==== 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 13-NOV-03 1RGY . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR M.NUKAGA,S.KUMAR,K.NUKAGA,R.F.PRATT,J.R.KNOX . 360 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 18.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 3 1 0 1 1 0 2 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 4 1 0 2 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 . 2 2 0 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 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 2 A A 0 0 113 0, 0.0 2,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 114.8 23.7 56.3 64.8 2 3 A K - 0 0 71 1,-0.1 2,-0.2 357,-0.1 31,-0.0 -0.369 360.0-133.0 -70.7 147.2 25.3 53.9 62.4 3 4 A T > - 0 0 75 1,-0.1 4,-2.2 -2,-0.1 3,-0.4 -0.556 29.6-104.0 -93.3 164.4 27.1 55.2 59.3 4 5 A E H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.889 124.3 50.5 -56.8 -38.0 26.5 53.6 55.8 5 6 A Q H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.825 107.6 52.1 -70.3 -31.4 29.9 52.0 56.1 6 7 A Q H > S+ 0 0 88 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.888 111.8 46.4 -70.8 -38.9 29.1 50.6 59.6 7 8 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.939 109.7 55.6 -66.2 -45.2 25.9 49.1 58.3 8 9 A A H X S+ 0 0 5 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.908 105.9 50.8 -52.7 -46.3 27.8 47.7 55.3 9 10 A D H X S+ 0 0 78 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.906 110.8 48.7 -60.2 -42.7 30.3 45.9 57.6 10 11 A I H X S+ 0 0 21 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.944 114.7 44.8 -61.9 -48.9 27.4 44.3 59.5 11 12 A V H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-1.1 0.937 112.1 50.3 -62.6 -49.8 25.6 43.2 56.4 12 13 A N H 3X S+ 0 0 52 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.865 101.8 62.9 -58.8 -37.8 28.7 41.8 54.6 13 14 A R H 3< S+ 0 0 166 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.784 115.6 31.5 -59.2 -28.1 29.8 39.8 57.7 14 15 A T H S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.879 114.4 58.2 -65.7 -31.9 29.6 33.5 54.3 18 19 A L H X S+ 0 0 10 -4,-1.5 4,-2.5 1,-0.2 6,-0.2 0.947 106.8 46.1 -60.2 -49.6 25.9 32.9 53.4 19 20 A M H X>S+ 0 0 22 -4,-2.8 5,-1.9 1,-0.2 4,-0.7 0.892 115.3 47.1 -61.8 -39.8 26.5 33.2 49.7 20 21 A Q H <5S+ 0 0 168 -4,-1.8 3,-0.5 -5,-0.3 -2,-0.2 0.951 115.1 43.5 -68.0 -49.3 29.5 30.9 49.8 21 22 A E H <5S+ 0 0 147 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 122.0 38.7 -64.9 -38.7 27.9 28.2 52.0 22 23 A Q H <5S- 0 0 46 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.459 105.4-126.5 -91.8 -2.2 24.7 28.2 50.1 23 24 A A T <5 + 0 0 65 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.914 44.0 172.5 56.7 46.5 26.3 28.6 46.7 24 25 A I < - 0 0 7 -5,-1.9 -1,-0.2 -6,-0.2 3,-0.1 -0.773 25.1-154.5 -88.6 119.9 24.2 31.6 45.9 25 26 A P S S+ 0 0 28 0, 0.0 19,-1.9 0, 0.0 2,-0.3 0.912 71.3 1.0 -60.9 -44.9 25.4 33.3 42.6 26 27 A G E -A 43 0A 0 17,-0.3 314,-2.0 19,-0.1 2,-0.3 -0.998 60.5-177.4-149.0 150.7 24.1 36.8 43.4 27 28 A M E -AB 42 339A 0 15,-2.0 15,-2.4 -2,-0.3 2,-0.4 -0.980 10.9-161.5-145.1 155.7 22.2 38.7 46.1 28 29 A A E -AB 41 338A 0 310,-2.2 310,-3.0 -2,-0.3 2,-0.4 -0.995 14.9-170.5-136.7 132.4 20.9 42.2 46.7 29 30 A V E -AB 40 337A 0 11,-2.8 11,-2.2 -2,-0.4 2,-0.4 -0.987 7.8-164.2-129.3 137.1 20.0 43.4 50.2 30 31 A A E -AB 39 336A 0 306,-1.9 306,-2.3 -2,-0.4 2,-0.4 -0.958 6.2-164.3-117.8 138.0 18.2 46.5 51.3 31 32 A I E -AB 38 335A 0 7,-2.5 7,-1.6 -2,-0.4 2,-0.6 -0.988 7.0-158.2-122.1 129.7 18.4 47.7 54.9 32 33 A I E +AB 37 334A 1 302,-2.7 302,-2.3 -2,-0.4 2,-0.5 -0.962 20.0 177.0-106.2 117.4 16.0 50.2 56.3 33 34 A Y E > -A 36 0A 13 3,-2.6 3,-2.2 -2,-0.6 300,-0.2 -0.990 69.8 -15.1-126.6 122.6 17.7 51.8 59.3 34 35 A E T 3 S- 0 0 108 -2,-0.5 299,-0.2 297,-0.5 -1,-0.1 0.874 130.3 -54.7 51.8 39.6 16.0 54.6 61.2 35 36 A G T 3 S+ 0 0 20 297,-2.1 -1,-0.3 1,-0.2 298,-0.1 0.424 115.2 113.7 78.4 0.1 13.6 54.9 58.2 36 37 A K E < -A 33 0A 126 -3,-2.2 -3,-2.6 296,-0.2 2,-0.2 -0.837 62.5-122.9-108.3 143.1 16.4 55.3 55.6 37 38 A P E -A 32 0A 45 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.582 23.1-178.0 -87.2 144.2 17.4 52.9 52.8 38 39 A Y E -A 31 0A 42 -7,-1.6 -7,-2.5 -2,-0.2 2,-0.3 -0.994 13.0-153.9-138.7 127.4 20.8 51.3 52.3 39 40 A Y E +A 30 0A 62 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.828 12.8 179.2-111.0 146.1 21.6 49.0 49.3 40 41 A F E -A 29 0A 16 -11,-2.2 -11,-2.8 -2,-0.3 2,-0.3 -0.999 2.8-174.0-142.3 141.2 24.1 46.2 48.9 41 42 A T E +A 28 0A 54 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.983 4.0 175.9-136.9 148.3 24.8 43.9 45.9 42 43 A W E -A 27 0A 41 -15,-2.4 -15,-2.0 -2,-0.3 12,-0.0 -0.989 42.1 -6.0-147.8 153.1 27.1 40.9 45.4 43 44 A G E S-A 26 0A 38 -2,-0.3 10,-2.2 -17,-0.2 2,-0.4 -0.112 87.8 -28.1 70.5-157.1 27.8 38.4 42.8 44 45 A K E -I 52 0B 83 -19,-1.9 3,-0.2 8,-0.3 296,-0.1 -0.828 22.5-171.4-112.9 139.4 26.3 37.6 39.4 45 46 A A E S+ 0 0 8 6,-2.7 155,-2.9 -2,-0.4 2,-0.4 0.709 96.6 24.8 -89.9 -26.9 22.8 38.0 38.0 46 47 A D E > -I 51 0B 19 5,-1.8 5,-2.4 153,-0.2 4,-0.4 -0.923 67.5-172.7-143.0 107.4 23.9 36.1 34.9 47 48 A I T > 5S+ 0 0 78 -2,-0.4 3,-1.0 -3,-0.2 -1,-0.1 0.954 82.9 51.1 -68.0 -53.1 26.8 33.6 35.3 48 49 A A T 3 5S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.868 121.2 34.1 -55.6 -41.1 27.3 32.6 31.6 49 50 A N T 3 5S- 0 0 104 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.419 107.9-126.2 -95.7 1.7 27.4 36.2 30.4 50 51 A N T < 5 + 0 0 99 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.921 48.1 161.7 54.4 54.2 29.2 37.4 33.6 51 52 A H E < -I 46 0B 98 -5,-2.4 -6,-2.7 3,-0.0 -5,-1.8 -0.898 31.3-131.9-104.8 130.9 26.7 40.2 34.5 52 53 A P E -I 44 0B 77 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.328 22.7-100.9 -79.0 160.3 26.8 41.5 38.0 53 54 A V + 0 0 6 -10,-2.2 2,-0.2 -26,-0.1 -12,-0.1 -0.627 49.7 178.8 -75.7 137.3 23.9 42.1 40.3 54 55 A T > - 0 0 54 -2,-0.3 3,-1.4 143,-0.2 172,-0.3 -0.758 47.6 -91.3-130.9 177.7 23.1 45.8 40.4 55 56 A Q T 3 S+ 0 0 88 1,-0.3 172,-1.0 -2,-0.2 171,-0.1 0.598 127.7 50.6 -68.8 -9.9 20.5 48.0 42.1 56 57 A Q T 3 S+ 0 0 77 169,-0.1 -1,-0.3 170,-0.1 2,-0.1 0.408 79.1 124.8-106.5 0.5 18.3 47.5 39.0 57 58 A T < - 0 0 4 -3,-1.4 2,-0.5 141,-0.1 169,-0.4 -0.402 56.5-136.4 -63.7 132.8 18.6 43.7 38.9 58 59 A L B -j 198 0C 0 139,-3.1 141,-2.0 136,-0.2 2,-0.3 -0.791 21.0-170.7 -95.4 128.8 15.1 42.1 38.9 59 60 A F E -K 224 0D 0 165,-2.7 165,-2.2 -2,-0.5 2,-0.5 -0.894 30.7-110.2-116.0 148.3 14.6 39.0 41.2 60 61 A E E -K 223 0D 2 -2,-0.3 163,-0.2 163,-0.2 279,-0.2 -0.680 26.8-160.1 -77.8 121.8 11.6 36.7 41.2 61 62 A L > - 0 0 0 161,-2.9 3,-2.0 -2,-0.5 262,-0.2 0.614 14.0-168.8 -79.5 -14.6 9.9 37.4 44.6 62 63 A G G > S- 0 0 0 158,-0.6 3,-2.4 160,-0.5 160,-0.4 -0.306 71.4 -2.9 57.8-140.1 8.0 34.2 44.8 63 64 A S G > S+ 0 0 15 1,-0.3 3,-2.0 254,-0.3 4,-0.3 0.523 114.7 83.1 -64.7 -5.9 5.4 34.4 47.6 64 65 A V G X> S+ 0 0 0 -3,-2.0 3,-1.7 1,-0.3 4,-0.8 0.736 78.6 76.6 -65.8 -15.3 6.5 37.8 48.7 65 66 A S H <> S+ 0 0 0 -3,-2.4 4,-1.8 1,-0.3 -1,-0.3 0.753 78.8 70.2 -61.7 -24.0 4.1 38.6 45.8 66 67 A K H <> S+ 0 0 0 -3,-2.0 4,-2.7 153,-0.4 -1,-0.3 0.740 89.5 59.5 -67.2 -24.1 1.3 37.8 48.2 67 68 A T H <> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.2 0.883 105.7 47.8 -71.9 -35.4 2.1 41.0 50.1 68 69 A F H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.2 -2,-0.2 0.916 111.6 52.0 -67.3 -41.4 1.4 43.0 47.0 69 70 A N H X S+ 0 0 1 -4,-1.8 4,-2.5 149,-0.2 -2,-0.2 0.960 110.1 48.1 -57.0 -52.7 -1.8 40.9 46.6 70 71 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.883 112.1 47.9 -57.8 -43.7 -2.9 41.7 50.2 71 72 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.901 110.7 51.1 -65.6 -42.1 -2.3 45.4 49.8 72 73 A L H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.898 112.2 48.3 -62.6 -39.5 -4.2 45.6 46.5 73 74 A G H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.911 110.0 51.0 -66.0 -41.7 -7.0 43.8 48.2 74 75 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.900 108.8 52.2 -61.3 -39.8 -6.9 46.2 51.2 75 76 A D H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.893 107.6 51.7 -63.2 -39.6 -7.0 49.1 48.7 76 77 A A H <>S+ 0 0 2 -4,-2.0 5,-2.2 2,-0.2 6,-0.9 0.868 109.4 50.5 -65.3 -36.4 -10.1 47.6 47.1 77 78 A I H ><5S+ 0 0 38 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.933 109.7 49.9 -65.3 -45.8 -11.7 47.3 50.5 78 79 A A H 3<5S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.778 106.7 56.3 -63.6 -27.8 -10.9 51.0 51.2 79 80 A R T 3<5S- 0 0 101 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.534 114.7-118.6 -80.9 -7.4 -12.4 51.9 47.8 80 81 A G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.630 82.8 119.5 78.7 14.3 -15.6 50.3 48.9 81 82 A E S - 0 0 126 -2,-0.3 3,-1.6 1,-0.1 22,-0.3 -0.991 22.5-131.6-133.7 139.1 -15.7 43.6 51.8 84 85 A L T 3 S+ 0 0 27 -2,-0.4 22,-2.1 1,-0.3 21,-0.4 0.802 109.5 59.0 -61.9 -25.4 -13.8 40.7 53.5 85 86 A S T 3 S+ 0 0 83 20,-0.2 -1,-0.3 19,-0.2 22,-0.0 0.614 80.6 113.2 -78.7 -11.8 -17.1 39.4 54.7 86 87 A D S < S- 0 0 20 -3,-1.6 19,-1.9 1,-0.1 20,-0.2 -0.303 74.8-111.3 -61.9 140.3 -18.5 39.1 51.2 87 88 A P B >> -M 104 0E 57 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.461 18.2-123.8 -73.4 146.4 -19.2 35.5 50.0 88 89 A V H >> S+ 0 0 0 15,-2.5 4,-1.5 12,-0.3 3,-1.2 0.845 110.6 65.4 -55.1 -35.0 -16.9 34.1 47.3 89 90 A T H 34 S+ 0 0 51 14,-0.4 -1,-0.3 11,-0.3 6,-0.1 0.655 87.7 68.1 -64.4 -17.1 -20.0 33.4 45.3 90 91 A K H <4 S+ 0 0 115 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.856 112.2 31.3 -69.6 -33.5 -20.8 37.2 45.0 91 92 A Y H << S+ 0 0 20 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.624 132.8 32.4 -98.2 -18.4 -17.7 37.5 42.8 92 93 A W >< + 0 0 40 -4,-1.5 3,-2.1 1,-0.1 -1,-0.2 -0.618 64.2 172.6-139.8 75.3 -17.8 34.1 41.2 93 94 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.778 72.4 74.4 -53.2 -31.5 -21.5 33.1 40.9 94 95 A E T 3 S+ 0 0 101 1,-0.2 2,-2.0 -3,-0.1 3,-0.2 0.640 71.2 90.5 -61.0 -14.6 -20.5 30.1 38.8 95 96 A L < + 0 0 1 -3,-2.1 -1,-0.2 1,-0.2 -3,-0.1 -0.538 49.6 156.7 -83.7 74.4 -19.3 28.4 42.0 96 97 A T + 0 0 120 -2,-2.0 -1,-0.2 3,-0.0 5,-0.1 0.693 23.4 124.5 -73.7 -22.9 -22.6 26.8 42.7 97 98 A G > - 0 0 18 -3,-0.2 3,-1.6 1,-0.2 4,-0.2 -0.042 64.6-133.6 -42.9 135.6 -21.3 24.0 44.9 98 99 A K G > S+ 0 0 153 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.762 102.6 70.7 -65.5 -24.2 -22.9 23.9 48.3 99 100 A Q G 3 S+ 0 0 56 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.695 91.0 62.1 -66.4 -16.8 -19.4 23.5 49.9 100 101 A W G X S+ 0 0 0 -3,-1.6 3,-1.7 35,-0.1 -12,-0.3 0.567 75.8 108.2 -85.8 -9.7 -18.8 27.2 48.9 101 102 A R T < S+ 0 0 179 -3,-1.6 3,-0.1 1,-0.3 -5,-0.0 -0.484 85.3 20.0 -67.3 135.1 -21.6 28.5 51.1 102 103 A G T 3 S+ 0 0 58 1,-0.3 2,-0.6 -2,-0.2 -1,-0.3 0.423 91.9 123.5 87.4 -4.4 -20.2 30.3 54.1 103 104 A I < - 0 0 0 -3,-1.7 -15,-2.5 3,-0.0 -14,-0.4 -0.846 43.1-168.0 -95.8 121.9 -16.8 30.8 52.5 104 105 A S B > -M 87 0E 14 -2,-0.6 4,-1.6 -17,-0.3 -19,-0.2 -0.482 39.0-104.0-103.6 172.9 -15.8 34.5 52.4 105 106 A L H > S+ 0 0 0 -19,-1.9 4,-2.7 -21,-0.4 5,-0.2 0.856 122.3 60.0 -63.5 -33.0 -13.1 36.6 50.7 106 107 A L H > S+ 0 0 30 -22,-2.1 4,-2.1 -20,-0.2 6,-0.3 0.925 101.7 52.4 -60.1 -44.8 -11.4 36.7 54.1 107 108 A H H 4>S+ 0 0 24 -23,-0.3 5,-2.0 1,-0.2 6,-0.8 0.913 111.7 45.6 -58.5 -44.3 -11.2 32.9 54.1 108 109 A L H ><5S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.944 113.3 49.4 -63.8 -47.3 -9.5 32.9 50.7 109 110 A A H 3<5S+ 0 0 0 -4,-2.7 160,-0.5 1,-0.2 -1,-0.2 0.791 118.2 39.0 -62.7 -30.9 -7.1 35.7 51.6 110 111 A T T 3<5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.171 108.3-113.9-109.5 16.8 -6.1 34.0 54.9 111 112 A Y T < 5S+ 0 0 4 -3,-1.1 37,-2.3 -4,-0.3 4,-0.2 0.745 84.4 116.2 59.7 27.0 -5.9 30.4 53.8 112 113 A T < + 0 0 0 -5,-2.0 32,-3.2 -6,-0.3 33,-0.3 0.200 30.6 108.1-111.1 17.2 -8.8 29.5 56.1 113 114 A A S S- 0 0 1 -6,-0.8 -1,-0.1 30,-0.2 -5,-0.1 0.728 102.4 -81.9 -66.1 -24.8 -11.4 28.4 53.5 114 115 A G S S- 0 0 0 32,-0.3 26,-3.6 -3,-0.2 27,-1.1 0.621 87.7 -37.1 129.2 27.5 -11.0 24.7 54.5 115 116 A G + 0 0 2 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.810 64.5 177.1 100.8 30.3 -8.0 23.2 52.9 116 117 A L - 0 0 3 32,-0.1 -1,-0.2 1,-0.1 37,-0.2 -0.478 47.2 -93.9 -61.6 143.1 -7.7 24.6 49.4 117 118 A P - 0 0 38 0, 0.0 35,-1.2 0, 0.0 36,-0.2 -0.209 19.0-119.8 -65.1 150.9 -4.5 23.0 48.0 118 119 A L S S+ 0 0 63 32,-0.2 33,-2.7 33,-0.2 34,-0.4 0.906 100.2 30.1 -52.4 -46.6 -1.0 24.5 48.2 119 120 A Q S S- 0 0 104 32,-0.2 -1,-0.1 31,-0.2 3,-0.1 -0.874 83.0-119.2-119.0 150.2 -0.8 24.4 44.4 120 121 A I - 0 0 21 -2,-0.3 94,-0.1 94,-0.2 10,-0.0 -0.742 58.1 -89.6 -80.9 130.0 -3.4 24.6 41.7 121 122 A P > - 0 0 39 0, 0.0 3,-1.8 0, 0.0 93,-0.1 -0.098 29.0-130.6 -44.1 134.0 -3.1 21.3 39.8 122 123 A D T 3 S+ 0 0 152 1,-0.3 -2,-0.0 -3,-0.1 92,-0.0 0.753 104.1 67.3 -59.5 -27.7 -0.6 21.4 37.0 123 124 A D T 3 S+ 0 0 124 2,-0.0 2,-0.8 6,-0.0 -1,-0.3 0.639 79.3 94.6 -69.7 -13.7 -3.1 19.8 34.6 124 125 A I < + 0 0 9 -3,-1.8 90,-0.4 1,-0.1 3,-0.1 -0.718 38.9 148.1 -83.9 109.7 -5.2 23.0 34.8 125 126 A T + 0 0 104 -2,-0.8 2,-0.3 88,-0.1 -1,-0.1 0.246 55.3 45.4-126.5 11.4 -4.1 25.2 31.9 126 127 A D S > S- 0 0 66 1,-0.1 4,-2.0 88,-0.0 3,-0.2 -0.985 82.6-105.6-152.5 160.9 -7.3 27.1 31.0 127 128 A K H > S+ 0 0 173 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.899 116.8 53.6 -52.3 -49.2 -10.2 29.1 32.6 128 129 A A H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 110.7 46.6 -55.3 -44.1 -12.7 26.3 32.1 129 130 A A H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.842 109.4 54.8 -68.4 -33.5 -10.5 23.8 33.9 130 131 A L H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.892 107.4 50.3 -66.9 -39.0 -9.9 26.2 36.7 131 132 A L H X S+ 0 0 38 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.933 110.1 49.4 -64.1 -46.4 -13.6 26.6 37.2 132 133 A R H X S+ 0 0 139 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.901 108.0 56.5 -59.4 -40.9 -14.1 22.8 37.4 133 134 A F H X S+ 0 0 34 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.952 112.7 37.7 -55.9 -55.4 -11.2 22.6 39.9 134 135 A Y H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.872 114.6 57.1 -66.6 -35.6 -12.8 25.0 42.4 135 136 A Q H < S+ 0 0 55 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.8 37.9 -62.7 -38.6 -16.3 23.6 41.7 136 137 A N H < S+ 0 0 130 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.478 86.7 121.2 -93.2 -3.4 -15.2 20.0 42.6 137 138 A W < - 0 0 21 -4,-0.8 -38,-0.1 -3,-0.4 -21,-0.1 -0.403 52.8-148.5 -63.3 132.8 -12.9 20.9 45.5 138 139 A Q - 0 0 167 -2,-0.1 -1,-0.1 -23,-0.1 -2,-0.1 -0.917 16.8-121.7-108.7 118.0 -14.1 19.3 48.7 139 140 A P - 0 0 38 0, 0.0 -24,-0.2 0, 0.0 -25,-0.1 -0.246 13.4-159.5 -56.3 138.5 -13.4 21.2 52.0 140 141 A Q S S+ 0 0 116 -26,-3.6 2,-0.3 1,-0.2 -25,-0.2 0.710 78.4 14.2 -90.3 -24.6 -11.3 19.2 54.5 141 142 A W S S- 0 0 66 -27,-1.1 -1,-0.2 5,-0.1 3,-0.1 -0.928 92.7 -86.1-144.1 164.9 -12.5 21.4 57.3 142 143 A T > - 0 0 99 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 -0.354 65.2 -75.0 -71.5 155.1 -15.2 23.9 58.0 143 144 A P T 3 S+ 0 0 55 0, 0.0 -30,-0.2 0, 0.0 -1,-0.2 -0.252 117.9 8.6 -53.6 130.6 -14.6 27.6 57.1 144 145 A G T 3 S+ 0 0 12 -32,-3.2 153,-0.2 2,-0.3 -31,-0.1 0.345 98.2 106.9 81.7 -5.5 -12.3 29.3 59.6 145 146 A A S < S+ 0 0 38 -3,-2.1 152,-2.1 -33,-0.3 2,-0.3 0.912 83.7 13.0 -72.6 -44.4 -11.3 26.1 61.4 146 147 A K E -N 296 0F 64 -4,-0.5 2,-0.5 150,-0.3 -32,-0.3 -0.968 63.3-133.3-137.9 153.3 -7.8 25.7 60.1 147 148 A R E +N 295 0F 7 148,-3.1 148,-2.2 -2,-0.3 2,-0.4 -0.887 23.2 174.0-104.3 128.3 -5.1 27.6 58.2 148 149 A L - 0 0 29 -37,-2.3 146,-0.1 -2,-0.5 -35,-0.1 -0.888 34.1-125.5-136.4 102.9 -3.4 25.8 55.4 149 150 A Y + 0 0 22 144,-0.4 2,-0.3 -2,-0.4 3,-0.1 -0.199 44.6 165.9 -48.6 131.1 -1.0 28.0 53.4 150 151 A A >> - 0 0 0 1,-0.1 4,-1.5 -32,-0.0 3,-0.6 -0.949 47.3-151.3-159.2 134.3 -2.0 27.8 49.8 151 152 A N H 3> S+ 0 0 13 -33,-2.7 4,-1.8 -2,-0.3 5,-0.3 0.863 103.2 60.2 -68.7 -34.3 -1.4 29.5 46.5 152 153 A S H 3> S+ 0 0 0 -35,-1.2 4,-0.6 -34,-0.4 -1,-0.2 0.705 106.8 48.0 -67.1 -19.9 -4.9 28.4 45.3 153 154 A S H <> S+ 0 0 2 -3,-0.6 4,-1.9 -36,-0.2 3,-0.3 0.957 120.1 29.2 -84.9 -66.5 -6.5 30.3 48.2 154 155 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.776 115.9 63.9 -68.3 -23.0 -4.9 33.7 48.2 155 156 A G H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.937 105.5 44.0 -64.5 -43.8 -4.4 33.4 44.4 156 157 A L H X S+ 0 0 4 -4,-0.6 4,-2.4 -3,-0.3 5,-0.3 0.897 108.9 58.6 -67.6 -38.5 -8.2 33.3 44.0 157 158 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.931 106.6 47.7 -55.8 -46.4 -8.7 36.1 46.5 158 159 A G H X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.904 110.8 51.1 -62.5 -40.9 -6.5 38.4 44.4 159 160 A A H < S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 116.5 40.1 -64.5 -39.6 -8.3 37.5 41.2 160 161 A L H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.830 105.4 66.2 -79.5 -31.8 -11.8 38.2 42.7 161 162 A A H 3< S+ 0 0 2 -4,-2.7 4,-0.2 -5,-0.3 -1,-0.2 0.808 104.1 45.1 -59.5 -32.5 -10.7 41.3 44.6 162 163 A V T 3X>S+ 0 0 7 -4,-1.1 4,-0.8 1,-0.2 5,-0.6 0.448 85.9 94.4 -92.6 -1.3 -10.0 43.2 41.4 163 164 A K T X45S+ 0 0 107 -3,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.925 81.8 52.0 -58.9 -47.0 -13.2 42.2 39.6 164 165 A P T 345S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.845 102.1 62.7 -59.4 -29.6 -15.3 45.3 40.6 165 166 A S T 345S- 0 0 26 -3,-0.4 -2,-0.2 -4,-0.2 3,-0.1 0.782 100.2-135.9 -65.5 -26.8 -12.5 47.5 39.3 166 167 A G T <<5 + 0 0 72 -3,-1.3 2,-0.2 -4,-0.8 -3,-0.1 0.433 67.9 111.5 84.5 -1.8 -13.0 46.2 35.8 167 168 A M S - 0 0 67 -2,-0.2 4,-2.9 -3,-0.1 5,-0.3 -0.337 39.2-105.8 -73.4 164.6 -7.1 42.8 35.1 169 170 A Y H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 122.0 49.4 -58.7 -44.6 -5.0 41.9 38.2 170 171 A E H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 113.2 45.2 -63.2 -42.8 -1.9 43.2 36.5 171 172 A E H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.920 114.0 49.0 -68.8 -41.3 -3.4 46.5 35.4 172 173 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.937 112.3 48.9 -62.2 -46.2 -5.0 47.1 38.8 173 174 A M H X>S+ 0 0 1 -4,-2.8 5,-2.3 -5,-0.3 4,-1.9 0.926 113.4 47.2 -58.9 -45.1 -1.7 46.3 40.6 174 175 A T H <>S+ 0 0 43 -4,-2.2 5,-2.8 3,-0.2 -2,-0.2 0.931 119.5 37.0 -63.8 -47.9 0.2 48.6 38.3 175 176 A R H <5S+ 0 0 136 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.834 125.7 35.5 -77.5 -32.2 -2.2 51.6 38.5 176 177 A R H <5S+ 0 0 24 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.657 134.5 9.5 -98.3 -18.3 -3.2 51.3 42.2 177 178 A V T X5S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.4 -3,-0.2 0.668 123.7 44.5-125.2 -58.4 -0.0 50.1 43.9 178 179 A L T 4XS+ 0 0 9 -5,-2.3 5,-3.0 1,-0.2 4,-0.3 0.940 117.2 41.2 -61.7 -52.0 3.1 50.1 41.7 179 180 A Q T >4 < + 0 0 5 -5,-3.0 3,-1.0 -6,-0.2 -1,-0.2 -0.623 3.6 161.7 -92.6 76.1 8.0 51.1 41.9 184 185 A A T 3 + 0 0 67 -2,-1.5 -1,-0.2 1,-0.3 -5,-0.1 0.486 69.7 51.5 -76.7 -5.6 9.2 51.5 38.4 185 186 A H T 3 S+ 0 0 40 -3,-0.1 40,-0.7 -7,-0.1 2,-0.4 -0.171 86.9 98.5-123.5 37.7 11.3 48.3 38.5 186 187 A T E < +L 224 0D 4 -3,-1.0 2,-0.3 38,-0.2 38,-0.2 -0.996 49.8 171.5-127.2 127.0 8.6 46.0 39.8 187 188 A W E -L 223 0D 78 36,-2.8 36,-2.9 -2,-0.4 3,-0.2 -0.980 43.2-166.0-142.1 151.6 6.7 43.8 37.3 188 189 A I S S+ 0 0 17 1,-0.4 2,-0.5 -2,-0.3 -1,-0.1 0.759 106.0 27.5 -94.2 -36.9 4.3 40.9 36.9 189 190 A T S S- 0 0 78 -3,-0.1 -1,-0.4 34,-0.1 -3,-0.0 -0.976 89.3-136.7-125.0 112.0 5.4 40.7 33.3 190 191 A V - 0 0 19 -2,-0.5 5,-0.1 -3,-0.2 -3,-0.0 -0.574 25.6-129.3 -71.6 123.0 8.9 41.9 32.6 191 192 A P >> - 0 0 37 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.303 20.1-108.4 -71.3 157.5 8.9 44.0 29.5 192 193 A Q G >4 S+ 0 0 171 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.876 118.1 59.1 -51.5 -41.2 11.3 43.4 26.6 193 194 A S G 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.645 108.8 44.1 -65.7 -16.0 13.2 46.6 27.5 194 195 A E G X4 S+ 0 0 29 -3,-2.0 3,-2.0 1,-0.1 4,-0.5 0.421 81.1 97.3-109.2 0.3 13.9 45.4 31.0 195 196 A Q G X< S+ 0 0 112 -3,-1.2 3,-1.4 -4,-0.7 -2,-0.1 0.826 73.8 68.5 -58.9 -30.7 15.0 41.8 30.3 196 197 A K G 3 S+ 0 0 152 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.750 104.6 43.8 -60.0 -22.7 18.6 42.9 30.4 197 198 A N G < S+ 0 0 22 -3,-2.0 -139,-3.1 -140,-0.1 2,-0.8 0.465 85.8 107.7-100.0 -5.3 18.1 43.5 34.1 198 199 A Y B < -j 58 0C 35 -3,-1.4 -139,-0.1 -4,-0.5 -141,-0.1 -0.650 65.8-141.5 -78.1 108.5 16.2 40.2 34.8 199 200 A A - 0 0 1 -141,-2.0 2,-0.3 -2,-0.8 -153,-0.2 -0.284 13.2-117.7 -67.5 154.0 18.5 38.0 36.7 200 201 A W - 0 0 89 -155,-2.9 2,-0.3 9,-0.1 9,-0.1 -0.696 24.5-135.5 -86.5 148.3 18.6 34.3 35.9 201 202 A G E -O 208 0G 0 7,-1.9 7,-2.4 -2,-0.3 2,-0.4 -0.665 19.4-138.1 -95.5 159.9 17.6 32.1 38.8 202 203 A Y E +Op 207 341G 10 118,-1.6 140,-0.5 138,-1.3 2,-0.4 -0.978 24.6 173.0-130.7 127.7 19.8 29.0 39.4 203 204 A R E > S-O 206 0G 142 3,-2.1 3,-2.0 -2,-0.4 117,-0.1 -0.995 83.8 -11.5-129.3 121.7 18.8 25.5 40.4 204 205 A E T 3 S- 0 0 175 -2,-0.4 -1,-0.1 1,-0.3 116,-0.0 0.842 130.1 -58.3 56.1 33.4 21.5 22.8 40.4 205 206 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.537 112.5 120.7 76.6 7.7 23.7 25.4 38.7 206 207 A K E < -O 203 0G 131 -3,-2.0 -3,-2.1 1,-0.0 -1,-0.2 -0.881 66.7-115.9-108.8 134.4 21.4 25.8 35.7 207 208 A P E +O 202 0G 61 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.465 44.8 164.7 -70.0 132.0 19.7 29.1 34.7 208 209 A V E -O 201 0G 52 -7,-2.4 -7,-1.9 -2,-0.2 2,-0.3 -0.996 26.1-156.7-149.2 149.6 15.9 29.1 35.0 209 210 A H - 0 0 47 -2,-0.3 -9,-0.1 -9,-0.1 -10,-0.0 -0.936 41.7 -90.8-123.6 149.0 13.0 31.5 35.1 210 211 A V - 0 0 42 -2,-0.3 3,-0.1 1,-0.1 108,-0.0 -0.264 43.9-130.0 -58.3 141.9 9.6 30.8 36.6 211 212 A S - 0 0 91 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.605 30.0 -88.4 -94.0 156.9 7.1 29.3 34.1 212 213 A P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.316 55.7 166.0 -62.2 146.2 3.6 30.6 33.5 213 214 A G > - 0 0 27 -3,-0.1 3,-1.6 -88,-0.0 4,-0.3 -0.979 43.6 -71.2-156.4 162.2 0.9 29.0 35.8 214 215 A Q T 3 S- 0 0 47 -90,-0.4 -94,-0.2 -2,-0.3 -59,-0.0 -0.374 116.1 -5.8 -61.6 132.2 -2.7 29.6 36.9 215 216 A L T 3> S+ 0 0 23 -2,-0.1 4,-1.4 1,-0.1 -1,-0.3 0.802 90.0 145.4 52.2 34.7 -3.0 32.6 39.2 216 217 A D H <>> + 0 0 49 -3,-1.6 4,-3.2 2,-0.2 5,-2.1 0.938 63.8 52.5 -67.8 -46.4 0.7 33.0 39.2 217 218 A A H 45S+ 0 0 9 -4,-0.3 5,-0.3 1,-0.2 4,-0.2 0.903 111.8 48.8 -55.4 -42.9 0.8 36.8 39.3 218 219 A E H 45S+ 0 0 21 1,-0.1 -1,-0.2 2,-0.1 -149,-0.2 0.815 124.8 25.2 -66.9 -34.6 -1.5 36.7 42.3 219 220 A A H <5S- 0 0 0 -4,-1.4 -153,-0.4 -3,-0.3 -154,-0.2 0.805 139.9 -15.3-105.0 -34.0 0.5 34.1 44.3 220 221 A Y T <5S+ 0 0 44 -4,-3.2 -158,-0.6 -5,-0.2 -3,-0.2 0.337 97.6 98.3-158.6 16.0 4.1 34.1 43.3 221 222 A G < + 0 0 4 -5,-2.1 -4,-0.2 -4,-0.2 2,-0.2 0.390 45.5 115.3-100.0 7.5 4.8 35.9 40.0 222 223 A V - 0 0 2 -160,-0.4 -161,-2.9 -5,-0.3 -160,-0.5 -0.508 43.0-161.4 -79.9 142.9 6.1 39.4 40.8 223 224 A K E +KL 60 187D 23 -36,-2.9 -36,-2.8 -163,-0.2 2,-0.3 -0.950 19.6 163.8-118.0 140.5 9.7 40.4 39.9 224 225 A S E -KL 59 186D 0 -165,-2.2 -165,-2.7 -2,-0.4 -38,-0.2 -0.981 30.6-117.0-155.2 165.3 11.4 43.4 41.6 225 226 A S > - 0 0 0 -40,-0.7 4,-2.3 -2,-0.3 5,-0.2 -0.517 34.7-107.4 -99.3 169.2 14.7 45.2 42.3 226 227 A V H > S+ 0 0 0 -169,-0.4 4,-1.6 -172,-0.3 5,-0.1 0.861 119.2 52.0 -66.9 -33.8 16.4 45.9 45.6 227 228 A I H > S+ 0 0 44 -172,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.942 111.6 45.6 -67.4 -45.9 15.5 49.6 45.3 228 229 A D H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.888 111.9 51.6 -65.1 -38.8 11.8 49.0 44.8 229 230 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.841 106.8 53.4 -69.0 -29.5 11.7 46.4 47.5 230 231 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.916 110.9 47.5 -67.1 -40.8 13.3 48.8 49.9 231 232 A R H X S+ 0 0 90 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.880 109.7 53.5 -65.4 -37.9 10.5 51.3 49.0 232 233 A W H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.916 110.0 47.2 -63.8 -43.4 7.9 48.5 49.4 233 234 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.946 112.3 49.5 -64.3 -46.2 9.2 47.9 52.9 234 235 A Q H X S+ 0 0 42 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 111.4 49.2 -59.5 -43.8 9.2 51.6 53.8 235 236 A A H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.864 116.1 42.1 -64.2 -37.7 5.7 52.1 52.5 236 237 A N H < S+ 0 0 0 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.837 112.4 54.1 -79.7 -31.0 4.3 49.1 54.5 237 238 A M H < S+ 0 0 12 -4,-2.8 2,-0.3 1,-0.3 -2,-0.2 0.916 132.3 4.7 -67.3 -43.9 6.3 49.9 57.6 238 239 A D >< + 0 0 77 -4,-2.2 3,-0.6 -5,-0.2 -1,-0.3 -0.826 62.9 178.2-146.4 99.4 5.0 53.4 57.8 239 240 A A G > + 0 0 2 -3,-0.3 3,-1.6 -2,-0.3 -4,-0.1 0.283 55.3 105.9 -86.1 10.1 2.3 54.4 55.3 240 241 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.2 8,-0.0 -5,-0.1 0.731 81.0 50.7 -62.1 -21.1 1.9 57.9 56.8 241 242 A H G < S+ 0 0 101 -3,-0.6 2,-0.5 -6,-0.1 -1,-0.3 0.503 81.8 109.8 -94.4 -6.8 3.8 59.3 53.8 242 243 A V < - 0 0 11 -3,-1.6 6,-0.1 -7,-0.2 -61,-0.1 -0.606 55.4-158.9 -73.6 121.4 1.6 57.5 51.2 243 244 A Q + 0 0 182 -2,-0.5 2,-0.5 -63,-0.2 -1,-0.2 0.896 67.5 81.9 -70.1 -45.2 -0.4 60.1 49.4 244 245 A E S > S- 0 0 109 1,-0.1 4,-2.5 -64,-0.1 3,-0.4 -0.533 71.4-148.6 -71.4 116.8 -3.3 58.0 48.0 245 246 A K H > S+ 0 0 100 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.862 92.4 46.3 -51.9 -50.8 -5.8 57.5 50.8 246 247 A T H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -168,-0.2 0.830 113.4 50.6 -68.0 -28.9 -7.2 54.1 49.9 247 248 A L H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.919 110.2 49.4 -72.0 -43.8 -3.6 52.8 49.3 248 249 A Q H X S+ 0 0 48 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.926 115.9 43.9 -57.9 -44.8 -2.5 54.1 52.7 249 250 A Q H X S+ 0 0 81 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.888 111.4 53.7 -68.6 -39.2 -5.6 52.4 54.2 250 251 A G H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.887 106.3 52.6 -63.2 -39.8 -5.1 49.2 52.2 251 252 A I H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 3,-0.3 0.945 110.7 47.8 -60.7 -46.2 -1.5 48.9 53.4 252 253 A E H >< S+ 0 0 79 -4,-1.8 3,-1.5 1,-0.2 54,-0.4 0.919 108.7 53.9 -61.5 -43.7 -2.8 49.2 57.0 253 254 A L H >< S+ 0 0 49 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.816 99.0 62.9 -60.6 -31.7 -5.5 46.6 56.4 254 255 A A H 3< S+ 0 0 0 -4,-1.7 14,-2.0 -3,-0.3 16,-0.3 0.681 105.6 47.2 -68.9 -16.6 -2.9 44.1 55.2 255 256 A Q T << S+ 0 0 8 -3,-1.5 52,-0.5 -4,-0.6 -1,-0.3 0.249 82.8 116.3-106.3 9.0 -1.3 44.2 58.6 256 257 A S S < S- 0 0 9 -3,-1.5 2,-0.8 50,-0.2 12,-0.1 -0.486 73.4-116.5 -71.1 154.0 -4.5 43.8 60.6 257 258 A R E +C 304 0A 13 47,-2.8 47,-1.6 1,-0.2 10,-0.2 -0.852 42.0 165.6 -98.4 111.2 -4.5 40.6 62.5 258 259 A Y E + 0 0 10 8,-2.6 42,-2.3 -2,-0.8 2,-0.3 0.721 65.4 11.4 -95.8 -27.7 -7.3 38.3 61.3 259 260 A W E -CD 299 266A 6 7,-0.7 7,-2.2 40,-0.2 2,-0.5 -0.988 62.0-139.3-149.2 152.2 -6.3 35.0 62.9 260 261 A R E -CD 298 265A 93 38,-2.5 38,-2.3 -2,-0.3 2,-0.5 -0.977 16.4-178.8-116.7 128.3 -3.8 33.8 65.4 261 262 A I E > - D 0 264A 12 3,-3.3 3,-2.1 -2,-0.5 2,-0.4 -0.917 69.5 -51.4-125.9 99.3 -1.9 30.5 64.7 262 263 A G T 3 S- 0 0 47 -2,-0.5 36,-0.0 1,-0.3 33,-0.0 -0.578 121.6 -25.4 68.9-125.7 0.3 29.7 67.6 263 264 A D T 3 S+ 0 0 125 -2,-0.4 11,-0.5 -3,-0.1 2,-0.3 0.331 122.4 92.9-101.6 7.2 2.3 33.0 68.1 264 265 A M E < -DE 261 273A 26 -3,-2.1 -3,-3.3 9,-0.1 2,-0.4 -0.770 61.4-150.7-102.3 146.1 1.9 34.1 64.5 265 266 A Y E -DE 260 272A 40 7,-3.4 7,-2.8 -2,-0.3 2,-0.5 -0.956 13.3-133.6-116.1 134.8 -0.9 36.4 63.3 266 267 A Q E +DE 259 271A 0 -7,-2.2 -8,-2.6 -2,-0.4 -7,-0.7 -0.758 29.1 169.1 -91.9 124.8 -2.2 36.2 59.7 267 268 A G - 0 0 0 3,-2.3 2,-1.0 -2,-0.5 -12,-0.2 -0.149 57.0 -62.9-107.8-153.8 -2.7 39.5 57.8 268 269 A L S S- 0 0 0 -14,-2.0 2,-1.8 -15,-0.1 -158,-0.1 -0.845 113.4 -33.5 -98.2 100.6 -3.4 39.9 54.1 269 270 A G S S+ 0 0 0 -2,-1.0 -202,-0.3 -160,-0.5 -203,-0.1 -0.413 128.0 89.0 85.8 -62.8 -0.3 38.4 52.6 270 271 A W - 0 0 0 -2,-1.8 -3,-2.3 -16,-0.3 2,-0.4 -0.317 64.6-153.3 -66.2 150.1 1.9 39.7 55.5 271 272 A E E -EF 266 313A 27 42,-1.7 42,-2.5 -5,-0.2 2,-0.3 -0.946 14.8-161.7-122.6 145.7 2.4 37.5 58.5 272 273 A M E -EF 265 312A 1 -7,-2.8 -7,-3.4 -2,-0.4 2,-0.3 -0.951 16.5-172.8-135.2 151.2 3.2 39.0 61.9 273 274 A L E -EF 264 311A 13 38,-2.0 38,-2.9 -2,-0.3 -9,-0.1 -0.955 41.1 -94.2-132.5 153.0 4.5 38.2 65.3 274 275 A N E - F 0 310A 72 -11,-0.5 36,-0.3 -2,-0.3 34,-0.0 -0.402 52.2-101.7 -67.5 146.0 4.6 40.4 68.4 275 276 A W S S+ 0 0 33 34,-2.2 2,-0.2 -2,-0.1 -1,-0.0 -0.960 97.4 46.4-117.3 137.0 7.8 42.3 69.0 276 277 A P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 35,-0.1 0.447 81.0 154.6 -70.9 166.0 10.1 41.8 70.8 277 278 A L - 0 0 27 -2,-0.2 2,-0.4 -4,-0.1 -2,-0.1 -0.896 41.7-107.2-148.5 174.9 10.6 38.1 70.1 278 279 A K >> - 0 0 171 -2,-0.3 3,-1.2 1,-0.1 4,-0.7 -0.890 32.5-115.3-112.2 144.5 13.3 35.5 70.2 279 280 A A H 3> S+ 0 0 22 -2,-0.4 4,-2.5 1,-0.2 3,-0.5 0.799 105.9 67.6 -45.9 -42.5 14.9 34.1 67.1 280 281 A D H 3>>S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 5,-0.5 0.858 92.7 59.6 -51.5 -42.0 13.6 30.5 67.5 281 282 A S H <>5S+ 0 0 40 -3,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.924 115.2 32.4 -55.4 -49.0 9.9 31.5 66.9 282 283 A I H X5S+ 0 0 3 -4,-0.7 4,-1.1 -3,-0.5 -1,-0.2 0.862 120.5 49.7 -79.7 -35.8 10.5 32.9 63.4 283 284 A I H ><5S+ 0 0 31 -4,-2.5 3,-0.7 2,-0.2 4,-0.5 0.973 118.6 38.0 -66.3 -53.2 13.4 30.6 62.4 284 285 A N H ><5S+ 0 0 83 -4,-2.6 3,-1.2 -5,-0.3 6,-0.3 0.871 112.6 59.7 -65.4 -35.2 11.5 27.4 63.4 285 286 A G H 3< S- 0 0 60 -3,-1.2 4,-2.7 -4,-0.5 3,-2.3 -0.467 82.3-122.2 -66.9 140.1 10.6 25.5 58.3 288 289 A S H 3> S+ 0 0 71 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.769 108.7 72.9 -55.6 -26.6 8.1 23.8 56.0 289 290 A K H 34 S+ 0 0 156 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.768 117.6 18.9 -59.5 -25.2 7.2 21.4 58.9 290 291 A V H X4 S+ 0 0 55 -3,-2.3 3,-1.2 -6,-0.3 -2,-0.2 0.783 123.2 55.1-108.3 -54.5 5.4 24.4 60.4 291 292 A A H 3< S+ 0 0 31 -4,-2.7 -142,-0.4 -6,-0.3 -3,-0.2 0.780 117.9 35.3 -53.6 -34.4 4.8 26.9 57.5 292 293 A L T 3< S+ 0 0 77 -4,-1.9 -1,-0.3 -5,-0.3 -3,-0.1 0.435 95.7 111.1-103.0 1.3 3.0 24.4 55.3 293 294 A A S < S- 0 0 29 -3,-1.2 2,-0.7 -5,-0.2 -144,-0.4 -0.387 74.6-113.8 -77.3 151.4 1.2 22.5 58.0 294 295 A A + 0 0 42 -146,-0.1 -146,-0.2 -2,-0.1 -1,-0.1 -0.759 48.3 176.8 -83.5 115.3 -2.6 22.6 58.6 295 296 A L E -N 147 0F 54 -148,-2.2 -148,-3.1 -2,-0.7 2,-0.0 -0.909 36.5 -93.0-125.7 152.3 -3.0 24.3 61.9 296 297 A P E -N 146 0F 80 0, 0.0 2,-0.5 0, 0.0 -150,-0.3 -0.365 39.5-146.0 -61.0 135.4 -5.9 25.5 64.1 297 298 A A - 0 0 13 -152,-2.1 2,-0.7 -153,-0.2 -36,-0.2 -0.925 4.2-154.1-109.1 126.2 -6.8 29.1 63.3 298 299 A V E -C 260 0A 69 -38,-2.3 -38,-2.5 -2,-0.5 2,-0.1 -0.895 23.2-127.2-100.8 117.3 -8.1 31.2 66.1 299 300 A E E -C 259 0A 112 -2,-0.7 2,-0.8 -40,-0.2 -40,-0.2 -0.370 9.7-149.3 -65.9 136.3 -10.3 34.0 64.8 300 301 A V E - 0 0 28 -42,-2.3 -1,-0.1 -2,-0.1 -2,-0.0 -0.922 25.7-150.7-107.1 102.3 -9.5 37.6 65.8 301 302 A N E S+ 0 0 129 -2,-0.8 -43,-0.1 1,-0.2 -2,-0.0 -0.963 83.1 20.4-129.9 118.1 -12.9 39.2 65.8 302 303 A P E S- 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -45,-0.1 0.584 110.8-113.0 -74.0 159.4 -12.9 42.0 65.2 303 304 A P E - 0 0 50 0, 0.0 -45,-0.2 0, 0.0 -2,-0.1 -0.280 29.8-115.4 -58.2 143.7 -9.5 42.0 63.5 304 305 A V E -C 257 0A 61 -47,-1.6 -47,-2.8 1,-0.1 3,-0.2 -0.703 32.8-116.5 -83.0 125.5 -6.9 43.9 65.5 305 306 A P - 0 0 95 0, 0.0 -49,-0.1 0, 0.0 -52,-0.1 -0.205 56.8 -57.6 -58.9 155.2 -5.6 46.9 63.5 306 307 A A - 0 0 29 -54,-0.4 2,-0.6 1,-0.1 -50,-0.2 0.006 55.8-142.5 -37.8 122.0 -1.9 46.9 62.5 307 308 A V - 0 0 39 -52,-0.5 23,-0.1 -3,-0.2 -1,-0.1 -0.828 5.4-155.7 -96.0 119.3 0.2 46.6 65.6 308 309 A K S S+ 0 0 132 -2,-0.6 2,-2.4 1,-0.2 22,-1.8 0.873 87.9 69.8 -61.4 -38.8 3.4 48.7 65.4 309 310 A A S S+ 0 0 32 20,-0.2 -34,-2.2 21,-0.1 2,-0.3 -0.435 84.9 112.1 -79.9 67.0 5.2 46.5 67.9 310 311 A S E -F 274 0A 1 -2,-2.4 2,-0.7 -36,-0.3 20,-0.3 -0.957 69.2-132.7-138.4 156.1 5.4 43.6 65.4 311 312 A W E -F 273 0A 1 -38,-2.9 -38,-2.0 -2,-0.3 2,-0.5 -0.969 35.3-167.8-105.3 113.1 7.9 41.7 63.4 312 313 A V E +FG 272 327A 0 15,-3.1 15,-2.5 -2,-0.7 2,-0.3 -0.919 19.7 147.1-107.3 129.0 6.2 41.7 59.9 313 314 A H E -FG 271 326A 14 -42,-2.5 -42,-1.7 -2,-0.5 2,-0.3 -0.960 30.6-162.5-157.1 171.4 7.6 39.4 57.3 314 315 A K E - G 0 325A 3 11,-2.1 11,-1.9 -2,-0.3 2,-0.3 -0.912 10.7-150.1-162.5 135.0 7.2 37.1 54.3 315 316 A T E - G 0 324A 30 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.690 18.4-176.2 -99.6 157.3 9.3 34.4 52.6 316 317 A G E + G 0 323A 3 7,-1.9 7,-3.2 -2,-0.3 2,-0.3 -0.966 6.1 173.9-157.7 139.8 9.1 33.6 48.9 317 318 A S E + G 0 322A 43 -2,-0.3 -254,-0.3 5,-0.2 2,-0.2 -0.993 9.9 178.4-146.4 151.3 10.6 31.1 46.5 318 319 A T - 0 0 17 3,-2.0 3,-0.2 -2,-0.3 -2,-0.0 -0.700 58.9 -80.0-131.2-174.0 10.5 30.0 42.9 319 320 A G S S+ 0 0 34 -2,-0.2 23,-0.4 1,-0.2 -110,-0.1 0.865 129.5 22.4 -61.8 -33.7 12.5 27.3 41.3 320 321 A G S S+ 0 0 1 21,-0.1 -118,-1.6 -119,-0.1 2,-0.3 0.416 116.6 63.4-116.2 6.3 15.6 29.5 41.0 321 322 A F - 0 0 0 -120,-0.2 -3,-2.0 20,-0.2 2,-0.4 -0.956 48.9-167.0-134.9 150.7 15.1 32.3 43.5 322 323 A G E +GH 317 339A 0 17,-2.0 17,-1.3 19,-0.4 2,-0.3 -0.987 17.8 174.7-136.1 124.5 14.8 32.7 47.3 323 324 A S E -GH 316 338A 0 -7,-3.2 -7,-1.9 -2,-0.4 2,-0.3 -0.883 10.8-177.6-129.2 159.9 13.6 36.0 48.9 324 325 A Y E -GH 315 337A 0 13,-1.7 13,-2.9 -2,-0.3 2,-0.4 -0.958 1.4-174.9-157.0 136.7 12.8 37.2 52.4 325 326 A V E +GH 314 336A 0 -11,-1.9 -11,-2.1 -2,-0.3 2,-0.3 -0.999 11.4 165.0-135.3 135.9 11.5 40.6 53.7 326 327 A A E +GH 313 335A 0 9,-2.3 9,-2.9 -2,-0.4 2,-0.3 -0.991 4.2 171.6-151.5 142.7 11.0 41.6 57.3 327 328 A F E -GH 312 334A 0 -15,-2.5 -15,-3.1 -2,-0.3 7,-0.3 -0.992 24.8-146.4-151.5 157.6 10.4 44.8 59.2 328 329 A V E >>> - H 0 333A 0 5,-2.9 5,-1.5 -2,-0.3 3,-1.2 -0.920 10.1-163.9-126.3 99.7 9.6 46.1 62.7 329 330 A P G >45S+ 0 0 16 0, 0.0 3,-0.6 0, 0.0 -20,-0.2 0.858 87.8 61.2 -52.4 -41.0 7.5 49.3 62.5 330 331 A E G 345S+ 0 0 97 -22,-1.8 -21,-0.1 -20,-0.3 -22,-0.1 0.842 115.3 33.8 -56.0 -34.6 8.2 50.2 66.2 331 332 A K G <45S- 0 0 75 -3,-1.2 -297,-0.5 -23,-0.2 -1,-0.2 0.477 100.4-127.8-101.4 -5.6 11.9 50.5 65.3 332 333 A N T <<5 + 0 0 60 -4,-1.0 -297,-2.1 -3,-0.6 2,-0.4 0.905 67.9 136.1 55.7 41.4 11.6 51.8 61.7 333 334 A L E < + H 0 328A 3 -5,-1.5 -5,-2.9 -300,-0.2 2,-0.3 -0.935 23.2 149.1-122.7 141.1 13.9 48.9 60.9 334 335 A G E -BH 32 327A 0 -302,-2.3 -302,-2.7 -2,-0.4 2,-0.3 -0.993 24.3-150.5-165.0 168.4 13.7 46.4 58.1 335 336 A I E -BH 31 326A 1 -9,-2.9 -9,-2.3 -2,-0.3 2,-0.4 -0.998 3.2-162.5-150.5 146.4 15.5 44.2 55.6 336 337 A V E -BH 30 325A 1 -306,-2.3 -306,-1.9 -2,-0.3 2,-0.5 -1.000 9.9-171.2-127.2 127.6 15.1 42.8 52.1 337 338 A M E -BH 29 324A 0 -13,-2.9 -13,-1.7 -2,-0.4 2,-0.5 -0.952 6.2-179.8-124.7 109.9 17.1 39.8 51.0 338 339 A L E +BH 28 323A 0 -310,-3.0 -310,-2.2 -2,-0.5 2,-0.3 -0.935 5.4 173.0-112.1 130.5 16.9 38.8 47.3 339 340 A A E -BH 27 322A 0 -17,-1.3 -17,-2.0 -2,-0.5 -312,-0.2 -0.996 35.4-139.0-138.0 143.2 18.9 35.8 46.0 340 341 A N S S+ 0 0 0 -314,-2.0 -138,-1.3 -2,-0.3 2,-0.3 -0.163 89.3 60.4 -95.7 42.6 19.0 34.1 42.6 341 342 A K B S-p 202 0G 55 -2,-0.2 2,-0.4 -140,-0.2 -19,-0.4 -0.908 85.1-122.4-158.1 135.5 19.1 30.6 44.2 342 343 A S + 0 0 32 -140,-0.5 -20,-0.1 -23,-0.4 -25,-0.1 -0.723 39.2 169.9 -83.8 130.9 16.5 29.1 46.4 343 344 A Y - 0 0 4 -2,-0.4 5,-0.1 -4,-0.1 -2,-0.0 -0.943 45.5 -58.4-136.8 158.3 17.9 28.1 49.8 344 345 A P >> - 0 0 71 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.008 40.9-135.1 -40.6 128.5 16.3 26.9 53.1 345 346 A N H 3> S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 104.3 56.2 -55.0 -42.8 13.8 29.4 54.6 346 347 A P H 3> S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.824 104.7 53.8 -61.4 -29.2 15.2 29.0 58.1 347 348 A V H <> S+ 0 0 42 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.885 109.3 48.8 -70.1 -38.9 18.7 29.9 56.8 348 349 A R H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.940 113.3 45.7 -63.9 -49.6 17.2 33.1 55.3 349 350 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.919 111.8 50.8 -62.5 -44.6 15.4 34.0 58.5 350 351 A E H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.912 111.5 48.8 -61.3 -41.4 18.4 33.3 60.8 351 352 A A H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.923 111.7 48.8 -64.2 -44.5 20.6 35.5 58.6 352 353 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.913 111.4 51.1 -61.3 -42.5 18.1 38.3 58.6 353 354 A W H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 107.1 51.8 -62.3 -44.5 17.9 38.0 62.4 354 355 A R H X S+ 0 0 89 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.880 113.1 46.8 -60.7 -38.1 21.6 38.2 62.9 355 356 A I H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 4,-0.2 0.957 114.8 42.6 -69.7 -51.5 21.8 41.3 60.8 356 357 A L H >< S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.799 104.8 65.3 -68.0 -26.5 18.9 43.2 62.4 357 358 A E H >< S+ 0 0 114 -4,-2.3 3,-0.6 1,-0.3 -1,-0.3 0.781 102.6 50.0 -65.1 -24.5 20.0 42.2 65.9 358 359 A K T << S+ 0 0 97 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.450 106.2 56.7 -91.7 -0.8 23.1 44.3 65.3 359 360 A L T < 0 0 3 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.005 360.0 360.0-117.9 27.0 21.1 47.3 64.2 360 361 A Q < 0 0 101 -3,-0.6 -3,-0.0 -27,-0.0 -29,-0.0 -0.181 360.0 360.0 -75.8 360.0 18.9 47.7 67.3