==== 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 1RJQ . 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) . 16381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 68.1 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 . 34 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 1 3 1 2 0 1 0 0 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 81 0, 0.0 41,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 139.0 42.5 28.8 3.0 2 8 A F B -a 42 0A 17 39,-2.5 41,-2.3 1,-0.1 42,-0.3 -0.423 360.0-128.6 -72.6 150.6 40.3 26.2 4.7 3 9 A D S S- 0 0 61 23,-2.1 2,-0.3 1,-0.3 24,-0.2 0.894 85.8 -21.9 -65.6 -37.8 41.7 24.4 7.7 4 10 A Y E -B 26 0B 12 22,-1.5 22,-2.7 39,-0.2 2,-0.4 -0.983 56.0-139.3-165.9 160.1 40.8 21.1 5.9 5 11 A I E -Bc 25 45B 0 39,-2.0 41,-2.3 -2,-0.3 2,-1.0 -0.997 11.7-145.1-129.7 132.4 38.5 19.6 3.3 6 12 A L E -Bc 24 46B 0 18,-2.8 18,-2.1 -2,-0.4 2,-0.3 -0.870 40.4-173.0 -93.8 104.2 36.8 16.3 3.6 7 13 A S E + c 0 47B 20 39,-2.2 41,-2.7 -2,-1.0 42,-0.2 -0.770 43.0 20.2-113.6 152.8 37.0 15.2 0.0 8 14 A G S S+ 0 0 40 -2,-0.3 42,-0.6 1,-0.2 -1,-0.2 0.409 90.9 110.9 84.4 -0.1 35.7 12.5 -2.3 9 15 A G S S- 0 0 0 13,-0.3 13,-1.7 -3,-0.2 2,-0.5 -0.209 72.2 -96.9 -96.6-171.5 32.8 11.4 -0.1 10 16 A T E -Fg 21 52C 45 41,-2.6 43,-2.6 38,-0.3 2,-0.5 -0.936 32.9-143.7-108.8 124.3 29.0 11.5 -0.3 11 17 A V E -Fg 20 53C 0 9,-3.2 9,-2.1 -2,-0.5 2,-0.6 -0.764 15.9-174.8 -93.1 128.9 27.3 14.4 1.5 12 18 A I - 0 0 5 41,-2.0 7,-0.1 -2,-0.5 -2,-0.0 -0.946 15.6-163.0-118.0 97.8 23.9 13.7 3.2 13 19 A D - 0 0 13 -2,-0.6 402,-1.8 4,-0.2 41,-0.1 0.417 33.9-111.6 -69.5 -1.9 23.3 17.3 4.3 14 20 A G S S+ 0 0 0 3,-0.2 387,-0.3 400,-0.2 386,-0.1 0.584 92.1 105.8 84.0 9.3 20.6 16.6 6.9 15 21 A T S S- 0 0 58 2,-0.2 379,-0.1 386,-0.1 399,-0.1 0.215 99.0-102.5-103.6 12.4 17.7 18.2 4.9 16 22 A N S S+ 0 0 64 377,-0.4 378,-0.1 1,-0.3 377,-0.1 0.963 79.6 130.5 64.7 55.8 16.3 14.8 4.0 17 23 A A - 0 0 31 376,-0.2 -1,-0.3 3,-0.0 -3,-0.2 -0.988 67.7 -86.4-136.0 143.8 17.5 14.7 0.4 18 24 A P - 0 0 94 0, 0.0 -5,-0.2 0, 0.0 -7,-0.1 -0.126 56.2 -98.5 -48.8 142.0 19.4 11.9 -1.3 19 25 A G - 0 0 32 -7,-0.1 2,-0.3 -9,-0.1 -7,-0.2 -0.245 39.9-161.0 -63.8 153.0 23.2 12.1 -0.8 20 26 A R E -F 11 0C 106 -9,-2.1 -9,-3.2 -3,-0.1 2,-0.4 -0.980 28.4 -99.0-137.0 148.7 25.4 13.7 -3.4 21 27 A L E +F 10 0C 142 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.533 66.5 131.8 -68.4 121.0 29.1 13.5 -4.2 22 28 A A - 0 0 8 -13,-1.7 -13,-0.3 -2,-0.4 2,-0.2 -0.973 50.5-119.9-166.8 154.9 30.7 16.6 -2.7 23 29 A D E - D 0 35B 21 12,-2.8 12,-2.2 -2,-0.3 2,-0.5 -0.618 21.7-141.2 -97.1 161.5 33.6 17.8 -0.6 24 30 A V E -BD 6 34B 0 -18,-2.1 -18,-2.8 -2,-0.2 2,-0.4 -0.973 12.3-159.0-128.7 118.8 33.1 19.7 2.7 25 31 A G E -BD 5 33B 0 8,-2.7 7,-2.6 -2,-0.5 8,-1.2 -0.801 5.6-164.8-101.3 137.7 35.4 22.6 3.6 26 32 A V E +BD 4 31B 0 -22,-2.7 -23,-2.1 -2,-0.4 -22,-1.5 -0.959 11.9 178.8-123.8 137.2 36.0 23.8 7.1 27 33 A R E > - D 0 30B 119 3,-2.2 3,-1.8 -2,-0.4 2,-0.2 -0.968 68.8 -41.3-134.7 115.5 37.5 27.0 8.4 28 34 A G T 3 S- 0 0 42 -2,-0.4 4,-0.1 1,-0.2 -25,-0.0 -0.475 124.1 -23.0 66.2-130.6 37.6 27.5 12.2 29 35 A D T 3 S+ 0 0 37 -2,-0.2 392,-2.5 425,-0.1 2,-0.3 0.250 122.0 87.0 -98.3 14.2 34.3 26.3 13.6 30 36 A R E < S-DE 27 420B 73 -3,-1.8 -3,-2.2 390,-0.3 2,-0.8 -0.823 79.3-120.0-119.7 153.4 32.4 26.8 10.4 31 37 A I E -D 26 0B 1 388,-2.8 387,-3.1 385,-0.3 -5,-0.3 -0.803 32.1-171.5 -83.6 114.2 31.5 24.8 7.3 32 38 A A E - 0 0 27 -7,-2.6 2,-0.3 -2,-0.8 -6,-0.2 0.860 57.8 -13.5 -79.7 -37.4 33.1 27.1 4.7 33 39 A A E -D 25 0B 22 -8,-1.2 -8,-2.7 -3,-0.1 2,-0.4 -0.992 50.5-150.6-162.1 161.4 31.8 25.4 1.6 34 40 A V E +D 24 0B 32 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.998 59.1 40.5-140.4 134.5 30.2 22.3 0.1 35 41 A G E S-D 23 0B 19 -12,-2.2 -12,-2.8 -2,-0.4 2,-1.0 -0.951 106.6 -2.3 131.8-153.0 30.6 20.9 -3.4 36 42 A D + 0 0 131 -2,-0.3 3,-0.3 -14,-0.2 -2,-0.1 -0.672 63.9 169.5 -76.2 107.1 33.5 20.5 -5.7 37 43 A L > + 0 0 10 -2,-1.0 3,-1.7 1,-0.2 -1,-0.2 0.105 37.8 114.2-108.7 22.0 36.2 22.1 -3.6 38 44 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -15,-0.0 -2,-0.0 0.817 79.0 53.1 -59.8 -30.4 39.3 21.1 -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 90.9 93.6 -86.0 -0.6 39.8 24.8 -6.5 40 46 A S S < S- 0 0 34 -3,-1.7 2,-0.1 -39,-0.0 -3,-0.0 -0.819 78.4-124.8 -97.0 127.4 39.8 25.9 -2.9 41 47 A S + 0 0 82 -2,-0.5 -39,-2.5 2,-0.0 2,-0.3 -0.442 37.3 173.0 -67.4 140.7 43.1 26.1 -1.0 42 48 A A B -a 2 0A 21 -41,-0.3 -39,-0.2 -2,-0.1 3,-0.1 -0.990 40.4-135.0-149.9 145.4 43.2 24.0 2.1 43 49 A R S S+ 0 0 183 -41,-2.3 2,-0.3 -2,-0.3 -39,-0.2 0.722 97.6 21.0 -73.4 -20.8 45.9 23.1 4.6 44 50 A R - 0 0 131 -42,-0.3 -39,-2.0 -41,-0.0 2,-0.6 -0.989 59.7-161.8-149.9 137.7 44.7 19.5 4.5 45 51 A R E -c 5 0B 114 -2,-0.3 2,-0.6 -41,-0.2 -39,-0.2 -0.887 19.6-160.9-122.9 95.7 42.6 17.4 2.1 46 52 A I E -c 6 0B 30 -41,-2.3 -39,-2.2 -2,-0.6 2,-0.5 -0.690 13.8-133.5 -84.0 117.2 41.3 14.4 3.9 47 53 A D E +c 7 0B 114 -2,-0.6 -39,-0.2 -41,-0.2 -41,-0.1 -0.564 34.0 163.5 -74.5 119.1 40.2 11.5 1.7 48 54 A V > + 0 0 0 -41,-2.7 3,-2.2 -2,-0.5 -38,-0.3 -0.127 16.3 162.6-125.1 34.5 36.9 10.1 2.7 49 55 A A T 3 + 0 0 50 1,-0.3 -40,-0.2 -42,-0.2 3,-0.1 -0.285 69.6 20.6 -56.8 135.8 36.1 8.2 -0.5 50 56 A G T 3 S+ 0 0 58 -42,-0.6 379,-0.3 1,-0.3 -1,-0.3 0.437 109.0 105.2 83.4 -1.1 33.4 5.6 0.1 51 57 A K < - 0 0 48 -3,-2.2 -41,-2.6 376,-0.2 2,-0.4 -0.635 67.6-126.4-109.0 166.9 32.2 7.4 3.2 52 58 A V E -gH 10 426C 5 374,-3.2 374,-2.2 -2,-0.2 2,-0.6 -0.918 13.5-154.6-111.4 137.7 29.2 9.7 4.0 53 59 A V E +gH 11 425C 1 -43,-2.6 -41,-2.0 -2,-0.4 372,-0.2 -0.976 29.7 160.7-112.2 117.9 29.8 13.1 5.5 54 60 A S E - H 0 424C 0 370,-2.5 370,-2.5 -2,-0.6 -41,-0.2 -0.793 45.6 -80.0-130.7 172.9 26.8 14.2 7.5 55 61 A P E - H 0 423C 2 0, 0.0 368,-0.3 0, 0.0 -1,-0.1 -0.347 63.3 -87.0 -69.0 161.9 25.9 16.7 10.2 56 62 A G - 0 0 1 366,-1.7 2,-0.3 358,-0.1 26,-0.2 -0.396 50.9-103.3 -66.7 146.9 26.9 15.6 13.7 57 63 A F E -l 82 0D 0 24,-2.5 26,-2.8 -3,-0.1 27,-1.4 -0.551 28.7-147.4 -76.9 135.1 24.2 13.5 15.4 58 64 A I E -l 84 0D 2 341,-2.8 2,-1.1 -2,-0.3 27,-0.2 -0.906 8.2-142.4-105.4 113.1 22.1 15.4 17.9 59 65 A D E -l 85 0D 0 25,-2.7 27,-2.1 -2,-0.7 3,-0.3 -0.639 14.4-169.0 -78.4 101.7 21.0 13.2 20.8 60 66 A S S S+ 0 0 0 297,-1.5 2,-0.3 -2,-1.1 298,-0.2 0.642 74.8 40.1 -66.3 -17.3 17.5 14.5 21.5 61 67 A H S S+ 0 0 0 296,-0.2 299,-3.3 215,-0.1 300,-0.4 -0.721 74.4 144.5-140.2 91.8 17.1 12.6 24.7 62 68 A T - 0 0 0 24,-2.0 27,-0.7 -2,-0.3 300,-0.1 -0.766 42.4-155.7-122.2 168.1 20.0 12.2 27.1 63 69 A H + 0 0 11 298,-0.6 3,-0.3 -2,-0.3 4,-0.3 -0.390 59.0 124.1-131.5 45.4 20.6 12.0 30.8 64 70 A D > + 0 0 1 22,-0.2 4,-2.6 1,-0.2 5,-0.2 0.290 26.9 118.5 -92.3 7.0 24.2 13.3 30.3 65 71 A D T 4 S+ 0 0 1 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.875 89.5 22.5 -35.8 -62.3 23.8 16.2 32.7 66 72 A N T >> S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 3,-0.9 0.772 114.5 67.2 -83.1 -29.5 26.5 15.1 35.1 67 73 A Y H 3> S+ 0 0 30 -4,-0.3 4,-2.7 1,-0.3 7,-0.3 0.866 93.8 61.4 -61.2 -34.7 28.4 12.8 32.7 68 74 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.823 111.4 39.5 -59.2 -32.5 29.4 16.0 30.8 69 75 A L H <4 S+ 0 0 34 -3,-0.9 3,-0.4 -4,-0.3 -2,-0.2 0.866 122.6 37.5 -84.7 -42.8 31.2 17.2 33.9 70 76 A K H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.711 129.5 27.7 -85.7 -22.1 32.7 13.9 35.2 71 77 A H >< + 0 0 65 -4,-2.7 3,-2.3 -5,-0.3 -1,-0.2 -0.580 65.7 174.8-141.3 72.1 33.7 12.4 31.8 72 78 A R T 3 S+ 0 0 76 -3,-0.4 61,-2.6 1,-0.3 62,-0.2 0.671 73.6 72.1 -54.3 -22.4 34.3 15.2 29.4 73 79 A D T 3 S- 0 0 47 59,-0.2 -1,-0.3 60,-0.1 5,-0.2 0.820 80.9-161.8 -64.4 -30.7 35.4 12.8 26.7 74 80 A M X> + 0 0 0 -3,-2.3 4,-2.6 -7,-0.3 3,-1.4 0.836 22.2 167.3 50.1 38.6 31.8 11.7 26.4 75 81 A T H 3> + 0 0 19 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.827 64.0 63.4 -52.9 -40.7 33.0 8.6 24.6 76 82 A P H 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.852 117.3 30.6 -55.2 -32.3 29.7 6.7 24.8 77 83 A K H X4>S+ 0 0 1 -3,-1.4 5,-2.2 2,-0.1 3,-1.6 0.891 117.8 49.2 -94.8 -48.2 28.2 9.4 22.6 78 84 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 -3,-0.2 0.829 103.8 63.4 -64.8 -26.6 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 0.688 105.4 47.3 -68.5 -15.6 31.9 7.1 19.4 80 86 A Q T < 5S- 0 0 0 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.410 128.1 -97.0-101.3 -4.4 28.5 6.9 17.8 81 87 A G T < 5S+ 0 0 0 -3,-1.2 -24,-2.5 -4,-0.4 2,-0.3 0.521 71.6 151.7 100.3 6.6 28.8 10.2 16.0 82 88 A V E < +l 57 0D 0 -5,-2.2 -1,-0.3 -26,-0.2 -24,-0.2 -0.567 15.2 168.0 -76.0 131.8 27.0 12.4 18.5 83 89 A T E + 0 0 0 -26,-2.8 52,-2.9 -2,-0.3 2,-0.3 0.511 65.9 34.7-118.0 -13.7 28.1 16.0 18.5 84 90 A T E -lm 58 135D 0 -27,-1.4 -25,-2.7 50,-0.2 2,-0.4 -0.997 63.6-161.1-145.1 137.9 25.3 17.6 20.6 85 91 A V E -lm 59 136D 0 50,-2.4 52,-2.7 -2,-0.3 2,-0.6 -0.959 12.5-145.1-123.8 140.9 23.3 16.3 23.6 86 92 A V E - m 0 137D 0 -27,-2.1 -24,-2.0 -2,-0.4 52,-0.2 -0.922 31.9-170.2-101.6 118.2 20.0 17.6 25.0 87 93 A T E + m 0 138D 0 50,-2.0 52,-1.3 -2,-0.6 -24,-0.1 -0.499 48.6 52.0-107.0 175.3 20.1 17.2 28.8 88 94 A G S S+ 0 0 0 4,-0.2 3,-0.4 50,-0.2 5,-0.2 0.941 71.0 167.7 66.8 52.3 17.8 17.4 31.8 89 95 A N > + 0 0 1 -27,-0.7 3,-2.2 3,-0.4 -1,-0.2 -0.531 48.0 22.3 -98.3 162.4 15.0 15.1 30.5 90 96 A C T 3 S- 0 0 1 1,-0.3 -1,-0.2 92,-0.2 96,-0.2 0.743 131.3 -60.8 57.4 28.8 12.0 13.5 32.1 91 97 A G T 3 S+ 0 0 0 -3,-0.4 53,-1.5 91,-0.4 52,-0.8 0.474 112.5 121.8 79.5 3.4 12.0 16.1 34.9 92 98 A I < + 0 0 2 -3,-2.2 -3,-0.4 51,-0.2 2,-0.3 -0.849 28.6 153.7-106.0 101.8 15.5 15.0 35.9 93 99 A S - 0 0 0 -2,-0.7 47,-0.1 -5,-0.2 16,-0.1 -0.939 46.7-131.5-124.8 149.3 18.2 17.7 35.8 94 100 A L S S+ 0 0 0 -2,-0.3 23,-0.3 1,-0.1 3,-0.2 0.891 77.7 89.7 -64.9 -37.2 21.4 17.9 37.8 95 101 A A + 0 0 0 1,-0.2 46,-0.6 21,-0.1 50,-0.1 -0.856 66.5 28.3-122.7 157.4 20.6 21.5 38.7 96 102 A P S S+ 0 0 3 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.319 93.4 96.3 -95.0 122.7 19.4 23.4 40.6 97 103 A L E -O 117 0E 8 20,-2.5 2,-0.8 -3,-0.2 20,-0.6 -0.747 45.4-163.4-171.6 119.5 19.7 21.1 43.7 98 104 A A E +O 116 0E 72 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.910 42.9 136.0-105.3 104.3 22.1 20.8 46.6 99 105 A H - 0 0 76 16,-1.8 16,-0.4 -2,-0.8 14,-0.1 -0.953 47.2-154.9-154.8 131.4 21.3 17.4 48.0 100 106 A A S S+ 0 0 69 -2,-0.3 13,-0.4 1,-0.2 14,-0.1 0.671 98.5 25.9 -80.5 -17.5 23.5 14.5 49.2 101 107 A N S S- 0 0 127 11,-0.1 -1,-0.2 12,-0.1 6,-0.1 -0.431 80.2-170.4-144.9 64.9 20.8 11.9 48.7 102 108 A P - 0 0 9 0, 0.0 5,-0.2 0, 0.0 8,-0.1 -0.229 32.9 -99.6 -58.3 144.7 18.4 13.0 45.9 103 109 A P > - 0 0 41 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.353 59.0 -63.6 -67.7 142.0 15.2 10.9 45.5 104 110 A A T 3 S+ 0 0 25 1,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.338 119.6 31.7 -60.6 147.6 15.1 8.3 42.6 105 111 A P T > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.930 112.1 67.3 -86.6 16.7 15.2 8.6 39.7 106 112 A L G X S+ 0 0 0 -3,-2.2 3,-1.9 1,-0.3 4,-0.4 0.814 88.8 71.7 -64.2 -25.5 17.4 11.7 40.2 107 113 A D G > S+ 0 0 26 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.651 75.6 80.8 -64.6 -13.1 20.0 9.2 41.5 108 114 A L G < S+ 0 0 6 -3,-1.7 256,-0.4 1,-0.2 -1,-0.3 0.736 98.0 42.2 -65.0 -20.0 20.5 8.0 37.9 109 115 A L G < S+ 0 0 1 -3,-1.9 -1,-0.2 -4,-0.2 2,-0.2 0.561 95.2 104.7 -99.1 -13.8 22.7 11.1 37.5 110 116 A D < + 0 0 32 -3,-0.5 -3,-0.0 -4,-0.4 -16,-0.0 -0.473 34.7 171.9 -78.1 138.7 24.6 10.9 40.8 111 117 A E S S- 0 0 89 -2,-0.2 -1,-0.1 -45,-0.0 -4,-0.0 0.264 79.1 -57.9-119.8 2.6 28.1 9.6 41.1 112 118 A G S S- 0 0 63 -5,-0.1 -11,-0.1 -12,-0.0 -12,-0.1 0.476 121.4 -0.6 116.5 98.7 28.2 10.6 44.8 113 119 A G S S+ 0 0 45 -13,-0.4 -13,-0.1 -14,-0.1 -12,-0.1 0.740 85.7 136.9 69.1 22.5 27.6 14.1 46.0 114 120 A S + 0 0 2 1,-0.2 2,-1.9 -14,-0.1 3,-0.2 0.796 47.7 81.6 -71.5 -29.8 27.1 15.2 42.4 115 121 A F + 0 0 5 -16,-0.4 -16,-1.8 1,-0.2 -1,-0.2 -0.571 53.3 125.2 -79.6 84.4 24.1 17.4 43.2 116 122 A R E +O 98 0E 155 -2,-1.9 2,-0.8 -18,-0.2 -18,-0.2 0.292 33.3 105.9-123.1 4.9 26.1 20.4 44.3 117 123 A F E -O 97 0E 5 -20,-0.6 -20,-2.5 -23,-0.3 6,-0.1 -0.798 40.0-177.9 -96.8 107.9 24.7 23.2 42.1 118 124 A A S S+ 0 0 62 -2,-0.8 2,-0.4 -22,-0.2 -1,-0.2 0.795 75.5 37.6 -70.6 -30.4 22.4 25.5 44.0 119 125 A R S >> S- 0 0 150 1,-0.1 4,-1.1 -22,-0.1 3,-0.7 -0.942 77.6-131.2-124.3 145.8 21.7 27.6 40.9 120 126 A F H 3> S+ 0 0 8 -2,-0.4 4,-2.1 1,-0.3 3,-0.4 0.874 109.6 60.5 -61.4 -36.0 21.2 26.4 37.4 121 127 A S H 3> S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.825 97.8 58.3 -61.4 -31.1 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115.7 -92.8 2.3 1.4 13.9 42.9 192 198 A A < - 0 0 2 -3,-1.7 -36,-0.1 -36,-0.1 2,-0.1 -0.577 60.9-138.3 -74.6 130.0 2.0 16.9 40.7 193 199 A S > - 0 0 30 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.384 20.7-111.8 -82.7 166.2 -1.2 18.2 39.1 194 200 A T H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.897 119.8 52.6 -65.0 -38.5 -1.5 19.3 35.6 195 201 A E H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.883 105.2 54.5 -64.9 -38.3 -2.1 22.9 36.8 196 202 A E H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.942 109.7 47.7 -58.6 -48.3 1.0 22.8 38.9 197 203 A I H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.905 111.4 50.9 -59.3 -43.7 3.1 21.8 35.9 198 204 A I H X S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.942 111.1 46.7 -61.6 -48.7 1.5 24.6 33.8 199 205 A E H >< S+ 0 0 72 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.889 112.4 49.7 -62.5 -41.1 2.2 27.3 36.4 200 206 A V H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 114.0 46.8 -66.5 -33.6 5.8 26.2 36.9 201 207 A C H >< S+ 0 0 0 -4,-1.9 3,-2.2 -5,-0.2 4,-0.3 0.420 77.6 106.3 -89.6 1.9 6.3 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