==== 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 1RK6 . 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) . 16361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.1 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 . 36 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.4 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 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 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 79 0, 0.0 41,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 152.2 42.6 28.9 3.1 2 8 A F B -a 42 0A 16 39,-2.7 41,-2.4 1,-0.1 25,-0.2 -0.484 360.0-129.7 -74.9 152.1 40.3 26.3 4.7 3 9 A D S S- 0 0 62 23,-2.1 2,-0.3 1,-0.3 24,-0.2 0.894 84.1 -21.4 -68.4 -39.0 41.7 24.4 7.6 4 10 A Y E -B 26 0B 11 22,-1.4 22,-2.8 39,-0.2 2,-0.4 -0.986 54.3-140.7-163.9 161.6 40.7 21.2 5.9 5 11 A I E -Bc 25 45B 0 39,-1.7 41,-2.5 -2,-0.3 2,-1.0 -0.999 14.6-142.5-129.2 130.8 38.5 19.6 3.3 6 12 A L E -Bc 24 46B 0 18,-3.0 18,-1.9 -2,-0.4 2,-0.3 -0.852 41.5-164.5 -89.9 104.2 36.8 16.3 3.7 7 13 A S E + c 0 47B 20 39,-2.6 41,-2.9 -2,-1.0 42,-0.2 -0.751 44.1 12.6-106.9 144.1 37.2 15.2 0.1 8 14 A G S S+ 0 0 38 -2,-0.3 42,-0.6 1,-0.2 -1,-0.2 0.454 89.8 110.4 87.1 1.5 35.7 12.6 -2.2 9 15 A G S S- 0 0 1 13,-0.4 13,-1.9 -3,-0.3 2,-0.5 -0.185 71.7 -92.9 -97.9-168.0 32.8 11.4 -0.2 10 16 A T E -Fg 21 52C 45 41,-2.5 43,-2.5 38,-0.3 2,-0.5 -0.939 33.9-143.1-108.9 123.4 29.0 11.5 -0.3 11 17 A V E -Fg 20 53C 0 9,-3.2 9,-1.9 -2,-0.5 2,-0.7 -0.778 14.3-172.9 -91.9 126.5 27.3 14.4 1.5 12 18 A I - 0 0 6 41,-2.3 7,-0.1 -2,-0.5 -2,-0.0 -0.966 16.9-161.7-113.4 104.5 24.0 13.6 3.2 13 19 A D - 0 0 14 -2,-0.7 402,-2.2 4,-0.2 41,-0.1 0.410 32.0-109.7 -79.1 0.7 23.2 17.2 4.3 14 20 A G S S+ 0 0 0 400,-0.2 387,-0.3 3,-0.2 386,-0.1 0.469 95.2 99.7 87.4 3.0 20.6 16.7 7.0 15 21 A T S S- 0 0 57 2,-0.1 379,-0.1 386,-0.1 399,-0.1 0.287 100.3-102.6-104.6 9.8 17.7 18.1 4.9 16 22 A N S S+ 0 0 65 377,-0.4 378,-0.1 1,-0.3 377,-0.1 0.961 78.0 131.7 66.9 56.1 16.3 14.7 3.9 17 23 A A - 0 0 32 376,-0.2 -1,-0.3 3,-0.0 -3,-0.2 -0.979 66.8 -90.9-133.6 142.4 17.6 14.6 0.4 18 24 A P - 0 0 94 0, 0.0 -5,-0.2 0, 0.0 -7,-0.1 -0.205 56.1 -95.4 -53.2 143.5 19.5 11.8 -1.3 19 25 A G - 0 0 32 -7,-0.1 2,-0.3 -9,-0.1 -7,-0.2 -0.186 40.5-160.8 -60.8 154.0 23.2 12.0 -0.8 20 26 A R E -F 11 0C 107 -9,-1.9 -9,-3.2 -3,-0.1 2,-0.3 -0.987 29.3 -99.3-137.6 147.0 25.4 13.6 -3.5 21 27 A L E +F 10 0C 142 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.502 66.5 134.8 -65.9 121.2 29.1 13.4 -4.2 22 28 A A - 0 0 8 -13,-1.9 -13,-0.4 -2,-0.3 2,-0.2 -0.969 49.5-121.8-167.7 153.3 30.6 16.6 -2.7 23 29 A D E - D 0 35B 24 12,-3.0 12,-2.2 -2,-0.3 2,-0.5 -0.645 20.6-144.5 -95.8 157.1 33.5 17.8 -0.6 24 30 A V E -BD 6 34B 0 -18,-1.9 -18,-3.0 -2,-0.2 2,-0.4 -0.987 11.5-160.2-127.5 122.6 33.1 19.7 2.7 25 31 A G E -BD 5 33B 0 8,-2.8 7,-2.8 -2,-0.5 8,-1.3 -0.857 4.7-162.3-106.4 138.9 35.5 22.5 3.6 26 32 A V E -BD 4 31B 0 -22,-2.8 -23,-2.1 -2,-0.4 -22,-1.4 -0.942 12.1-177.7-122.3 136.9 35.9 23.8 7.1 27 33 A R E > - D 0 30B 139 3,-2.4 3,-2.1 -2,-0.4 2,-0.1 -0.975 68.6 -45.4-131.1 117.5 37.4 27.1 8.4 28 34 A G T 3 S- 0 0 40 -2,-0.4 4,-0.1 1,-0.3 -25,-0.0 -0.405 124.2 -19.3 60.4-128.3 37.6 27.4 12.2 29 35 A D T 3 S+ 0 0 42 -2,-0.1 392,-2.7 425,-0.1 2,-0.3 0.354 122.5 85.6 -93.4 8.6 34.2 26.3 13.7 30 36 A R E < S-DE 27 420B 74 -3,-2.1 -3,-2.4 390,-0.3 2,-0.7 -0.811 78.6-121.2-117.2 150.8 32.3 26.7 10.4 31 37 A I E -D 26 0B 1 388,-3.0 387,-3.2 -2,-0.3 -5,-0.3 -0.759 32.3-173.1 -78.4 117.8 31.5 24.8 7.3 32 38 A A E - 0 0 33 -7,-2.8 2,-0.3 -2,-0.7 -6,-0.2 0.847 57.7 -11.1 -85.5 -35.4 33.0 27.2 4.7 33 39 A A E -D 25 0B 21 -8,-1.3 -8,-2.8 -3,-0.1 2,-0.3 -0.987 50.7-153.3-162.7 159.5 31.8 25.5 1.5 34 40 A V E +D 24 0B 31 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.989 58.1 44.6-142.4 130.6 30.2 22.4 0.1 35 41 A G E S-D 23 0B 20 -12,-2.2 -12,-3.0 -2,-0.3 2,-0.9 -0.990 106.4 -6.3 139.5-150.0 30.6 21.0 -3.4 36 42 A D + 0 0 130 -2,-0.3 3,-0.3 -14,-0.2 -2,-0.1 -0.770 64.6 172.8 -81.2 109.0 33.6 20.5 -5.8 37 43 A L > + 0 0 10 -2,-0.9 3,-1.7 1,-0.2 -1,-0.1 0.095 38.3 116.1-107.9 21.9 36.2 22.2 -3.6 38 44 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.822 77.5 52.5 -58.4 -31.7 39.3 21.3 -5.7 39 45 A A T 3 S+ 0 0 101 -3,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.447 90.4 93.4 -86.4 0.3 39.8 25.0 -6.5 40 46 A S S < S- 0 0 35 -3,-1.7 2,-0.1 -39,-0.0 -3,-0.0 -0.825 79.1-124.3 -96.6 126.7 39.8 26.0 -2.8 41 47 A S + 0 0 83 -2,-0.5 -39,-2.7 2,-0.0 2,-0.3 -0.432 37.8 173.9 -64.6 138.0 43.1 26.2 -1.0 42 48 A A B -a 2 0A 22 -41,-0.2 -39,-0.2 -2,-0.1 3,-0.1 -0.993 39.5-135.1-146.8 146.9 43.1 24.0 2.1 43 49 A R S S+ 0 0 177 -41,-2.4 2,-0.3 -2,-0.3 -39,-0.2 0.756 97.2 19.4 -74.8 -22.8 45.8 23.1 4.6 44 50 A R - 0 0 128 -42,-0.2 -39,-1.7 -41,-0.2 2,-0.5 -0.992 60.1-161.7-146.7 140.0 44.7 19.4 4.5 45 51 A R E -c 5 0B 113 -2,-0.3 2,-0.5 -41,-0.2 -39,-0.2 -0.909 21.4-159.4-125.6 95.8 42.6 17.5 2.0 46 52 A I E -c 6 0B 31 -41,-2.5 -39,-2.6 -2,-0.5 2,-0.5 -0.706 14.0-129.9 -84.7 118.5 41.4 14.4 3.9 47 53 A D E +c 7 0B 118 -2,-0.5 -39,-0.2 -41,-0.2 -41,-0.1 -0.538 36.7 161.4 -73.0 116.4 40.3 11.5 1.7 48 54 A V > + 0 0 3 -41,-2.9 3,-2.2 -2,-0.5 -38,-0.3 -0.091 16.3 158.5-123.4 33.4 36.9 10.1 2.7 49 55 A A T 3 + 0 0 51 1,-0.3 -40,-0.2 -42,-0.2 3,-0.1 -0.298 69.6 22.8 -56.7 139.4 36.1 8.3 -0.6 50 56 A G T 3 S+ 0 0 60 -42,-0.6 379,-0.3 1,-0.3 -1,-0.3 0.344 109.2 101.3 84.5 -6.6 33.4 5.6 0.0 51 57 A K < - 0 0 50 -3,-2.2 -41,-2.5 376,-0.2 2,-0.4 -0.600 68.9-124.9-108.3 166.2 32.2 7.4 3.1 52 58 A V E -gH 10 426C 5 374,-3.2 374,-2.5 -43,-0.2 2,-0.6 -0.911 13.3-154.8-107.2 137.0 29.3 9.7 4.0 53 59 A V E +gH 11 425C 0 -43,-2.5 -41,-2.3 -2,-0.4 372,-0.2 -0.981 29.8 161.1-109.8 120.2 29.8 13.1 5.5 54 60 A S E - H 0 424C 0 370,-2.5 370,-2.4 -2,-0.6 -41,-0.2 -0.774 46.2 -80.7-129.9 172.8 26.7 14.1 7.4 55 61 A P E - H 0 423C 1 0, 0.0 368,-0.3 0, 0.0 360,-0.1 -0.415 62.9 -88.2 -70.2 158.6 25.9 16.6 10.1 56 62 A G - 0 0 2 366,-1.7 2,-0.3 395,-0.1 26,-0.2 -0.355 51.3-101.3 -63.0 147.1 26.9 15.5 13.6 57 63 A F E -l 82 0D 0 24,-2.5 26,-2.7 366,-0.1 27,-1.4 -0.533 28.2-147.1 -77.3 137.0 24.1 13.5 15.3 58 64 A I E -l 84 0D 2 341,-3.0 2,-1.0 -2,-0.3 27,-0.2 -0.907 18.2-129.1-105.1 116.9 22.1 15.4 17.9 59 65 A D E -l 85 0D 0 25,-2.9 27,-2.2 -2,-0.6 3,-0.2 -0.687 13.1-154.2 -84.0 119.1 20.9 13.1 20.7 60 66 A S S S+ 0 0 0 297,-2.0 298,-0.3 -2,-1.0 184,-0.2 0.147 79.4 12.5 -60.1 1.8 17.1 13.5 21.2 61 67 A H S S+ 0 0 0 296,-0.2 299,-2.9 182,-0.1 300,-0.4 -0.377 73.3 163.0 165.7 95.5 17.1 12.5 24.7 62 68 A T - 0 0 0 24,-1.9 27,-0.7 -3,-0.2 26,-0.1 -0.817 35.3-154.7-125.1 165.9 19.9 12.1 27.1 63 69 A H + 0 0 7 298,-0.7 3,-0.3 -2,-0.3 4,-0.3 -0.350 60.5 122.5-125.8 46.6 20.6 11.9 30.8 64 70 A D > + 0 0 1 22,-0.2 4,-2.5 1,-0.2 5,-0.2 0.308 27.0 118.0 -93.7 9.2 24.1 13.2 30.3 65 71 A D T 4 S+ 0 0 1 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.838 89.7 23.8 -42.0 -53.6 23.8 16.1 32.7 66 72 A N T >> S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 3,-1.2 0.778 113.8 66.9 -87.7 -29.8 26.5 14.9 35.1 67 73 A Y H 3> S+ 0 0 30 -4,-0.3 4,-2.9 1,-0.3 7,-0.3 0.871 94.5 61.1 -60.1 -34.9 28.4 12.8 32.6 68 74 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.795 111.5 39.7 -59.8 -30.2 29.4 16.0 30.7 69 75 A L H <4 S+ 0 0 32 -3,-1.2 3,-0.3 -5,-0.2 -2,-0.2 0.838 123.9 35.7 -86.8 -39.5 31.1 17.1 33.9 70 76 A K H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.705 128.2 29.3 -92.0 -22.3 32.7 13.9 35.1 71 77 A H >< + 0 0 60 -4,-2.9 3,-2.3 -5,-0.3 -1,-0.2 -0.625 66.2 175.0-140.0 73.6 33.6 12.2 31.8 72 78 A R T 3 S+ 0 0 74 -3,-0.3 61,-2.5 1,-0.3 62,-0.2 0.682 72.2 71.9 -58.3 -23.5 34.3 15.1 29.5 73 79 A D T 3 S- 0 0 47 59,-0.2 -1,-0.3 60,-0.1 5,-0.2 0.782 82.0-159.1 -61.9 -30.9 35.5 12.7 26.7 74 80 A M X> + 0 0 0 -3,-2.3 4,-2.5 -7,-0.3 3,-1.5 0.813 23.4 168.3 53.0 36.0 31.8 11.7 26.3 75 81 A T H 3> + 0 0 19 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.811 64.4 61.1 -52.2 -41.3 33.0 8.5 24.6 76 82 A P H 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.853 117.7 32.0 -56.8 -31.8 29.6 6.6 24.6 77 83 A K H X4>S+ 0 0 1 -3,-1.5 5,-2.2 2,-0.1 3,-1.8 0.908 117.7 48.3 -92.7 -50.4 28.2 9.4 22.5 78 84 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -3,-0.2 0.849 104.6 62.3 -63.5 -28.2 31.1 10.7 20.3 79 85 A S T 3<5S+ 0 0 0 -4,-2.0 -1,-0.3 -5,-0.3 368,-0.1 0.653 106.2 48.0 -68.5 -14.0 32.0 7.0 19.4 80 86 A Q T < 5S- 0 0 0 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.324 128.2 -96.7-102.1 -2.4 28.5 6.9 17.8 81 87 A G T < 5S+ 0 0 0 -3,-1.6 -24,-2.5 1,-0.3 2,-0.3 0.506 72.0 151.5 96.6 5.8 28.8 10.1 15.9 82 88 A V E < +l 57 0D 0 -5,-2.2 -1,-0.3 -26,-0.2 -24,-0.2 -0.569 14.8 166.9 -76.5 132.5 27.0 12.3 18.5 83 89 A T E + 0 0 0 -26,-2.7 52,-2.8 -2,-0.3 2,-0.3 0.528 65.8 33.9-117.6 -16.3 28.1 16.0 18.5 84 90 A T E -lm 58 135D 0 -27,-1.4 -25,-2.9 50,-0.2 2,-0.4 -0.993 63.9-160.2-142.5 138.3 25.3 17.6 20.6 85 91 A V E -lm 59 136D 0 50,-2.5 52,-2.8 -2,-0.3 2,-0.6 -0.956 12.3-144.7-121.2 140.6 23.3 16.3 23.6 86 92 A V E - m 0 137D 0 -27,-2.2 -24,-1.9 -2,-0.4 -22,-0.2 -0.926 32.5-172.5 -98.9 119.8 19.9 17.5 24.9 87 93 A T E + m 0 138D 0 50,-2.3 52,-1.5 -2,-0.6 -24,-0.1 -0.545 47.5 56.1-110.1 174.4 20.0 17.1 28.7 88 94 A G S S+ 0 0 0 -2,-0.2 3,-0.4 50,-0.2 93,-0.2 0.907 70.8 169.3 73.6 46.8 17.7 17.4 31.7 89 95 A N > + 0 0 1 -27,-0.7 3,-2.2 3,-0.2 -1,-0.2 -0.449 46.7 18.6 -96.4 158.8 15.0 15.0 30.5 90 96 A C T 3 S- 0 0 1 1,-0.3 -1,-0.2 92,-0.2 96,-0.2 0.723 130.3 -59.2 59.9 29.3 11.9 13.4 32.1 91 97 A G T 3 S+ 0 0 0 -3,-0.4 53,-1.6 91,-0.4 52,-0.8 0.410 113.3 119.8 81.5 0.4 11.9 16.0 34.9 92 98 A I < + 0 0 2 -3,-2.2 2,-0.3 51,-0.2 -3,-0.2 -0.862 29.3 154.3-106.1 104.3 15.4 15.0 35.9 93 99 A S - 0 0 0 -2,-0.7 47,-0.1 48,-0.2 16,-0.1 -0.932 46.4-130.4-124.2 154.7 18.1 17.6 35.8 94 100 A L S S+ 0 0 0 -2,-0.3 23,-0.3 1,-0.1 3,-0.2 0.887 78.3 87.5 -69.8 -34.4 21.3 17.8 37.8 95 101 A A + 0 0 0 1,-0.2 46,-0.5 21,-0.1 50,-0.1 -0.864 67.4 29.4-124.6 156.6 20.6 21.4 38.7 96 102 A P S S+ 0 0 2 0, 0.0 22,-0.2 0, 0.0 -1,-0.2 0.379 94.0 93.0 -95.1 121.8 19.3 23.3 40.7 97 103 A L E -O 117 0E 8 20,-2.3 2,-0.7 -3,-0.2 20,-0.6 -0.714 47.1-162.1-172.6 118.7 19.5 21.0 43.7 98 104 A A E +O 116 0E 71 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.924 42.3 138.6-103.8 108.3 22.1 20.7 46.5 99 105 A H - 0 0 75 16,-2.0 16,-0.4 -2,-0.7 14,-0.1 -0.952 47.8-154.1-156.8 131.1 21.3 17.3 48.0 100 106 A A S S+ 0 0 70 -2,-0.3 13,-0.4 1,-0.2 14,-0.1 0.699 98.6 24.8 -78.6 -18.7 23.4 14.4 49.2 101 107 A N S S- 0 0 123 11,-0.1 -1,-0.2 12,-0.1 3,-0.1 -0.484 80.4-169.5-145.5 66.4 20.7 11.7 48.6 102 108 A P - 0 0 9 0, 0.0 5,-0.2 0, 0.0 8,-0.1 -0.252 33.3 -97.3 -60.1 146.8 18.3 12.9 45.9 103 109 A P > - 0 0 40 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.341 59.3 -65.3 -67.4 141.6 15.1 10.9 45.4 104 110 A A T 3 S+ 0 0 26 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 -0.379 119.8 31.9 -60.2 144.9 15.0 8.2 42.6 105 111 A P T > S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.922 110.5 68.1 -88.3 16.2 15.1 8.6 39.6 106 112 A L G X S+ 0 0 0 -3,-2.5 3,-2.1 1,-0.3 4,-0.3 0.810 88.5 72.6 -62.8 -26.6 17.4 11.7 40.2 107 113 A D G > S+ 0 0 27 1,-0.3 3,-0.9 -5,-0.2 -1,-0.3 0.628 74.1 80.6 -62.3 -13.7 20.0 9.2 41.4 108 114 A L G < S+ 0 0 6 -3,-1.9 256,-0.5 1,-0.2 -1,-0.3 0.734 97.6 44.2 -65.6 -18.9 20.5 8.0 37.8 109 115 A L G < S+ 0 0 0 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 0.528 95.4 103.3 -97.2 -7.6 22.7 11.1 37.4 110 116 A D < + 0 0 35 -3,-0.9 3,-0.0 -4,-0.3 -3,-0.0 -0.607 35.0 172.2 -90.6 133.3 24.6 10.8 40.7 111 117 A E S S- 0 0 92 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 0.394 79.9 -60.5-105.9 -2.9 28.2 9.5 41.2 112 118 A G S S+ 0 0 62 -5,-0.0 -11,-0.1 -12,-0.0 -1,-0.1 0.358 121.7 3.7 120.3 103.6 28.1 10.4 44.9 113 119 A G S S+ 0 0 50 -13,-0.4 -13,-0.1 -14,-0.1 -12,-0.1 0.729 85.5 134.6 68.4 23.6 27.6 14.0 46.0 114 120 A S + 0 0 3 1,-0.2 2,-1.9 -14,-0.1 3,-0.2 0.778 47.2 82.4 -76.0 -24.6 27.1 15.1 42.4 115 121 A F + 0 0 6 -16,-0.4 -16,-2.0 1,-0.2 -1,-0.2 -0.593 53.4 126.1 -84.6 83.8 24.1 17.3 43.1 116 122 A R E +O 98 0E 158 -2,-1.9 2,-0.8 -18,-0.2 -18,-0.2 0.283 32.6 104.5-122.0 4.6 26.0 20.3 44.3 117 123 A F E -O 97 0E 5 -20,-0.6 -20,-2.3 -23,-0.3 6,-0.1 -0.813 41.2-175.7 -99.5 107.3 24.6 23.1 42.1 118 124 A A S S+ 0 0 65 -2,-0.8 2,-0.4 -22,-0.2 -1,-0.2 0.763 75.9 34.8 -70.1 -24.6 22.3 25.4 44.0 119 125 A R S >> S- 0 0 148 1,-0.1 4,-1.0 -22,-0.1 3,-0.7 -0.957 78.1-128.4-131.2 145.9 21.5 27.4 40.9 120 126 A F H >> S+ 0 0 9 -2,-0.4 4,-2.1 1,-0.2 3,-0.7 0.896 110.0 61.0 -59.9 -39.0 21.1 26.3 37.3 121 127 A S H 3> S+ 0 0 37 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.809 97.9 59.0 -58.6 -30.1 23.5 29.0 36.2 122 128 A D H 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156 A M < - 0 0 11 -4,-3.1 3,-0.2 -5,-0.3 -1,-0.1 -0.647 47.9-164.8 -90.4 123.9 9.0 20.9 48.5 151 157 A P S S+ 0 0 121 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.824 92.1 34.0 -70.0 -27.2 9.4 19.5 52.0 152 158 A D - 0 0 49 1,-0.1 3,-0.2 -6,-0.1 -5,-0.0 -0.950 63.3-175.5-131.7 112.0 6.9 16.8 51.1 153 159 A L + 0 0 38 -2,-0.4 2,-1.2 -3,-0.2 38,-0.4 0.651 67.0 88.1 -79.2 -17.0 6.7 15.5 47.6 154 160 A R S S+ 0 0 187 36,-0.1 2,-0.3 37,-0.0 -1,-0.2 -0.139 88.2 42.0 -80.2 42.6 3.7 13.3 48.1 155 161 A R S S- 0 0 80 -2,-1.2 36,-0.2 -3,-0.2 2,-0.1 -0.964 97.3 -72.4-169.8 168.8 1.1 16.0 47.3 156 162 A E - 0 0 95 -2,-0.3 2,-0.2 36,-0.1 36,-0.1 -0.406 59.5-102.7 -69.2 150.4 0.3 18.8 44.9 157 163 A A - 0 0 7 1,-0.1 -1,-0.1 -2,-0.1 36,-0.1 -0.499 31.4-123.6 -75.9 148.1 2.5 21.9 45.3 158 164 A T > - 0 0 65 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.322 31.9-100.6 -80.0 169.5 1.0 24.9 47.1 159 165 A A H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 125.3 53.3 -60.5 -40.1 1.0 28.3 45.4 160 166 A D H > S+ 0 0 120 2,-0.2 4,-2.1 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-4,-1.1 -36,-0.1 -3,-0.6 -6,-0.1 0.788 87.7 48.0 -60.6 -25.5 3.4 11.6 40.7 191 197 A H T 3 S+ 0 0 101 -4,-0.4 2,-0.3 -38,-0.4 -1,-0.3 0.384 84.0 114.7 -95.6 4.1 1.4 13.9 42.9 192 198 A A < - 0 0 2 -3,-2.0 -36,-0.1 -36,-0.1 2,-0.1 -0.574 61.5-138.4 -75.0 131.6 1.9 16.9 40.7 193 199 A S > - 0 0 32 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.414 21.4-110.9 -83.1 164.9 -1.3 18.1 39.1 194 200 A T H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.913 120.7 53.0 -61.2 -40.7 -1.6 19.3 35.5 195 201 A E H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.879 105.1 54.1 -63.4 -40.0 -2.2 22.8 36.8 196 202 A E H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 109.9 47.9 -58.7 -47.5 1.0 22.7 38.9 197 203 A I H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.935 111.9 49.5 -60.1 -46.6 3.0 21.7 35.8 198 204 A I H X S+ 0 0 7 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.939 111.4 48.1 -59.5 -48.1 1.4 24.5 33.7 199 205 A E H >< S+ 0 0 56 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.914 112.0 48.3 -62.7 -41.2 2.1 27.2 36.3 200 206 A V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.6 47.8 -65.8 -33.0 5.7 26.2 36.8 201 207 A C H >< S+ 0 0 0 -4,-2.0 3,-2.4 -5,-0.2 4,-0.3 0.482 76.3 106.4 -88.5 -2.9 6.3 26.1 33.1 202 208 A R T XX + 0 0 98 -4,-0.8 3,-1.4 -3,-0.7 4,-0.5 0.798 69.3 67.1 -44.2 -41.9 4.6 29.5 32.2 203 209 A P H 3> S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.641 77.5 84.0 -60.3 -15.2 8.1 31.2 31.6 204 210 A L H <>>S+ 0 0 0 -3,-2.4 5,-2.2 1,-0.2 4,-1.1 0.882 87.7 52.6 -56.7 -37.1 8.7 29.0 28.5 205 211 A I H <45S+ 0 0 86 -3,-1.4 3,-0.5 -4,-0.3 -1,-0.2 0.937 109.3 48.7 -64.9 -44.0 6.7 31.4 26.3 206 212 A T H <5S+ 0 0 116 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.862 120.3 36.5 -62.6 -39.8 8.7 34.4 27.5 207 213 A H H <5S- 0 0 70 -4,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.449 108.1-119.9 -94.1 -3.0 12.1 32.7 26.9 208 214 A G T <5 + 0 0 52 -4,-1.1 -3,-0.2 -3,-0.5 2,-0.1 0.886 61.3 148.8 66.9 39.9 11.1 30.8 23.8 209 215 A G < - 0 0 2 -5,-2.2 -30,-0.3 -6,-0.2 2,-0.3 -0.432 42.3-112.1-101.0 177.7 11.8 27.4 25.3 210 216 A V E -q 179 0F 10 -32,-1.9 -30,-2.1 -2,-0.1 2,-0.6 -0.729 12.5-133.3-110.3 157.5 10.3 23.9 24.8 211 217 A Y E -qr 180 240F 2 28,-2.7 30,-2.3 -2,-0.3 2,-0.4 -0.960 27.1-173.3-108.2 119.5 8.3 21.7 27.1 212 218 A A E -qr 181 241F 0 -32,-2.3 -30,-2.0 -2,-0.6 2,-0.4 -0.890 5.7-167.8-114.8 146.3 9.6 18.1 27.1 213 219 A T E -qr 182 242F 4 28,-2.4 30,-2.8 -2,-0.4 2,-0.9 -0.979 37.6-156.1-147.8 136.8 7.9 15.2 28.8 214 220 A H E -q 183 0F 7 -32,-2.8 -29,-0.6 -2,-0.4 -30,-0.5 -0.934 57.2-120.6 -92.0 106.5 8.1 11.6 30.0 215 221 A M - 0 0 0 -2,-0.9 -30,-0.2 28,-0.3 3,-0.1 -0.070 13.5-109.6 -55.7 153.7 4.3 11.2 29.9 216 222 A R S S+ 0 0 71 9,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.791 101.2 6.3 -56.0 -32.3 2.4 10.3 33.1 217 223 A D - 0 0 43 4,-0.2 -1,-0.2 5,-0.1 8,-0.1 -0.982 52.6-171.1-150.8 145.2 1.7 6.8 31.8 218 224 A E S S+ 0 0 5 -2,-0.3 30,-2.3 -3,-0.1 -2,-0.0 0.063 76.1 43.8-125.6 21.9 2.8 4.9 28.6 219 225 A G S > S- 0 0 2 28,-0.2 3,-2.1 32,-0.0 4,-0.3 0.109 117.9 -0.9-127.9-118.9 0.6 1.9 28.9 220 226 A E T 3 S+ 0 0 136 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.833 138.2 38.2 -51.0 -38.9 -3.1 1.4 29.7 221 227 A H T 3> S+ 0 0 94 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.045 77.5 119.0-105.9 29.4 -3.7 5.1 30.2 222 228 A I H <> S+ 0 0 0 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 0.842 72.0 57.2 -66.9 -30.3 -1.5 6.4 27.5 223 229 A V H > S+ 0 0 28 -3,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.957 108.9 46.3 -64.9 -43.5 -4.3 8.2 25.7 224 230 A Q H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 113.3 50.0 -63.4 -36.6 -5.1 10.1 28.9 225 231 A A H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -9,-0.2 0.876 110.8 48.8 -70.4 -36.8 -1.4 10.9 29.2 226 232 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.935 111.2 50.2 -65.8 -45.9 -1.2 12.1 25.6 227 233 A E H X S+ 0 0 82 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.889 109.4 51.5 -62.1 -36.7 -4.3 14.3 26.1 228 234 A E H X S+ 0 0 26 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.942 110.8 48.7 -63.4 -44.5 -2.7 15.8 29.3 229 235 A T H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.914 111.4 48.1 -62.2 -43.7 0.4 16.6 27.3 230 236 A F H X S+ 0 0 4 -4,-2.8 4,-2.1 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