==== 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/HYDROLASE INHIBITOR 12-MAY-03 1P9U . COMPND 2 MOLECULE: PUTATIVE CORONAVIRUS NSP2 (3CL-PRO); . SOURCE 2 ORGANISM_SCIENTIFIC: TRANSMISSIBLE GASTROENTERITIS VIRUS; . AUTHOR K.ANAND,J.ZIEBUHR,P.WADHWANI,J.R.MESTERS,R.HILGENFELD . 1811 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 75114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1129 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 424 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 42 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 152 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 220 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.0 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 0 1 6 6 6 4 1 5 0 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 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 PARALLEL BRIDGES PER LADDER . 29 2 18 10 6 18 2 4 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 3 0 0 6 0 4 2 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 S 0 0 20 0, 0.0 438,-0.5 0, 0.0 436,-0.1 0.000 360.0 360.0 360.0 174.6 48.4 51.3 79.5 2 2 A G - 0 0 23 207,-0.1 2,-0.7 436,-0.1 208,-0.0 0.282 360.0-103.5 95.7 136.1 45.9 51.7 76.6 3 3 A L + 0 0 32 435,-0.1 2,-0.4 206,-0.0 435,-0.1 -0.853 45.4 160.1-103.1 115.1 43.5 49.1 75.2 4 4 A R - 0 0 39 -2,-0.7 2,-0.4 421,-0.0 433,-0.0 -0.979 43.5-113.9-130.4 140.7 44.4 47.4 71.9 5 5 A K - 0 0 28 -2,-0.4 2,-0.2 121,-0.1 121,-0.1 -0.618 46.9-171.5 -73.0 125.6 43.2 44.1 70.4 6 6 A M - 0 0 21 -2,-0.4 2,-0.3 119,-0.1 419,-0.2 -0.712 19.2-146.5-119.9 170.7 46.1 41.8 70.3 7 7 A A B -A 424 0A 2 417,-1.4 417,-2.5 -2,-0.2 119,-0.1 -0.937 24.1-113.9-132.8 152.9 47.2 38.4 69.0 8 8 A Q - 0 0 54 -2,-0.3 415,-0.2 415,-0.2 414,-0.1 -0.545 55.7 -76.3 -82.0 154.0 49.5 35.7 70.4 9 9 A P - 0 0 10 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 -0.144 34.7-151.8 -51.8 144.4 52.7 35.1 68.3 10 10 A S >> + 0 0 0 1,-0.2 4,-2.5 2,-0.1 3,-1.7 0.403 63.0 109.9-100.3 -0.4 52.2 33.0 65.1 11 11 A G T 34 S+ 0 0 19 1,-0.3 -1,-0.2 2,-0.2 300,-0.0 0.787 79.3 49.9 -46.2 -38.0 55.7 31.4 64.9 12 12 A L T 34 S+ 0 0 88 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.742 116.9 41.3 -75.7 -22.1 54.4 27.9 65.7 13 13 A V T X4 S+ 0 0 0 -3,-1.7 3,-2.2 2,-0.1 4,-0.4 0.828 95.8 74.6 -93.9 -37.3 51.6 28.2 63.1 14 14 A E G >< S+ 0 0 31 -4,-2.5 3,-1.5 1,-0.3 -2,-0.1 0.843 92.0 55.5 -45.4 -46.8 53.4 29.8 60.2 15 15 A P G 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 81,-0.2 0.655 102.9 59.2 -65.1 -14.1 55.4 26.7 59.1 16 16 A C G < S+ 0 0 0 -3,-2.2 15,-3.6 80,-0.1 2,-0.4 0.473 80.8 103.1 -93.8 -4.0 52.1 24.7 58.9 17 17 A I E < +J 30 0B 2 -3,-1.5 2,-0.3 -4,-0.4 13,-0.2 -0.671 46.7 175.4 -86.0 133.0 50.5 26.8 56.2 18 18 A V E -J 29 0B 0 11,-2.3 11,-2.6 -2,-0.4 2,-0.4 -0.921 32.9-112.1-133.6 158.3 50.4 25.6 52.7 19 19 A R E -JK 28 68B 72 49,-3.1 49,-2.3 -2,-0.3 2,-0.4 -0.767 32.4-171.8 -89.5 131.3 48.9 26.7 49.4 20 20 A V E +JK 27 67B 0 7,-2.5 7,-2.8 -2,-0.4 2,-0.3 -0.982 7.5 173.3-128.8 119.0 46.1 24.4 48.1 21 21 A S E +JK 26 66B 18 45,-1.6 45,-1.4 -2,-0.4 2,-0.3 -0.930 10.1 170.3-126.9 153.3 44.6 24.8 44.7 22 22 A Y E > -J 25 0B 24 3,-2.4 3,-2.6 -2,-0.3 43,-0.1 -0.911 66.7 -33.7-158.0 128.0 42.1 22.8 42.6 23 23 A G T 3 S- 0 0 68 41,-0.4 22,-0.1 -2,-0.3 20,-0.1 -0.366 128.4 -22.8 57.2-124.6 40.5 23.9 39.3 24 24 A N T 3 S+ 0 0 160 20,-0.3 2,-0.5 -2,-0.1 -1,-0.3 0.391 117.5 102.4 -97.0 2.3 40.1 27.7 39.6 25 25 A N E < +J 22 0B 32 -3,-2.6 -3,-2.4 17,-0.3 2,-0.4 -0.761 43.3 176.9 -95.9 130.0 40.1 27.6 43.4 26 26 A V E +J 21 0B 40 -2,-0.5 -5,-0.2 -5,-0.2 118,-0.2 -0.989 19.4 137.1-129.7 120.3 43.2 28.7 45.4 27 27 A L E -J 20 0B 4 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.3 -0.740 47.6 -79.1-144.2-166.3 43.1 28.8 49.2 28 28 A N E -J 19 0B 1 116,-2.7 2,-0.3 -2,-0.2 -9,-0.2 -0.774 34.3-168.6-107.4 151.1 45.1 27.9 52.3 29 29 A G E -J 18 0B 1 -11,-2.6 -11,-2.3 -2,-0.3 2,-0.6 -0.915 22.6-122.5-134.5 160.1 45.5 24.6 54.1 30 30 A L E -JL 17 37B 0 7,-3.1 7,-2.6 -2,-0.3 2,-0.7 -0.925 22.5-157.1-106.8 118.0 46.9 23.4 57.4 31 31 A W E + L 0 36B 12 -15,-3.6 2,-0.4 -2,-0.6 5,-0.2 -0.845 23.0 161.0-101.3 107.3 49.7 20.9 57.1 32 32 A L E > - L 0 35B 13 3,-2.3 3,-1.8 -2,-0.7 2,-0.3 -0.988 63.4 -35.2-128.6 122.8 50.2 18.7 60.2 33 33 A G T 3 S- 0 0 21 -2,-0.4 61,-2.7 61,-0.3 63,-0.1 -0.512 124.7 -27.5 66.8-129.4 52.0 15.4 60.1 34 34 A D T 3 S+ 0 0 58 -2,-0.3 56,-3.1 59,-0.3 2,-0.3 0.070 123.0 87.8-106.4 23.7 51.3 13.8 56.8 35 35 A E E < -LM 32 89B 48 -3,-1.8 -3,-2.3 54,-0.2 2,-0.5 -0.927 56.2-157.7-127.2 150.0 47.9 15.5 56.3 36 36 A V E -LM 31 88B 0 52,-2.8 52,-3.2 -2,-0.3 2,-0.4 -0.990 12.6-164.3-125.3 121.0 46.7 18.7 54.9 37 37 A I E +LM 30 87B 20 -7,-2.6 -7,-3.1 -2,-0.5 50,-0.2 -0.885 22.5 143.5-107.8 137.2 43.3 20.1 56.1 38 38 A C E - M 0 86B 0 48,-2.0 48,-3.4 -2,-0.4 -9,-0.1 -0.967 57.3 -61.7-160.0 169.0 41.4 22.8 54.2 39 39 A P E > - M 0 85B 0 0, 0.0 3,-1.4 0, 0.0 46,-0.2 -0.382 40.8-141.1 -60.1 133.4 37.9 23.9 53.2 40 40 A R G > S+ 0 0 42 44,-1.8 3,-2.7 1,-0.3 4,-0.2 0.737 93.9 80.3 -69.3 -20.8 36.3 21.2 51.1 41 41 A H G > S+ 0 0 29 43,-0.3 3,-1.0 1,-0.3 -1,-0.3 0.575 71.7 81.3 -64.0 -2.9 34.7 23.9 48.9 42 42 A V G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 -17,-0.3 0.636 87.1 59.1 -72.8 -11.3 38.1 24.1 47.3 43 43 A I G < S+ 0 0 2 -3,-2.7 -1,-0.2 -4,-0.1 -2,-0.2 0.604 79.0 116.3 -91.4 -14.6 36.8 21.1 45.4 44 44 A A < - 0 0 4 -3,-1.0 3,-0.3 -4,-0.2 -20,-0.3 -0.335 51.7-158.7 -63.3 129.4 33.8 22.9 43.9 45 45 A S S S+ 0 0 93 1,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.670 88.2 22.7 -80.8 -16.9 33.8 23.2 40.1 46 46 A D > + 0 0 69 3,-0.1 3,-1.4 1,-0.1 -1,-0.3 -0.655 60.4 179.7-154.6 91.9 31.3 26.1 40.2 47 47 A T T 3 S+ 0 0 60 -3,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.413 78.0 70.6 -74.6 0.6 31.1 28.2 43.4 48 48 A T T 3 S+ 0 0 113 2,-0.1 2,-0.3 139,-0.0 -1,-0.3 0.505 102.2 50.1 -92.4 -5.4 28.4 30.6 42.0 49 49 A R S < S- 0 0 176 -3,-1.4 -3,-0.1 1,-0.1 140,-0.1 -0.886 106.0 -70.6-130.4 160.4 25.9 27.7 42.1 50 50 A V - 0 0 132 -2,-0.3 2,-0.5 137,-0.1 -1,-0.1 -0.142 54.3-130.4 -47.1 140.2 24.7 25.2 44.7 51 51 A I - 0 0 10 -4,-0.1 2,-1.1 135,-0.1 3,-0.1 -0.869 12.6-157.0-106.6 126.4 27.4 22.6 45.3 52 52 A N > - 0 0 87 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 -0.822 13.1-174.3 -98.2 96.1 26.8 18.8 45.2 53 53 A Y H > S+ 0 0 14 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.797 78.5 58.5 -64.9 -28.7 29.7 17.6 47.3 54 54 A E H > S+ 0 0 147 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.956 110.7 42.9 -65.5 -46.8 29.0 13.9 46.7 55 55 A N H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.920 111.7 53.9 -63.7 -44.8 29.4 14.4 43.0 56 56 A E H < S+ 0 0 30 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.889 111.1 46.3 -58.6 -38.5 32.5 16.7 43.4 57 57 A M H >< S+ 0 0 38 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.848 109.1 55.2 -73.1 -33.7 34.2 14.0 45.4 58 58 A S H 3< S+ 0 0 93 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.903 112.4 42.1 -64.7 -41.1 33.3 11.2 43.0 59 59 A S T 3< S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.423 87.8 126.8 -88.0 3.4 34.8 13.0 40.0 60 60 A V < - 0 0 32 -3,-0.6 2,-0.4 -4,-0.3 3,-0.1 -0.278 41.5-164.1 -62.6 143.4 37.9 14.1 42.0 61 61 A R > - 0 0 158 1,-0.1 3,-2.7 0, 0.0 4,-0.4 -0.972 16.3-143.1-131.8 114.4 41.3 13.3 40.5 62 62 A L G > S+ 0 0 65 -2,-0.4 3,-2.1 1,-0.3 14,-0.2 0.822 97.3 63.3 -45.3 -42.7 44.2 13.6 42.9 63 63 A H G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.651 90.7 68.5 -62.3 -13.9 46.6 14.9 40.3 64 64 A N G < S+ 0 0 71 -3,-2.7 -41,-0.4 -42,-0.0 -1,-0.3 0.697 84.7 90.2 -77.9 -17.1 44.4 18.0 39.9 65 65 A F < - 0 0 16 -3,-2.1 2,-0.3 -4,-0.4 -43,-0.2 -0.377 59.1-163.2 -76.2 157.8 45.4 19.1 43.4 66 66 A S E +K 21 0B 30 -45,-1.4 -45,-1.6 -2,-0.1 2,-0.5 -0.807 11.8 175.6-144.7 96.5 48.4 21.3 44.0 67 67 A V E +KN 20 74B 1 7,-0.7 7,-2.8 -2,-0.3 2,-0.3 -0.905 15.9 153.1-106.0 127.8 49.7 21.4 47.5 68 68 A S E -KN 19 73B 7 -49,-2.3 -49,-3.1 -2,-0.5 2,-0.4 -0.991 33.9-156.6-153.2 160.4 52.8 23.4 48.2 69 69 A K E > S- N 0 72B 32 3,-2.5 3,-1.4 -2,-0.3 -51,-0.1 -0.957 88.7 -11.5-139.3 119.2 54.8 25.4 50.7 70 70 A N T 3 S- 0 0 111 -2,-0.4 -1,-0.1 49,-0.3 3,-0.1 0.969 129.0 -57.4 54.2 53.7 57.4 28.0 49.6 71 71 A N T 3 S+ 0 0 133 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.566 111.6 123.9 53.1 14.5 57.0 26.6 46.1 72 72 A V E < -N 69 0B 83 -3,-1.4 -3,-2.5 2,-0.0 2,-0.2 -0.926 56.4-138.1-103.5 120.1 58.0 23.1 47.2 73 73 A F E -N 68 0B 124 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.3 -0.489 11.5-153.5 -87.2 149.2 55.2 20.7 46.3 74 74 A L E -N 67 0B 8 -7,-2.8 -7,-0.7 -2,-0.2 2,-0.3 -0.967 23.1-124.1-117.0 131.5 53.7 17.8 48.3 75 75 A G - 0 0 30 -2,-0.4 16,-2.6 -9,-0.1 2,-0.5 -0.603 20.9-133.0 -77.8 133.2 52.2 14.9 46.4 76 76 A V E +O 90 0B 23 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.759 24.4 179.0 -86.7 126.7 48.5 14.2 47.4 77 77 A V E - 0 0 78 12,-3.6 2,-0.3 -2,-0.5 13,-0.2 0.681 63.7 -6.6-100.4 -21.8 48.0 10.5 48.1 78 78 A S E -O 89 0B 48 11,-1.2 11,-2.1 -16,-0.1 2,-0.4 -0.984 53.9-146.7-167.4 161.1 44.3 10.6 49.0 79 79 A A E +O 88 0B 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 21.1 162.3-140.7 131.2 41.3 12.9 49.7 80 80 A R E -O 87 0B 117 7,-1.9 7,-2.8 -2,-0.4 2,-0.3 -0.959 33.3-114.9-143.5 159.4 38.4 12.5 52.1 81 81 A Y E -O 86 0B 59 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.660 19.7-176.4 -93.7 151.4 35.7 14.6 53.7 82 82 A K E > S-O 85 0B 69 3,-2.3 3,-1.8 1,-0.3 2,-0.3 -0.722 70.1 -59.7-144.9 86.6 35.5 15.2 57.4 83 83 A G T 3 S- 0 0 46 1,-0.3 -1,-0.3 -2,-0.2 96,-0.2 -0.562 119.3 -19.7 69.8-132.3 32.4 17.3 57.9 84 84 A V T 3 S+ 0 0 17 94,-2.3 -44,-1.8 -2,-0.3 -43,-0.3 0.270 122.7 94.5 -90.9 11.4 33.0 20.5 55.9 85 85 A N E < -MO 39 82B 1 -3,-1.8 -3,-2.3 -46,-0.2 2,-0.5 -0.781 67.0-139.7-105.7 150.3 36.7 20.0 55.8 86 86 A L E -MO 38 81B 1 -48,-3.4 -48,-2.0 -2,-0.3 2,-0.6 -0.904 15.5-159.6-104.4 130.8 38.8 18.3 53.2 87 87 A V E -MO 37 80B 5 -7,-2.8 -7,-1.9 -2,-0.5 2,-0.5 -0.965 6.8-168.4-114.8 119.1 41.6 16.1 54.5 88 88 A L E -MO 36 79B 0 -52,-3.2 -52,-2.8 -2,-0.6 2,-0.5 -0.896 13.8-145.5-108.2 133.8 44.4 15.3 52.1 89 89 A K E -MO 35 78B 59 -11,-2.1 -12,-3.6 -2,-0.5 -11,-1.2 -0.861 25.4-160.6 -93.5 129.3 47.0 12.7 52.9 90 90 A V E - 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0 0 28 -3,-2.4 2,-0.1 2,-0.0 42,-0.1 -0.691 54.6-171.2 -83.1 116.7 29.6 56.6 84.8 220 220 A T - 0 0 38 -2,-0.7 1558,-0.1 40,-0.3 44,-0.1 -0.243 36.2-113.5 -94.4-174.1 26.3 57.5 86.5 221 221 A N S S+ 0 0 110 1556,-0.2 2,-0.2 -2,-0.1 -2,-0.0 -0.116 90.8 85.3-110.8 31.6 25.4 57.8 90.2 222 222 A T - 0 0 70 38,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.761 59.7-154.3-126.3 171.4 23.1 54.8 89.9 223 223 A S - 0 0 54 -2,-0.2 2,-0.5 40,-0.1 37,-0.2 -0.994 4.6-152.3-150.1 146.3 23.5 51.0 90.1 224 224 A M - 0 0 40 35,-1.8 38,-0.2 -2,-0.3 39,-0.1 -0.971 26.5-121.3-125.8 118.2 21.6 48.0 88.7 225 225 A S > - 0 0 49 -2,-0.5 4,-3.2 1,-0.1 5,-0.2 -0.133 21.9-116.7 -57.1 149.4 21.6 44.7 90.5 226 226 A L H > S+ 0 0 43 1,-0.2 4,-3.2 2,-0.2 15,-0.2 0.895 116.3 52.3 -52.1 -45.1 22.9 41.7 88.7 227 227 A E H > S+ 0 0 150 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.937 111.4 44.8 -60.5 -48.3 19.4 40.1 89.0 228 228 A S H >> S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.944 115.2 48.7 -60.4 -48.7 17.7 43.1 87.4 229 229 A Y H 3X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.3 -2,-0.2 0.946 107.8 53.5 -55.9 -52.1 20.4 43.3 84.7 230 230 A N H 3X S+ 0 0 13 -4,-3.2 4,-1.1 1,-0.2 -1,-0.3 0.763 108.9 51.9 -55.9 -25.2 20.1 39.6 83.9 231 231 A T H << S+ 0 0 87 -4,-1.2 4,-0.4 -3,-0.6 -1,-0.2 0.940 111.5 44.6 -74.9 -50.1 16.4 40.2 83.5 232 232 A W H >X S+ 0 0 47 -4,-2.2 3,-1.3 1,-0.2 4,-0.5 0.870 108.0 58.7 -60.3 -43.6 16.8 43.1 81.0 233 233 A A H ><>S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 5,-1.2 0.911 93.2 64.7 -55.2 -49.7 19.6 41.4 79.0 234 234 A K T 3<5S+ 0 0 127 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.691 112.4 36.8 -50.3 -20.7 17.5 38.3 78.0 235 235 A T T <45S+ 0 0 106 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.436 115.3 53.0-113.0 -2.2 15.2 40.7 76.1 236 236 A N T <<5S- 0 0 50 -3,-2.0 -2,-0.2 -4,-0.5 -3,-0.1 0.060 115.5 -96.9-122.6 26.4 17.8 43.1 74.7 237 237 A S T 5S+ 0 0 49 -4,-0.4 -39,-2.2 1,-0.2 2,-0.3 0.961 82.8 122.2 59.0 57.8 20.3 40.8 73.0 238 238 A F B < -x 198 0D 7 -5,-1.2 -1,-0.2 -41,-0.2 -39,-0.2 -0.984 59.9-115.0-144.8 144.2 22.8 40.5 75.8 239 239 A T - 0 0 48 -41,-2.5 2,-0.4 -2,-0.3 -6,-0.1 -0.187 39.8 -91.1 -73.7 172.9 24.1 37.4 77.6 240 240 A E - 0 0 111 -7,-0.1 2,-1.1 -6,-0.1 -39,-0.2 -0.738 29.7-131.4 -90.3 130.6 23.5 36.7 81.3 241 241 A L - 0 0 2 -2,-0.4 -11,-0.1 -15,-0.2 3,-0.1 -0.704 21.7-168.8 -83.3 100.4 26.2 38.0 83.7 242 242 A S - 0 0 105 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.913 61.4 -19.9 -56.0 -50.8 26.7 34.9 85.9 243 243 A S - 0 0 33 -3,-0.1 3,-0.3 1,-0.0 -1,-0.2 -0.977 46.6-127.6-156.1 166.9 28.8 36.6 88.6 244 244 A T S > S+ 0 0 50 -2,-0.3 3,-1.6 1,-0.2 4,-0.3 0.395 82.1 101.1 -98.0 -0.2 30.9 39.6 89.3 245 245 A D G > S+ 0 0 114 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.818 72.6 62.5 -54.4 -36.2 33.9 37.6 90.6 246 246 A A G 3 S+ 0 0 53 -3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.711 104.8 47.0 -65.4 -20.8 35.8 38.0 87.3 247 247 A F G <> S+ 0 0 1 -3,-1.6 4,-3.1 1,-0.1 -1,-0.2 0.315 73.8 111.7-106.4 9.6 36.0 41.8 87.7 248 248 A S H <> S+ 0 0 72 -3,-1.2 4,-2.5 -4,-0.3 5,-0.2 0.893 81.7 46.1 -47.7 -51.6 37.1 42.0 91.4 249 249 A M H > S+ 0 0 128 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.931 114.7 47.0 -59.9 -47.5 40.5 43.4 90.5 250 250 A L H > S+ 0 0 3 1,-0.2 4,-2.0 -4,-0.2 6,-0.3 0.877 111.6 52.9 -62.8 -37.3 39.1 45.9 88.0 251 251 A A H X S+ 0 0 24 -4,-3.1 4,-2.7 2,-0.2 5,-0.4 0.929 111.1 44.9 -64.6 -45.5 36.5 46.9 90.6 252 252 A A H < S+ 0 0 86 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.905 114.2 49.5 -65.2 -42.4 39.1 47.6 93.3 253 253 A K H < S+ 0 0 96 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.839 123.4 29.0 -66.9 -36.9 41.4 49.5 90.9 254 254 A T H < S- 0 0 21 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.745 97.9-129.0 -96.0 -30.2 38.7 51.8 89.5 255 255 A G S < S+ 0 0 54 -4,-2.7 2,-0.5 -5,-0.3 -3,-0.2 0.543 71.5 115.1 91.6 6.5 36.4 51.9 92.5 256 256 A Q - 0 0 30 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.955 58.8-140.5-114.0 120.9 33.3 51.1 90.5 257 257 A S >> - 0 0 48 -2,-0.5 4,-1.3 -3,-0.1 3,-1.1 -0.364 28.3-105.4 -74.2 158.3 31.5 47.8 91.2 258 258 A V H >> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 3,-1.1 0.934 116.8 60.0 -47.2 -58.4 30.2 45.7 88.4 259 259 A E H 3> S+ 0 0 71 1,-0.3 -35,-1.8 2,-0.2 4,-1.5 0.769 100.3 55.8 -44.6 -34.7 26.5 46.6 89.0 260 260 A K H <> S+ 0 0 73 -3,-1.1 4,-1.5 -37,-0.2 -1,-0.3 0.939 109.9 46.0 -66.0 -43.1 27.3 50.3 88.5 261 261 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.7 0.949 107.7 49.2 -50.2 -56.7 25.3 49.3 79.7 266 266 A V H 3< S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 116.8 43.1 -53.4 -38.4 21.5 49.5 79.9 267 267 A R H 3< S+ 0 0 91 -4,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.684 114.5 48.1 -84.5 -16.8 21.7 53.2 79.5 268 268 A L H X< S+ 0 0 8 -4,-2.1 3,-2.6 -3,-0.7 -2,-0.2 0.691 89.0 86.0 -91.7 -21.5 24.3 53.3 76.7 269 269 A N T 3< S+ 0 0 64 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 0.625 86.0 55.2 -53.4 -17.0 22.4 50.6 74.8 270 270 A K T 3 S- 0 0 136 1,-0.4 -1,-0.3 -3,-0.3 2,-0.2 0.367 127.1 -57.7-101.2 5.8 20.3 53.3 73.1 271 271 A G < - 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0 0 52 -2,-0.5 44,-0.1 2,-0.4 -2,-0.1 -0.328 54.7 -82.7-119.9-158.2 39.0 148.1 40.9 1123 221 D N S S+ 0 0 160 -2,-0.1 2,-0.2 2,-0.0 -2,-0.0 0.610 100.1 91.7 -85.5 -15.0 38.5 150.2 37.7 1124 222 D T + 0 0 72 38,-0.1 -2,-0.4 41,-0.0 2,-0.3 -0.543 50.4 176.8 -88.4 148.5 40.9 152.8 39.1 1125 223 D S - 0 0 55 -2,-0.2 2,-0.4 40,-0.1 37,-0.2 -0.879 15.9-146.0-138.9 167.8 44.6 153.1 38.6 1126 224 D M - 0 0 44 35,-1.7 38,-0.2 -2,-0.3 39,-0.2 -0.991 21.8-117.4-143.7 131.6 47.3 155.5 39.5 1127 225 D S > - 0 0 44 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.203 25.9-114.3 -65.9 157.6 50.4 156.5 37.6 1128 226 D L H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 15,-0.2 0.937 117.4 46.4 -56.6 -51.3 53.9 155.9 38.9 1129 227 D E H > S+ 0 0 153 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.838 114.0 49.1 -63.4 -32.9 54.7 159.6 39.3 1130 228 D S H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 110.5 50.6 -70.9 -44.4 51.3 160.2 40.9 1131 229 D Y H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.901 109.3 51.5 -59.6 -43.0 51.9 157.4 43.4 1132 230 D N H X S+ 0 0 27 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.923 107.2 50.6 -62.8 -44.9 55.3 158.6 44.3 1133 231 D T H < S+ 0 0 99 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.911 113.4 48.3 -58.8 -40.5 54.1 162.2 45.1 1134 232 D W H >< S+ 0 0 41 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.868 106.1 57.7 -66.0 -38.7 51.4 160.6 47.3 1135 233 D A H >X>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-1.6 0.839 95.2 62.8 -63.0 -36.9 53.9 158.3 49.0 1136 234 D K T 3<5S+ 0 0 150 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.721 111.1 40.0 -62.2 -20.7 56.1 161.1 50.3 1137 235 D T T <45S+ 0 0 121 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.232 115.6 51.0-111.8 10.8 53.1 162.4 52.3 1138 236 D N T <45S- 0 0 51 -3,-1.6 -2,-0.2 2,-0.2 -3,-0.1 0.224 112.5-101.4-133.1 14.4 51.9 159.0 53.5 1139 237 D S T <5S+ 0 0 56 -4,-0.5 -39,-2.4 1,-0.2 2,-0.4 0.905 82.1 121.0 66.1 43.2 54.9 157.2 54.9 1140 238 D F B < -o 1100 0N 9 -5,-1.9 -2,-0.2 -41,-0.3 -1,-0.2 -0.982 61.5-116.8-133.5 144.2 55.7 155.0 51.9 1141 239 D T - 0 0 52 -41,-2.2 2,-0.2 -2,-0.4 -6,-0.1 -0.205 39.9 -89.0 -74.1 170.3 58.9 155.0 49.9 1142 240 D E - 0 0 120 1,-0.1 2,-0.4 -7,-0.1 -39,-0.3 -0.525 48.2-105.4 -75.3 148.7 59.0 155.9 46.2 1143 241 D L - 0 0 5 -15,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.657 23.9-143.1 -76.5 130.1 58.4 152.9 43.9 1144 242 D S - 0 0 80 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.958 67.6 -44.2 -57.6 -51.1 61.8 152.0 42.5 1145 243 D S - 0 0 35 -3,-0.1 3,-0.4 1,-0.1 -1,-0.3 -0.935 37.7-122.3-176.9 154.1 60.3 151.1 39.1 1146 244 D T S > S+ 0 0 36 -2,-0.3 3,-1.2 1,-0.2 4,-0.2 0.622 102.0 76.3 -82.1 -12.2 57.3 149.3 37.6 1147 245 D D G > S+ 0 0 122 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.852 81.0 68.5 -65.6 -34.2 59.7 147.0 35.6 1148 246 D A G 3 S+ 0 0 47 -3,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.695 105.7 41.8 -59.2 -18.6 60.5 145.0 38.7 1149 247 D F G <> S+ 0 0 0 -3,-1.2 4,-3.0 -4,-0.1 -1,-0.3 0.343 79.3 109.1-112.0 6.2 56.9 143.7 38.6 1150 248 D S H <> S+ 0 0 76 -3,-1.8 4,-3.3 1,-0.2 5,-0.2 0.895 80.9 47.9 -49.5 -50.3 56.5 143.1 34.9 1151 249 D M H > S+ 0 0 72 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.910 114.9 46.5 -59.3 -42.4 56.5 139.3 35.2 1152 250 D L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.885 113.3 48.9 -67.4 -38.0 54.0 139.5 38.0 1153 251 D A H X>S+ 0 0 20 -4,-3.0 4,-1.9 1,-0.2 5,-0.6 0.916 112.8 48.7 -67.0 -41.4 51.9 142.0 36.0 1154 252 D A H <5S+ 0 0 80 -4,-3.3 -2,-0.2 -5,-0.3 -1,-0.2 0.863 112.4 48.1 -65.7 -38.4 52.1 139.6 33.0 1155 253 D K H <5S+ 0 0 123 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.921 122.2 32.1 -68.6 -46.1 51.1 136.6 35.0 1156 254 D T H <5S- 0 0 30 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.607 98.6-129.5 -89.1 -15.3 48.1 138.1 36.7 1157 255 D G T <5 + 0 0 61 -4,-1.9 2,-0.5 -5,-0.2 -3,-0.2 0.713 69.4 121.4 72.6 18.3 47.1 140.4 33.9 1158 256 D Q < - 0 0 27 -5,-0.6 -1,-0.2 -6,-0.3 -2,-0.2 -0.972 59.5-128.7-118.8 126.8 47.0 143.4 36.3 1159 257 D S > - 0 0 44 -2,-0.5 4,-1.2 1,-0.1 3,-0.2 -0.235 17.5-121.9 -69.3 159.3 49.1 146.5 35.8 1160 258 D V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.914 113.6 62.6 -65.3 -42.0 51.3 148.0 38.5 1161 259 D E H > S+ 0 0 64 1,-0.2 -35,-1.7 2,-0.2 4,-1.5 0.853 99.3 54.8 -50.9 -39.4 49.3 151.2 38.2 1162 260 D K H > S+ 0 0 46 -37,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.920 110.9 43.8 -62.0 -44.8 46.2 149.3 39.3 1163 261 D L H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.4 -2,-0.2 0.783 104.5 62.5 -73.1 -28.1 47.8 148.1 42.5 1164 262 D L H X S+ 0 0 0 -4,-2.3 4,-1.8 -38,-0.2 -1,-0.2 0.923 108.7 43.9 -62.2 -39.7 49.4 151.5 43.3 1165 263 D D H X S+ 0 0 19 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.863 108.5 58.0 -70.6 -37.1 45.8 152.8 43.5 1166 264 D S H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.3 0.912 104.8 52.4 -58.3 -42.7 44.8 149.7 45.5 1167 265 D I H X S+ 0 0 0 -4,-2.5 4,-3.6 1,-0.2 5,-0.3 0.975 107.6 49.9 -55.5 -59.5 47.5 150.7 48.1 1168 266 D V H < S+ 0 0 27 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.839 117.0 41.6 -49.8 -40.1 46.1 154.2 48.4 1169 267 D R H >X S+ 0 0 70 -4,-2.1 4,-1.3 2,-0.2 3,-0.8 0.901 117.2 46.2 -76.5 -41.9 42.6 152.8 49.0 1170 268 D L H 3< S+ 0 0 8 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.805 102.1 66.5 -69.0 -29.4 43.7 150.0 51.2 1171 269 D N T 3< S+ 0 0 68 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.768 102.8 48.4 -61.7 -25.1 45.9 152.4 53.1 1172 270 D K T <4 S- 0 0 177 -3,-0.8 2,-0.2 -4,-0.4 -1,-0.2 0.873 132.5 -46.2 -80.9 -41.9 42.6 154.0 54.2 1173 271 D G < - 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