==== 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 30-JUN-03 1PW1 . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR N.R.SILVAGGI,H.R.JOSEPHINE,R.F.PRATT,J.A.KELLY . 345 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 16.8 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 . 4 1.2 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 . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 26.7 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 2 1 0 1 2 1 0 0 1 0 2 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 0 1 2 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 0 113 0, 0.0 341,-0.1 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 153.3 18.0 17.6 40.8 2 4 A P - 0 0 57 0, 0.0 341,-0.2 0, 0.0 3,-0.1 -0.169 360.0 -85.9 -57.2 161.5 21.7 18.2 40.2 3 5 A A - 0 0 75 339,-0.1 341,-0.5 1,-0.1 338,-0.0 -0.508 49.2-104.3 -66.9 137.1 22.9 18.0 36.5 4 6 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 336,-0.2 -0.353 32.1-128.1 -56.7 146.0 23.7 14.5 35.4 5 7 A D > + 0 0 13 334,-2.3 4,-2.5 1,-0.2 5,-0.1 -0.839 27.0 179.9-104.1 97.6 27.5 14.0 35.2 6 8 A D H > S+ 0 0 62 -2,-0.8 4,-2.7 2,-0.2 5,-0.2 0.838 83.1 55.0 -70.4 -33.1 28.5 12.6 31.8 7 9 A T H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 110.8 46.9 -63.6 -42.6 32.2 12.4 32.6 8 10 A G H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.923 111.5 50.5 -63.9 -41.2 31.3 10.3 35.6 9 11 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.931 109.3 51.8 -61.4 -42.5 29.0 8.1 33.5 10 12 A Q H X S+ 0 0 121 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.921 109.5 50.3 -59.1 -43.7 31.9 7.7 31.0 11 13 A A H X S+ 0 0 44 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 107.4 53.5 -65.7 -38.7 34.2 6.6 33.8 12 14 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.946 111.3 45.7 -58.8 -49.6 31.7 4.0 35.1 13 15 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 112.5 50.5 -61.5 -43.7 31.4 2.4 31.7 14 16 A H H X S+ 0 0 112 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.921 110.6 49.9 -63.2 -39.8 35.2 2.4 31.2 15 17 A T H X S+ 0 0 41 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.923 108.1 53.4 -62.5 -44.9 35.6 0.8 34.6 16 18 A A H >X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.6 0.927 108.7 49.2 -58.4 -42.9 33.0 -1.9 33.7 17 19 A L H ><5S+ 0 0 44 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.930 108.2 53.5 -61.4 -43.1 34.9 -2.8 30.6 18 20 A S H 3<5S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.759 108.0 52.5 -63.1 -19.6 38.2 -3.0 32.5 19 21 A Q H <<5S- 0 0 62 -4,-1.3 -1,-0.3 -3,-0.6 310,-0.3 0.434 134.5 -80.1 -97.9 -4.4 36.4 -5.5 34.9 20 22 A G T <<5S+ 0 0 33 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.403 82.5 134.1 124.0 2.4 35.2 -7.8 32.1 21 23 A A < - 0 0 4 -5,-2.3 -1,-0.3 1,-0.2 302,-0.1 -0.676 43.8-152.6 -74.8 125.3 32.1 -6.4 30.5 22 24 A P S S+ 0 0 18 0, 0.0 19,-2.2 0, 0.0 2,-0.3 0.906 81.0 3.0 -60.0 -38.2 32.4 -6.6 26.7 23 25 A G E -A 40 0A 0 17,-0.3 299,-1.7 19,-0.1 2,-0.3 -0.980 64.3-175.6-146.6 154.5 30.1 -3.6 26.4 24 26 A A E +AB 39 321A 0 15,-2.4 15,-2.6 -2,-0.3 2,-0.3 -0.988 10.1 170.8-152.3 143.1 28.3 -1.2 28.7 25 27 A M E -AB 38 320A 0 295,-2.6 295,-2.4 -2,-0.3 2,-0.3 -0.978 11.9-163.8-153.6 166.0 25.9 1.7 28.1 26 28 A V E -AB 37 319A 1 11,-2.6 11,-2.4 -2,-0.3 2,-0.4 -0.987 3.1-164.7-155.6 141.2 23.5 4.1 29.7 27 29 A R E -AB 36 318A 21 291,-2.4 291,-2.2 -2,-0.3 2,-0.4 -0.999 6.8-168.6-129.0 131.3 20.7 6.4 28.8 28 30 A V E -AB 35 317A 0 7,-2.8 7,-2.7 -2,-0.4 2,-0.7 -0.969 10.3-160.4-115.8 132.3 19.3 9.3 30.9 29 31 A D E -AB 34 316A 41 287,-2.6 287,-1.9 -2,-0.4 2,-1.0 -0.930 14.5-172.7-106.2 104.1 16.1 11.0 30.1 30 32 A D E > -AB 33 315A 35 3,-2.9 3,-1.3 -2,-0.7 285,-0.2 -0.743 66.6 -56.9-102.1 83.8 16.5 14.3 32.2 31 33 A N T 3 S- 0 0 104 283,-2.4 -1,-0.1 -2,-1.0 284,-0.1 0.887 119.9 -31.6 48.6 45.3 13.1 16.0 31.9 32 34 A G T 3 S+ 0 0 64 1,-0.2 2,-0.5 282,-0.2 -1,-0.3 0.439 119.0 102.4 95.0 -2.4 13.3 16.0 28.1 33 35 A T E < -A 30 0A 85 -3,-1.3 -3,-2.9 2,-0.0 2,-0.3 -0.975 63.5-142.1-111.8 126.3 17.1 16.3 27.6 34 36 A I E -A 29 0A 66 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.689 15.6-169.8 -95.9 139.3 18.7 13.0 26.7 35 37 A H E +A 28 0A 30 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.4 -0.991 14.3 174.9-117.1 136.0 22.1 11.8 27.8 36 38 A Q E +A 27 0A 120 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.970 4.8 164.9-149.2 125.3 23.5 8.7 26.0 37 39 A L E +A 26 0A 31 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.3 -0.990 3.1 171.3-139.7 144.7 26.8 6.9 26.4 38 40 A S E -A 25 0A 55 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.989 6.4-173.8-150.6 149.2 28.2 3.5 25.3 39 41 A E E +A 24 0A 61 -15,-2.6 -15,-2.4 -2,-0.3 2,-0.2 -0.997 48.8 5.2-144.1 142.2 31.6 1.8 25.2 40 42 A G E S-A 23 0A 27 -2,-0.3 10,-2.2 -17,-0.2 2,-0.4 -0.521 87.5 -31.0 90.7-155.9 32.7 -1.5 23.9 41 43 A V B -H 49 0B 37 -19,-2.2 8,-0.3 8,-0.3 3,-0.2 -0.839 16.4-162.9-120.8 141.0 31.1 -4.3 21.9 42 44 A A S S+ 0 0 0 6,-2.5 167,-2.4 -2,-0.4 2,-0.4 0.773 101.3 28.5 -75.4 -37.5 27.6 -5.8 21.4 43 45 A D > - 0 0 24 5,-1.5 4,-1.8 165,-0.1 5,-0.4 -0.968 69.3-167.5-129.5 111.7 29.3 -8.9 19.8 44 46 A R T 4 S+ 0 0 134 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.0 0.656 87.3 52.2 -74.7 -19.8 32.8 -9.6 20.9 45 47 A A T 4 S+ 0 0 94 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.880 120.5 30.9 -84.0 -43.1 33.5 -12.1 18.2 46 48 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.718 102.2-130.0 -84.5 -21.7 32.5 -9.8 15.3 47 49 A G < + 0 0 44 -4,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.491 45.6 163.4 82.3 6.2 33.5 -6.6 17.0 48 50 A R - 0 0 84 -5,-0.4 -6,-2.5 -7,-0.1 -5,-1.5 -0.376 40.8-114.9 -61.9 129.0 30.2 -4.8 16.4 49 51 A A B -H 41 0B 63 -8,-0.3 -8,-0.3 -7,-0.2 2,-0.2 -0.320 21.6-119.7 -67.6 144.7 30.0 -1.8 18.7 50 52 A I - 0 0 4 -10,-2.2 2,-0.3 -28,-0.1 -1,-0.1 -0.527 33.8-176.1 -77.7 149.4 27.3 -1.6 21.4 51 53 A T > - 0 0 50 -2,-0.2 3,-2.2 -12,-0.1 -26,-0.1 -0.980 40.4-108.1-145.0 160.7 24.9 1.3 21.3 52 54 A T T 3 S+ 0 0 12 -2,-0.3 190,-0.7 1,-0.3 191,-0.4 0.581 115.7 60.9 -71.8 -8.0 22.1 2.6 23.4 53 55 A T T 3 S+ 0 0 94 188,-0.1 -1,-0.3 189,-0.1 2,-0.2 0.460 77.3 115.0 -92.3 -2.5 19.5 1.5 20.8 54 56 A D < - 0 0 4 -3,-2.2 188,-0.3 153,-0.1 153,-0.3 -0.468 66.4-127.4 -68.4 132.1 20.5 -2.2 21.1 55 57 A R B +i 207 0C 44 151,-2.3 153,-2.6 -2,-0.2 2,-0.3 -0.401 35.7 171.1 -70.6 157.1 17.8 -4.5 22.5 56 58 A F E -J 240 0D 0 184,-2.3 184,-2.4 151,-0.2 2,-0.5 -0.960 40.0 -87.2-159.5 169.1 18.7 -6.7 25.5 57 59 A R E -J 239 0D 6 -2,-0.3 182,-0.2 182,-0.2 243,-0.2 -0.769 30.5-163.0 -88.9 122.9 17.2 -9.1 28.1 58 60 A V > - 0 0 0 180,-2.2 3,-1.7 -2,-0.5 247,-0.2 0.471 16.8-166.3 -88.8 -4.0 16.1 -7.1 31.2 59 61 A G G > + 0 0 2 177,-0.5 3,-2.5 179,-0.5 179,-0.4 -0.226 69.6 5.2 52.4-135.1 15.8 -10.0 33.7 60 62 A S G > S+ 0 0 16 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.562 109.2 85.8 -69.3 -3.2 14.0 -9.2 36.9 61 63 A V G X> S+ 0 0 0 -3,-1.7 3,-1.6 1,-0.3 4,-0.9 0.834 77.4 75.2 -55.1 -28.5 13.0 -5.8 35.7 62 64 A T H <> S+ 0 0 0 -3,-2.5 4,-2.4 1,-0.3 3,-0.4 0.847 79.5 69.7 -50.3 -33.2 10.2 -8.0 34.3 63 65 A K H <> S+ 0 0 0 -3,-1.8 4,-2.8 172,-0.5 -1,-0.3 0.842 92.5 56.1 -61.6 -31.4 8.7 -8.1 37.8 64 66 A S H <> S+ 0 0 0 -3,-1.6 4,-2.0 -4,-0.4 -1,-0.3 0.886 107.4 49.5 -68.3 -35.2 7.7 -4.5 37.6 65 67 A F H X S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.4 -2,-0.2 0.936 112.6 47.3 -64.3 -45.8 5.8 -5.2 34.4 66 68 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 168,-0.3 -2,-0.2 0.913 111.7 50.7 -61.6 -42.1 4.1 -8.2 36.2 67 69 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.882 106.6 53.9 -65.1 -38.4 3.3 -6.1 39.2 68 70 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.934 109.9 48.2 -60.9 -46.3 1.7 -3.3 37.1 69 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.965 113.3 47.1 -58.7 -48.0 -0.6 -5.8 35.5 70 72 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.898 110.8 51.2 -62.0 -38.9 -1.6 -7.3 38.9 71 73 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.857 107.5 53.3 -72.1 -29.9 -2.2 -3.8 40.5 72 74 A Q H X S+ 0 0 28 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.890 106.9 52.9 -65.8 -37.7 -4.4 -2.9 37.5 73 75 A L H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 6,-0.7 0.867 107.4 51.4 -63.7 -35.8 -6.4 -6.1 38.3 74 76 A V H ><5S+ 0 0 25 -4,-1.8 3,-1.7 4,-0.2 -2,-0.2 0.943 108.6 51.0 -63.5 -47.0 -6.7 -4.9 41.9 75 77 A D H 3<5S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.875 109.5 51.7 -53.3 -38.3 -8.0 -1.6 40.5 76 78 A E T 3<5S- 0 0 88 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.376 116.9-113.5 -81.2 -1.2 -10.6 -3.6 38.5 77 79 A G T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.630 88.0 112.1 82.1 12.0 -11.8 -5.6 41.5 78 80 A K S - 0 0 92 -2,-0.3 3,-1.5 1,-0.1 20,-0.3 -0.979 14.1-147.8-113.6 119.3 -7.4 -8.5 46.6 81 83 A L T 3 S+ 0 0 5 -2,-0.5 20,-2.8 1,-0.3 21,-0.3 0.772 97.0 49.6 -59.3 -28.2 -3.8 -8.1 47.8 82 84 A D T 3 S+ 0 0 94 18,-0.2 -1,-0.3 17,-0.1 2,-0.1 0.460 89.4 101.3 -95.9 2.7 -4.5 -9.5 51.3 83 85 A A S < S- 0 0 21 -3,-1.5 17,-2.4 1,-0.1 18,-0.3 -0.476 83.9 -92.3 -76.5 155.1 -6.4 -12.6 50.1 84 86 A S B >> -L 99 0E 23 15,-0.2 3,-1.2 -2,-0.1 4,-0.6 -0.390 23.4-127.8 -59.7 141.9 -4.6 -16.0 50.0 85 87 A V H >> S+ 0 0 0 13,-2.7 4,-1.9 1,-0.2 3,-1.6 0.907 110.9 60.0 -52.2 -42.9 -2.9 -17.1 46.9 86 88 A N H 34 S+ 0 0 29 12,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.676 88.5 71.7 -68.8 -15.9 -4.9 -20.4 47.1 87 89 A T H <4 S+ 0 0 92 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.858 114.2 26.3 -59.9 -37.9 -8.1 -18.4 46.9 88 90 A Y H << S+ 0 0 38 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.761 133.0 36.2 -97.5 -28.4 -7.2 -17.8 43.2 89 91 A L S >< S- 0 0 19 -4,-1.9 3,-2.0 -5,-0.1 4,-0.3 -0.815 90.8-145.9-127.5 73.7 -5.0 -20.8 42.5 90 92 A P T 3 S+ 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.206 75.9 2.4 -52.7 135.0 -6.7 -23.6 44.5 91 93 A G T 3 S+ 0 0 70 -5,-0.1 -5,-0.1 2,-0.1 -4,-0.1 0.528 93.7 122.4 72.2 7.5 -4.4 -26.2 46.0 92 94 A L < + 0 0 14 -3,-2.0 -1,-0.1 -6,-0.1 4,-0.0 0.959 68.7 36.5 -70.1 -50.4 -1.2 -24.4 44.7 93 95 A L S S- 0 0 7 -4,-0.3 -2,-0.1 1,-0.1 3,-0.0 -0.749 70.9-134.7-105.5 149.5 0.6 -23.9 47.9 94 96 A P S S+ 0 0 106 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.753 99.3 63.3 -70.2 -25.3 0.8 -26.1 51.0 95 97 A D > - 0 0 47 1,-0.1 3,-1.7 2,-0.0 -9,-0.2 -0.869 61.1-173.2-106.0 111.3 0.2 -22.9 53.2 96 98 A D T 3 S+ 0 0 82 -2,-0.7 -9,-0.1 1,-0.3 -1,-0.1 0.522 81.6 75.2 -79.4 0.7 -3.2 -21.4 52.5 97 99 A R T 3 + 0 0 149 -13,-0.1 2,-0.3 -12,-0.1 -1,-0.3 0.605 68.3 100.5 -81.2 -23.3 -1.9 -18.6 54.7 98 100 A I < - 0 0 2 -3,-1.7 -13,-2.7 -14,-0.1 -12,-0.4 -0.568 62.4-154.5 -71.5 130.7 0.5 -17.1 52.1 99 101 A T B > -L 84 0E 19 -2,-0.3 4,-2.2 -15,-0.3 -15,-0.2 -0.556 26.8-110.7-105.3 168.8 -1.1 -14.0 50.6 100 102 A V H > S+ 0 0 0 -17,-2.4 4,-2.6 -20,-0.3 -18,-0.2 0.915 118.3 52.5 -59.7 -44.1 -0.8 -12.1 47.3 101 103 A R H > S+ 0 0 34 -20,-2.8 4,-1.0 -18,-0.3 -1,-0.2 0.894 107.1 53.2 -60.4 -40.0 0.9 -9.1 49.0 102 104 A Q H 4>S+ 0 0 28 -21,-0.3 5,-3.0 1,-0.2 3,-0.5 0.927 110.7 45.8 -64.5 -44.1 3.4 -11.4 50.6 103 105 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.926 111.3 52.7 -61.8 -42.1 4.4 -13.0 47.2 104 106 A M H 3<5S+ 0 0 2 -4,-2.6 177,-1.9 1,-0.3 -1,-0.2 0.675 115.5 40.5 -71.3 -16.3 4.6 -9.6 45.5 105 107 A S T 3<5S- 0 0 2 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.243 113.3-111.2-111.9 12.2 7.0 -8.2 48.2 106 108 A H T < 5S+ 0 0 0 -3,-1.3 50,-2.7 -4,-0.3 -3,-0.2 0.867 85.5 117.9 57.2 39.4 9.2 -11.3 48.7 107 109 A R < + 0 0 51 -5,-3.0 45,-3.6 48,-0.2 46,-0.3 0.045 41.9 95.0-117.4 24.9 7.8 -12.0 52.2 108 110 A S S S- 0 0 1 -6,-0.5 -5,-0.1 48,-0.3 41,-0.1 0.724 81.3-132.5 -86.9 -22.3 6.3 -15.5 51.4 109 111 A G + 0 0 2 1,-0.3 39,-2.6 47,-0.3 40,-0.2 0.371 51.4 151.7 77.0 -0.2 9.1 -17.8 52.5 110 112 A L - 0 0 5 37,-0.2 -1,-0.3 38,-0.1 51,-0.2 -0.407 51.6-110.9 -64.3 132.1 8.8 -19.8 49.3 111 113 A Y - 0 0 42 34,-0.3 2,-1.0 31,-0.2 49,-0.2 -0.334 24.9-119.1 -62.9 139.3 12.1 -21.4 48.4 112 114 A D > - 0 0 13 45,-0.2 3,-2.0 1,-0.2 4,-0.4 -0.716 20.6-161.7 -85.0 102.8 13.9 -20.0 45.3 113 115 A Y T >> S+ 0 0 1 -2,-1.0 4,-1.4 1,-0.3 3,-1.1 0.685 83.8 72.0 -56.7 -24.7 14.2 -23.0 42.9 114 116 A T H 3> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.755 82.6 69.7 -70.7 -19.1 16.9 -21.2 40.9 115 117 A N H <4 S+ 0 0 106 -3,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.752 103.6 44.7 -64.4 -22.3 19.3 -21.7 43.8 116 118 A D H X4 S+ 0 0 70 -3,-1.1 3,-0.7 -4,-0.4 -2,-0.2 0.891 114.2 49.4 -78.7 -40.0 19.2 -25.4 42.8 117 119 A M H 3< S+ 0 0 31 -4,-1.4 3,-0.3 1,-0.2 -2,-0.2 0.860 117.2 35.4 -69.1 -37.6 19.5 -24.6 39.0 118 120 A F T 3< + 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.057 68.4 120.4-117.3 28.0 22.5 -22.3 39.1 119 121 A A S < S+ 0 0 84 -3,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.866 91.2 38.0 -52.3 -37.1 24.8 -23.7 41.9 120 122 A Q S > S- 0 0 127 -3,-0.3 4,-2.1 1,-0.2 5,-0.3 -0.987 90.2-146.7-114.6 120.5 27.3 -24.0 39.0 121 123 A T H > S+ 0 0 20 -2,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.941 87.8 29.0 -61.0 -58.8 26.9 -21.0 36.6 122 124 A V H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.947 121.6 49.8 -75.1 -44.7 27.7 -22.4 33.1 123 125 A P H > S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.919 112.6 49.1 -57.2 -40.8 26.5 -26.0 33.7 124 126 A G H X S+ 0 0 6 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.915 111.3 49.3 -67.8 -40.0 23.2 -24.6 35.1 125 127 A F H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.945 111.0 49.5 -59.3 -47.2 22.8 -22.3 32.1 126 128 A E H < S+ 0 0 139 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.861 110.2 53.9 -61.9 -31.2 23.5 -25.1 29.7 127 129 A S H < S+ 0 0 61 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.903 121.6 24.9 -68.4 -42.6 20.9 -27.2 31.6 128 130 A V H >< S+ 0 0 3 -4,-1.8 3,-2.0 1,-0.1 102,-0.3 0.665 94.4 92.0-100.5 -13.5 18.0 -24.7 31.4 129 131 A R T 3< S+ 0 0 77 -4,-2.4 99,-2.7 1,-0.3 100,-0.2 0.772 99.9 29.7 -63.0 -31.8 18.7 -22.6 28.2 130 132 A N T 3 S+ 0 0 121 -4,-0.4 2,-0.3 97,-0.2 -1,-0.3 0.111 98.9 109.7-112.7 19.7 16.8 -24.8 25.8 131 133 A K < - 0 0 95 -3,-2.0 2,-0.5 2,-0.0 99,-0.4 -0.739 54.4-149.9 -95.9 146.2 14.1 -26.1 28.3 132 134 A V - 0 0 95 -2,-0.3 2,-0.3 98,-0.1 -2,-0.0 -0.973 18.8-173.5-112.6 121.6 10.5 -25.1 28.3 133 135 A F - 0 0 28 -2,-0.5 2,-0.2 97,-0.0 3,-0.0 -0.866 19.9-132.3-109.4 147.4 8.8 -25.2 31.7 134 136 A S > - 0 0 54 -2,-0.3 4,-1.5 1,-0.1 0, 0.0 -0.564 32.0-111.5 -79.8 165.4 5.2 -24.7 32.7 135 137 A Y H > S+ 0 0 18 1,-0.2 4,-2.1 -2,-0.2 3,-0.3 0.948 121.2 53.5 -58.1 -45.0 4.4 -22.4 35.5 136 138 A Q H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.897 101.1 60.1 -63.5 -34.2 3.3 -25.3 37.6 137 139 A D H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 107.2 46.3 -55.7 -45.4 6.7 -27.1 36.9 138 140 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.910 111.4 50.1 -68.9 -40.3 8.6 -24.2 38.5 139 141 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.945 108.8 52.8 -60.3 -43.7 6.2 -24.1 41.6 140 142 A T H X S+ 0 0 74 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.898 106.3 54.0 -60.5 -38.8 6.7 -27.9 42.1 141 143 A L H >< S+ 0 0 48 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.2 0.914 110.2 47.2 -61.7 -41.2 10.5 -27.4 42.0 142 144 A S H >< S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.2 -31,-0.2 0.923 106.5 57.4 -60.8 -46.2 10.2 -24.8 44.8 143 145 A L H 3< S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.572 83.6 80.1 -73.3 -7.1 7.9 -27.0 46.9 144 146 A K T << S+ 0 0 141 -4,-0.7 2,-0.4 -3,-0.7 -1,-0.3 0.716 96.8 57.0 -60.6 -20.6 10.5 -29.8 47.0 145 147 A H S < S- 0 0 62 -3,-2.1 -34,-0.3 -4,-0.2 3,-0.1 -0.875 94.3-116.2-109.6 149.1 11.9 -27.6 49.7 146 148 A G - 0 0 63 -2,-0.4 -35,-0.1 1,-0.1 -2,-0.1 -0.257 47.5 -82.4 -73.4 165.7 10.2 -26.4 52.9 147 149 A V - 0 0 74 1,-0.1 -37,-0.2 -37,-0.1 -1,-0.1 -0.328 31.3-138.0 -62.5 154.7 9.6 -22.7 53.3 148 150 A T S S- 0 0 79 -39,-2.6 2,-0.3 1,-0.2 -1,-0.1 0.584 75.4 -2.6 -94.2 -9.8 12.5 -20.7 54.7 149 151 A N S S- 0 0 36 -40,-0.2 -1,-0.2 -41,-0.1 3,-0.1 -0.948 87.8 -69.6-166.8 170.2 10.5 -18.5 57.1 150 152 A A > - 0 0 64 -2,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.328 64.5 -90.4 -67.4 145.3 7.0 -17.6 58.4 151 153 A P T 3 S+ 0 0 41 0, 0.0 -43,-0.2 0, 0.0 -1,-0.1 -0.442 114.2 12.5 -59.1 137.3 4.8 -15.8 55.9 152 154 A G T 3 S+ 0 0 23 -45,-3.6 -44,-0.1 2,-0.2 -2,-0.1 0.231 101.8 112.8 85.1 -7.6 5.1 -12.1 56.2 153 155 A A S < S- 0 0 66 -3,-2.2 2,-0.3 -46,-0.3 -45,-0.1 0.878 76.3 -10.5 -70.3 -51.7 8.2 -12.6 58.4 154 156 A A S S- 0 0 49 -4,-0.4 2,-0.5 -48,-0.1 -45,-0.2 -0.921 71.1 -93.7-147.7 153.0 11.3 -11.3 56.4 155 157 A Y + 0 0 51 116,-0.4 2,-0.3 -2,-0.3 -48,-0.2 -0.744 49.7 163.9 -71.2 125.3 12.4 -10.1 52.9 156 158 A S - 0 0 43 -50,-2.7 -48,-0.3 -2,-0.5 -47,-0.3 -0.877 34.5-129.8-143.6 109.5 13.8 -13.2 51.1 157 159 A Y + 0 0 63 -2,-0.3 2,-0.3 -50,-0.1 -45,-0.2 -0.313 34.8 167.5 -58.3 136.7 14.1 -12.9 47.4 158 160 A S >> - 0 0 0 -55,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.890 38.0-151.4-151.5 127.3 12.6 -15.8 45.4 159 161 A N H >> S+ 0 0 11 -2,-0.3 4,-1.5 1,-0.3 3,-1.1 0.816 96.8 73.7 -56.1 -31.8 11.8 -16.1 41.7 160 162 A T H 3> S+ 0 0 1 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.851 87.0 63.5 -52.0 -37.1 9.0 -18.5 42.8 161 163 A N H <> S+ 0 0 0 -3,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.874 106.7 40.3 -56.1 -43.4 7.1 -15.4 44.0 162 164 A F H - 0 0 49 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.441 34.4-115.5 -72.7 157.1 -1.3 -15.1 28.3 177 179 A V H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.888 117.1 59.1 -61.7 -34.9 1.1 -12.8 30.1 178 180 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 106.6 46.4 -59.3 -45.1 2.4 -11.7 26.7 179 181 A T H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.922 113.9 48.1 -61.4 -43.1 -1.1 -10.5 25.7 180 182 A E H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.913 112.4 48.2 -67.2 -43.6 -1.6 -8.7 29.1 181 183 A Y H X>S+ 0 0 0 -4,-3.0 5,-2.6 -5,-0.2 4,-1.8 0.936 115.0 47.0 -58.5 -45.7 1.8 -7.0 28.9 182 184 A Q H <>S+ 0 0 81 -4,-2.4 5,-2.8 -5,-0.3 -2,-0.2 0.953 118.4 38.6 -62.1 -48.2 1.1 -5.9 25.3 183 185 A N H <5S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 125.2 35.2 -75.6 -33.8 -2.4 -4.6 25.9 184 186 A R H <5S+ 0 0 40 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.646 137.2 2.3 -95.5 -19.1 -1.9 -3.0 29.3 185 187 A I T X5S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 6,-0.2 0.612 120.9 50.3-134.2 -60.1 1.7 -1.6 28.9 186 188 A F T 4XS+ 0 0 3 -5,-2.6 5,-2.6 1,-0.2 4,-0.4 0.925 116.4 38.8 -64.6 -47.9 3.6 -2.1 25.7 187 189 A T T >4 < + 0 0 6 -5,-2.6 3,-1.8 -6,-0.2 -1,-0.2 -0.554 3.4 173.2 -83.9 79.4 7.3 0.6 23.7 192 194 A T T 3 S+ 0 0 86 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.649 75.1 47.8 -71.0 -12.6 8.4 -0.4 20.1 193 195 A D T 3 S+ 0 0 24 -3,-0.1 2,-0.4 48,-0.1 -1,-0.3 0.229 92.8 98.5-104.2 7.5 11.6 -2.1 21.4 194 196 A T < + 0 0 4 -3,-1.8 2,-0.3 46,-0.1 46,-0.2 -0.879 46.0 163.2-111.9 133.1 9.8 -4.2 24.1 195 197 A F B -K 239 0D 55 44,-2.3 44,-2.8 -2,-0.4 2,-0.4 -0.962 33.7-160.0-145.0 154.2 8.8 -7.8 23.7 196 198 A Y + 0 0 25 -2,-0.3 42,-0.1 42,-0.2 -14,-0.1 -0.917 29.3 157.0-134.9 103.2 7.8 -11.0 25.6 197 199 A V > - 0 0 40 40,-0.4 3,-2.6 -2,-0.4 5,-0.1 0.294 26.1-171.2-115.0 2.1 8.5 -13.8 23.1 198 200 A H T 3 + 0 0 43 1,-0.4 -20,-0.1 39,-0.2 3,-0.1 -0.137 68.1 20.2 -44.6 135.8 8.8 -16.8 25.5 199 201 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.4 0, 0.0 31,-0.1 -0.932 101.0 102.3 -94.0 20.2 9.8 -19.6 24.7 200 202 A D < - 0 0 82 -3,-2.6 -3,-0.2 1,-0.1 27,-0.2 -0.337 55.6-155.5 -60.9 144.8 11.4 -18.2 21.5 201 203 A T + 0 0 49 25,-0.1 26,-0.4 -3,-0.1 2,-0.3 0.540 62.0 98.3 -99.2 -10.2 15.2 -17.8 21.8 202 204 A V - 0 0 67 24,-0.1 -5,-0.1 -5,-0.1 -2,-0.0 -0.586 65.7-142.0 -81.9 138.1 15.6 -15.1 19.2 203 205 A I - 0 0 2 -2,-0.3 4,-0.1 2,-0.1 2,-0.1 -0.901 30.3-122.1 -95.4 116.4 16.0 -11.5 20.3 204 206 A P - 0 0 35 0, 0.0 -149,-0.1 0, 0.0 -9,-0.0 -0.356 67.7 -10.6 -63.2 138.1 14.1 -9.4 17.6 205 207 A G S S- 0 0 49 -2,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.067 114.8 -14.3 75.1-174.8 16.0 -6.8 15.8 206 208 A T S S+ 0 0 98 -153,-0.1 -151,-2.3 -152,-0.0 2,-0.3 -0.422 78.5 165.8 -67.4 129.5 19.5 -5.4 16.5 207 209 A H B -i 55 0C 29 -153,-0.3 2,-0.4 -2,-0.2 -151,-0.2 -0.936 41.8-102.9-143.3 158.2 20.6 -6.5 20.0 208 210 A A - 0 0 0 -153,-2.6 2,-0.2 -2,-0.3 -151,-0.2 -0.736 39.3-129.3 -75.9 133.3 23.5 -6.8 22.4 209 211 A N - 0 0 17 -167,-2.4 2,-0.4 -2,-0.4 93,-0.0 -0.554 23.0-125.7 -74.9 154.4 24.8 -10.3 22.7 210 212 A G - 0 0 0 -2,-0.2 14,-2.6 91,-0.1 15,-0.7 -0.859 17.1-158.5-103.9 142.3 25.1 -11.6 26.3 211 213 A Y E -Mn 223 323F 6 111,-1.3 113,-1.1 91,-0.9 2,-0.5 -0.948 7.0-150.1-127.0 111.6 28.3 -13.0 27.7 212 214 A L E -Mn 222 324F 2 10,-2.9 10,-2.2 -2,-0.5 113,-0.1 -0.664 13.8-136.7 -82.3 126.2 28.2 -15.3 30.8 213 215 A T - 0 0 25 111,-1.7 8,-0.1 -2,-0.5 7,-0.1 -0.688 22.3-128.6 -78.1 128.3 31.3 -15.2 33.0 214 216 A P - 0 0 13 0, 0.0 5,-0.2 0, 0.0 4,-0.1 -0.298 17.5-115.4 -73.5 162.0 32.3 -18.7 34.1 215 217 A D S S+ 0 0 80 2,-0.1 2,-0.5 3,-0.1 -2,-0.0 0.798 96.1 86.8 -67.7 -22.7 32.9 -19.4 37.8 216 218 A E S > S- 0 0 136 4,-0.1 3,-2.3 1,-0.1 0, 0.0 -0.655 93.0-112.5 -80.4 122.5 36.6 -20.1 37.1 217 219 A A T 3 S+ 0 0 107 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.331 98.9 10.0 -56.1 133.8 38.6 -16.9 37.2 218 220 A G T 3 S+ 0 0 91 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.408 93.1 149.2 76.5 3.2 39.9 -15.9 33.8 219 221 A G < - 0 0 30 -3,-2.3 -1,-0.2 -5,-0.2 2,-0.0 -0.294 56.7 -87.8 -69.4 155.3 37.8 -18.5 32.0 220 222 A A - 0 0 87 1,-0.1 -1,-0.1 -7,-0.1 2,-0.1 -0.283 47.4-109.3 -61.7 140.8 36.5 -17.9 28.4 221 223 A L - 0 0 38 -8,-0.1 2,-0.5 -3,-0.1 -8,-0.2 -0.437 25.6-137.0 -72.7 148.6 33.2 -16.1 28.2 222 224 A V E -M 212 0F 44 -10,-2.2 -10,-2.9 -2,-0.1 2,-0.7 -0.893 16.4-122.8-107.7 129.0 30.1 -18.1 27.0 223 225 A D E +M 211 0F 68 -2,-0.5 -12,-0.2 -12,-0.2 3,-0.1 -0.622 38.0 168.3 -70.0 112.9 27.6 -16.5 24.5 224 226 A S + 0 0 0 -14,-2.6 -13,-0.2 -2,-0.7 -1,-0.2 0.207 36.3 114.6-112.9 15.0 24.4 -16.7 26.5 225 227 A T + 0 0 1 -15,-0.7 2,-0.8 1,-0.1 -1,-0.1 0.855 67.3 55.3 -53.4 -50.7 22.3 -14.5 24.1 226 228 A E S S+ 0 0 90 -3,-0.1 2,-0.3 -16,-0.1 -1,-0.1 -0.798 70.2 124.6-102.9 108.7 19.8 -17.0 22.8 227 229 A Q - 0 0 0 -2,-0.8 -97,-0.2 -26,-0.4 -98,-0.1 -0.971 62.8-117.9-152.3 163.5 17.8 -18.9 25.5 228 230 A T - 0 0 8 -99,-2.7 -98,-0.1 -2,-0.3 5,-0.1 0.793 28.3-149.8 -75.6 -28.5 14.1 -19.5 26.4 229 231 A V >> + 0 0 1 -100,-0.2 4,-2.6 -101,-0.1 3,-1.8 0.733 49.9 142.2 55.6 28.4 14.3 -17.8 29.8 230 232 A S T 34 + 0 0 0 -99,-0.4 -1,-0.1 1,-0.3 -98,-0.1 0.753 57.1 68.2 -72.2 -19.4 11.6 -20.3 30.6 231 233 A W T 34 S+ 0 0 18 -103,-0.2 -1,-0.3 -100,-0.1 -117,-0.1 0.604 116.4 24.6 -69.7 -11.3 13.0 -20.7 34.1 232 234 A A T X4 S+ 0 0 0 -3,-1.8 3,-2.5 -70,-0.0 -2,-0.2 0.701 76.0 152.7-120.1 -47.5 11.9 -17.1 34.8 233 235 A Q G >X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.3 3,-2.0 -0.246 84.5 13.6 51.7-118.6 8.9 -16.2 32.5 234 236 A S G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -168,-0.3 0.514 132.0 55.3 -66.7 -5.5 6.9 -13.5 34.4 235 237 A A G <4 S- 0 0 0 -3,-2.5 -172,-0.5 -169,-0.1 -1,-0.3 0.521 134.3 -11.9 -93.9 -14.3 9.8 -13.1 36.8 236 238 A G T <4 S+ 0 0 4 -3,-2.0 -177,-0.5 -174,-0.2 -2,-0.2 0.583 94.4 101.2-168.6 7.0 12.4 -12.4 34.1 237 239 A A < + 0 0 8 -4,-2.9 -40,-0.4 -179,-0.1 -39,-0.2 0.388 46.5 121.5 -97.4 6.5 11.8 -12.9 30.3 238 240 A V - 0 0 0 -179,-0.4 -180,-2.2 -5,-0.3 -179,-0.5 -0.391 46.0-152.4 -69.0 144.8 11.1 -9.3 29.0 239 241 A I E +JK 57 195D 0 -44,-2.8 -44,-2.3 -182,-0.2 2,-0.2 -0.918 32.4 140.8-106.9 137.0 13.2 -7.9 26.2 240 242 A S E -J 56 0D 0 -184,-2.4 -184,-2.3 -2,-0.4 2,-0.3 -0.805 39.4-113.2-154.8-163.3 13.6 -4.1 26.0 241 243 A S > - 0 0 1 -2,-0.2 4,-2.6 -186,-0.2 5,-0.3 -0.908 34.6-104.5-137.8 166.3 15.8 -1.0 25.3 242 244 A T H > S+ 0 0 1 -190,-0.7 4,-2.0 -188,-0.3 5,-0.2 0.906 120.6 50.9 -62.8 -39.7 17.1 1.8 27.4 243 245 A Q H > S+ 0 0 92 -191,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.928 112.1 46.6 -64.2 -42.6 14.7 4.3 25.9 244 246 A D H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.890 111.0 49.3 -72.3 -36.5 11.7 2.0 26.6 245 247 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.899 111.5 51.7 -69.8 -33.2 12.6 1.2 30.2 246 248 A D H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.944 111.4 47.2 -60.4 -46.4 13.1 5.0 30.8 247 249 A T H X S+ 0 0 51 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.933 113.2 49.4 -61.5 -44.6 9.6 5.5 29.3 248 250 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.960 113.4 41.8 -63.0 -52.2 8.1 2.8 31.4 249 251 A F H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.886 114.3 53.4 -72.4 -28.5 9.4 3.8 34.9 250 252 A S H X S+ 0 0 20 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.931 110.8 46.8 -63.6 -42.1 8.7 7.5 34.2 251 253 A A H <>S+ 0 0 3 -4,-2.4 5,-2.6 -5,-0.2 6,-0.4 0.888 113.3 50.0 -63.9 -41.8 5.1 6.6 33.3 252 254 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.4 -5,-0.2 5,-0.3 0.968 114.4 41.2 -60.0 -54.0 4.9 4.4 36.5 253 255 A M H 3<5S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.5 57.7 -71.8 -27.6 6.2 7.0 38.9 254 256 A S T 3<5S- 0 0 58 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.477 119.7-107.2 -83.8 2.0 4.3 9.9 37.3 255 257 A G T < 5S+ 0 0 41 -3,-1.4 3,-0.3 -4,-0.4 -3,-0.2 0.677 81.7 123.3 92.5 24.5 1.0 8.0 38.0 256 258 A Q < + 0 0 133 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.569 67.4 52.6 -93.5 -8.6 0.0 6.9 34.4 257 259 A L S S- 0 0 11 -6,-0.4 2,-0.3 -5,-0.3 -1,-0.2 0.437 114.3 -0.6-114.2 1.5 -0.3 3.1 34.9 258 260 A M S S- 0 0 22 -3,-0.3 -1,-0.2 -6,-0.1 -186,-0.1 -0.952 87.6 -65.1-171.3 171.0 -2.6 2.6 37.9 259 261 A S > - 0 0 43 -2,-0.3 4,-2.5 -188,-0.2 5,-0.2 -0.292 47.0-113.0 -63.9 157.3 -4.7 4.4 40.5 260 262 A A H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 118.2 57.5 -55.8 -39.6 -3.0 6.6 43.1 261 263 A A H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 108.8 44.0 -59.1 -45.2 -4.1 4.1 45.8 262 264 A Q H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 110.3 54.0 -74.6 -32.9 -2.4 1.2 44.0 263 265 A L H X S+ 0 0 23 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.909 107.7 52.8 -62.0 -38.3 0.8 3.1 43.4 264 266 A A H < S+ 0 0 56 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.927 108.8 48.5 -63.5 -40.0 0.9 3.9 47.1 265 267 A Q H >< S+ 0 0 49 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.889 106.9 57.2 -62.6 -40.7 0.6 0.2 47.9 266 268 A M H 3< S+ 0 0 0 -4,-2.2 14,-1.9 1,-0.3 -1,-0.2 0.767 107.8 49.2 -63.4 -25.5 3.4 -0.5 45.4 267 269 A Q T 3< S+ 0 0 23 -4,-1.2 2,-1.0 -3,-0.5 -1,-0.3 0.106 72.6 119.7-104.8 22.6 5.6 1.8 47.4 268 270 A Q < - 0 0 110 -3,-1.6 2,-0.3 9,-0.0 10,-0.1 -0.754 65.1-135.8 -83.2 109.9 5.1 0.4 50.9 269 271 A W - 0 0 72 -2,-1.0 2,-0.4 8,-0.1 10,-0.2 -0.525 22.3-163.8 -84.2 130.4 8.7 -0.5 51.6 270 272 A T E -C 278 0A 31 8,-3.2 8,-2.1 -2,-0.3 2,-0.1 -0.866 39.5-105.5 -94.7 131.3 9.9 -3.7 53.2 271 273 A T E +C 277 0A 111 -2,-0.4 -116,-0.4 6,-0.2 6,-0.2 -0.439 42.8 168.0 -63.9 129.3 13.5 -3.3 54.4 272 274 A V E S- 0 0 42 4,-2.6 2,-0.3 1,-0.6 5,-0.2 0.736 71.4 -35.8 -98.0 -51.0 16.1 -5.1 52.2 273 275 A N E > S-C 276 0A 69 3,-1.7 3,-1.5 0, 0.0 -1,-0.6 -0.857 80.9 -69.6-158.7-173.7 19.2 -3.4 53.8 274 276 A S T 3 S+ 0 0 120 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 0.633 133.4 32.0 -69.9 -11.3 20.1 0.1 55.3 275 277 A T T 3 S+ 0 0 69 1,-0.1 11,-2.5 9,-0.0 2,-0.4 0.179 115.2 61.2-125.1 18.6 20.0 1.7 51.8 276 278 A Q E < -CD 273 285A 31 -3,-1.5 -4,-2.6 9,-0.2 -3,-1.7 -0.998 49.9-176.8-149.1 145.2 17.3 -0.4 50.0 277 279 A G E -CD 271 284A 0 7,-1.9 7,-2.3 -2,-0.4 2,-0.4 -0.878 16.5-141.6-131.5 166.8 13.7 -1.3 50.3 278 280 A Y E +CD 270 283A 0 -8,-2.1 -8,-3.2 -2,-0.3 5,-0.2 -0.998 21.3 171.0-127.8 130.9 11.3 -3.6 48.3 279 281 A G - 0 0 0 3,-3.2 2,-0.6 -2,-0.4 -12,-0.2 0.413 63.3 -42.4-105.0-117.9 7.6 -2.6 47.6 280 282 A L S S- 0 0 5 -14,-1.9 -175,-0.2 1,-0.1 3,-0.1 -0.926 122.6 -29.5-117.3 98.4 5.4 -4.6 45.3 281 283 A G S S+ 0 0 0 -177,-1.9 2,-0.3 -2,-0.6 -214,-0.2 0.823 123.4 99.4 61.6 32.5 7.6 -5.5 42.3 282 284 A L - 0 0 0 -16,-0.2 -3,-3.2 -215,-0.1 2,-0.3 -0.992 58.9-147.2-153.3 137.5 9.6 -2.4 42.8 283 285 A R E -DE 278 295A 24 12,-3.3 12,-2.4 -2,-0.3 2,-0.4 -0.838 3.8-153.8-108.5 147.4 12.9 -1.5 44.5 284 286 A R E -DE 277 294A 39 -7,-2.3 -7,-1.9 -2,-0.3 2,-0.4 -0.976 10.5-169.8-114.6 131.3 14.0 1.6 46.3 285 287 A R E -DE 276 293A 51 8,-2.3 8,-2.4 -2,-0.4 2,-0.5 -0.990 13.8-144.6-120.9 132.3 17.7 2.6 46.3 286 288 A D E - E 0 292A 46 -11,-2.5 6,-0.3 -2,-0.4 2,-0.1 -0.867 20.5-147.9 -97.4 119.8 19.0 5.4 48.6 287 289 A L > - 0 0 14 4,-3.5 3,-1.9 -2,-0.5 4,-0.1 -0.431 23.7-107.7 -94.0 162.6 21.8 7.3 47.0 288 290 A S T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.761 114.3 58.8 -62.7 -30.1 24.8 9.0 48.7 289 291 A a T 3 S- 0 0 62 2,-0.1 -1,-0.3 49,-0.0 3,-0.1 0.208 124.1 -96.0 -89.5 12.7 23.5 12.5 48.1 290 292 A G S < S+ 0 0 72 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.607 85.0 127.7 90.0 7.4 20.3 11.9 50.0 291 293 A I - 0 0 33 -4,-0.1 -4,-3.5 19,-0.0 2,-0.4 -0.841 44.7-152.8 -96.9 139.0 18.1 11.1 46.9 292 294 A S E -E 286 0A 38 -2,-0.4 19,-0.5 -6,-0.3 2,-0.3 -0.898 12.0-167.1-100.8 143.4 16.0 7.9 46.7 293 295 A V E -E 285 0A 0 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.4 -0.857 7.1-143.9-131.0 162.1 15.2 6.4 43.2 294 296 A Y E +EF 284 309A 23 15,-2.6 15,-2.7 -2,-0.3 2,-0.3 -0.966 47.8 74.5-135.9 134.1 12.7 3.7 42.3 295 297 A G E -EF 283 308A 0 -12,-2.4 -12,-3.3 -2,-0.4 2,-0.3 -0.917 66.7 -74.9 161.8-137.4 12.7 1.0 39.7 296 298 A H E - F 0 307A 0 11,-2.6 11,-2.0 -2,-0.3 2,-0.3 -0.996 18.5-135.4-158.8 155.4 14.4 -2.4 39.4 297 299 A T E - F 0 306A 28 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.730 22.2-156.4-100.8 157.5 17.6 -4.3 38.8 298 300 A G E - F 0 305A 2 7,-2.4 7,-2.6 -2,-0.3 2,-0.4 -0.998 15.2-177.0-139.7 143.9 17.9 -7.4 36.5 299 301 A T E + F 0 304A 74 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.966 19.2 151.7-129.8 115.8 20.3 -10.3 36.2 300 302 A V E > - F 0 303A 3 3,-2.0 3,-2.9 -2,-0.4 -243,-0.1 -0.919 64.8 -66.9-134.0 155.9 19.8 -12.8 33.4 301 303 A Q T 3 S+ 0 0 15 -2,-0.3 -89,-0.2 1,-0.3 -244,-0.1 -0.221 123.3 3.9 -56.1 121.5 22.7 -14.8 31.9 302 304 A G T 3 S+ 0 0 0 -91,-0.3 -91,-0.9 -92,-0.1 2,-0.4 0.377 117.4 84.1 89.3 0.6 24.9 -12.3 30.1 303 305 A Y E < -F 300 0A 0 -3,-2.9 -3,-2.0 19,-0.2 2,-0.5 -0.959 46.9-173.5-143.9 123.7 23.0 -9.1 31.1 304 306 A Y E -FG 299 321A 8 17,-2.7 17,-2.0 -2,-0.4 2,-0.4 -0.961 19.2-173.2-108.9 124.6 23.0 -6.8 34.1 305 307 A T E -FG 298 320A 0 -7,-2.6 -7,-2.4 -2,-0.5 2,-0.4 -0.939 17.6-174.9-120.8 139.8 20.4 -4.1 34.0 306 308 A Y E +FG 297 319A 6 13,-2.4 13,-2.5 -2,-0.4 2,-0.4 -0.999 11.2 171.4-123.1 131.7 19.6 -1.0 36.3 307 309 A A E +FG 296 318A 0 -11,-2.0 -11,-2.6 -2,-0.4 2,-0.3 -0.922 14.0 152.4-143.6 109.7 16.4 0.9 35.5 308 310 A F E -FG 295 317A 1 9,-2.5 9,-2.8 -2,-0.4 2,-0.3 -0.979 20.7-166.5-142.5 151.1 15.4 3.7 38.0 309 311 A A E -FG 294 316A 0 -15,-2.7 -15,-2.6 -2,-0.3 7,-0.2 -0.926 30.9 -98.7-132.9 160.3 13.5 6.9 38.1 310 312 A S > - 0 0 7 5,-2.7 3,-1.8 -2,-0.3 -17,-0.1 -0.263 49.5 -94.0 -70.5 167.1 13.1 9.8 40.5 311 313 A K T 3 S+ 0 0 113 -19,-0.5 -1,-0.1 1,-0.3 -18,-0.1 0.843 127.5 41.1 -55.5 -37.4 9.9 9.9 42.7 312 314 A D T 3 S- 0 0 86 -58,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.433 109.9-120.1 -94.8 2.1 8.0 12.1 40.2 313 315 A G S < S+ 0 0 6 -3,-1.8 -59,-0.1 2,-0.2 -282,-0.1 0.460 79.0 121.0 77.5 3.0 9.3 10.2 37.1 314 316 A K S S+ 0 0 106 1,-0.2 -283,-2.4 -61,-0.1 2,-0.4 0.766 73.5 39.1 -78.4 -22.5 10.9 13.4 35.6 315 317 A R E S+B 30 0A 8 -285,-0.2 -5,-2.7 -284,-0.1 2,-0.3 -0.999 71.5 175.2-123.2 130.5 14.4 11.8 35.5 316 318 A S E -BG 29 309A 0 -287,-1.9 -287,-2.6 -2,-0.4 2,-0.4 -0.954 9.0-166.9-133.1 149.4 15.0 8.2 34.5 317 319 A V E -BG 28 308A 0 -9,-2.8 -9,-2.5 -2,-0.3 2,-0.4 -0.998 5.8-175.3-136.2 134.4 18.1 6.2 33.9 318 320 A T E -BG 27 307A 0 -291,-2.2 -291,-2.4 -2,-0.4 2,-0.3 -0.998 8.5-178.3-130.9 127.1 18.7 2.8 32.3 319 321 A A E -BG 26 306A 0 -13,-2.5 -13,-2.4 -2,-0.4 2,-0.4 -0.944 1.8-173.2-124.8 145.3 22.2 1.1 32.3 320 322 A L E -BG 25 305A 0 -295,-2.4 -295,-2.6 -2,-0.3 2,-0.4 -0.997 11.7-174.4-140.6 130.9 23.2 -2.2 30.7 321 323 A A E -BG 24 304A 0 -17,-2.0 -17,-2.7 -2,-0.4 2,-0.9 -0.996 26.0-136.8-118.4 134.5 26.4 -4.3 30.8 322 324 A N S S+ 0 0 0 -299,-1.7 -111,-1.3 -2,-0.4 2,-0.3 -0.205 77.0 73.1 -91.7 50.1 26.4 -7.4 28.6 323 325 A T E -n 211 0F 0 -2,-0.9 2,-0.3 -113,-0.2 -19,-0.3 -0.937 55.9-172.4-138.7 168.4 28.0 -9.7 31.0 324 326 A S E +n 212 0F 3 -113,-1.1 -111,-1.7 -2,-0.3 -20,-0.1 -0.884 61.2 55.0-145.5-175.8 26.8 -11.5 34.2 325 327 A N S S+ 0 0 60 -2,-0.3 2,-0.3 -113,-0.1 -1,-0.1 0.886 83.1 110.5 51.7 44.9 28.3 -13.6 37.1 326 328 A N > - 0 0 24 -3,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.803 47.0-175.3-146.1 88.7 30.7 -10.7 37.6 327 329 A V H > S+ 0 0 92 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.834 83.1 59.8 -67.2 -28.0 30.0 -9.0 40.8 328 330 A N H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.949 109.0 44.7 -60.8 -44.7 32.6 -6.3 40.2 329 331 A V H > S+ 0 0 0 -310,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.928 112.8 52.0 -59.7 -47.2 30.8 -5.3 37.0 330 332 A L H X S+ 0 0 43 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.938 112.8 43.8 -56.5 -48.0 27.4 -5.4 38.8 331 333 A N H X S+ 0 0 106 -4,-2.8 4,-0.6 1,-0.2 3,-0.3 0.905 113.4 51.7 -68.2 -39.5 28.7 -3.1 41.6 332 334 A T H >< S+ 0 0 11 -4,-2.6 3,-1.9 -5,-0.3 4,-0.3 0.931 104.7 55.8 -60.5 -46.0 30.4 -0.7 39.2 333 335 A M H >< S+ 0 0 1 -4,-2.9 3,-1.8 1,-0.3 4,-0.3 0.813 95.5 67.0 -64.1 -23.1 27.2 -0.4 37.0 334 336 A A H >X S+ 0 0 13 -4,-1.2 3,-1.6 -3,-0.3 4,-0.7 0.780 86.3 71.5 -62.4 -26.2 25.3 0.8 40.2 335 337 A R H S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.3 -1,-0.3 0.849 91.0 56.7 -57.5 -32.3 25.6 5.1 37.0 337 339 A L H <>>S+ 0 0 1 -3,-1.6 4,-2.3 -4,-0.3 5,-0.6 0.910 106.3 48.7 -66.2 -41.1 22.7 6.0 39.5 338 340 A E H X>S+ 0 0 56 -4,-0.7 4,-2.1 1,-0.2 5,-1.2 0.961 115.8 42.4 -58.7 -53.1 25.1 8.2 41.5 339 341 A S H <5S+ 0 0 15 -4,-2.3 -334,-2.3 3,-0.2 4,-0.4 0.880 118.0 45.4 -64.2 -38.1 26.4 10.0 38.4 340 342 A A H <5S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.841 128.7 22.4 -77.5 -32.5 23.0 10.4 36.8 341 343 A F H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.804 131.0 36.1-101.4 -44.4 21.1 11.6 39.9 342 344 A a T <