==== 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 21-DEC-04 1YBQ . COMPND 2 MOLECULE: ISOASPARTYL DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.MARTI-ARBONA,V.FRESQUET,J.B.THODEN,M.L.DAVIS,H.M.HOLDEN,F. . 778 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 11.8 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 63 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 3 3 2 2 0 2 0 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 11 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 PARALLEL BRIDGES PER LADDER . 5 4 2 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 250 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.1 5.1 34.5 50.8 2 2 A I - 0 0 52 427,-0.0 2,-0.6 425,-0.0 427,-0.1 -0.828 360.0-132.9 -99.4 136.4 6.5 31.3 49.3 3 3 A D + 0 0 94 -2,-0.4 425,-0.2 425,-0.1 3,-0.1 -0.848 35.2 160.7 -93.9 116.6 10.2 31.4 48.2 4 4 A Y > + 0 0 13 -2,-0.6 3,-1.0 1,-0.1 5,-0.3 -0.015 42.8 113.4-120.1 24.4 10.9 30.0 44.7 5 5 A T G > + 0 0 79 1,-0.2 3,-2.1 2,-0.2 -1,-0.1 0.780 56.8 75.6 -67.7 -32.3 14.3 31.7 44.5 6 6 A A G 3 S+ 0 0 36 420,-0.5 -1,-0.2 1,-0.3 26,-0.1 0.788 89.2 64.6 -50.2 -26.1 16.3 28.5 44.6 7 7 A A G < S- 0 0 1 -3,-1.0 25,-3.0 419,-0.3 26,-0.3 0.770 94.6-142.7 -70.1 -27.2 15.1 28.1 40.9 8 8 A G < - 0 0 41 -3,-2.1 2,-0.3 -4,-0.2 25,-0.3 0.979 23.0-159.8 62.0 51.2 17.0 31.1 39.7 9 9 A F + 0 0 1 40,-0.4 42,-2.8 -5,-0.3 2,-0.4 -0.543 15.4 176.5 -72.1 130.8 14.1 32.0 37.4 10 10 A T E -Ab 30 51A 21 20,-2.4 20,-2.7 -2,-0.3 2,-0.7 -0.982 17.1-164.2-140.7 122.8 15.2 34.3 34.6 11 11 A L E -Ab 29 52A 1 40,-3.3 42,-2.8 -2,-0.4 2,-0.9 -0.909 6.4-159.3-109.6 118.5 13.3 35.6 31.7 12 12 A L E -Ab 28 53A 1 16,-3.4 16,-1.7 -2,-0.7 2,-0.4 -0.826 22.4-149.9-103.5 104.1 15.3 37.1 28.9 13 13 A Q E - b 0 54A 53 40,-3.1 42,-4.1 -2,-0.9 43,-0.2 -0.612 45.2 -27.1 -93.0 131.7 13.0 39.3 27.0 14 14 A G E S+ 0 0 18 -2,-0.4 43,-0.6 1,-0.2 44,-0.3 0.636 72.3 147.2 50.5 40.2 12.7 40.4 23.5 15 15 A A E -A 26 0A 0 11,-0.9 11,-2.0 -3,-0.3 2,-0.8 -0.489 59.8-103.4 -88.5 164.0 16.2 40.2 22.1 16 16 A H E -Ac 25 59A 50 42,-3.6 44,-2.6 39,-0.3 2,-0.5 -0.808 49.7-142.3 -88.4 119.9 16.7 39.3 18.5 17 17 A L E -Ac 24 60A 0 7,-2.6 6,-3.1 -2,-0.8 7,-0.6 -0.770 27.8-174.9 -99.2 128.3 17.8 35.7 18.9 18 18 A Y E -A 22 0A 30 42,-3.3 3,-0.2 -2,-0.5 4,-0.2 -0.979 1.7-176.4-116.1 108.6 20.5 33.7 16.9 19 19 A A S S- 0 0 0 2,-2.7 329,-3.1 -2,-0.5 3,-0.1 0.374 84.9 -81.5 -82.1 -6.7 20.3 30.1 18.2 20 20 A P S S+ 0 0 0 0, 0.0 309,-0.1 0, 0.0 310,-0.1 -0.994 134.2 78.4 -64.8 -15.0 22.7 30.3 16.1 21 21 A E S S- 0 0 41 -3,-0.2 -2,-2.7 1,-0.1 2,-0.6 -0.423 102.1 -99.0 -63.6 137.4 19.7 30.0 13.7 22 22 A D E +A 18 0A 92 -4,-0.2 -4,-0.2 1,-0.2 -1,-0.1 -0.452 48.2 168.7 -63.1 107.5 17.8 33.3 13.2 23 23 A R E - 0 0 113 -6,-3.1 -1,-0.2 -2,-0.6 -5,-0.2 0.302 35.1-142.3 -98.2 1.5 14.8 32.9 15.5 24 24 A G E -A 17 0A 23 -7,-0.6 -7,-2.6 -8,-0.1 -1,-0.3 -0.256 63.7 -5.7 63.3-158.7 13.9 36.6 15.1 25 25 A I E S+A 16 0A 90 -9,-0.3 2,-0.3 -3,-0.1 -9,-0.2 -0.518 88.4 153.6 -70.6 123.8 12.6 38.3 18.3 26 26 A C E -A 15 0A 10 -11,-2.0 -11,-0.9 -2,-0.3 14,-0.2 -0.998 37.8-124.7-154.5 153.7 12.2 35.7 20.9 27 27 A D E - D 0 39A 7 12,-2.3 12,-1.3 -2,-0.3 2,-0.4 -0.590 15.4-152.8 -99.7 160.3 12.2 35.1 24.6 28 28 A V E -AD 12 38A 0 -16,-1.7 -16,-3.4 -2,-0.2 2,-0.5 -0.959 1.9-159.7-140.2 120.9 14.2 32.8 26.7 29 29 A L E -AD 11 37A 0 8,-2.8 7,-3.4 -2,-0.4 8,-1.5 -0.855 14.2-169.8-100.6 128.7 13.2 31.2 30.0 30 30 A V E +AD 10 35A 4 -20,-2.7 -20,-2.4 -2,-0.5 2,-0.3 -0.957 11.9 168.5-123.8 141.6 15.9 29.9 32.3 31 31 A A E > - D 0 34A 0 3,-2.6 3,-3.4 -2,-0.4 -23,-0.2 -0.983 69.2 -4.2-150.5 142.9 15.8 27.8 35.4 32 32 A N T 3 S- 0 0 35 -25,-3.0 -24,-0.1 -2,-0.3 3,-0.1 0.785 129.7 -54.0 43.1 41.2 18.5 26.1 37.4 33 33 A G T 3 S+ 0 0 14 -25,-0.3 321,-2.4 -26,-0.3 2,-0.4 0.568 116.8 110.4 78.0 6.1 21.1 27.0 34.8 34 34 A K E < S-DE 31 353A 70 -3,-3.4 -3,-2.6 319,-0.2 2,-0.6 -0.907 74.6-117.6-121.2 151.4 19.0 25.5 32.0 35 35 A I E +D 30 0A 0 317,-3.0 316,-4.0 -2,-0.4 -5,-0.3 -0.669 36.9 172.6 -75.4 117.2 17.1 26.9 29.1 36 36 A I E + 0 0 0 -7,-3.4 360,-0.6 -2,-0.6 2,-0.3 0.685 59.7 12.3-103.6 -18.0 13.6 25.8 29.8 37 37 A A E -D 29 0A 0 -8,-1.5 -8,-2.8 312,-0.1 2,-0.4 -0.976 51.2-172.0-159.3 142.6 11.6 27.6 27.2 38 38 A V E +D 28 0A 38 355,-0.4 2,-0.3 -2,-0.3 -10,-0.2 -0.958 36.6 113.6-138.6 116.2 12.2 29.4 24.0 39 39 A A E -D 27 0A 23 -12,-1.3 -12,-2.3 -2,-0.4 3,-0.2 -0.981 64.5 -76.5-173.2 163.0 9.4 31.2 22.3 40 40 A S S S+ 0 0 70 -2,-0.3 -14,-0.1 -14,-0.2 -2,-0.0 -0.438 103.3 3.2 -70.7 137.5 7.9 34.5 21.2 41 41 A N S S- 0 0 133 1,-0.2 -1,-0.2 -2,-0.2 -28,-0.0 0.955 71.2-164.1 51.3 87.2 6.3 36.5 24.0 42 42 A I - 0 0 4 -3,-0.2 2,-0.3 -5,-0.0 -1,-0.2 -0.834 27.4-112.5-105.1 127.2 6.6 34.8 27.3 43 43 A P > - 0 0 47 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.428 19.4-143.2 -57.8 116.2 4.4 35.9 30.1 44 44 A S T 3 S+ 0 0 65 -2,-0.3 6,-0.2 1,-0.3 -33,-0.1 0.440 101.9 49.2 -63.0 -1.4 6.7 37.5 32.6 45 45 A D T 3 S+ 0 0 133 1,-0.1 -1,-0.3 4,-0.1 4,-0.0 0.292 72.7 110.2-120.4 7.1 4.6 36.0 35.3 46 46 A I S < S+ 0 0 41 -3,-2.6 -2,-0.1 1,-0.1 -1,-0.1 0.820 90.0 26.1 -50.4 -35.2 4.6 32.4 33.9 47 47 A V S > S- 0 0 6 -4,-0.3 3,-0.7 390,-0.1 390,-0.1 -0.943 91.0-106.9-130.6 150.0 6.8 31.5 36.9 48 48 A P T 3 S+ 0 0 20 0, 0.0 -39,-0.2 0, 0.0 3,-0.1 -0.305 95.6 14.6 -73.2 157.6 7.2 33.0 40.5 49 49 A N T 3 S+ 0 0 82 1,-0.2 2,-0.4 -41,-0.1 -40,-0.4 0.829 88.8 167.9 47.6 33.1 10.3 35.1 41.7 50 50 A C < - 0 0 26 -3,-0.7 2,-0.7 -6,-0.2 -40,-0.2 -0.651 34.2-138.6 -82.7 131.2 11.2 35.5 38.1 51 51 A T E -b 10 0A 81 -42,-2.8 -40,-3.3 -2,-0.4 2,-0.4 -0.795 20.3-151.4 -90.4 117.0 13.9 37.9 37.2 52 52 A V E -b 11 0A 68 -2,-0.7 2,-0.5 -42,-0.2 -40,-0.2 -0.753 10.6-168.6 -96.0 136.7 12.9 39.7 34.0 53 53 A V E -b 12 0A 26 -42,-2.8 -40,-3.1 -2,-0.4 2,-0.8 -0.967 12.7-146.8-128.1 120.2 15.4 41.1 31.7 54 54 A D E +b 13 0A 103 -2,-0.5 -40,-0.2 -42,-0.2 -42,-0.1 -0.711 24.7 165.8 -86.4 112.0 14.6 43.4 28.8 55 55 A L > + 0 0 2 -42,-4.1 3,-2.5 -2,-0.8 -39,-0.3 0.078 19.4 154.0-111.3 25.6 16.9 42.9 25.9 56 56 A S T 3 S+ 0 0 65 1,-0.3 -41,-0.2 -43,-0.2 3,-0.1 -0.250 70.1 19.3 -55.5 133.3 14.9 44.8 23.5 57 57 A G T 3 S+ 0 0 64 -43,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.535 111.1 101.5 84.9 3.5 17.1 46.1 20.7 58 58 A Q < - 0 0 34 -3,-2.5 -42,-3.6 -44,-0.3 2,-0.4 -0.724 67.2-119.7-118.8 167.9 19.8 43.6 21.5 59 59 A I E -cF 16 359A 12 300,-3.0 300,-2.9 -2,-0.2 2,-0.5 -0.849 17.4-159.7-110.9 145.4 21.0 40.3 20.2 60 60 A L E +cF 17 358A 1 -44,-2.6 -42,-3.3 -2,-0.4 298,-0.2 -0.980 21.8 151.4-125.4 131.5 21.2 37.1 21.9 61 61 A C E - F 0 357A 1 296,-2.1 296,-4.0 -2,-0.5 -42,-0.2 -0.944 45.3 -77.9-149.6 168.9 23.3 34.2 21.0 62 62 A P E - F 0 356A 4 0, 0.0 294,-0.3 0, 0.0 286,-0.1 -0.309 52.1 -97.6 -71.5 151.7 25.1 31.2 22.5 63 63 A G - 0 0 3 292,-1.7 283,-0.2 306,-0.1 34,-0.2 -0.318 45.3-101.0 -66.1 149.5 28.4 31.5 24.4 64 64 A F E -j 97 0B 2 32,-2.6 34,-2.5 292,-0.1 35,-1.8 -0.422 23.3-147.0 -74.1 152.5 31.6 30.7 22.6 65 65 A I E -j 99 0B 2 267,-2.5 2,-0.7 33,-0.2 35,-0.2 -0.988 10.8-165.4-119.8 112.0 33.4 27.5 22.9 66 66 A D E -j 100 0B 0 33,-2.9 35,-2.4 -2,-0.5 3,-0.2 -0.906 6.2-175.8-105.1 107.1 37.2 27.9 22.7 67 67 A Q E + 0 0 10 -2,-0.7 2,-0.2 215,-0.4 216,-0.1 0.226 68.8 57.6 -90.1 19.0 38.7 24.5 22.2 68 68 A H E + 0 0 2 214,-0.1 217,-1.9 35,-0.0 218,-0.5 -0.590 64.7 135.1-147.7 80.4 42.3 25.6 22.3 69 69 A V E -jk 102 286B 0 32,-1.9 2,-2.0 216,-0.2 34,-1.6 -0.988 50.8-137.2-135.5 136.2 43.5 27.4 25.3 70 70 A H > + 0 0 10 216,-2.4 3,-2.0 -2,-0.4 32,-0.1 -0.521 29.9 179.2 -82.2 68.7 46.6 27.0 27.5 71 71 A L T 3 S+ 0 0 0 -2,-2.0 16,-3.0 1,-0.3 -1,-0.2 0.745 77.7 37.7 -42.2 -37.9 44.7 27.3 30.7 72 72 A I T 3 S- 0 0 19 1,-0.4 14,-0.3 31,-0.3 -1,-0.3 0.403 125.6 -86.6 -99.1 -0.7 47.8 26.9 32.9 73 73 A G < - 0 0 1 -3,-2.0 -1,-0.4 12,-0.2 2,-0.2 -0.371 45.1-161.9 112.0 161.6 50.2 28.9 30.8 74 74 A G + 0 0 6 213,-0.5 10,-1.8 -2,-0.2 214,-0.1 -0.497 41.5 87.6-148.4-139.9 52.3 27.8 27.9 75 75 A G B +P 83 0C 8 8,-0.3 32,-0.5 -2,-0.2 8,-0.3 -0.249 19.7 146.3 67.7-156.2 55.3 29.2 26.1 76 76 A G > + 0 0 22 6,-1.6 3,-1.9 3,-0.2 7,-0.2 0.210 32.3 125.8 106.1 -14.9 58.9 28.4 27.1 77 77 A E T 3 S+ 0 0 37 1,-0.3 222,-0.1 5,-0.3 6,-0.1 0.598 82.0 38.5 -53.2 -14.2 60.5 28.4 23.6 78 78 A A T 3 S- 0 0 47 1,-0.6 -1,-0.3 4,-0.0 3,-0.3 -0.142 129.4 -69.7-129.0 42.8 63.0 30.9 24.7 79 79 A G X - 0 0 29 -3,-1.9 3,-2.3 1,-0.2 -1,-0.6 -0.138 68.4 -58.0 94.9 164.9 63.8 29.9 28.2 80 80 A P G > S+ 0 0 107 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.657 123.9 69.0 -57.5 -27.7 61.9 29.9 31.4 81 81 A T G 3 S+ 0 0 135 -3,-0.3 -2,-0.1 1,-0.3 0, 0.0 0.723 94.6 60.4 -69.0 -17.0 61.3 33.6 31.4 82 82 A T G < + 0 0 28 -3,-2.3 -6,-1.6 -6,-0.2 2,-0.7 0.197 69.8 122.3 -99.0 23.5 58.9 32.9 28.5 83 83 A R B < -P 75 0C 101 -3,-1.5 -8,-0.3 -8,-0.3 -10,-0.0 -0.727 61.0-135.4 -78.9 112.1 56.6 30.6 30.4 84 84 A T - 0 0 14 -10,-1.8 2,-0.1 -2,-0.7 205,-0.1 -0.161 19.5-104.0 -69.8 165.6 53.2 32.3 30.0 85 85 A P - 0 0 89 0, 0.0 -12,-0.2 0, 0.0 -1,-0.1 -0.353 36.9 -86.5 -87.6 165.6 50.9 32.8 32.8 86 86 A E - 0 0 122 -14,-0.3 2,-0.4 -13,-0.1 -14,-0.3 -0.209 47.0-101.6 -67.6 160.5 47.7 31.0 33.7 87 87 A V - 0 0 0 -16,-3.0 2,-0.4 -17,-0.1 -1,-0.1 -0.697 32.2-142.3 -87.9 137.2 44.4 32.0 32.3 88 88 A A >> - 0 0 30 -2,-0.4 3,-1.2 1,-0.1 4,-1.1 -0.823 16.3-123.3-101.9 138.0 42.1 34.1 34.5 89 89 A L H >> S+ 0 0 1 -2,-0.4 4,-1.9 1,-0.3 3,-1.6 0.891 107.5 53.3 -39.1 -60.2 38.4 33.6 34.6 90 90 A S H 3> S+ 0 0 12 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.831 101.0 62.6 -55.2 -28.6 37.4 37.2 33.7 91 91 A R H <> S+ 0 0 138 -3,-1.2 4,-0.6 1,-0.2 -1,-0.3 0.877 108.5 42.9 -63.8 -34.7 39.6 37.2 30.7 92 92 A L H X<>S+ 0 0 0 -3,-1.6 5,-2.7 -4,-1.1 3,-0.6 0.954 115.0 45.2 -72.3 -56.1 37.5 34.4 29.3 93 93 A T H ><5S+ 0 0 0 -4,-1.9 3,-2.6 1,-0.3 -2,-0.2 0.926 108.5 56.7 -55.9 -49.5 34.1 35.7 30.1 94 94 A E H 3<5S+ 0 0 68 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.825 107.3 49.8 -55.9 -28.9 34.8 39.2 28.9 95 95 A A T <<5S- 0 0 14 -3,-0.6 216,-0.3 -4,-0.6 -1,-0.3 0.451 124.8-104.7 -89.6 0.6 35.7 37.7 25.5 96 96 A G T < 5S+ 0 0 0 -3,-2.6 -32,-2.6 -4,-0.3 2,-0.7 0.565 70.9 146.6 89.2 14.6 32.5 35.7 25.5 97 97 A V E < +j 64 0B 0 -5,-2.7 -1,-0.2 -34,-0.2 -32,-0.2 -0.737 10.4 158.2 -88.3 117.5 34.0 32.3 26.3 98 98 A T E + 0 0 0 -34,-2.5 31,-2.0 -2,-0.7 2,-0.4 0.569 68.2 41.1-109.1 -15.3 31.6 30.2 28.3 99 99 A S E -jl 65 129B 0 -35,-1.8 -33,-2.9 29,-0.2 2,-0.3 -1.000 68.4-179.3-137.4 134.0 33.2 26.8 27.4 100 100 A V E -jl 66 130B 0 29,-2.6 31,-2.5 -2,-0.4 2,-0.5 -0.976 24.0-152.3-139.7 148.6 36.8 25.9 27.1 101 101 A V E - l 0 131B 3 -35,-2.4 -32,-1.9 -2,-0.3 31,-0.3 -0.985 26.1-153.7-115.9 113.2 39.1 22.9 26.2 102 102 A G E +jl 69 132B 0 29,-3.2 31,-2.1 -2,-0.5 2,-0.3 -0.556 20.8 164.7 -88.2 148.6 42.5 23.3 27.9 103 103 A L - 0 0 0 -34,-1.6 -31,-0.3 -2,-0.2 2,-0.2 -0.962 30.9-119.0-155.5 169.8 45.7 21.8 26.6 104 104 A L - 0 0 3 31,-0.3 4,-0.1 -2,-0.3 -30,-0.1 -0.679 26.5-173.7-110.5 161.5 49.5 21.8 26.8 105 105 A G - 0 0 8 2,-0.4 32,-1.8 -2,-0.2 33,-0.4 0.070 57.1 -13.0-125.9-124.1 52.0 22.7 24.0 106 106 A T S S+ 0 0 46 30,-0.1 2,-0.7 31,-0.1 32,-0.2 0.941 117.8 63.0 -54.4 -52.2 55.7 22.7 23.5 107 107 A D + 0 0 28 -32,-0.5 -2,-0.4 1,-0.1 -1,-0.1 -0.694 40.7 152.0 -90.2 119.6 56.7 22.3 27.1 108 108 A S + 0 0 12 -2,-0.7 -1,-0.1 -4,-0.1 -2,-0.1 -0.111 67.6 72.4-125.9 31.0 55.7 19.2 28.9 109 109 A I S S+ 0 0 126 3,-0.1 -2,-0.1 0, 0.0 3,-0.0 0.670 111.9 21.3-111.6 -43.6 58.6 19.3 31.3 110 110 A S S S+ 0 0 44 1,-0.0 2,-0.4 2,-0.0 -2,-0.1 0.445 121.9 71.9-105.3 0.2 57.7 22.2 33.5 111 111 A R - 0 0 27 -6,-0.1 -7,-0.1 4,-0.0 3,-0.0 -0.957 67.5-168.0-116.1 134.4 54.0 21.8 32.5 112 112 A H >> - 0 0 83 -2,-0.4 4,-2.2 1,-0.1 3,-0.7 -0.961 32.0-134.2-131.7 142.7 51.9 18.8 33.7 113 113 A P H 3> S+ 0 0 11 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.849 108.5 59.7 -61.7 -32.4 48.5 17.2 32.9 114 114 A E H 3> S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.873 107.4 45.1 -63.8 -34.3 47.8 17.0 36.7 115 115 A S H <> S+ 0 0 57 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.948 112.5 50.3 -72.1 -44.2 48.1 20.7 36.9 116 116 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.917 109.7 52.9 -56.1 -44.0 46.0 21.3 33.8 117 117 A L H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.920 107.8 49.7 -62.5 -40.8 43.4 19.0 35.3 118 118 A A H X S+ 0 0 62 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.912 111.4 48.8 -63.6 -40.8 43.3 21.0 38.5 119 119 A K H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.885 107.6 55.5 -64.2 -39.7 42.9 24.3 36.7 120 120 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.904 110.4 46.2 -59.4 -42.4 40.1 22.7 34.5 121 121 A R H X S+ 0 0 52 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.873 107.7 55.7 -68.6 -39.3 38.2 21.8 37.7 122 122 A A H X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.907 108.3 50.1 -60.4 -42.7 38.8 25.2 39.2 123 123 A L H X>S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 4,-1.5 0.887 108.3 50.1 -66.1 -38.8 37.2 26.8 36.2 124 124 A N H <5S+ 0 0 31 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.935 113.0 48.7 -66.1 -37.3 34.2 24.6 36.3 125 125 A E H <5S+ 0 0 166 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 105.5 57.4 -71.9 -27.4 33.8 25.4 39.9 126 126 A E H <5S- 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.791 129.8 -82.2 -73.8 -22.9 34.2 29.1 39.3 127 127 A G T <5S+ 0 0 9 -4,-1.5 246,-0.2 1,-0.4 -3,-0.2 0.287 96.3 80.3 145.5 -21.5 31.2 29.2 36.9 128 128 A I S - 0 0 35 1,-0.2 4,-2.3 -5,-0.0 -2,-0.3 -0.996 67.5-145.2-137.8 139.1 48.1 5.4 29.1 148 148 A V H > S+ 0 0 10 -2,-0.4 4,-2.5 2,-0.2 5,-0.3 0.956 105.7 49.5 -60.8 -49.8 46.3 7.6 26.6 149 149 A E H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 112.3 47.6 -54.4 -47.3 43.4 5.2 26.5 150 150 A K H > S+ 0 0 60 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.896 111.0 51.3 -66.4 -37.0 43.1 5.0 30.3 151 151 A D H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 7,-0.3 0.955 115.7 40.5 -62.8 -49.6 43.3 8.8 30.6 152 152 A V H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.890 120.5 45.9 -67.1 -37.5 40.5 9.4 28.1 153 153 A A H < S+ 0 0 13 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.926 126.6 23.6 -74.0 -41.7 38.6 6.6 29.4 154 154 A I H < S+ 0 0 21 -4,-3.2 2,-0.8 -5,-0.2 -3,-0.2 0.678 96.8 81.9-105.7 -15.5 38.9 7.3 33.1 155 155 A I >< - 0 0 1 -4,-2.8 3,-1.5 -5,-0.3 390,-0.1 -0.839 68.3-145.8 -93.9 116.6 39.6 11.0 33.8 156 156 A D T 3 S+ 0 0 34 -2,-0.8 -1,-0.2 1,-0.3 389,-0.1 0.830 94.0 45.4 -49.3 -43.0 36.4 12.7 33.7 157 157 A R T 3 S+ 0 0 46 -26,-0.1 -25,-2.1 -3,-0.1 2,-0.4 0.642 90.9 98.8 -79.0 -12.0 37.6 16.0 32.3 158 158 A V E < +m 132 0B 0 -3,-1.5 -25,-0.2 -7,-0.3 3,-0.1 -0.677 38.1 165.6 -78.8 126.7 39.8 14.4 29.6 159 159 A I E - 0 0 5 -27,-2.4 37,-1.3 -2,-0.4 38,-1.2 0.403 60.8 -30.3-115.3 -4.7 38.2 14.3 26.1 160 160 A G E -mn 133 197B 0 -28,-0.6 -26,-2.8 36,-0.2 2,-0.3 -0.974 67.9 -79.1 177.2-165.8 41.0 13.4 23.8 161 161 A V E -mn 134 198B 0 36,-2.5 38,-2.5 -2,-0.3 2,-0.3 -0.946 24.4-144.2-132.8 148.9 44.7 13.8 23.2 162 162 A K E +mn 135 199B 1 -28,-2.9 -26,-1.0 -2,-0.3 2,-0.3 -0.790 24.6 155.6-108.6 151.5 47.1 16.4 21.9 163 163 A C E - n 0 200B 0 36,-1.7 38,-2.9 -2,-0.3 2,-0.4 -0.963 31.3-123.6-159.4 171.7 50.2 16.0 19.8 164 164 A A E + n 0 201B 0 -27,-1.4 7,-0.4 -2,-0.3 2,-0.3 -0.975 27.2 172.5-127.6 139.0 52.4 18.0 17.3 165 165 A I E + n 0 202B 3 36,-2.6 38,-1.2 -2,-0.4 40,-0.2 -0.924 58.9 23.8-137.4 165.8 53.4 17.1 13.7 166 166 A S S S+ 0 0 13 -2,-0.3 39,-2.6 36,-0.2 2,-0.3 0.879 96.2 115.7 47.0 46.5 55.2 18.7 10.7 167 167 A D S > S- 0 0 11 36,-0.2 3,-2.0 37,-0.2 5,-0.3 -0.999 76.6-126.5-149.1 141.4 57.0 21.0 13.1 168 168 A H T 3 S+ 0 0 106 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.467 112.3 54.8 -67.2 0.6 60.6 21.6 14.1 169 169 A R T 3 S+ 0 0 42 -4,-0.1 -1,-0.3 -32,-0.0 -5,-0.1 0.237 83.4 112.3-115.9 9.6 59.5 21.2 17.8 170 170 A S S < S- 0 0 38 -3,-2.0 -32,-0.1 1,-0.1 -5,-0.1 -0.219 77.9-118.9 -73.0 172.4 57.8 17.8 17.3 171 171 A A - 0 0 37 -34,-0.4 -1,-0.1 -7,-0.4 -3,-0.1 0.126 49.5-112.4 -97.1 19.7 59.3 14.6 18.9 172 172 A A - 0 0 87 -5,-0.3 -7,-0.1 1,-0.1 -34,-0.0 0.907 48.6-171.3 52.5 48.1 59.7 13.2 15.4 173 173 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.363 13.6-133.5 -72.3 156.1 57.1 10.5 15.9 174 174 A D >> - 0 0 85 1,-0.0 4,-2.1 -2,-0.0 3,-0.6 -0.589 32.5 -94.1 -98.6 165.1 56.7 7.8 13.3 175 175 A V H 3> S+ 0 0 47 1,-0.2 4,-3.2 -2,-0.2 5,-0.2 0.861 121.6 56.6 -48.3 -44.9 53.5 6.6 11.9 176 176 A Y H 3> S+ 0 0 146 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.899 107.2 48.5 -57.9 -43.2 53.1 3.8 14.4 177 177 A H H <> S+ 0 0 69 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.919 114.2 46.1 -63.9 -41.1 53.3 6.1 17.3 178 178 A L H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.944 113.1 48.9 -65.5 -50.1 50.8 8.4 15.9 179 179 A A H X S+ 0 0 8 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.927 112.1 47.8 -54.8 -53.4 48.4 5.6 14.9 180 180 A N H X S+ 0 0 59 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.916 110.8 51.3 -56.5 -44.5 48.5 4.0 18.3 181 181 A M H X S+ 0 0 6 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.928 112.6 46.0 -59.7 -46.0 48.0 7.2 20.1 182 182 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.884 111.7 51.2 -62.4 -43.4 45.0 8.0 18.0 183 183 A A H X S+ 0 0 34 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.901 109.2 51.3 -62.5 -40.6 43.6 4.6 18.4 184 184 A E H X S+ 0 0 41 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.863 110.8 47.7 -66.2 -38.4 43.9 4.7 22.1 185 185 A S H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.934 112.0 51.6 -66.1 -45.3 42.1 8.1 22.3 186 186 A R H X S+ 0 0 76 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.941 115.2 40.0 -53.5 -55.1 39.4 6.7 20.1 187 187 A V H X S+ 0 0 57 -4,-2.9 4,-1.8 1,-0.2 3,-0.2 0.918 112.5 53.2 -66.5 -43.6 38.9 3.7 22.2 188 188 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.844 106.9 58.0 -62.3 -26.3 39.2 5.4 25.6 189 189 A G H X>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 4,-1.7 0.891 103.8 48.1 -69.8 -40.6 36.5 7.8 24.2 190 190 A L H <5S+ 0 0 112 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.940 116.2 45.2 -63.9 -43.9 33.9 5.1 23.6 191 191 A L H <5S+ 0 0 127 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.848 121.7 36.5 -65.4 -40.7 34.5 3.7 27.0 192 192 A G H <5S- 0 0 27 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.496 110.5-115.4 -93.5 -10.8 34.5 7.0 28.8 193 193 A G T <5S+ 0 0 66 -4,-1.7 -3,-0.2 1,-0.3 -4,-0.1 0.903 70.8 134.3 77.4 37.0 31.8 8.6 26.6 194 194 A K S - 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