8.9 26.2 131 132 A H H X S+ 0 0 55 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.894 105.8 50.6 -59.3 -41.1 58.4 5.5 25.9 132 133 A F H X S+ 0 0 97 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.938 114.9 41.2 -63.0 -48.6 56.7 6.0 29.3 133 134 A H H X S+ 0 0 21 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.918 114.5 52.2 -67.5 -41.8 55.4 9.5 28.4 134 135 A L H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.846 108.0 51.2 -64.1 -34.2 54.4 8.5 24.9 135 136 A Q H X S+ 0 0 91 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.871 109.1 51.0 -72.1 -33.1 52.4 5.5 26.2 136 137 A R H X S+ 0 0 90 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.913 108.6 51.7 -67.7 -40.1 50.6 7.8 28.6 137 138 A M H ><>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-1.1 0.941 109.3 51.0 -58.5 -44.9 49.8 10.1 25.7 138 139 A L H ><5S+ 0 0 12 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.887 103.6 58.2 -58.1 -43.0 48.5 7.0 23.9 139 140 A S H 3<5S+ 0 0 24 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.704 102.9 54.2 -63.2 -20.7 46.3 6.1 26.9 140 141 A Y T <<5S- 0 0 50 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.357 131.1 -89.0 -94.8 4.2 44.6 9.5 26.6 141 142 A G T < 5S+ 0 0 0 -3,-1.9 -66,-2.7 1,-0.3 2,-0.6 0.369 79.9 138.2 108.8 -4.9 43.7 9.0 23.0 142 143 A T E < +i 75 0B 0 -5,-1.8 -1,-0.3 -68,-0.2 -66,-0.2 -0.659 12.0 161.3 -80.5 116.0 46.7 10.3 21.0 143 144 A T E + 0 0 1 -68,-2.2 32,-2.3 -2,-0.6 2,-0.3 0.475 69.4 35.2-110.2 -8.2 47.5 7.9 18.2 144 145 A T E S+ij 76 175B 4 -69,-1.3 -67,-2.1 30,-0.2 2,-0.3 -0.982 71.4 170.0-145.3 133.2 49.6 10.4 16.1 145 146 A A E -ij 77 176B 0 30,-2.8 32,-2.4 -2,-0.3 2,-0.4 -0.991 30.0-130.3-147.4 154.9 51.9 13.1 17.5 146 147 A E E - j 0 177B 0 -69,-2.6 2,-0.4 -2,-0.3 -66,-0.4 -0.850 25.2-166.5-102.9 138.9 54.5 15.5 16.5 147 148 A V E - j 0 178B 3 30,-3.0 32,-2.6 -2,-0.4 2,-0.3 -0.993 3.0-155.8-132.2 129.1 57.8 15.6 18.4 148 149 A K E - j 0 179B 3 -68,-2.6 -65,-0.4 -2,-0.4 32,-0.2 -0.750 6.8-147.7-104.6 148.5 60.4 18.2 18.4 149 150 A S + 0 0 3 30,-2.0 -1,-0.1 -2,-0.3 9,-0.1 -0.010 46.7 124.8 -86.9-156.9 64.1 18.0 19.2 150 151 A G + 0 0 0 -2,-0.1 -1,-0.1 32,-0.0 -35,-0.1 0.615 44.7 92.2 116.0 11.9 65.6 21.2 20.7 151 152 A Y S S+ 0 0 2 -68,-0.1 -32,-0.3 6,-0.1 -33,-0.2 0.007 83.1 58.2-122.1 24.7 67.2 20.2 24.0 152 153 A G - 0 0 0 -34,-0.1 5,-0.2 -33,-0.1 3,-0.1 0.714 64.1-173.8-115.8 -52.3 70.6 19.5 22.5 153 154 A L + 0 0 2 1,-0.2 2,-0.3 2,-0.1 3,-0.1 0.860 67.2 71.3 52.7 37.8 71.7 22.8 20.8 154 155 A E S > S- 0 0 50 1,-0.1 4,-2.0 47,-0.0 5,-0.3 -0.920 95.8-102.4-170.0 157.5 74.7 20.9 19.4 155 156 A K H > S+ 0 0 114 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.937 112.9 49.3 -55.9 -54.9 75.2 18.2 16.8 156 157 A E H > S+ 0 0 149 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 117.1 36.5 -52.5 -59.6 75.6 15.2 19.1 157 158 A T H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 114.7 53.6 -66.9 -41.4 72.6 15.7 21.3 158 159 A E H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.941 112.3 46.3 -59.7 -44.1 70.2 17.0 18.6 159 160 A L H X S+ 0 0 12 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.878 110.0 54.0 -64.4 -37.4 71.0 14.0 16.5 160 161 A K H X S+ 0 0 22 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.929 107.4 51.0 -61.8 -45.2 70.5 11.7 19.6 161 162 A Q H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.889 111.2 48.1 -59.1 -41.2 67.1 13.2 20.2 162 163 A L H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.861 109.8 51.2 -69.5 -36.8 66.1 12.6 16.5 163 164 A R H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.896 109.5 51.2 -67.0 -39.1 67.3 9.0 16.6 164 165 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.929 107.8 52.6 -62.6 -44.1 65.3 8.4 19.7 165 166 A A H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.908 109.2 50.3 -58.0 -41.5 62.2 9.8 18.0 166 167 A K H X S+ 0 0 100 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.924 110.8 48.5 -63.7 -44.3 62.8 7.4 15.1 167 168 A K H X S+ 0 0 85 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.937 111.0 50.2 -59.8 -49.6 63.1 4.4 17.5 168 169 A L H >X S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 4,-1.0 0.946 109.1 52.0 -54.0 -51.5 60.0 5.3 19.4 169 170 A H H 3< S+ 0 0 75 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.858 115.0 41.7 -54.9 -39.1 58.0 5.7 16.2 170 171 A E H 3< S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.554 115.7 50.1 -87.9 -7.3 59.1 2.2 15.0 171 172 A S H << S+ 0 0 69 -4,-1.2 -2,-0.2 -3,-1.1 -1,-0.2 0.416 110.5 31.0-113.1 1.5 58.7 0.5 18.4 172 173 A Q S < S- 0 0 30 -4,-1.0 -1,-0.0 -3,-0.3 -37,-0.0 -0.960 85.0 -95.9-150.5 167.6 55.2 1.4 19.6 173 174 A P S S+ 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.818 86.9 95.0 -57.5 -39.4 51.7 2.3 18.2 174 175 A V S S- 0 0 0 1,-0.1 2,-0.4 -30,-0.1 -30,-0.2 -0.364 71.1-136.1 -61.7 126.1 51.8 6.1 18.2 175 176 A D E -j 144 0B 53 -32,-2.3 -30,-2.8 -2,-0.2 2,-0.4 -0.692 25.1-154.5 -81.7 131.4 52.8 7.4 14.8 176 177 A L E -j 145 0B 18 -2,-0.4 2,-0.5 -32,-0.2 -30,-0.2 -0.860 17.5-155.7-116.1 143.9 55.2 10.3 15.1 177 178 A V E -j 146 0B 8 -32,-2.4 -30,-3.0 -2,-0.4 2,-0.5 -0.962 25.2-142.1-110.1 126.7 56.2 13.3 13.0 178 179 A S E -j 147 0B 20 -2,-0.5 37,-2.9 -32,-0.2 38,-1.2 -0.797 16.4-171.5-100.3 131.6 59.7 14.5 13.7 179 180 A T E -jk 148 216B 0 -32,-2.6 -30,-2.0 -2,-0.5 2,-0.6 -0.965 18.7-137.9-121.1 130.4 60.7 18.1 13.8 180 181 A F E + k 0 217B 0 36,-3.1 38,-2.4 -2,-0.4 3,-0.2 -0.779 27.5 168.2 -87.3 119.5 64.2 19.4 14.1 181 182 A M E + 0 0 0 -2,-0.6 3,-0.3 36,-0.2 -1,-0.1 -0.280 20.8 141.7-125.8 47.9 64.3 22.4 16.5 182 183 A G E > + 0 0 0 1,-0.3 2,-1.1 2,-0.1 3,-0.5 0.779 69.1 70.4 -57.6 -24.1 68.0 22.8 17.0 183 184 A A E 3 + k 0 219B 0 35,-0.6 37,-1.9 1,-0.2 -1,-0.3 -0.370 64.1 116.1 -89.7 55.1 67.2 26.5 17.0 184 185 A H T 3 S- 0 0 6 -2,-1.1 2,-0.3 -3,-0.3 -1,-0.2 0.828 83.3 -18.1 -91.5 -38.1 65.4 26.4 20.4 185 186 A A S < S- 0 0 0 -3,-0.5 -1,-0.3 40,-0.1 40,-0.1 -0.949 73.2 -90.5-158.1 171.9 67.7 28.6 22.4 186 187 A I - 0 0 34 -2,-0.3 5,-0.1 38,-0.3 -74,-0.1 -0.846 44.1-139.1 -96.4 112.1 71.1 30.2 22.3 187 188 A P > - 0 0 0 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.286 24.3-105.7 -67.5 155.2 73.6 27.8 24.1 188 189 A P G > S+ 0 0 54 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.871 118.2 60.7 -47.8 -44.6 76.2 29.2 26.4 189 190 A E G 3 S+ 0 0 102 1,-0.3 3,-0.1 2,-0.1 -3,-0.0 0.625 114.6 35.6 -63.7 -10.2 79.0 28.6 23.9 190 191 A Y G X S+ 0 0 63 -3,-2.4 3,-2.8 1,-0.1 -1,-0.3 0.206 75.0 124.1-126.6 15.6 77.3 30.9 21.5 191 192 A Q T < S+ 0 0 119 -3,-1.6 -2,-0.1 -4,-0.3 -1,-0.1 0.842 85.9 36.7 -42.6 -45.3 75.8 33.6 23.8 192 193 A N T 3 S+ 0 0 137 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.0 0.007 121.1 46.3-102.1 28.1 77.6 36.3 21.8 193 194 A D <> + 0 0 102 -3,-2.8 4,-2.0 2,-0.0 3,-0.4 -0.202 56.0 156.4-162.9 56.8 77.2 34.8 18.3 194 195 A P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.889 76.5 57.2 -55.1 -42.9 73.7 33.6 17.8 195 196 A D H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.877 106.2 49.2 -58.3 -39.4 74.0 33.8 14.0 196 197 A D H > S+ 0 0 63 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.929 109.0 53.7 -66.5 -42.0 76.9 31.4 14.0 197 198 A F H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.927 107.6 50.4 -56.4 -46.2 74.9 29.1 16.2 198 199 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.890 107.8 52.9 -60.2 -40.1 72.1 29.1 13.7 199 200 A D H X S+ 0 0 64 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.866 106.6 53.5 -64.4 -34.1 74.5 28.3 10.9 200 201 A Q H < S+ 0 0 65 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.884 109.8 47.3 -67.1 -38.2 75.8 25.3 12.8 201 202 A M H >< S+ 0 0 6 -4,-1.8 3,-1.4 1,-0.2 4,-0.5 0.897 109.9 53.7 -69.4 -38.6 72.3 24.0 13.2 202 203 A L H >< S+ 0 0 25 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.872 98.9 63.2 -62.4 -35.7 71.7 24.6 9.5 203 204 A S T 3< S+ 0 0 69 -4,-1.9 4,-0.3 1,-0.3 -1,-0.3 0.630 96.9 59.8 -65.5 -12.0 74.8 22.5 8.7 204 205 A L T <> S+ 0 0 5 -3,-1.4 4,-2.2 -4,-0.3 -1,-0.3 0.652 82.6 83.5 -89.5 -17.4 73.1 19.5 10.2 205 206 A L H <> S+ 0 0 4 -3,-1.5 4,-3.0 -4,-0.5 5,-0.2 0.864 81.7 59.1 -56.0 -42.8 70.2 19.6 7.8 206 207 A P H > S+ 0 0 88 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.950 112.9 37.3 -55.1 -50.7 71.9 17.7 5.0 207 208 A E H > S+ 0 0 61 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.878 114.1 55.6 -70.7 -34.7 72.5 14.6 7.1 208 209 A I H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 6,-0.5 0.937 112.5 45.0 -60.3 -42.3 69.2 14.9 8.9 209 210 A K H ><5S+ 0 0 119 -4,-3.0 3,-1.2 3,-0.2 -2,-0.2 0.943 111.2 52.1 -64.7 -49.1 67.6 14.9 5.5 210 211 A E H 3<5S+ 0 0 152 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.888 116.6 39.3 -54.1 -44.4 69.7 11.9 4.3 211 212 A Q T 3<5S- 0 0 85 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.423 106.9-126.9 -87.8 0.5 68.8 9.8 7.3 212 213 A E T < 5 + 0 0 169 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.906 58.6 147.2 54.2 45.6 65.2 11.0 7.2 213 214 A L < + 0 0 9 -5,-2.4 2,-0.3 1,-0.2 -4,-0.1 0.556 64.9 14.2 -88.2 -8.7 65.4 12.1 10.9 214 215 A A - 0 0 9 -6,-0.5 -35,-0.2 -9,-0.1 -1,-0.2 -0.964 45.7-164.8-164.7 147.7 63.0 15.0 10.6 215 216 A S S S+ 0 0 75 -37,-2.9 29,-2.8 -2,-0.3 2,-0.3 0.568 78.8 42.1-108.9 -17.8 60.5 16.5 8.2 216 217 A F E -kl 179 244B 19 -38,-1.2 -36,-3.1 27,-0.2 2,-0.4 -0.876 63.2-144.4-129.2 163.0 60.2 20.0 9.6 217 218 A A E -kl 180 245B 0 27,-2.0 29,-2.2 -2,-0.3 2,-0.3 -0.985 22.5-174.3-125.7 135.6 62.4 22.7 11.1 218 219 A D E - 0 0 0 -38,-2.4 -35,-0.6 -2,-0.4 2,-0.3 -0.787 5.2-169.9-126.0 169.2 61.2 24.9 13.9 219 220 A I E -k 183 0B 0 -2,-0.3 29,-2.9 27,-0.1 2,-1.0 -0.980 27.7-122.8-160.2 148.8 62.6 27.9 15.8 220 221 A F B -m 248 0C 0 -37,-1.9 6,-1.6 -2,-0.3 2,-1.1 -0.777 28.0-170.7 -98.8 90.9 61.9 29.9 18.9 221 222 A T B +q 226 0D 1 27,-1.3 29,-0.5 -2,-1.0 30,-0.4 -0.716 37.6 120.3 -84.3 102.3 61.4 33.5 17.6 222 223 A E S > S- 0 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-3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.602 75.9 133.3 91.7 12.9 63.8 20.6 1.8 243 244 A F < - 0 0 11 -5,-2.3 -1,-0.3 -8,-0.1 -27,-0.2 -0.723 56.0-118.9-101.3 148.3 62.2 20.9 5.2 244 245 A G E -l 216 0B 28 -29,-2.8 -27,-2.0 -2,-0.3 2,-0.4 -0.375 37.8-116.8 -71.5 161.7 58.7 22.0 6.1 245 246 A L E +l 217 0B 12 20,-0.2 22,-2.4 -29,-0.2 23,-1.2 -0.896 37.8 161.5-113.4 135.7 58.5 25.1 8.3 246 247 A K E - n 0 268C 0 -29,-2.2 2,-0.3 -2,-0.4 23,-0.2 -0.922 13.2-168.3-138.4 160.5 57.1 25.6 11.8 247 248 A I E - n 0 269C 1 21,-0.6 23,-2.9 -2,-0.3 2,-1.1 -0.983 30.3-131.6-158.2 141.3 57.7 28.3 14.3 248 249 A H E -mn 220 270C 5 -29,-2.9 -27,-1.3 -2,-0.3 2,-0.4 -0.827 51.2-174.4 -89.3 98.5 57.2 29.2 18.0 249 250 A A E - n 0 271C 0 21,-1.8 23,-2.4 -2,-1.1 24,-0.3 -0.829 45.1 -16.3-112.2 142.5 55.7 32.6 17.3 250 251 A D S S+ 0 0 1 -29,-0.5 24,-3.3 -2,-0.4 23,-0.4 0.833 76.8 147.0 42.0 45.8 54.6 35.5 19.4 251 252 A E S S- 0 0 12 -30,-0.4 -1,-0.1 -3,-0.2 -2,-0.1 0.936 80.7 -3.5 -72.9 -46.8 54.5 33.4 22.5 252 253 A I S S+ 0 0 61 1,-0.3 -30,-0.1 21,-0.1 -3,-0.0 0.786 133.0 34.8-110.6 -66.7 55.5 36.1 24.9 253 254 A D S S- 0 0 56 -30,-0.1 2,-1.9 1,-0.1 -1,-0.3 -0.671 81.9-114.7 -96.3 150.0 56.2 39.4 23.0 254 255 A P + 0 0 96 0, 0.0 21,-0.1 0, 0.0 -32,-0.1 -0.511 56.6 147.3 -80.4 74.1 54.4 40.6 19.9 255 256 A L - 0 0 66 -2,-1.9 -27,-0.1 -34,-0.2 -33,-0.1 0.722 68.6-102.5 -83.4 -23.6 57.4 40.4 17.5 256 257 A G S > S+ 0 0 11 -3,-0.3 4,-1.7 -35,-0.1 5,-0.1 0.707 70.9 144.2 104.6 29.4 55.5 39.5 14.3 257 258 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.892 72.4 55.5 -65.9 -38.4 56.3 35.8 14.3 258 259 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 105.2 50.9 -59.5 -49.0 52.9 35.1 12.9 259 260 A E H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 110.8 49.3 -57.9 -40.7 53.4 37.4 9.9 260 261 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.932 107.9 53.7 -64.4 -46.0 56.7 35.7 9.1 261 262 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.3 0.921 111.2 46.3 -54.1 -46.7 55.1 32.3 9.3 262 263 A G H ><5S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.896 111.4 51.1 -64.3 -41.2 52.5 33.4 6.8 263 264 A K H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.853 113.2 45.3 -65.4 -34.4 55.0 35.0 4.5 264 265 A L T 3<5S- 0 0 29 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.383 110.1-123.2 -90.3 4.8 57.1 31.8 4.4 265 266 A K T < 5 - 0 0 151 -3,-1.0 -20,-0.2 -4,-0.3 -3,-0.2 0.885 42.0-173.6 55.6 40.9 54.1 29.6 3.9 266 267 A A < - 0 0 6 -5,-2.7 -20,-0.2 -6,-0.2 23,-0.1 -0.238 32.7-125.9 -60.8 155.7 54.9 27.7 7.1 267 268 A V S S- 0 0 35 -22,-2.4 22,-2.3 1,-0.2 2,-0.3 0.872 88.6 -0.0 -72.4 -34.6 52.8 24.6 7.7 268 269 A S E -no 246 289C 0 -23,-1.2 -21,-0.6 20,-0.2 2,-0.4 -0.993 52.1-150.7-153.8 157.9 52.0 26.0 11.2 269 270 A A E -no 247 290C 0 20,-2.5 22,-2.4 -2,-0.3 2,-0.3 -0.995 30.4-152.2-126.8 129.8 52.6 28.9 13.6 270 271 A D E +no 248 291C 0 -23,-2.9 -21,-1.8 -2,-0.4 2,-1.2 -0.873 58.2 4.2-118.1 145.3 52.4 27.8 17.3 271 272 A H E +n 249 0C 4 20,-2.5 22,-0.3 -2,-0.3 -21,-0.1 -0.743 62.1 178.0 91.7 -84.0 51.5 29.6 20.5 272 273 A L > + 0 0 1 -23,-2.4 3,-0.7 -2,-1.2 35,-0.5 0.791 22.2 145.4 57.3 35.2 50.6 33.0 19.1 273 274 A V T 3 S+ 0 0 32 -23,-0.4 -22,-0.2 -24,-0.3 34,-0.2 0.910 76.9 32.6 -69.5 -41.6 49.6 34.6 22.4 274 275 A G T 3 S+ 0 0 23 -24,-3.3 -1,-0.2 -21,-0.2 -23,-0.1 0.127 87.0 142.4-102.8 22.2 50.8 38.1 21.5 275 276 A T < - 0 0 6 -3,-0.7 32,-0.1 -25,-0.3 2,-0.1 -0.357 45.0-130.4 -65.9 139.8 50.0 37.9 17.8 276 277 A S > - 0 0 35 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.303 24.8-105.0 -83.6 170.6 48.6 41.1 16.2 277 278 A D H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 124.6 56.0 -63.1 -35.7 45.6 41.4 14.0 278 279 A E H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 107.1 49.6 -63.2 -36.7 47.9 41.7 11.0 279 280 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.914 109.9 50.5 -67.8 -42.1 49.5 38.4 12.1 280 281 A I H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.934 112.0 47.0 -60.7 -47.6 46.1 36.8 12.3 281 282 A K H X S+ 0 0 85 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.902 111.5 51.6 -61.5 -41.4 45.1 38.0 8.8 282 283 A K H X S+ 0 0 44 -4,-2.2 4,-1.9 -5,-0.2 6,-0.3 0.869 109.1 50.6 -64.6 -37.4 48.4 36.8 7.4 283 284 A L H X>S+ 0 0 0 -4,-2.2 5,-1.6 2,-0.2 4,-1.3 0.956 112.6 45.1 -64.9 -50.1 48.0 33.4 8.9 284 285 A A H <5S+ 0 0 26 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.906 112.0 53.8 -59.1 -43.5 44.5 33.0 7.4 285 286 A E H <5S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.9 40.1 -59.1 -42.8 45.7 34.3 4.1 286 287 A A H <5S- 0 0 27 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.584 105.6-121.1 -86.5 -11.9 48.5 31.8 3.8 287 288 A G T <5 + 0 0 48 -4,-1.3 2,-0.4 -3,-0.4 -3,-0.2 0.706 56.0 158.2 78.2 16.6 46.6 28.8 5.1 288 289 A T < - 0 0 1 -5,-1.6 29,-0.4 -6,-0.3 2,-0.3 -0.643 43.5-121.4 -76.0 127.7 49.2 28.4 7.9 289 290 A I E -o 268 0C 6 -22,-2.3 -20,-2.5 -2,-0.4 2,-0.9 -0.553 15.0-139.7 -76.8 130.6 47.7 26.5 10.7 290 291 A A E -op 269 318C 0 27,-2.5 29,-2.7 -2,-0.3 2,-0.8 -0.790 15.5-163.8 -91.9 103.6 47.5 28.2 14.1 291 292 A V E -op 270 319C 0 -22,-2.4 -20,-2.5 -2,-0.9 2,-0.3 -0.793 9.6-156.9 -91.5 108.1 48.4 25.7 16.8 292 293 A L E - p 0 320C 0 27,-2.8 29,-1.2 -2,-0.8 3,-0.1 -0.648 9.9-160.5 -88.5 141.2 47.3 27.1 20.1 293 294 A L >> + 0 0 5 -22,-0.3 4,-1.4 -2,-0.3 3,-0.6 -0.639 21.2 163.5-122.1 73.1 48.9 25.9 23.4 294 295 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.737 74.4 65.7 -61.5 -23.2 46.5 26.8 26.2 295 296 A G H 3> S+ 0 0 3 26,-0.5 4,-3.0 2,-0.2 5,-0.2 0.934 100.5 47.8 -65.0 -45.2 48.3 24.4 28.4 296 297 A T H <> S+ 0 0 2 -3,-0.6 4,-2.0 2,-0.2 6,-0.2 0.897 111.8 50.3 -62.6 -40.8 51.4 26.4 28.3 297 298 A T H <>S+ 0 0 7 -4,-1.4 5,-1.9 2,-0.2 4,-0.4 0.958 114.0 44.5 -61.1 -51.4 49.5 29.6 29.1 298 299 A F H ><5S+ 0 0 118 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.905 114.0 50.0 -58.6 -45.2 47.8 28.0 32.0 299 300 A Y H 3<5S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.797 102.2 59.9 -67.6 -30.6 51.0 26.4 33.3 300 301 A L T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.553 116.6-115.6 -74.0 -6.1 52.9 29.7 33.1 301 302 A G T < 5 + 0 0 65 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.2 0.702 68.3 142.6 79.6 21.6 50.3 31.0 35.6 302 303 A K < - 0 0 133 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.0 -0.477 46.1-157.6 -94.6 164.3 49.0 33.6 33.1 303 304 A S S S+ 0 0 107 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.527 70.4 86.1-115.2 -14.4 45.4 34.8 32.4 304 305 A T - 0 0 99 -7,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.818 59.4-174.3 -96.4 111.1 45.8 36.1 28.9 305 306 A Y - 0 0 28 -2,-0.8 -2,-0.0 39,-0.2 -33,-0.0 -0.537 37.9 -77.2 -96.9 166.1 45.3 33.3 26.3 306 307 A A - 0 0 9 -2,-0.2 2,-1.9 1,-0.1 3,-0.2 -0.241 50.4-106.1 -59.7 151.8 45.7 33.5 22.6 307 308 A R > + 0 0 101 -35,-0.5 4,-2.0 1,-0.2 5,-0.1 -0.481 52.7 162.1 -84.0 71.5 42.8 35.1 20.8 308 309 A A H > S+ 0 0 1 -2,-1.9 4,-2.7 1,-0.2 5,-0.2 0.876 70.6 53.0 -57.7 -44.2 41.2 32.0 19.3 309 310 A R H > S+ 0 0 79 36,-0.4 4,-3.1 -3,-0.2 -1,-0.2 0.928 108.9 49.1 -60.9 -45.5 37.8 33.6 18.5 310 311 A A H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 112.3 50.7 -59.0 -42.6 39.4 36.5 16.6 311 312 A M H <>S+ 0 0 2 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.922 112.8 43.7 -61.4 -47.0 41.4 33.9 14.7 312 313 A I H 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300 B Y H 3<5S+ 0 0 71 -4,-2.9 -1,-0.2 29,-0.3 -2,-0.2 0.792 101.1 61.4 -68.4 -30.1 36.4 25.9 -30.9 715 301 B L T 3<5S- 0 0 30 -4,-2.0 -1,-0.3 28,-0.2 -2,-0.2 0.534 117.3-115.3 -73.0 -5.0 34.4 29.1 -30.7 716 302 B G T < 5S+ 0 0 64 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.707 72.9 133.0 78.2 20.8 36.9 30.4 -33.3 717 303 B K < - 0 0 113 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.508 46.5-160.6 -98.8 169.0 38.2 33.1 -30.9 718 304 B S + 0 0 104 -2,-0.2 2,-0.8 -3,-0.1 -5,-0.1 0.341 65.3 93.8-130.3 0.5 41.8 34.0 -30.0 719 305 B T - 0 0 114 -7,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.867 60.5-172.1 -99.8 107.0 41.4 35.8 -26.7 720 306 B Y - 0 0 23 -2,-0.8 -2,-0.1 39,-0.3 40,-0.0 -0.429 33.0 -73.8 -95.0 170.2 41.9 33.2 -24.0 721 307 B A - 0 0 9 1,-0.1 2,-2.2 -2,-0.1 3,-0.3 -0.249 51.6-106.6 -59.9 150.3 41.4 33.3 -20.2 722 308 B R > + 0 0 98 -35,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.437 54.8 159.8 -81.9 69.4 44.1 35.2 -18.3 723 309 B A H > S+ 0 0 1 -2,-2.2 4,-2.8 1,-0.2 5,-0.2 0.871 70.9 51.9 -58.5 -42.2 45.9 32.2 -16.9 724 310 B R 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134.6 20.6-130.5 1.7 31.3 24.3 -28.0 744 330 B S B < +K 740 0K 3 -4,-1.3 2,-2.1 -30,-0.1 -4,-1.3 -0.210 58.4 176.2-168.0 66.8 34.1 21.8 -27.5 745 331 B P + 0 0 50 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.452 44.2 109.1 -80.1 71.5 33.6 18.4 -29.1 746 332 B T - 0 0 32 -2,-2.1 -7,-0.1 -9,-0.2 -36,-0.0 -0.988 46.1-169.9-145.8 136.3 37.0 16.8 -28.2 747 333 B E + 0 0 12 -2,-0.3 2,-1.5 -8,-0.1 -192,-0.1 0.532 60.2 112.2 -95.8 -11.3 37.9 14.0 -25.8 748 334 B N >> + 0 0 8 1,-0.2 4,-1.4 -11,-0.1 3,-0.9 -0.454 37.0 174.3 -71.7 84.9 41.6 14.7 -26.3 749 335 B I H 3> S+ 0 0 0 -2,-1.5 4,-1.6 1,-0.3 -1,-0.2 0.756 79.2 64.0 -60.7 -24.6 42.8 16.1 -23.0 750 336 B Q H 3> S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.880 99.3 50.9 -68.0 -37.5 46.3 16.1 -24.5 751 337 B L H <> S+ 0 0 40 -3,-0.9 4,-3.0 1,-0.2 5,-0.2 0.880 106.5 55.9 -66.6 -35.6 45.3 18.7 -27.1 752 338 B I H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.900 105.2 52.0 -61.5 -39.7 44.0 20.7 -24.2 753 339 B M H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.895 110.5 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