==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-03 1RJP . COMPND 2 MOLECULE: D-AMINOACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR W.L.LAI,L.Y.CHOU,C.Y.TING,Y.C.TSAI,S.H.LIAW . 474 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 33 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 1 1 2 3 1 2 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 6 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 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 . 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 7 A P 0 0 80 0, 0.0 41,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 148.9 42.7 28.8 3.0 2 8 A F B -a 42 0A 16 39,-2.5 41,-2.3 1,-0.1 25,-0.3 -0.512 360.0-128.7 -80.4 154.0 40.5 26.2 4.6 3 9 A D S S- 0 0 62 23,-2.3 2,-0.3 1,-0.3 24,-0.2 0.875 85.9 -21.6 -69.7 -36.2 41.9 24.3 7.6 4 10 A Y E -B 26 0B 12 22,-1.4 22,-2.6 39,-0.2 2,-0.4 -0.986 54.5-142.1-165.9 161.9 40.9 21.1 5.9 5 11 A I E -Bc 25 45B 0 39,-1.8 41,-2.6 -2,-0.3 2,-0.8 -0.995 13.5-144.4-131.2 136.2 38.6 19.6 3.3 6 12 A L E -Bc 24 46B 0 18,-2.6 18,-2.0 -2,-0.4 2,-0.3 -0.912 40.0-168.2 -97.6 107.5 37.0 16.3 3.6 7 13 A S E + c 0 47B 21 39,-2.4 41,-2.9 -2,-0.8 42,-0.2 -0.757 43.3 17.7-113.8 153.3 37.2 15.2 -0.0 8 14 A G S S+ 0 0 41 -2,-0.3 42,-0.6 1,-0.2 -1,-0.2 0.452 90.1 111.1 82.8 3.9 35.8 12.6 -2.3 9 15 A G S S- 0 0 0 13,-0.4 13,-1.8 -3,-0.3 2,-0.5 -0.230 71.5 -95.6 -98.9-170.0 32.9 11.4 -0.2 10 16 A T E -Fg 21 52C 44 41,-2.4 43,-2.5 38,-0.3 2,-0.5 -0.932 32.4-144.0-109.8 124.0 29.1 11.6 -0.3 11 17 A V E -Fg 20 53C 0 9,-3.0 9,-1.9 -2,-0.5 2,-0.7 -0.760 15.0-173.8 -93.3 128.2 27.4 14.4 1.6 12 18 A I - 0 0 5 41,-2.1 7,-0.1 -2,-0.5 -2,-0.0 -0.971 16.7-162.0-113.4 102.6 24.0 13.7 3.2 13 19 A D - 0 0 14 -2,-0.7 402,-1.9 4,-0.2 41,-0.1 0.374 33.2-111.2 -76.5 3.9 23.4 17.3 4.3 14 20 A G S S+ 0 0 0 3,-0.2 387,-0.3 400,-0.2 -1,-0.1 0.594 92.7 105.2 79.6 12.2 20.7 16.6 6.9 15 21 A T S S- 0 0 56 2,-0.2 379,-0.1 386,-0.1 399,-0.1 0.183 99.1-102.9-108.5 16.5 17.9 18.2 5.0 16 22 A N S S+ 0 0 65 377,-0.4 378,-0.1 1,-0.2 377,-0.1 0.959 80.1 131.1 62.0 53.5 16.3 14.8 4.1 17 23 A A - 0 0 31 376,-0.2 -1,-0.2 3,-0.0 -3,-0.2 -0.985 67.5 -90.1-133.1 142.5 17.7 14.8 0.5 18 24 A P - 0 0 93 0, 0.0 -5,-0.2 0, 0.0 -7,-0.1 -0.162 55.1 -96.8 -52.0 143.3 19.5 11.9 -1.2 19 25 A G - 0 0 33 -7,-0.1 2,-0.3 -9,-0.1 -7,-0.2 -0.234 40.3-162.3 -63.7 154.1 23.3 12.1 -0.8 20 26 A R E -F 11 0C 106 -9,-1.9 -9,-3.0 -3,-0.1 2,-0.3 -0.989 29.5 -98.2-139.2 145.9 25.5 13.6 -3.5 21 27 A L E +F 10 0C 143 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.484 66.3 133.5 -64.4 121.9 29.2 13.5 -4.2 22 28 A A - 0 0 8 -13,-1.8 -13,-0.4 -2,-0.3 2,-0.2 -0.963 50.2-121.0-167.3 154.1 30.8 16.6 -2.7 23 29 A D E - D 0 35B 22 12,-3.3 12,-2.2 -2,-0.3 2,-0.5 -0.641 22.1-141.2 -96.5 159.2 33.7 17.8 -0.6 24 30 A V E -BD 6 34B 0 -18,-2.0 -18,-2.6 -2,-0.2 2,-0.4 -0.979 12.6-158.4-126.3 119.9 33.2 19.7 2.7 25 31 A G E -BD 5 33B 0 8,-2.9 7,-2.5 -2,-0.5 8,-1.2 -0.832 6.3-165.7-101.7 135.9 35.6 22.6 3.5 26 32 A V E +BD 4 31B 0 -22,-2.6 -23,-2.3 -2,-0.4 -22,-1.4 -0.944 11.9 179.1-122.0 137.1 36.1 23.8 7.1 27 33 A R E > - D 0 30B 125 3,-2.3 3,-1.7 -2,-0.4 2,-0.2 -0.959 69.0 -41.6-134.2 115.7 37.7 27.0 8.4 28 34 A G T 3 S- 0 0 44 -2,-0.4 4,-0.1 1,-0.2 -25,-0.0 -0.480 123.8 -22.6 66.6-130.3 37.8 27.4 12.1 29 35 A D T 3 S+ 0 0 40 -2,-0.2 392,-2.6 425,-0.1 2,-0.3 0.300 122.0 85.6 -97.4 10.1 34.5 26.3 13.7 30 36 A R E < S-DE 27 420B 72 -3,-1.7 -3,-2.3 390,-0.3 2,-0.8 -0.822 79.6-120.3-117.1 152.4 32.5 26.8 10.4 31 37 A I E -D 26 0B 1 388,-2.7 387,-2.9 385,-0.3 -5,-0.3 -0.778 32.3-170.9 -82.0 115.1 31.7 24.8 7.3 32 38 A A E - 0 0 28 -7,-2.5 2,-0.3 -2,-0.8 -6,-0.2 0.877 57.2 -13.1 -81.3 -36.8 33.2 27.1 4.7 33 39 A A E -D 25 0B 22 -8,-1.2 -8,-2.9 -3,-0.1 2,-0.3 -0.985 51.1-151.6-160.7 161.9 31.9 25.5 1.5 34 40 A V E +D 24 0B 33 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.997 58.0 44.7-141.1 134.8 30.4 22.4 0.1 35 41 A G E S-D 23 0B 21 -12,-2.2 -12,-3.3 -2,-0.3 2,-1.0 -0.986 105.9 -6.1 136.1-149.2 30.7 21.0 -3.4 36 42 A D + 0 0 130 -2,-0.3 3,-0.3 -14,-0.2 -2,-0.1 -0.771 64.1 170.4 -84.6 105.8 33.6 20.5 -5.7 37 43 A L > + 0 0 11 -2,-1.0 3,-2.0 1,-0.2 -1,-0.1 0.138 37.1 115.8-106.4 21.5 36.4 22.2 -3.7 38 44 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -15,-0.0 -2,-0.0 0.805 78.8 53.8 -58.0 -27.7 39.4 21.1 -5.7 39 45 A A T 3 S+ 0 0 99 -3,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.476 90.0 92.5 -88.4 0.1 40.0 24.8 -6.5 40 46 A S S < S- 0 0 34 -3,-2.0 2,-0.1 -39,-0.0 -3,-0.0 -0.803 79.6-122.2 -97.0 131.8 40.0 25.9 -2.9 41 47 A S + 0 0 83 -2,-0.5 -39,-2.5 2,-0.0 2,-0.3 -0.447 38.5 174.0 -67.3 143.2 43.3 26.2 -1.1 42 48 A A B -a 2 0A 22 -41,-0.3 -39,-0.2 -2,-0.1 3,-0.1 -0.989 40.2-135.8-150.6 147.1 43.4 24.0 2.1 43 49 A R S S+ 0 0 184 -41,-2.3 2,-0.3 -2,-0.3 -39,-0.2 0.755 97.6 18.4 -77.0 -23.1 46.0 23.0 4.6 44 50 A R - 0 0 132 -42,-0.3 -39,-1.8 -41,-0.1 2,-0.6 -0.995 59.4-161.1-147.5 141.4 44.8 19.4 4.5 45 51 A R E -c 5 0B 112 -2,-0.3 2,-0.6 -41,-0.2 -39,-0.2 -0.891 20.6-160.1-124.8 96.0 42.8 17.4 2.0 46 52 A I E -c 6 0B 31 -41,-2.6 -39,-2.4 -2,-0.6 2,-0.5 -0.686 14.4-131.3 -84.0 117.4 41.5 14.4 3.8 47 53 A D E +c 7 0B 117 -2,-0.6 -39,-0.2 -41,-0.2 -41,-0.1 -0.547 35.0 163.6 -72.2 117.5 40.4 11.5 1.6 48 54 A V > + 0 0 1 -41,-2.9 3,-2.0 -2,-0.5 -38,-0.3 -0.127 17.0 159.6-122.7 34.7 37.0 10.2 2.7 49 55 A A T 3 + 0 0 51 1,-0.3 -40,-0.2 -42,-0.2 3,-0.1 -0.334 68.8 21.3 -59.8 137.7 36.2 8.2 -0.5 50 56 A G T 3 S+ 0 0 59 -42,-0.6 379,-0.3 1,-0.3 -1,-0.3 0.397 109.5 102.8 84.1 -2.0 33.5 5.6 0.0 51 57 A K < - 0 0 50 -3,-2.0 -41,-2.4 376,-0.2 2,-0.4 -0.623 68.3-126.6-109.7 167.4 32.3 7.4 3.2 52 58 A V E -gH 10 426C 6 374,-3.2 374,-2.2 -2,-0.2 2,-0.5 -0.924 13.4-155.0-112.7 138.3 29.4 9.7 4.0 53 59 A V E +gH 11 425C 0 -43,-2.5 -41,-2.1 -2,-0.4 372,-0.2 -0.980 29.3 159.4-111.6 123.2 29.9 13.1 5.5 54 60 A S E - H 0 424C 0 370,-2.3 370,-2.5 -2,-0.5 -41,-0.2 -0.827 47.0 -76.9-136.0 173.4 26.8 14.2 7.4 55 61 A P E - H 0 423C 2 0, 0.0 368,-0.3 0, 0.0 360,-0.1 -0.337 63.6 -88.9 -67.6 161.7 26.0 16.7 10.2 56 62 A G - 0 0 2 366,-1.7 2,-0.2 367,-0.1 26,-0.2 -0.408 51.1-100.9 -67.7 146.5 27.1 15.5 13.7 57 63 A F E -l 82 0D 0 24,-2.4 26,-2.9 -3,-0.1 27,-1.5 -0.527 28.9-148.7 -76.0 136.4 24.3 13.5 15.4 58 64 A I E -l 84 0D 2 341,-2.7 2,-1.1 -2,-0.2 27,-0.2 -0.918 8.3-144.4-106.3 113.5 22.3 15.4 18.0 59 65 A D E -l 85 0D 0 25,-2.8 27,-2.1 -2,-0.6 3,-0.2 -0.662 13.4-168.4 -81.7 102.7 21.1 13.2 20.9 60 66 A S S S+ 0 0 0 297,-1.6 2,-0.3 -2,-1.1 298,-0.2 0.610 73.5 41.7 -70.1 -10.8 17.7 14.6 21.6 61 67 A H S S+ 0 0 1 296,-0.2 299,-2.6 215,-0.1 300,-0.4 -0.741 74.5 145.4-141.8 93.9 17.2 12.6 24.9 62 68 A T - 0 0 0 24,-2.0 27,-0.7 -2,-0.3 26,-0.1 -0.830 43.9-154.8-125.8 166.0 20.1 12.2 27.3 63 69 A H + 0 0 6 298,-0.7 4,-0.3 -2,-0.3 3,-0.3 -0.376 59.4 123.6-127.4 47.3 20.8 12.0 31.0 64 70 A D > + 0 0 2 22,-0.2 4,-2.6 1,-0.2 5,-0.3 0.326 27.8 117.6 -91.0 4.7 24.4 13.3 30.4 65 71 A D T 4 S+ 0 0 2 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.854 90.0 22.1 -37.5 -59.0 24.0 16.2 32.9 66 72 A N T >> S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 3,-1.5 0.822 115.3 66.5 -83.7 -34.9 26.7 15.0 35.2 67 73 A Y H 3> S+ 0 0 31 -4,-0.3 4,-2.8 1,-0.3 7,-0.3 0.861 94.0 61.6 -55.9 -36.3 28.6 12.8 32.8 68 74 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.809 111.0 40.4 -59.5 -30.5 29.6 15.9 30.9 69 75 A L H <4 S+ 0 0 31 -3,-1.5 3,-0.4 -4,-0.3 -2,-0.2 0.853 121.7 37.7 -86.3 -40.7 31.4 17.1 34.0 70 76 A K H < S+ 0 0 82 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.732 128.7 27.5 -86.9 -24.4 33.0 13.9 35.2 71 77 A H >< + 0 0 61 -4,-2.8 3,-2.4 -5,-0.3 -1,-0.2 -0.595 65.6 175.5-138.8 73.0 33.9 12.3 31.9 72 78 A R T 3 S+ 0 0 76 -3,-0.4 61,-2.7 1,-0.3 62,-0.2 0.670 73.6 72.4 -55.8 -21.1 34.5 15.2 29.5 73 79 A D T 3 S- 0 0 45 59,-0.2 -1,-0.3 60,-0.1 5,-0.2 0.792 81.4-160.8 -64.5 -29.5 35.7 12.8 26.8 74 80 A M X> + 0 0 1 -3,-2.4 4,-2.5 -7,-0.3 3,-1.4 0.806 22.0 168.3 51.1 35.5 32.0 11.7 26.4 75 81 A T H 3> + 0 0 19 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.796 65.2 63.4 -49.8 -38.4 33.2 8.5 24.7 76 82 A P H 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.889 117.2 29.5 -56.5 -37.0 29.8 6.7 24.9 77 83 A K H X4>S+ 0 0 1 -3,-1.4 5,-2.3 2,-0.1 3,-1.8 0.894 118.0 50.1 -91.6 -48.1 28.4 9.4 22.6 78 84 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -3,-0.2 0.840 103.5 63.1 -64.6 -25.8 31.2 10.6 20.4 79 85 A S T 3<5S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.3 365,-0.2 0.610 105.7 47.0 -71.5 -9.9 32.1 7.0 19.5 80 86 A Q T < 5S- 0 0 0 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.334 128.6 -95.9-106.8 -0.4 28.6 6.8 17.9 81 87 A G T < 5S+ 0 0 0 -3,-1.4 -24,-2.4 -4,-0.3 2,-0.3 0.526 71.7 152.3 96.7 7.2 28.9 10.1 16.0 82 88 A V E < +l 57 0D 0 -5,-2.3 -1,-0.3 -26,-0.2 -24,-0.2 -0.578 14.4 167.6 -77.0 130.6 27.1 12.3 18.6 83 89 A T E + 0 0 0 -26,-2.9 52,-2.8 -2,-0.3 2,-0.3 0.543 66.2 32.7-114.3 -15.6 28.3 16.0 18.5 84 90 A T E -lm 58 135D 0 -27,-1.5 -25,-2.8 50,-0.2 2,-0.4 -0.998 63.9-159.9-142.5 140.6 25.5 17.6 20.7 85 91 A V E -lm 59 136D 0 50,-2.5 52,-2.6 -2,-0.3 2,-0.6 -0.972 12.3-144.8-125.2 142.8 23.5 16.3 23.7 86 92 A V E - m 0 137D 0 -27,-2.1 -24,-2.0 -2,-0.4 52,-0.2 -0.920 32.7-173.0-102.3 118.2 20.2 17.6 25.1 87 93 A T E + m 0 138D 0 50,-1.9 52,-1.2 -2,-0.6 -24,-0.1 -0.491 47.4 54.4-107.5 177.2 20.2 17.2 28.9 88 94 A G S S+ 0 0 0 50,-0.2 3,-0.4 4,-0.2 93,-0.2 0.928 71.9 166.1 65.7 49.6 17.9 17.5 31.9 89 95 A N > + 0 0 2 -27,-0.7 3,-2.4 3,-0.3 -1,-0.1 -0.468 45.1 23.3 -96.3 164.9 15.2 15.2 30.7 90 96 A C T 3 S- 0 0 2 1,-0.3 -1,-0.2 92,-0.2 96,-0.2 0.734 131.2 -59.0 55.7 28.4 12.1 13.5 32.3 91 97 A G T 3 S+ 0 0 0 -3,-0.4 53,-1.6 91,-0.4 52,-1.0 0.391 114.0 118.5 83.9 -0.9 12.0 16.1 35.1 92 98 A I < + 0 0 2 -3,-2.4 2,-0.3 51,-0.2 -3,-0.3 -0.851 29.4 154.7-104.8 103.0 15.6 15.2 36.1 93 99 A S - 0 0 0 -2,-0.7 47,-0.1 48,-0.2 16,-0.1 -0.933 45.3-131.0-123.8 152.3 18.3 17.9 35.9 94 100 A L S S+ 0 0 0 -2,-0.3 23,-0.3 1,-0.0 3,-0.2 0.877 78.3 88.6 -67.1 -35.3 21.5 18.0 37.9 95 101 A A + 0 0 0 1,-0.2 46,-0.5 21,-0.1 50,-0.1 -0.864 67.2 30.1-122.3 155.0 20.9 21.6 38.8 96 102 A P S S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.311 93.8 92.5 -96.1 122.0 19.6 23.5 40.7 97 103 A L E -O 117 0E 10 20,-2.0 2,-0.8 -3,-0.2 20,-0.6 -0.749 46.2-161.7-172.1 121.3 19.9 21.3 43.9 98 104 A A E +O 116 0E 74 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.904 43.5 137.0-105.3 104.7 22.4 20.9 46.7 99 105 A H - 0 0 76 16,-1.8 16,-0.5 -2,-0.8 14,-0.1 -0.973 48.0-154.7-154.8 136.1 21.6 17.5 48.1 100 106 A A S S+ 0 0 69 -2,-0.3 13,-0.4 1,-0.2 14,-0.1 0.669 98.4 25.1 -85.0 -17.3 23.6 14.6 49.3 101 107 A N S S- 0 0 127 11,-0.1 -1,-0.2 12,-0.1 3,-0.1 -0.424 78.7-172.7-145.0 64.1 20.9 12.0 48.8 102 108 A P - 0 0 10 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.233 35.4 -96.8 -59.1 148.5 18.4 13.2 46.1 103 109 A P > - 0 0 41 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.388 59.4 -65.4 -69.2 140.4 15.3 11.0 45.6 104 110 A A T 3 S+ 0 0 25 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 -0.367 119.6 33.6 -60.2 146.8 15.2 8.4 42.8 105 111 A P T > S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.928 110.6 68.0 -86.7 16.9 15.3 8.8 39.8 106 112 A L G X S+ 0 0 0 -3,-2.3 3,-2.0 1,-0.3 4,-0.4 0.812 88.5 72.1 -62.3 -27.3 17.5 11.8 40.4 107 113 A D G > S+ 0 0 27 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.656 74.3 81.5 -64.7 -11.9 20.1 9.3 41.6 108 114 A L G < S+ 0 0 6 -3,-1.9 256,-0.5 1,-0.2 -1,-0.3 0.778 98.3 42.0 -63.9 -21.1 20.6 8.2 38.0 109 115 A L G < S+ 0 0 0 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 0.522 95.1 106.0 -98.7 -9.3 22.9 11.2 37.6 110 116 A D < + 0 0 34 -3,-0.7 -3,-0.0 -4,-0.4 -16,-0.0 -0.566 34.1 172.0 -84.0 134.4 24.7 10.9 40.9 111 117 A E S S- 0 0 95 -2,-0.3 -1,-0.1 -45,-0.0 -4,-0.0 0.263 80.1 -59.3-112.1 4.3 28.3 9.7 41.3 112 118 A G S S- 0 0 64 -5,-0.1 -11,-0.1 -12,-0.0 -12,-0.1 0.529 121.1 -0.4 114.9 96.1 28.3 10.5 45.0 113 119 A G S S+ 0 0 45 -13,-0.4 -13,-0.1 -14,-0.1 -12,-0.1 0.792 84.6 137.5 69.3 27.9 27.7 14.1 46.1 114 120 A S + 0 0 3 1,-0.2 2,-1.9 -14,-0.1 3,-0.2 0.777 46.8 84.1 -76.6 -25.3 27.3 15.3 42.5 115 121 A F + 0 0 6 -16,-0.5 -16,-1.8 1,-0.2 -1,-0.2 -0.568 52.0 125.7 -80.2 84.9 24.3 17.5 43.3 116 122 A R E +O 98 0E 152 -2,-1.9 2,-0.7 -18,-0.2 -1,-0.2 0.348 30.9 108.6-123.7 3.7 26.3 20.5 44.4 117 123 A F E -O 97 0E 7 -20,-0.6 -20,-2.0 -23,-0.3 6,-0.1 -0.755 40.1-175.0 -93.2 111.5 25.0 23.3 42.2 118 124 A A S S+ 0 0 65 -2,-0.7 2,-0.3 -22,-0.2 -1,-0.2 0.858 75.5 34.4 -68.9 -37.4 22.8 25.9 44.1 119 125 A R S >> S- 0 0 157 1,-0.1 4,-1.1 -22,-0.1 3,-0.7 -0.910 77.5-128.3-120.6 148.2 22.0 27.8 40.9 120 126 A F H >> S+ 0 0 8 -2,-0.3 4,-1.9 1,-0.3 3,-0.7 0.906 111.7 59.8 -60.0 -37.8 21.4 26.6 37.4 121 127 A S H 3> S+ 0 0 30 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.834 97.2 59.1 -60.9 -31.4 23.9 29.2 36.3 122 128 A 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156 A M < - 0 0 11 -4,-2.8 3,-0.2 -5,-0.3 -1,-0.1 -0.588 50.1-162.3 -84.5 130.9 9.3 21.1 48.8 151 157 A P S S+ 0 0 121 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.848 92.1 31.7 -72.1 -33.5 9.9 19.6 52.3 152 158 A D - 0 0 73 1,-0.1 3,-0.2 3,-0.0 -5,-0.0 -0.981 63.9-174.6-129.7 118.4 7.3 16.9 51.4 153 159 A L + 0 0 33 -2,-0.4 2,-1.3 1,-0.2 38,-0.4 0.632 66.1 87.2 -88.2 -15.4 7.0 15.6 47.8 154 160 A R S S+ 0 0 195 36,-0.1 2,-0.3 37,-0.1 -1,-0.2 -0.179 89.0 47.4 -81.5 47.0 4.0 13.3 48.3 155 161 A R S S- 0 0 74 -2,-1.3 36,-0.2 -3,-0.2 -3,-0.0 -0.967 97.0 -75.6-169.3 167.4 1.4 16.0 47.7 156 162 A E - 0 0 104 -2,-0.3 2,-0.2 1,-0.1 36,-0.1 -0.324 57.4-103.9 -68.6 158.0 0.5 18.8 45.4 157 163 A A - 0 0 9 1,-0.1 -1,-0.1 34,-0.1 36,-0.1 -0.607 30.3-122.0 -85.5 148.9 2.6 22.0 45.8 158 164 A T > - 0 0 68 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.286 31.9-100.9 -78.9 170.2 1.2 25.1 47.5 159 165 A A H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 125.8 51.1 -60.0 -42.0 1.1 28.5 45.8 160 166 A D H > S+ 0 0 119 1,-0.2 4,-1.9 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-1,-0.1 -3,-0.7 -36,-0.1 0.755 86.9 49.5 -58.7 -24.1 3.5 11.7 40.9 191 197 A H T 3 S+ 0 0 92 -4,-0.4 2,-0.3 -38,-0.4 -1,-0.3 0.440 83.2 112.2 -95.7 -0.6 1.5 14.1 43.1 192 198 A A < - 0 0 1 -3,-1.9 2,-0.1 -36,-0.1 -36,-0.1 -0.586 62.4-138.2 -75.4 132.0 2.0 17.2 40.9 193 199 A S > - 0 0 30 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.390 22.2-109.9 -83.5 165.3 -1.2 18.3 39.2 194 200 A T H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 121.0 54.9 -62.4 -38.3 -1.4 19.5 35.7 195 201 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 104.9 52.8 -63.7 -34.8 -2.1 23.0 37.0 196 202 A E H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 110.3 48.1 -64.0 -46.4 1.1 22.9 39.1 197 203 A I H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.907 110.5 51.0 -60.4 -44.8 3.1 21.9 36.0 198 204 A I H X S+ 0 0 1 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.954 111.5 47.1 -59.2 -50.4 1.6 24.7 33.9 199 205 A E H >< S+ 0 0 70 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.897 111.2 50.1 -60.9 -42.9 2.3 27.4 36.5 200 206 A V H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 113.2 48.5 -65.0 -32.6 5.9 26.3 37.0 201 207 A C H >< S+ 0 0 0 -4,-1.9 3,-2.4 -5,-0.2 4,-0.3 0.436 76.2 106.2 -88.3 1.5 6.5 26.3 33.3 202 208 A R T XX + 0 0 90 -3,-1.0 3,-1.6 -4,-0.5 4,-0.7 0.798 68.5 68.7 -49.9 -36.4 5.0 29.8 32.5 203 209 A P H 3> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.705 80.6 79.8 -60.2 -15.9 8.5 31.3 31.9 204 210 A L H <>>S+ 0 0 0 -3,-2.4 4,-1.5 1,-0.2 5,-1.1 0.835 91.0 49.6 -61.7 -30.3 8.8 29.2 28.8 205 211 A I H <45S+ 0 0 99 -3,-1.6 -1,-0.2 -4,-0.3 -3,-0.1 0.912 112.7 46.9 -77.1 -34.3 6.6 31.6 26.8 206 212 A T H <5S+ 0 0 109 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 124.8 30.7 -68.3 -42.3 8.7 34.6 28.0 207 213 A H H <5S- 0 0 75 -4,-2.6 -1,-0.2 2,-0.0 -2,-0.2 0.536 105.6-122.7 -96.1 -10.5 12.0 33.0 27.3 208 214 A G T <5 + 0 0 50 -4,-1.5 -3,-0.2 -5,-0.3 2,-0.1 0.911 55.4 147.0 71.8 44.9 11.0 30.8 24.4 209 215 A G < - 0 0 4 -5,-1.1 -30,-0.3 -6,-0.1 2,-0.3 -0.434 44.4-109.3-101.5-177.5 12.0 27.4 25.6 210 216 A V E -q 179 0F 11 -32,-1.6 -30,-1.9 -2,-0.1 2,-0.5 -0.743 18.1-128.8-109.6 161.0 10.3 24.0 24.9 211 217 A Y E -qr 180 240F 2 28,-2.7 30,-2.8 -2,-0.3 2,-0.4 -0.952 28.2-171.7-109.3 121.3 8.4 21.8 27.3 212 218 A A E -qr 181 241F 0 -32,-2.2 -30,-1.5 -2,-0.5 2,-0.4 -0.896 5.9-167.9-115.3 147.4 9.7 18.2 27.3 213 219 A T E -qr 182 242F 4 28,-2.6 30,-2.7 -2,-0.4 2,-0.9 -0.984 37.4-155.5-148.9 139.2 8.0 15.3 29.0 214 220 A H - 0 0 8 -32,-2.4 -29,-0.5 -2,-0.4 -30,-0.5 -0.936 57.8-119.8 -96.2 105.2 8.2 11.7 30.2 215 221 A M - 0 0 0 -2,-0.9 -30,-0.1 28,-0.3 3,-0.1 -0.048 12.6-109.9 -53.0 151.9 4.4 11.3 30.1 216 222 A R S S+ 0 0 70 9,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.807 101.6 5.9 -53.6 -34.2 2.5 10.5 33.3 217 223 A D - 0 0 41 4,-0.2 -1,-0.2 5,-0.1 8,-0.1 -0.987 52.5-171.1-151.0 143.3 1.8 7.0 31.9 218 224 A E S S+ 0 0 7 -2,-0.3 30,-2.2 -3,-0.1 4,-0.1 0.074 75.9 41.6-123.2 24.4 2.9 5.1 28.8 219 225 A G S > S+ 0 0 2 28,-0.2 3,-2.0 32,-0.0 4,-0.3 0.066 118.6 0.2-130.5-117.3 0.7 2.1 29.0 220 226 A E T 3 S+ 0 0 138 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.804 138.5 37.7 -52.0 -35.6 -3.0 1.5 29.9 221 227 A H T 3> S+ 0 0 92 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 -0.075 77.8 117.8-110.7 35.3 -3.5 5.3 30.5 222 228 A I H <> S+ 0 0 0 -3,-2.0 4,-2.5 2,-0.2 5,-0.2 0.823 70.8 59.0 -73.0 -29.2 -1.3 6.7 27.7 223 229 A V H > S+ 0 0 28 -3,-0.3 4,-2.8 -4,-0.3 5,-0.2 0.965 108.4 45.6 -61.7 -49.8 -4.2 8.4 25.9 224 230 A Q H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 112.2 51.8 -59.3 -40.0 -5.0 10.4 29.0 225 231 A A H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.880 110.1 49.4 -66.0 -36.5 -1.3 11.2 29.4 226 232 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.936 110.6 49.2 -67.2 -45.7 -1.1 12.4 25.8 227 233 A E H X S+ 0 0 84 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.904 109.6 52.3 -60.8 -39.7 -4.2 14.6 26.3 228 234 A E H X S+ 0 0 29 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.927 111.0 48.2 -59.9 -44.0 -2.6 16.0 29.4 229 235 A T H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.902 112.6 46.8 -63.4 -43.2 0.6 16.8 27.4 230 236 A F H X S+ 0 0 4 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 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