==== 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 12-FEB-04 1SCW . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR N.R.SILVAGGI,K.KAUR,S.A.ADEDIRAN,R.F.PRATT,J.A.KELLY . 344 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0.3 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 1 1 0 1 2 1 0 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 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 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 3 A L 0 0 114 0, 0.0 341,-0.1 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 153.4 18.2 17.6 40.9 2 4 A P - 0 0 56 0, 0.0 341,-0.2 0, 0.0 3,-0.1 -0.190 360.0 -88.9 -56.6 160.0 21.8 18.1 40.3 3 5 A A - 0 0 75 339,-0.1 341,-0.4 1,-0.1 338,-0.0 -0.487 48.4-103.6 -67.3 138.5 23.0 18.0 36.6 4 6 A P - 0 0 12 0, 0.0 2,-0.8 0, 0.0 336,-0.2 -0.372 32.5-129.1 -58.1 148.6 23.8 14.5 35.4 5 7 A D > - 0 0 19 334,-2.3 4,-2.4 1,-0.2 5,-0.1 -0.845 26.3-179.8-105.5 95.7 27.6 14.0 35.2 6 8 A D H > S+ 0 0 60 -2,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.833 82.8 55.9 -68.8 -33.3 28.6 12.7 31.8 7 9 A T H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 110.1 47.2 -60.6 -43.3 32.3 12.6 32.6 8 10 A G H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 111.3 50.1 -61.9 -44.9 31.4 10.4 35.6 9 11 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.926 108.7 52.7 -60.0 -43.4 29.2 8.2 33.5 10 12 A Q H X S+ 0 0 122 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.916 109.3 49.7 -56.2 -46.2 32.0 7.8 30.9 11 13 A A H X S+ 0 0 45 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.891 108.0 54.0 -63.7 -38.8 34.4 6.7 33.7 12 14 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.942 110.3 45.4 -60.4 -48.6 31.8 4.2 35.0 13 15 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.912 112.5 51.3 -62.0 -42.7 31.5 2.5 31.6 14 16 A H H X S+ 0 0 113 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.917 109.9 49.7 -62.3 -38.6 35.2 2.5 31.1 15 17 A T H X S+ 0 0 40 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.925 107.5 54.5 -63.9 -43.0 35.7 0.9 34.4 16 18 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.7 0.916 108.1 49.3 -58.4 -43.5 33.1 -1.8 33.6 17 19 A L H ><5S+ 0 0 41 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.912 107.2 55.1 -60.8 -42.4 35.0 -2.7 30.4 18 20 A S H 3<5S+ 0 0 92 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.724 107.7 51.4 -63.1 -18.0 38.2 -2.9 32.4 19 21 A Q T <<5S- 0 0 61 -4,-1.1 310,-0.3 -3,-0.7 -1,-0.3 0.380 134.2 -80.0-100.9 -2.8 36.5 -5.4 34.7 20 22 A G T < 5S+ 0 0 32 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.390 81.9 133.9 123.5 -0.8 35.2 -7.7 31.9 21 23 A A < - 0 0 4 -5,-2.3 -1,-0.3 1,-0.2 302,-0.1 -0.667 43.8-152.5 -74.6 127.3 32.1 -6.2 30.4 22 24 A P S S+ 0 0 18 0, 0.0 19,-2.2 0, 0.0 2,-0.3 0.900 81.1 3.6 -61.7 -36.7 32.4 -6.4 26.5 23 25 A G E -A 40 0A 0 17,-0.3 299,-1.8 19,-0.1 2,-0.3 -0.981 63.6-175.8-145.6 155.3 30.1 -3.4 26.3 24 26 A A E +AB 39 321A 0 15,-2.4 15,-2.7 -2,-0.3 2,-0.3 -0.987 10.4 169.9-154.0 144.2 28.4 -1.0 28.7 25 27 A M E -AB 38 320A 0 295,-2.6 295,-2.4 -2,-0.3 2,-0.3 -0.971 11.3-166.1-155.5 162.4 26.0 1.8 28.0 26 28 A V E -AB 37 319A 1 11,-2.7 11,-2.4 -2,-0.3 2,-0.4 -0.989 3.4-165.1-155.7 140.5 23.6 4.3 29.7 27 29 A R E -AB 36 318A 18 291,-2.4 291,-2.2 -2,-0.3 2,-0.4 -0.997 6.5-165.2-127.5 140.7 20.8 6.6 28.8 28 30 A V E -AB 35 317A 0 7,-2.7 7,-2.6 -2,-0.4 2,-0.7 -0.990 9.8-158.2-120.8 129.1 19.4 9.4 31.0 29 31 A D E -AB 34 316A 32 287,-2.7 287,-2.0 -2,-0.4 2,-1.0 -0.943 15.9-172.9-103.5 100.7 16.1 11.1 30.3 30 32 A D E > -AB 33 315A 36 3,-3.0 3,-1.8 -2,-0.7 285,-0.2 -0.764 65.9 -57.8-101.0 81.8 16.5 14.3 32.2 31 33 A N T 3 S- 0 0 114 283,-2.5 -1,-0.1 -2,-1.0 284,-0.1 0.860 119.9 -30.9 50.2 45.6 13.2 16.1 32.0 32 34 A G T 3 S+ 0 0 73 1,-0.2 2,-0.5 282,-0.2 -1,-0.3 0.328 119.5 101.9 100.3 -11.7 13.3 16.1 28.2 33 35 A T E < -A 30 0A 86 -3,-1.8 -3,-3.0 2,-0.0 2,-0.3 -0.956 63.3-142.1-107.2 127.0 17.0 16.4 27.7 34 36 A I E -A 29 0A 80 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.648 15.2-170.3 -93.3 142.2 18.8 13.1 26.8 35 37 A H E +A 28 0A 29 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.4 -0.995 14.7 174.4-119.4 135.7 22.2 11.9 27.9 36 38 A Q E +A 27 0A 109 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.962 5.4 164.1-148.3 127.5 23.5 8.8 26.1 37 39 A L E +A 26 0A 30 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.3 -0.990 3.8 172.8-141.5 148.4 26.9 7.1 26.4 38 40 A S E -A 25 0A 57 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.3 -0.988 6.6-172.2-151.7 148.4 28.2 3.7 25.3 39 41 A E E +A 24 0A 60 -15,-2.7 -15,-2.4 -2,-0.3 2,-0.2 -0.998 49.8 3.4-140.8 142.0 31.6 1.9 25.2 40 42 A G E S-A 23 0A 28 -2,-0.3 10,-2.1 -17,-0.2 2,-0.4 -0.512 87.8 -30.1 90.3-156.7 32.7 -1.4 23.8 41 43 A V B -H 49 0B 36 -19,-2.2 8,-0.3 8,-0.3 3,-0.2 -0.836 15.7-162.1-119.7 141.9 31.0 -4.0 21.8 42 44 A A S S+ 0 0 0 6,-2.5 167,-2.3 -2,-0.4 2,-0.4 0.765 101.4 29.1 -76.8 -33.4 27.6 -5.6 21.4 43 45 A D > - 0 0 24 5,-1.5 4,-1.7 165,-0.1 5,-0.4 -0.977 69.1-166.7-133.9 110.7 29.2 -8.6 19.7 44 46 A R T 4 S+ 0 0 133 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.0 0.691 87.6 51.9 -75.9 -18.3 32.7 -9.4 20.9 45 47 A A T 4 S+ 0 0 92 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.842 120.9 31.2 -83.7 -39.5 33.4 -11.9 18.1 46 48 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.674 101.3-129.9 -89.1 -20.7 32.4 -9.6 15.3 47 49 A G < + 0 0 43 -4,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.535 45.3 163.5 83.6 3.6 33.4 -6.4 17.0 48 50 A R - 0 0 84 -5,-0.4 -6,-2.5 -7,-0.1 -5,-1.5 -0.361 41.0-115.0 -57.1 129.7 30.1 -4.6 16.4 49 51 A A B -H 41 0B 62 -8,-0.3 -8,-0.3 -7,-0.2 2,-0.2 -0.321 22.1-120.1 -68.1 144.7 29.9 -1.6 18.7 50 52 A I - 0 0 3 -10,-2.1 2,-0.3 -28,-0.1 -1,-0.1 -0.529 33.6-175.3 -78.7 148.7 27.3 -1.4 21.4 51 53 A T > - 0 0 49 -2,-0.2 3,-1.8 -12,-0.1 -26,-0.1 -0.969 39.6-109.6-141.0 161.1 24.9 1.5 21.3 52 54 A T T 3 S+ 0 0 10 -2,-0.3 190,-0.6 1,-0.3 191,-0.4 0.560 115.1 60.1 -70.4 -8.6 22.1 2.8 23.5 53 55 A T T 3 S+ 0 0 89 189,-0.1 -1,-0.3 188,-0.1 2,-0.2 0.488 77.7 115.1 -93.5 -3.0 19.5 1.7 20.9 54 56 A D < - 0 0 3 -3,-1.8 188,-0.3 153,-0.1 153,-0.3 -0.435 66.7-126.9 -67.7 132.2 20.4 -2.0 21.1 55 57 A R B +i 207 0C 43 151,-2.6 153,-2.6 -2,-0.2 2,-0.3 -0.370 36.3 171.6 -70.6 158.2 17.7 -4.2 22.5 56 58 A F E -J 240 0D 0 184,-2.2 184,-2.4 151,-0.2 2,-0.6 -0.968 40.8 -87.2-159.7 168.6 18.6 -6.4 25.4 57 59 A R E -J 239 0D 5 -2,-0.3 182,-0.2 182,-0.2 243,-0.1 -0.773 31.0-163.2 -87.4 119.8 17.1 -8.8 28.0 58 60 A V > - 0 0 0 180,-2.0 3,-1.8 -2,-0.6 247,-0.2 0.506 19.8-168.5 -84.6 -4.9 16.0 -6.8 31.0 59 61 A G G > + 0 0 0 179,-0.5 3,-2.8 177,-0.4 179,-0.4 -0.191 66.6 7.9 55.6-136.2 15.9 -9.8 33.4 60 62 A S G > S+ 0 0 11 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.573 106.9 86.9 -67.2 -4.1 14.2 -9.2 36.7 61 63 A V G X> S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.3 4,-1.0 0.823 76.1 76.7 -54.6 -26.9 13.1 -5.7 35.7 62 64 A T H <> S+ 0 0 0 -3,-2.8 4,-2.6 1,-0.3 -1,-0.3 0.807 77.4 70.5 -49.7 -34.0 10.2 -7.9 34.4 63 65 A K H <> S+ 0 0 0 -3,-2.0 4,-2.6 172,-0.5 -1,-0.3 0.863 94.7 53.7 -56.9 -35.9 9.0 -8.1 38.0 64 66 A S H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.4 -1,-0.2 0.871 107.9 49.8 -67.1 -38.3 8.0 -4.4 37.8 65 67 A F H X S+ 0 0 0 -4,-1.0 4,-2.1 -3,-0.2 -2,-0.2 0.940 112.1 48.2 -61.6 -46.2 5.9 -5.1 34.6 66 68 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 168,-0.3 -2,-0.2 0.914 110.8 51.1 -60.1 -42.8 4.2 -8.1 36.4 67 69 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.879 106.7 53.6 -63.7 -41.3 3.5 -6.0 39.4 68 70 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.933 109.2 48.8 -58.5 -46.7 1.9 -3.2 37.3 69 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.957 112.8 47.6 -58.4 -47.8 -0.4 -5.7 35.8 70 72 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.909 110.9 51.2 -61.9 -39.8 -1.4 -7.2 39.2 71 73 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.871 107.0 53.0 -69.1 -33.4 -2.0 -3.7 40.6 72 74 A Q H X S+ 0 0 28 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.889 106.8 53.5 -64.6 -37.1 -4.2 -2.8 37.7 73 75 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 6,-0.7 0.878 106.8 52.0 -63.0 -35.3 -6.2 -6.0 38.5 74 76 A V H ><5S+ 0 0 24 -4,-1.9 3,-1.7 4,-0.2 -2,-0.2 0.947 108.3 51.1 -60.8 -47.9 -6.5 -4.7 42.1 75 77 A D H 3<5S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.850 108.5 51.6 -55.5 -37.4 -7.8 -1.4 40.7 76 78 A E T 3<5S- 0 0 90 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.463 118.0-111.5 -82.8 -3.0 -10.4 -3.3 38.7 77 79 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.685 88.9 111.5 83.7 17.5 -11.6 -5.4 41.7 78 80 A K S - 0 0 89 -2,-0.3 3,-1.5 4,-0.1 20,-0.3 -0.986 13.1-149.0-117.0 121.2 -7.1 -8.4 46.8 81 83 A L T 3 S+ 0 0 5 -2,-0.5 20,-2.8 1,-0.3 21,-0.3 0.747 96.4 50.9 -59.1 -29.0 -3.5 -7.9 48.0 82 84 A D T 3 S+ 0 0 93 18,-0.2 -1,-0.3 17,-0.1 2,-0.2 0.423 88.3 102.0 -97.6 4.7 -4.2 -9.3 51.5 83 85 A A S < S- 0 0 23 -3,-1.5 17,-2.2 1,-0.1 18,-0.2 -0.479 84.2 -93.6 -80.0 154.3 -6.0 -12.5 50.3 84 86 A S B >> -L 99 0E 21 15,-0.2 3,-1.1 -2,-0.2 4,-0.6 -0.366 23.8-131.4 -57.2 138.3 -4.2 -15.8 50.4 85 87 A V H >> S+ 0 0 0 13,-2.8 4,-2.0 1,-0.3 3,-1.6 0.928 110.6 59.3 -54.1 -43.5 -2.5 -16.9 47.1 86 88 A N H 34 S+ 0 0 11 12,-0.5 -1,-0.3 1,-0.3 5,-0.2 0.662 89.3 71.0 -66.3 -14.4 -4.3 -20.2 47.5 87 89 A T H <4 S+ 0 0 95 -3,-1.1 -1,-0.3 9,-0.2 -2,-0.2 0.865 114.1 26.9 -61.6 -37.3 -7.7 -18.4 47.5 88 90 A Y H << S+ 0 0 46 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.736 134.0 34.8 -94.7 -30.2 -7.0 -17.8 43.8 89 91 A L S >< S- 0 0 18 -4,-2.0 3,-2.1 -5,-0.1 4,-0.4 -0.816 90.7-145.7-126.3 76.8 -4.8 -20.8 43.0 90 92 A P T 3 S+ 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.175 75.7 2.6 -59.7 138.8 -6.2 -23.5 45.2 91 93 A G T 3 S+ 0 0 71 -5,-0.2 -5,-0.1 2,-0.1 -4,-0.1 0.555 95.2 119.5 69.4 9.2 -3.6 -26.0 46.6 92 94 A L < + 0 0 12 -3,-2.1 -1,-0.1 -6,-0.1 4,-0.0 0.962 65.5 42.2 -70.0 -51.5 -0.7 -24.1 45.0 93 95 A L S S- 0 0 9 -4,-0.4 -2,-0.1 5,-0.1 5,-0.0 -0.694 77.7-124.2-102.7 155.0 1.4 -23.1 48.1 94 96 A P S S+ 0 0 88 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.622 99.4 48.5 -71.3 -14.1 2.3 -25.2 51.2 95 97 A D > - 0 0 54 1,-0.1 3,-1.5 3,-0.0 -9,-0.2 -0.986 64.5-157.4-133.4 117.6 0.8 -22.5 53.5 96 98 A D T 3 S+ 0 0 107 -2,-0.5 -10,-0.2 1,-0.2 -9,-0.2 0.734 90.7 70.9 -62.6 -20.0 -2.6 -20.9 53.0 97 99 A R T 3 + 0 0 157 -13,-0.1 2,-0.5 -12,-0.1 -1,-0.2 0.613 69.8 106.8 -78.9 -5.3 -1.4 -17.9 55.0 98 100 A I < - 0 0 1 -3,-1.5 -13,-2.8 53,-0.1 -12,-0.5 -0.633 60.3-157.7 -73.7 124.1 0.9 -16.7 52.3 99 101 A T B > -L 84 0E 20 -2,-0.5 4,-2.3 -15,-0.3 -15,-0.2 -0.549 29.1-111.8-104.2 166.3 -0.7 -13.6 50.7 100 102 A V H > S+ 0 0 1 -17,-2.2 4,-2.6 -20,-0.3 -18,-0.2 0.929 118.3 52.6 -59.1 -45.3 -0.5 -11.9 47.4 101 103 A R H > S+ 0 0 34 -20,-2.8 4,-1.1 -18,-0.2 -1,-0.2 0.884 108.2 51.9 -59.1 -42.9 1.2 -8.8 49.0 102 104 A Q H 4>S+ 0 0 23 -21,-0.3 5,-3.0 2,-0.2 6,-0.7 0.907 109.7 47.9 -63.4 -41.6 3.8 -11.1 50.6 103 105 A V H ><5S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.941 110.9 51.6 -62.1 -46.2 4.7 -12.7 47.3 104 106 A M H 3<5S+ 0 0 2 -4,-2.6 177,-2.2 1,-0.3 -1,-0.2 0.722 115.0 42.2 -67.6 -18.9 5.0 -9.3 45.6 105 107 A S T 3<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.214 113.7-111.7-107.8 9.6 7.3 -8.0 48.3 106 108 A H T < 5S+ 0 0 0 -3,-1.4 50,-2.8 -4,-0.3 -3,-0.2 0.859 86.2 117.4 60.5 37.3 9.5 -11.1 48.7 107 109 A R < + 0 0 49 -5,-3.0 45,-2.4 48,-0.2 47,-0.4 0.218 42.0 95.1-113.0 14.1 8.1 -11.8 52.2 108 110 A S S S- 0 0 1 -6,-0.7 41,-0.1 43,-0.2 -5,-0.1 0.646 84.2-130.4 -79.2 -22.5 6.5 -15.1 51.4 109 111 A G + 0 0 1 45,-0.3 39,-2.5 1,-0.3 40,-0.2 0.376 51.7 154.5 80.5 -0.4 9.3 -17.5 52.5 110 112 A L - 0 0 3 37,-0.2 -1,-0.3 38,-0.1 51,-0.2 -0.371 48.9-115.5 -67.3 132.7 9.1 -19.4 49.2 111 113 A Y - 0 0 41 34,-0.3 2,-0.8 31,-0.2 -1,-0.1 -0.388 27.6-115.8 -64.7 137.1 12.4 -21.0 48.4 112 114 A D > - 0 0 13 45,-0.2 3,-2.2 1,-0.2 4,-0.3 -0.681 19.3-156.3 -80.7 111.6 14.0 -19.6 45.2 113 115 A Y G > S+ 0 0 1 -2,-0.8 3,-1.5 1,-0.3 4,-0.5 0.716 90.1 71.9 -57.5 -27.6 14.1 -22.5 42.7 114 116 A T G >> S+ 0 0 19 1,-0.3 4,-2.7 2,-0.2 3,-0.7 0.746 80.5 74.6 -66.7 -19.9 17.0 -20.8 40.9 115 117 A N G <4 S+ 0 0 82 -3,-2.2 4,-0.3 1,-0.2 -1,-0.3 0.835 102.2 40.8 -44.4 -43.3 19.1 -21.8 44.0 116 118 A D G <4 S+ 0 0 90 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.424 117.6 49.4 -93.9 -11.4 19.0 -25.3 42.5 117 119 A M T <4 S+ 0 0 28 -3,-0.7 3,-0.2 -4,-0.5 -2,-0.2 0.852 117.1 27.9 -93.6 -43.4 19.5 -24.2 38.9 118 120 A F S < S+ 0 0 39 -4,-2.7 -2,-0.1 1,-0.2 -3,-0.1 0.100 71.8 112.4-123.2 26.0 22.4 -21.7 38.9 119 121 A A S S+ 0 0 81 -4,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.910 92.7 43.7 -56.8 -42.5 24.8 -22.6 41.7 120 122 A Q S > S- 0 0 130 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 -0.947 91.6-155.3-100.8 112.8 27.1 -23.5 38.9 121 123 A T H > S+ 0 0 16 -2,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.936 81.2 33.3 -61.6 -59.3 26.6 -20.6 36.5 122 124 A V H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.960 120.6 48.5 -71.3 -47.3 27.6 -21.9 33.0 123 125 A P H > S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.919 112.6 51.0 -55.9 -40.5 26.4 -25.6 33.6 124 126 A G H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.908 109.5 49.4 -63.3 -43.1 23.1 -24.2 34.9 125 127 A F H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.2 3,-0.2 0.938 110.9 49.1 -56.8 -46.9 22.7 -21.9 31.9 126 128 A E H < S+ 0 0 139 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.842 110.1 55.4 -64.1 -30.0 23.3 -24.9 29.6 127 129 A S H < S+ 0 0 66 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.893 121.9 22.2 -64.0 -45.8 20.8 -26.8 31.6 128 130 A V H >< S+ 0 0 4 -4,-1.7 3,-2.0 -3,-0.2 102,-0.3 0.522 94.1 92.6-100.4 -21.1 17.9 -24.4 31.2 129 131 A R T 3< S+ 0 0 76 -4,-2.4 99,-2.8 1,-0.3 100,-0.2 0.786 99.4 30.4 -60.6 -30.5 18.6 -22.3 28.1 130 132 A N T 3 S+ 0 0 123 -4,-0.3 2,-0.3 97,-0.2 -1,-0.3 0.100 99.1 107.4-113.1 20.9 16.6 -24.5 25.7 131 133 A K < - 0 0 102 -3,-2.0 2,-0.5 2,-0.0 99,-0.5 -0.734 56.1-148.5 -99.3 151.5 14.0 -25.8 28.1 132 134 A V - 0 0 95 -2,-0.3 2,-0.3 98,-0.1 -2,-0.0 -0.981 20.3-172.6-117.1 118.1 10.3 -24.8 28.3 133 135 A F - 0 0 25 -2,-0.5 2,-0.2 97,-0.0 3,-0.0 -0.852 19.2-132.3-105.1 146.3 8.8 -24.9 31.8 134 136 A S > - 0 0 54 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.532 31.7-110.7 -81.3 162.7 5.2 -24.5 32.8 135 137 A Y H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.926 121.3 53.2 -53.7 -45.9 4.5 -22.1 35.7 136 138 A Q H > S+ 0 0 83 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.860 100.8 60.0 -62.2 -36.3 3.6 -25.1 37.8 137 139 A D H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 107.5 46.0 -56.3 -43.1 6.9 -26.9 37.0 138 140 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.896 111.5 50.8 -69.6 -40.9 8.8 -23.9 38.6 139 141 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.944 108.6 52.6 -59.0 -45.5 6.5 -23.9 41.6 140 142 A T H X S+ 0 0 68 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.891 106.1 54.1 -57.8 -40.6 7.0 -27.6 42.1 141 143 A L H >< S+ 0 0 54 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.2 0.910 109.6 47.0 -60.1 -43.7 10.8 -27.1 42.0 142 144 A S H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 -31,-0.2 0.918 106.2 58.8 -58.8 -44.7 10.6 -24.5 44.8 143 145 A L H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.535 81.8 81.4 -74.6 -0.6 8.3 -26.7 46.9 144 146 A K T << S+ 0 0 154 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.3 0.685 98.3 53.7 -65.5 -17.1 11.0 -29.5 47.0 145 147 A H S < S- 0 0 64 -3,-2.1 -34,-0.3 -4,-0.2 3,-0.1 -0.862 93.6-111.6-116.5 153.0 12.3 -27.2 49.8 146 148 A G - 0 0 60 -2,-0.3 -35,-0.1 1,-0.1 -2,-0.1 -0.274 45.8 -87.1 -71.3 167.0 10.6 -25.8 52.8 147 149 A V - 0 0 64 -37,-0.1 -37,-0.2 1,-0.1 -1,-0.1 -0.344 29.8-138.2 -67.0 161.4 9.9 -22.2 53.2 148 150 A T S S+ 0 0 76 -39,-2.5 2,-0.3 1,-0.2 -1,-0.1 0.521 77.6 5.5-103.0 -7.4 12.7 -20.1 54.6 149 151 A N S S- 0 0 27 -40,-0.2 -1,-0.2 -41,-0.1 3,-0.1 -0.967 88.3 -79.6-164.8 164.8 10.6 -17.9 57.0 150 152 A A S > S- 0 0 58 -2,-0.3 3,-2.3 1,-0.2 4,-0.4 -0.344 70.3 -71.9 -66.3 156.6 7.1 -17.4 58.2 151 153 A P T 3 S- 0 0 17 0, 0.0 -43,-0.2 0, 0.0 -1,-0.2 -0.192 117.0 -4.2 -56.0 127.9 4.6 -15.7 55.9 152 154 A G T 3 S+ 0 0 16 -45,-2.4 -44,-0.2 2,-0.2 -2,-0.1 0.350 104.9 111.3 79.7 -5.5 5.3 -11.9 55.8 153 155 A A S < S+ 0 0 69 -3,-2.3 2,-0.3 -46,-0.3 -45,-0.1 0.654 75.0 13.8 -83.7 -24.1 8.1 -12.2 58.3 154 156 A A S S- 0 0 40 -4,-0.4 2,-0.5 -47,-0.4 -45,-0.3 -0.994 70.5-112.4-150.8 147.1 11.3 -11.6 56.4 155 157 A Y + 0 0 55 -2,-0.3 2,-0.3 116,-0.2 -48,-0.2 -0.733 42.0 158.3 -81.8 127.3 12.5 -10.2 53.1 156 158 A S - 0 0 46 -50,-2.8 -47,-0.2 -2,-0.5 -48,-0.2 -0.836 39.4-127.6-151.1 105.7 14.1 -12.9 51.0 157 159 A Y + 0 0 56 -2,-0.3 2,-0.3 -50,-0.1 -45,-0.2 -0.334 37.6 170.2 -59.7 133.9 14.3 -12.3 47.2 158 160 A S >> - 0 0 0 -55,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.928 38.6-151.5-150.1 125.1 12.8 -15.2 45.3 159 161 A N H >> S+ 0 0 13 -2,-0.3 4,-1.6 1,-0.3 3,-1.1 0.813 95.7 74.6 -57.2 -30.4 11.9 -15.7 41.7 160 162 A T H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.879 88.1 61.3 -53.3 -36.3 9.3 -18.2 42.9 161 163 A N H <> S+ 0 0 0 -3,-1.4 4,-1.6 1,-0.2 -1,-0.3 0.868 105.7 43.9 -58.5 -38.6 7.3 -15.1 44.0 162 164 A F H - 0 0 47 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.414 32.4-115.5 -74.2 156.5 -1.4 -14.9 28.6 177 179 A V H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.892 117.4 58.7 -60.2 -36.8 1.1 -12.7 30.4 178 180 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 106.7 46.7 -56.8 -45.5 2.3 -11.5 26.9 179 181 A T H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.915 113.6 48.3 -61.8 -43.2 -1.2 -10.3 26.1 180 182 A E H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.917 112.7 47.3 -66.4 -44.2 -1.6 -8.5 29.4 181 183 A Y H X>S+ 0 0 0 -4,-3.1 5,-2.6 2,-0.2 4,-1.9 0.916 114.8 47.9 -58.9 -45.6 1.8 -6.8 29.1 182 184 A Q H <>S+ 0 0 80 -4,-2.5 5,-2.9 -5,-0.3 -2,-0.2 0.949 118.7 37.4 -62.9 -48.2 1.1 -5.8 25.6 183 185 A N H <5S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 125.3 36.5 -77.8 -32.6 -2.4 -4.4 26.2 184 186 A R H <5S+ 0 0 38 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.662 136.5 2.5 -92.9 -20.9 -1.8 -2.8 29.6 185 187 A I T X5S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 6,-0.2 0.631 122.0 49.6-133.9 -61.5 1.8 -1.5 29.2 186 188 A F T 4XS+ 0 0 3 -5,-2.6 5,-2.7 1,-0.2 4,-0.3 0.923 116.9 38.9 -65.4 -46.7 3.6 -1.9 25.9 187 189 A T T >4 < + 0 0 6 -5,-2.7 3,-1.9 -6,-0.2 -1,-0.2 -0.545 4.2 173.0 -84.9 79.5 7.1 0.8 23.9 192 194 A T T 3 S+ 0 0 87 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.632 75.6 47.6 -70.4 -13.6 8.3 -0.1 20.3 193 195 A D T 3 S+ 0 0 23 -3,-0.1 2,-0.4 48,-0.1 -1,-0.3 0.256 93.4 99.2-103.0 8.3 11.4 -1.9 21.5 194 196 A T < + 0 0 4 -3,-1.9 2,-0.3 46,-0.1 46,-0.2 -0.852 45.2 162.3-111.8 132.5 9.7 -3.9 24.2 195 197 A F B -K 239 0D 55 44,-2.4 44,-2.8 -2,-0.4 2,-0.4 -0.964 33.6-159.8-143.0 156.1 8.7 -7.6 23.8 196 198 A Y + 0 0 24 -2,-0.3 42,-0.1 42,-0.2 -14,-0.1 -0.901 29.1 157.2-135.2 103.4 7.7 -10.7 25.6 197 199 A V > - 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