==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-05 2C3S . COMPND 2 MOLECULE: SARS COV 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR T.XU,A.OOI,H.-C.LEE,J.LESCAR . 301 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 22.3 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 2 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 4 1 1 3 0 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 0 0 0 0 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 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 1 A S 0 0 94 0, 0.0 3,-0.3 0, 0.0 282,-0.2 0.000 360.0 360.0 360.0 114.5 -4.8 27.8 26.2 2 2 A G + 0 0 53 280,-0.6 2,-0.3 1,-0.3 281,-0.2 0.776 360.0 27.9 -66.6 -24.5 -4.3 31.5 26.6 3 3 A F S S- 0 0 19 279,-0.6 -1,-0.3 2,-0.0 2,-0.2 -0.856 84.5-151.7-142.7 102.9 -1.3 31.2 24.2 4 4 A R - 0 0 173 -2,-0.3 2,-0.3 -3,-0.3 -2,-0.0 -0.513 18.9-118.3 -81.8 140.9 -1.4 28.3 21.6 5 5 A K - 0 0 76 -2,-0.2 2,-0.4 122,-0.1 -1,-0.1 -0.562 36.8-152.4 -71.4 131.7 1.6 26.6 20.2 6 6 A M - 0 0 74 -2,-0.3 2,-0.2 120,-0.1 120,-0.1 -0.942 9.4-155.5-119.7 132.2 1.6 27.3 16.4 7 7 A A - 0 0 31 -2,-0.4 120,-0.1 118,-0.1 3,-0.1 -0.611 29.7-105.1 -96.1 157.9 3.0 25.2 13.6 8 8 A F - 0 0 23 142,-0.2 2,-0.1 -2,-0.2 -1,-0.1 -0.457 49.2 -87.8 -76.9 154.8 4.0 26.5 10.2 9 9 A P - 0 0 101 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.480 39.5-152.8 -63.3 136.3 1.7 25.8 7.3 10 10 A S >> + 0 0 21 1,-0.2 4,-2.4 -2,-0.1 3,-1.2 0.454 62.7 105.9 -94.7 -3.8 2.8 22.4 5.9 11 11 A G H 3> S+ 0 0 49 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.852 79.6 51.1 -43.5 -50.0 1.7 22.6 2.2 12 12 A K H 34 S+ 0 0 93 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.810 115.5 42.6 -62.4 -30.2 5.2 23.1 0.8 13 13 A V H X4 S+ 0 0 0 -3,-1.2 3,-2.1 1,-0.1 4,-0.4 0.810 102.2 67.6 -85.7 -32.6 6.6 20.1 2.7 14 14 A E H >< S+ 0 0 85 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.893 94.7 57.2 -54.1 -44.5 3.6 17.8 2.0 15 15 A G T 3< S+ 0 0 22 -4,-1.3 82,-0.3 1,-0.2 -1,-0.3 0.461 103.6 56.7 -69.2 2.0 4.4 17.7 -1.7 16 16 A C T < S+ 0 0 0 -3,-2.1 15,-3.4 81,-0.1 2,-0.4 0.465 79.9 107.5-109.8 -6.0 7.9 16.4 -0.8 17 17 A M E < +A 30 0A 12 -3,-1.5 2,-0.3 -4,-0.4 13,-0.2 -0.619 39.0 161.5 -84.9 128.6 7.0 13.3 1.2 18 18 A V E -A 29 0A 1 11,-2.5 11,-2.9 -2,-0.4 2,-0.4 -0.830 35.5-111.5-134.9 172.2 7.5 9.8 -0.2 19 19 A Q E -AB 28 69A 32 50,-2.6 50,-2.7 -2,-0.3 2,-0.4 -0.905 24.0-167.2-110.7 136.0 7.8 6.2 1.0 20 20 A V E -AB 27 68A 0 7,-2.7 7,-2.5 -2,-0.4 2,-0.4 -0.992 7.1-173.9-125.6 127.5 11.0 4.2 0.8 21 21 A T E +AB 26 67A 24 46,-2.0 46,-2.5 -2,-0.4 2,-0.3 -0.933 15.4 172.6-124.0 145.7 11.1 0.5 1.4 22 22 A C E > -A 25 0A 8 3,-2.7 3,-1.4 -2,-0.4 2,-0.3 -0.797 69.6 -48.6-150.0 97.5 14.0 -2.0 1.7 23 23 A G T 3 S- 0 0 69 -2,-0.3 -1,-0.1 1,-0.3 20,-0.0 -0.539 122.9 -15.2 75.2-133.7 12.9 -5.5 2.7 24 24 A T T 3 S+ 0 0 150 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.560 119.7 95.6 -81.0 -8.4 10.6 -5.5 5.7 25 25 A T E < +A 22 0A 39 -3,-1.4 -3,-2.7 17,-0.2 2,-0.4 -0.746 47.2 170.7 -92.8 125.2 11.6 -1.9 6.5 26 26 A T E +A 21 0A 38 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.999 11.2 147.5-132.1 130.8 9.5 0.9 5.3 27 27 A L E -A 20 0A 3 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.2 -0.867 44.4 -71.5-149.5-178.1 9.9 4.6 6.3 28 28 A N E -A 19 0A 0 117,-2.5 2,-0.3 -2,-0.3 -9,-0.2 -0.559 38.6-170.4 -87.1 148.0 9.5 8.2 5.1 29 29 A G E -A 18 0A 0 -11,-2.9 -11,-2.5 -2,-0.2 2,-0.6 -0.923 20.0-129.8-132.4 158.9 11.7 10.0 2.5 30 30 A L E -AC 17 37A 0 7,-2.6 7,-2.5 -2,-0.3 2,-0.7 -0.942 18.4-159.1-114.6 116.2 12.1 13.6 1.3 31 31 A W E + C 0 36A 19 -15,-3.4 2,-0.4 -2,-0.6 5,-0.2 -0.848 19.5 165.0-101.5 109.2 12.0 14.1 -2.4 32 32 A L E > - C 0 35A 1 3,-2.4 3,-2.0 -2,-0.7 2,-0.1 -0.996 66.5 -39.1-124.9 123.7 13.6 17.3 -3.6 33 33 A D T 3 S- 0 0 66 -2,-0.4 62,-2.9 62,-0.4 64,-0.1 -0.392 125.2 -26.5 57.7-128.7 14.4 17.7 -7.3 34 34 A D T 3 S+ 0 0 65 60,-0.3 57,-2.5 -2,-0.1 2,-0.4 -0.038 121.0 89.3-107.0 33.0 15.7 14.3 -8.4 35 35 A T E < -CD 32 90A 5 -3,-2.0 -3,-2.4 55,-0.2 2,-0.5 -0.990 55.2-159.0-132.4 136.8 17.0 13.2 -5.0 36 36 A V E -CD 31 89A 0 53,-2.8 53,-2.9 -2,-0.4 2,-0.4 -0.967 11.8-160.9-116.1 122.2 15.3 11.3 -2.1 37 37 A Y E +CD 30 88A 12 -7,-2.5 -7,-2.6 -2,-0.5 51,-0.2 -0.849 22.1 150.4-103.5 138.8 16.8 11.6 1.3 38 38 A C E - D 0 87A 0 49,-1.5 49,-3.2 -2,-0.4 -9,-0.1 -0.975 53.5 -72.6-158.2 162.7 16.0 9.1 4.1 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.4 0, 0.0 47,-0.2 -0.375 38.9-135.4 -59.4 136.8 17.6 7.5 7.2 40 40 A R G > S+ 0 0 34 45,-2.4 3,-2.0 1,-0.3 46,-0.1 0.721 96.6 80.0 -68.5 -17.3 20.3 5.1 6.1 41 41 A H G > + 0 0 21 44,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.537 66.7 88.2 -69.7 -0.5 19.0 2.6 8.7 42 42 A V G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 -17,-0.2 0.763 83.8 57.6 -65.5 -22.4 16.3 1.7 6.1 43 43 A I G < S+ 0 0 5 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.3 0.512 94.0 92.9 -85.6 -3.0 18.9 -0.8 4.8 44 44 A C < - 0 0 4 -3,-1.6 2,-0.2 -4,-0.1 -22,-0.1 -0.678 64.5-144.6 -97.8 146.4 19.1 -2.5 8.2 45 45 A T > - 0 0 71 -2,-0.3 4,-2.0 1,-0.1 -2,-0.0 -0.545 42.4 -95.5 -94.6 165.8 17.2 -5.4 9.6 46 46 A A T 4 S+ 0 0 96 1,-0.2 4,-0.4 -2,-0.2 143,-0.1 0.849 130.0 45.8 -52.0 -34.5 16.3 -5.5 13.3 47 47 A E T >> S+ 0 0 171 1,-0.2 3,-1.3 2,-0.2 4,-0.7 0.891 105.3 57.5 -77.0 -40.9 19.4 -7.6 13.8 48 48 A D G >4 S+ 0 0 48 1,-0.3 3,-0.8 2,-0.2 -2,-0.2 0.858 98.6 65.7 -56.2 -34.4 21.7 -5.4 11.7 49 49 A M G 3< S+ 0 0 29 -4,-2.0 140,-2.8 1,-0.2 -1,-0.3 0.750 84.8 69.1 -60.2 -29.6 20.7 -2.5 14.1 50 50 A L G <4 S- 0 0 107 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.916 131.7 -9.8 -57.4 -42.8 22.3 -4.1 17.1 51 51 A N S << S- 0 0 137 -3,-0.8 -1,-0.3 -4,-0.7 2,-0.2 -0.547 83.9-170.1-158.9 82.2 25.7 -3.3 15.5 52 52 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.521 20.2-159.7 -83.9 145.3 25.5 -2.2 11.9 53 53 A N > - 0 0 88 -2,-0.2 4,-2.7 1,-0.2 3,-0.4 -0.827 18.3-175.8-118.0 83.0 28.5 -1.8 9.4 54 54 A Y H > S+ 0 0 6 -2,-0.6 4,-3.2 1,-0.2 5,-0.3 0.851 76.6 54.4 -51.8 -47.4 26.7 0.5 7.0 55 55 A E H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.910 116.7 41.5 -55.3 -41.1 29.5 0.8 4.4 56 56 A D H > S+ 0 0 100 -3,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.857 113.8 50.4 -74.6 -39.1 29.4 -3.0 4.2 57 57 A L H < S+ 0 0 31 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.874 110.5 51.5 -67.7 -35.4 25.6 -3.3 4.4 58 58 A L H >< S+ 0 0 17 -4,-3.2 3,-2.5 -5,-0.2 -2,-0.2 0.878 98.6 63.3 -69.8 -38.2 25.3 -0.8 1.6 59 59 A I H 3< S+ 0 0 136 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.873 99.5 56.4 -53.2 -37.9 27.7 -2.6 -0.7 60 60 A R T 3< S+ 0 0 80 -4,-1.0 -1,-0.3 -3,-0.2 2,-0.2 0.498 98.5 82.5 -73.5 -4.6 25.3 -5.6 -0.7 61 61 A K < - 0 0 58 -3,-2.5 2,-0.3 -4,-0.1 19,-0.1 -0.605 58.1-168.2-100.6 162.4 22.5 -3.3 -2.0 62 62 A S > - 0 0 48 -2,-0.2 3,-2.4 1,-0.1 4,-0.3 -0.898 41.8 -95.5-140.0 166.9 21.7 -2.1 -5.5 63 63 A N G > S+ 0 0 53 1,-0.3 3,-1.8 -2,-0.3 14,-0.2 0.901 124.8 56.2 -52.5 -43.6 19.4 0.5 -7.0 64 64 A H G 3 S+ 0 0 168 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.535 92.2 74.3 -68.5 -3.1 16.7 -2.1 -7.6 65 65 A S G < S+ 0 0 38 -3,-2.4 2,-0.5 -43,-0.1 -1,-0.3 0.608 86.2 72.9 -83.6 -12.9 16.9 -2.8 -3.8 66 66 A F < - 0 0 8 -3,-1.8 2,-0.7 -4,-0.3 11,-0.4 -0.908 64.2-161.4-109.8 125.9 15.1 0.4 -3.0 67 67 A L E -B 21 0A 75 -46,-2.5 -46,-2.0 -2,-0.5 2,-0.5 -0.881 12.3-175.3-108.6 103.8 11.4 0.9 -3.6 68 68 A V E -BE 20 75A 0 -2,-0.7 7,-3.3 7,-0.7 2,-0.5 -0.868 1.0-176.4-102.2 124.4 10.4 4.6 -3.6 69 69 A Q E -BE 19 74A 52 -50,-2.7 -50,-2.6 -2,-0.5 2,-0.8 -0.973 13.5-166.9-127.8 121.7 6.8 5.5 -3.9 70 70 A A E > S- E 0 73A 21 3,-3.0 3,-1.8 -2,-0.5 2,-0.8 -0.877 73.3 -50.2-105.4 98.7 5.4 9.0 -4.2 71 71 A G T 3 S- 0 0 61 -2,-0.8 -52,-0.0 1,-0.3 -2,-0.0 -0.652 123.0 -23.7 76.4-110.4 1.7 8.7 -3.6 72 72 A N T 3 S+ 0 0 158 -2,-0.8 2,-0.5 2,-0.1 -1,-0.3 0.441 121.2 93.8-111.5 -7.4 0.6 6.0 -6.0 73 73 A V E < -E 70 0A 92 -3,-1.8 -3,-3.0 1,-0.0 2,-0.3 -0.775 67.6-141.3 -95.5 127.0 3.5 6.4 -8.4 74 74 A Q E -E 69 0A 134 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.667 18.1-147.1 -82.7 136.0 6.7 4.3 -8.0 75 75 A L E -E 68 0A 15 -7,-3.3 2,-0.7 -2,-0.3 -7,-0.7 -0.773 13.4-121.3-103.2 151.0 9.9 6.2 -8.7 76 76 A R - 0 0 46 -2,-0.3 16,-2.1 -9,-0.1 2,-0.6 -0.828 17.6-146.9 -97.8 116.3 12.9 4.7 -10.3 77 77 A V E +F 91 0A 18 -2,-0.7 14,-0.3 -11,-0.4 -11,-0.1 -0.706 19.0 177.1 -82.1 121.1 16.1 4.9 -8.2 78 78 A I E + 0 0 99 12,-2.7 2,-0.2 -2,-0.6 13,-0.2 0.135 65.0 9.6-110.1 17.8 19.1 5.2 -10.6 79 79 A G E -F 90 0A 19 11,-0.8 11,-2.3 -16,-0.1 2,-0.3 -0.843 56.7-157.8 172.6 149.5 21.7 5.6 -7.9 80 80 A H E +F 89 0A 58 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.996 17.2 161.1-145.0 136.6 22.4 5.3 -4.2 81 81 A S E -F 88 0A 56 7,-1.9 7,-3.4 -2,-0.3 2,-0.4 -0.969 33.7-113.7-149.5 161.9 25.1 6.8 -1.9 82 82 A M E -F 87 0A 55 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.855 19.7-175.0-106.6 134.8 25.7 7.5 1.7 83 83 A Q E > -F 86 0A 41 3,-2.9 3,-2.6 -2,-0.4 -43,-0.1 -0.883 65.2 -66.7-127.8 94.2 25.9 11.0 3.2 84 84 A N T 3 S- 0 0 90 -2,-0.5 96,-0.2 1,-0.3 95,-0.2 -0.401 119.2 -14.0 56.3-125.0 26.8 10.6 6.9 85 85 A C T 3 S+ 0 0 16 94,-2.3 -45,-2.4 -3,-0.1 -44,-0.4 0.324 123.4 88.0 -90.7 11.5 23.7 9.0 8.4 86 86 A L E < -DF 39 83A 0 -3,-2.6 -3,-2.9 -47,-0.2 2,-0.5 -0.802 69.3-136.9-109.5 151.9 21.5 9.7 5.4 87 87 A L E -DF 38 82A 1 -49,-3.2 -49,-1.5 -2,-0.3 2,-0.7 -0.915 17.0-153.6-102.7 126.6 20.9 7.6 2.3 88 88 A R E -DF 37 81A 61 -7,-3.4 -7,-1.9 -2,-0.5 2,-0.6 -0.917 11.1-168.0-105.2 110.0 20.9 9.7 -0.8 89 89 A L E -DF 36 80A 0 -53,-2.9 -53,-2.8 -2,-0.7 2,-0.4 -0.891 10.4-148.4-103.6 117.2 18.8 8.0 -3.5 90 90 A K E -DF 35 79A 74 -11,-2.3 -12,-2.7 -2,-0.6 -11,-0.8 -0.690 20.2-164.9 -82.6 128.8 19.1 9.5 -7.0 91 91 A V E - F 0 77A 1 -57,-2.5 -14,-0.2 -2,-0.4 -16,-0.0 -0.801 28.7-126.4-115.9 159.7 15.8 9.1 -9.0 92 92 A D S S+ 0 0 94 -16,-2.1 2,-0.4 -2,-0.3 -15,-0.1 0.491 92.3 63.9 -80.5 -4.9 14.9 9.4 -12.7 93 93 A T S S- 0 0 60 -17,-0.2 2,-0.4 -60,-0.1 -2,-0.1 -0.979 75.8-137.2-125.2 133.6 12.1 11.9 -12.0 94 94 A S - 0 0 67 -2,-0.4 -60,-0.3 -60,-0.1 -61,-0.1 -0.708 33.7-107.6 -86.9 135.0 12.5 15.5 -10.6 95 95 A N > - 0 0 8 -62,-2.9 3,-1.6 -2,-0.4 -62,-0.4 -0.481 24.3-158.4 -66.2 113.3 9.8 16.4 -8.0 96 96 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -81,-0.0 0.636 91.3 54.3 -67.5 -13.2 7.5 18.9 -9.8 97 97 A K T 3 S+ 0 0 152 -82,-0.3 -82,-0.1 -64,-0.1 -2,-0.1 0.239 73.6 140.0-104.4 13.1 6.4 20.2 -6.4 98 98 A T < - 0 0 35 -3,-1.6 -66,-0.1 1,-0.1 -85,-0.1 -0.369 41.3-150.1 -58.7 121.8 9.9 21.0 -5.1 99 99 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 57,-0.1 -0.290 30.3 -81.9 -87.7 177.7 9.7 24.3 -3.2 100 100 A K E S+g 156 0B 116 55,-0.5 57,-2.4 -2,-0.1 2,-0.3 -0.665 71.6 165.0 -73.6 135.6 12.4 26.9 -2.7 101 101 A Y E -g 157 0B 66 -2,-0.3 2,-0.3 55,-0.2 57,-0.2 -0.977 34.1-161.2-154.7 167.4 14.4 25.5 0.2 102 102 A K E -g 158 0B 119 55,-2.4 57,-2.6 -2,-0.3 2,-0.5 -0.956 24.0-126.1-144.1 157.2 17.6 25.4 2.3 103 103 A F E +g 159 0B 61 -2,-0.3 2,-0.4 55,-0.2 57,-0.2 -0.951 36.3 177.8-107.6 124.5 19.2 22.9 4.7 104 104 A V - 0 0 58 55,-3.0 2,-0.6 -2,-0.5 73,-0.2 -0.977 26.6-141.3-131.0 143.8 19.9 24.5 8.1 105 105 A R - 0 0 110 -2,-0.4 2,-0.1 71,-0.1 56,-0.1 -0.902 26.1-150.8-103.7 117.1 21.3 23.1 11.3 106 106 A I - 0 0 11 -2,-0.6 3,-0.1 54,-0.4 6,-0.0 -0.370 9.9-119.8 -84.7 166.2 19.5 24.6 14.3 107 107 A Q > - 0 0 135 1,-0.1 3,-2.1 -2,-0.1 23,-0.3 -0.649 42.9 -79.4-100.9 159.5 20.9 25.2 17.8 108 108 A P T 3 S+ 0 0 67 0, 0.0 23,-0.2 0, 0.0 -1,-0.1 -0.286 119.0 28.3 -56.7 140.8 19.7 23.6 21.1 109 109 A G T 3 S+ 0 0 7 21,-3.3 22,-0.1 1,-0.3 2,-0.1 0.182 91.4 122.8 93.6 -19.5 16.5 25.4 22.3 110 110 A Q < - 0 0 69 -3,-2.1 20,-2.7 21,-0.1 -1,-0.3 -0.423 53.6-132.8 -76.1 154.7 15.4 26.4 18.8 111 111 A T E +H 129 0B 6 18,-0.2 2,-0.3 -2,-0.1 18,-0.2 -0.645 26.8 164.9-109.0 164.6 12.0 25.4 17.6 112 112 A F E -H 128 0B 0 16,-2.5 16,-3.1 -2,-0.2 2,-0.3 -0.973 34.0-106.0-167.2 163.2 10.6 23.9 14.4 113 113 A S E -HI 127 150B 0 37,-2.9 37,-2.9 -2,-0.3 2,-0.5 -0.758 26.5-150.9 -98.0 146.5 7.5 22.2 13.0 114 114 A V E -HI 126 149B 3 12,-3.4 12,-2.6 -2,-0.3 2,-1.1 -0.978 6.9-151.8-120.7 127.7 7.4 18.5 12.2 115 115 A L E -HI 125 148B 3 33,-1.9 33,-0.6 -2,-0.5 2,-0.4 -0.830 23.6-150.9 -95.4 95.4 5.2 17.0 9.5 116 116 A A E -H 124 0B 2 8,-1.8 7,-3.1 -2,-1.1 8,-1.5 -0.552 20.8-179.9 -72.0 125.8 4.7 13.6 10.9 117 117 A C E -H 122 0B 0 -2,-0.4 2,-0.4 27,-0.3 30,-0.2 -0.916 18.9-157.7-127.8 155.4 4.2 11.0 8.2 118 118 A Y E > S-H 121 0B 51 3,-1.9 3,-1.5 -2,-0.3 26,-0.1 -0.993 77.8 -12.6-135.7 124.9 3.5 7.3 8.1 119 119 A N T 3 S- 0 0 92 24,-0.8 -100,-0.2 -2,-0.4 -1,-0.1 0.799 130.9 -50.0 56.4 32.5 4.3 5.1 5.1 120 120 A G T 3 S+ 0 0 13 23,-0.3 -1,-0.3 -102,-0.3 -49,-0.2 0.403 114.8 101.7 92.5 -2.3 4.8 8.1 2.9 121 121 A S E < S-H 118 0B 71 -3,-1.5 -3,-1.9 -103,-0.1 -1,-0.2 -0.955 74.7-107.6-122.6 136.2 1.7 10.2 3.6 122 122 A P E +H 117 0B 55 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.273 34.3 173.4 -57.2 133.6 1.3 13.2 5.9 123 123 A S E - 0 0 83 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.777 57.5 -33.9-108.1 -48.7 -0.6 12.6 9.1 124 124 A G E -H 116 0B 26 -8,-1.5 -8,-1.8 2,-0.0 2,-0.4 -0.981 50.7-111.1-165.8 172.4 -0.3 15.8 11.1 125 125 A V E -H 115 0B 61 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.969 28.8-175.5-121.4 131.4 1.8 18.8 12.0 126 126 A Y E -H 114 0B 129 -12,-2.6 -12,-3.4 -2,-0.4 2,-0.5 -0.937 18.6-139.5-124.0 148.1 3.4 19.4 15.4 127 127 A Q E +H 113 0B 22 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.890 38.5 151.4-104.9 132.2 5.4 22.3 16.7 128 128 A C E -H 112 0B 10 -16,-3.1 -16,-2.5 -2,-0.5 2,-0.3 -0.889 33.6-120.4-149.4-177.1 8.4 21.4 18.9 129 129 A A E -H 111 0B 0 -2,-0.3 2,-0.7 -18,-0.2 8,-0.5 -0.950 25.4-113.5-133.6 153.4 11.8 22.3 20.2 130 130 A M - 0 0 1 -20,-2.7 -21,-3.3 -2,-0.3 6,-0.2 -0.749 43.6-130.5 -81.4 115.4 15.3 20.9 20.1 131 131 A R > - 0 0 6 4,-2.6 3,-1.9 -2,-0.7 -21,-0.1 -0.195 18.8-110.4 -64.6 158.2 16.0 20.1 23.8 132 132 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 67,-0.1 0.847 121.3 56.1 -60.0 -28.9 19.3 21.3 25.4 133 133 A N T 3 S- 0 0 23 65,-0.2 62,-0.4 62,-0.1 -2,-0.1 0.167 122.7-107.8 -88.1 19.3 20.4 17.7 25.5 134 134 A H S < S+ 0 0 63 -3,-1.9 40,-0.3 1,-0.2 2,-0.2 0.639 81.6 113.4 67.4 20.8 19.8 17.4 21.8 135 135 A T - 0 0 4 38,-0.1 -4,-2.6 48,-0.0 2,-0.4 -0.615 59.3-127.6-112.7 174.5 16.7 15.2 21.9 136 136 A I B -J 172 0B 2 36,-1.9 36,-2.3 -2,-0.2 2,-0.3 -0.984 16.8-137.2-125.3 136.9 13.0 15.9 20.8 137 137 A K + 0 0 125 -8,-0.5 2,-0.3 -2,-0.4 -8,-0.2 -0.737 57.4 68.8 -94.7 141.6 10.0 15.3 23.1 138 138 A G S S- 0 0 47 -2,-0.3 2,-0.3 32,-0.2 -2,-0.0 -0.993 79.4 -69.7 155.9-150.0 6.8 13.7 21.7 139 139 A S - 0 0 108 -2,-0.3 2,-0.4 32,-0.0 32,-0.1 -0.856 37.9-177.8-150.1 109.4 5.5 10.4 20.4 140 140 A F - 0 0 28 -2,-0.3 2,-0.1 30,-0.2 3,-0.1 -0.904 15.1-144.9-110.5 136.2 6.5 8.8 17.1 141 141 A L > - 0 0 119 -2,-0.4 3,-2.4 1,-0.1 4,-0.3 -0.446 39.4 -70.5 -95.0 169.0 5.1 5.5 15.8 142 142 A N T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.1 -115,-0.0 -0.399 125.5 25.6 -59.7 117.6 6.7 2.7 13.8 143 143 A G T 3 S+ 0 0 13 -2,-0.3 -24,-0.8 -25,-0.1 -23,-0.3 0.379 89.6 106.5 106.7 -2.0 7.3 4.1 10.3 144 144 A S X + 0 0 2 -3,-2.4 3,-1.9 -26,-0.1 -27,-0.3 0.624 48.0 112.2 -82.1 -15.6 7.5 7.7 11.4 145 145 A C T 3 S+ 0 0 23 -4,-0.3 -117,-2.5 1,-0.2 19,-0.2 -0.271 70.3 39.9 -54.6 145.0 11.3 7.7 10.9 146 146 A G T 3 S+ 0 0 0 17,-3.1 -1,-0.2 1,-0.4 18,-0.1 0.200 79.4 132.3 98.4 -18.5 12.1 10.0 8.0 147 147 A S < - 0 0 0 -3,-1.9 16,-2.9 -30,-0.2 -1,-0.4 -0.383 49.7-134.3 -64.5 148.7 9.6 12.7 8.9 148 148 A V E -IK 115 162B 0 -33,-0.6 -33,-1.9 14,-0.2 2,-0.4 -0.755 9.3-141.2-114.6 157.7 11.2 16.1 8.8 149 149 A G E +IK 114 161B 0 12,-2.7 11,-2.2 -2,-0.3 12,-1.5 -0.859 33.0 164.2-108.3 146.7 11.3 19.2 10.9 150 150 A F E -IK 113 159B 0 -37,-2.9 -37,-2.9 -2,-0.4 2,-0.3 -0.982 31.1-146.8-158.2 168.3 11.3 22.6 9.3 151 151 A N E - K 0 158B 28 7,-2.0 7,-3.3 -2,-0.3 2,-0.4 -0.947 21.7-137.4-135.2 150.3 10.8 26.4 9.5 152 152 A I E - K 0 157B 25 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.951 11.4-169.6-116.8 134.7 9.4 28.7 6.8 153 153 A D E > - K 0 156B 84 3,-2.7 2,-1.6 -2,-0.4 3,-1.3 -0.760 67.3 -65.6-123.0 81.8 10.9 32.1 6.0 154 154 A Y T 3 S- 0 0 95 -2,-0.5 3,-0.0 1,-0.3 -2,-0.0 -0.585 121.9 -11.7 77.4 -86.6 8.3 33.7 3.7 155 155 A D T 3 S+ 0 0 83 -2,-1.6 -55,-0.5 -56,-0.0 2,-0.5 0.340 118.4 91.4-125.8 1.4 8.5 31.4 0.7 156 156 A C E < -gK 100 153B 2 -3,-1.3 -3,-2.7 -57,-0.1 2,-0.6 -0.872 63.9-144.9-105.6 129.1 11.6 29.4 1.6 157 157 A V E -gK 101 152B 0 -57,-2.4 -55,-2.4 -2,-0.5 2,-0.8 -0.815 9.6-159.2 -92.1 122.2 11.4 26.1 3.5 158 158 A S E -gK 102 151B 11 -7,-3.3 -7,-2.0 -2,-0.6 2,-0.4 -0.883 8.1-156.0-102.2 104.7 14.4 25.7 5.8 159 159 A F E +gK 103 150B 0 -57,-2.6 -55,-3.0 -2,-0.8 18,-0.3 -0.675 24.9 161.1 -79.9 132.7 14.7 22.0 6.6 160 160 A C E + 0 0 0 -11,-2.2 -54,-0.4 -2,-0.4 2,-0.3 0.480 53.4 32.4-130.0 -6.1 16.5 21.4 9.9 161 161 A Y E - K 0 149B 3 -12,-1.5 -12,-2.7 15,-0.1 2,-0.4 -0.999 42.8-171.6-156.4 148.4 15.6 17.9 11.1 162 162 A M E -LK 175 148B 0 13,-1.8 13,-1.9 -2,-0.3 2,-0.3 -0.976 34.1-121.6-139.1 126.2 14.8 14.3 9.9 163 163 A H E +L 174 0B 4 -16,-2.9 -17,-3.1 -2,-0.4 11,-0.2 -0.502 38.5 160.4 -73.8 133.9 13.7 11.8 12.5 164 164 A H E + 0 0 1 9,-1.8 2,-0.3 1,-0.3 10,-0.2 0.756 51.6 1.2-117.4 -48.2 15.8 8.6 12.8 165 165 A M E -L 173 0B 16 8,-2.4 8,-2.7 -20,-0.0 2,-0.5 -0.981 46.7-127.1-152.8 160.7 15.2 6.8 16.1 166 166 A E E -L 172 0B 103 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.905 33.2-136.7-105.4 124.5 13.5 6.4 19.5 167 167 A L > - 0 0 7 4,-3.1 3,-4.1 -2,-0.5 4,-0.1 -0.489 32.1-100.6 -77.5 152.1 15.9 6.1 22.4 168 168 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.767 124.8 59.8 -42.1 -31.5 15.0 3.4 25.0 169 169 A T T 3 S- 0 0 114 2,-0.1 3,-0.1 1,-0.1 24,-0.0 0.581 120.9-109.3 -76.5 -9.4 13.7 6.2 27.2 170 170 A G S < S+ 0 0 22 -3,-4.1 -30,-0.2 1,-0.4 -32,-0.2 0.415 78.1 127.1 97.0 -2.3 11.2 7.1 24.5 171 171 A V - 0 0 33 -4,-0.1 -4,-3.1 -34,-0.1 -1,-0.4 -0.459 56.8-115.6 -83.9 162.9 12.8 10.3 23.5 172 172 A H E -JL 136 166B 1 -36,-2.3 -36,-1.9 -6,-0.2 2,-0.3 -0.808 24.9-172.3-110.8 145.1 13.7 11.0 19.9 173 173 A A E + L 0 165B 0 -8,-2.7 -8,-2.4 -2,-0.4 -9,-1.8 -0.941 17.5 146.3-127.7 149.0 17.0 11.5 18.1 174 174 A G E - L 0 163B 1 -40,-0.3 8,-2.3 -2,-0.3 2,-0.2 -0.904 32.8-106.5-161.6-169.5 17.6 12.6 14.5 175 175 A T E -ML 181 162B 0 -13,-1.9 -13,-1.8 6,-0.3 6,-0.2 -0.680 27.4-105.9-125.9 175.4 19.9 14.4 12.1 176 176 A D > - 0 0 4 4,-1.6 3,-1.4 -15,-0.2 -15,-0.1 -0.291 54.9 -89.0 -87.7-174.5 20.0 17.6 10.0 177 177 A L T 3 S+ 0 0 1 -18,-0.3 -16,-0.1 1,-0.3 -17,-0.1 0.391 127.6 64.8 -82.3 7.2 19.5 17.2 6.2 178 178 A E T 3 S- 0 0 90 2,-0.2 -1,-0.3 -74,-0.1 -92,-0.2 0.300 120.7-109.7-101.4 3.2 23.2 16.7 5.7 179 179 A G S < S+ 0 0 0 -3,-1.4 -94,-2.3 1,-0.2 2,-0.6 0.669 71.7 141.9 78.7 19.6 22.8 13.6 7.8 180 180 A K - 0 0 95 -96,-0.2 -4,-1.6 -95,-0.1 -1,-0.2 -0.838 50.5-122.9 -99.0 119.6 24.6 14.8 10.9 181 181 A F B -M 175 0B 20 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.3 -0.179 14.1-127.7 -58.2 146.0 23.1 13.8 14.2 182 182 A Y S S+ 0 0 5 -8,-2.3 3,-0.4 -48,-0.2 -8,-0.3 -0.846 82.6 5.6 -90.7 128.6 22.1 16.4 16.7 183 183 A G S S- 0 0 24 -2,-0.5 -49,-0.1 1,-0.2 11,-0.0 -0.347 112.9 -56.8 91.3-176.6 23.8 15.3 19.9 184 184 A P S S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.443 94.4 125.7 -83.5 -0.2 26.3 12.5 20.5 185 185 A F - 0 0 7 -3,-0.4 2,-0.3 -51,-0.1 -4,-0.2 -0.118 40.5-165.5 -65.3 153.3 23.9 9.9 19.2 186 186 A V - 0 0 73 2,-0.2 2,-1.9 -5,-0.0 6,-0.1 -0.921 36.0-102.4-133.4 157.6 24.6 7.4 16.4 187 187 A D S S+ 0 0 4 -2,-0.3 2,-0.4 2,-0.1 -2,-0.0 -0.395 82.2 109.9 -83.2 63.7 22.1 5.2 14.4 188 188 A R S S- 0 0 19 -2,-1.9 2,-2.0 -137,-0.1 -2,-0.2 -0.994 74.2-122.0-135.3 137.7 22.8 1.9 16.3 189 189 A Q + 0 0 94 -140,-2.8 2,-0.2 -2,-0.4 -2,-0.1 -0.547 66.8 127.1 -82.0 77.0 20.4 0.2 18.7 190 190 A T S S- 0 0 61 -2,-2.0 -139,-0.0 -139,-0.0 -2,-0.0 -0.489 79.3 -76.4-118.7-169.5 22.6 0.3 21.7 191 191 A A + 0 0 99 -2,-0.2 -2,-0.1 -24,-0.1 -24,-0.0 0.483 69.2 161.3 -70.8 -1.9 22.4 1.4 25.3 192 192 A Q - 0 0 40 -4,-0.2 2,-0.4 1,-0.1 -7,-0.0 0.288 19.9-163.6 -21.7 136.6 22.9 5.1 24.3 193 193 A A - 0 0 84 -26,-0.1 2,-0.2 -25,-0.1 -1,-0.1 -0.994 14.2-129.0-135.1 139.5 21.7 7.6 26.9 194 194 A A - 0 0 32 -2,-0.4 3,-0.1 1,-0.1 -60,-0.1 -0.572 34.9-102.0 -84.7 148.6 21.0 11.3 26.5 195 195 A G - 0 0 47 -62,-0.4 -1,-0.1 -2,-0.2 -62,-0.1 -0.274 55.1 -77.3 -64.8 157.6 22.6 13.8 28.8 196 196 A T - 0 0 124 1,-0.1 -1,-0.2 -64,-0.1 2,-0.1 -0.354 57.0-128.1 -57.1 130.7 20.4 15.2 31.6 197 197 A D - 0 0 33 -3,-0.1 2,-0.3 -64,-0.1 -1,-0.1 -0.402 22.7-162.2 -82.8 161.1 18.1 17.7 30.1 198 198 A T - 0 0 21 -2,-0.1 2,-0.4 41,-0.0 41,-0.2 -0.828 27.8 -91.4-133.8 170.9 17.6 21.3 31.4 199 199 A T B -n 239 0C 35 39,-2.0 41,-2.7 -2,-0.3 2,-1.6 -0.711 36.4-118.0 -91.3 137.6 14.9 24.0 30.9 200 200 A I >> - 0 0 12 -2,-0.4 4,-2.0 1,-0.2 3,-0.8 -0.558 30.0-172.6 -77.6 88.0 15.4 26.5 28.1 201 201 A T H 3> S+ 0 0 2 -2,-1.6 4,-2.4 1,-0.2 5,-0.2 0.854 79.8 56.4 -48.3 -47.0 15.6 29.7 30.1 202 202 A L H 3> S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 110.1 45.5 -56.3 -41.2 15.5 32.0 27.1 203 203 A N H <> S+ 0 0 3 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.852 108.5 55.2 -72.9 -36.5 12.2 30.5 25.9 204 204 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.918 109.8 48.3 -62.9 -40.3 10.7 30.7 29.4 205 205 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.929 109.7 51.6 -64.5 -44.1 11.5 34.4 29.4 206 206 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.888 110.4 49.5 -58.3 -40.6 10.0 34.9 26.0 207 207 A W H X S+ 0 0 6 -4,-2.3 4,-2.5 84,-0.3 -1,-0.2 0.835 106.6 55.1 -68.5 -35.5 6.8 33.2 27.1 208 208 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.875 108.5 48.7 -66.7 -35.7 6.7 35.4 30.2 209 209 A Y H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.878 109.4 53.1 -68.8 -38.1 6.8 38.4 28.0 210 210 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.934 106.6 52.2 -60.7 -46.4 4.0 36.8 25.8 211 211 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.0 46.2 -58.0 -37.6 1.9 36.4 29.0 212 212 A V H >< S+ 0 0 5 -4,-1.5 3,-1.7 1,-0.2 4,-0.2 0.891 105.9 59.2 -72.2 -40.4 2.4 40.1 29.7 213 213 A I H 3< S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.864 108.1 47.4 -54.5 -37.8 1.6 41.0 26.1 214 214 A N T 3< S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.185 128.3 -94.5 -98.2 39.0 -1.8 39.3 26.6 215 215 A G S < S+ 0 0 66 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.949 87.6 115.1 47.1 84.9 -2.5 41.0 30.0 216 216 A D + 0 0 47 -4,-0.2 3,-0.2 65,-0.0 -3,-0.1 -0.228 19.8 140.5-176.2 70.6 -1.4 38.6 32.7 217 217 A R > + 0 0 128 1,-0.2 3,-1.2 -5,-0.2 -5,-0.1 -0.122 20.5 126.2-115.9 37.9 1.5 40.0 34.7 218 218 A W T 3 S+ 0 0 75 1,-0.3 -1,-0.2 3,-0.0 63,-0.1 0.812 74.8 60.4 -62.5 -28.1 0.8 39.0 38.3 219 219 A F T 3 S+ 0 0 9 -3,-0.2 -1,-0.3 -11,-0.1 51,-0.1 0.658 80.0 105.1 -74.5 -18.0 4.2 37.5 38.4 220 220 A L < - 0 0 40 -3,-1.2 2,-0.2 2,-0.1 44,-0.1 -0.396 50.6-178.1 -66.9 140.4 6.0 40.8 37.7 221 221 A N - 0 0 42 42,-0.3 46,-0.1 2,-0.2 45,-0.1 -0.656 40.0-104.6-128.0-174.6 7.7 42.3 40.8 222 222 A R S S+ 0 0 103 -2,-0.2 2,-0.1 44,-0.1 -2,-0.1 0.370 86.7 95.5 -96.1 4.2 9.7 45.4 41.8 223 223 A F - 0 0 136 40,-0.1 2,-0.3 43,-0.0 43,-0.2 -0.346 50.5-167.5 -91.0 172.1 13.1 43.6 41.9 224 224 A T - 0 0 80 42,-0.1 2,-0.2 -2,-0.1 39,-0.2 -0.829 5.7-173.2-143.3 180.0 15.9 43.2 39.4 225 225 A T - 0 0 8 -2,-0.3 2,-0.3 37,-0.2 41,-0.1 -0.865 17.9-113.9-159.8-168.9 18.9 41.0 39.1 226 226 A T > - 0 0 60 -2,-0.2 4,-2.7 39,-0.1 5,-0.3 -0.897 35.0-100.8-137.7 165.8 22.1 40.3 37.2 227 227 A L H > S+ 0 0 36 -2,-0.3 4,-2.0 1,-0.2 15,-0.3 0.852 121.3 49.4 -58.0 -34.7 23.4 37.4 35.0 228 228 A N H > S+ 0 0 121 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.965 114.1 42.4 -69.9 -50.0 25.6 36.2 37.9 229 229 A D H > S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.864 117.3 47.6 -64.7 -37.4 22.9 36.2 40.5 230 230 A F H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 3,-0.4 0.946 108.5 53.4 -69.1 -48.0 20.3 34.7 38.2 231 231 A N H X S+ 0 0 40 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.753 102.7 59.1 -60.2 -23.7 22.5 31.9 36.9 232 232 A L H X S+ 0 0 86 -4,-1.2 4,-1.4 2,-0.2 -1,-0.3 0.928 110.8 41.4 -67.9 -44.4 23.2 30.9 40.5 233 233 A V H X S+ 0 0 8 -4,-1.2 4,-1.9 -3,-0.4 -2,-0.2 0.895 112.9 55.6 -67.5 -38.7 19.5 30.3 40.9 234 234 A A H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-0.3 0.902 103.8 53.2 -59.7 -44.0 19.4 28.7 37.4 235 235 A M H ><5S+ 0 0 136 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.879 107.8 53.3 -59.2 -37.9 22.1 26.2 38.4 236 236 A K H 3<5S+ 0 0 132 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.918 114.6 38.2 -64.0 -46.7 19.9 25.2 41.4 237 237 A Y T 3<5S- 0 0 102 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.164 114.0-107.2 -96.1 19.6 16.8 24.5 39.4 238 238 A N T < 5 + 0 0 74 -3,-0.8 -39,-2.0 -4,-0.3 2,-0.4 0.915 68.4 148.3 58.4 46.8 18.4 22.9 36.3 239 239 A Y B < -n 199 0C 22 -5,-2.7 -1,-0.2 -41,-0.2 -39,-0.2 -0.877 56.0 -99.7-110.4 143.6 17.8 25.9 34.1 240 240 A E - 0 0 70 -41,-2.7 2,-0.1 -2,-0.4 -5,-0.0 -0.323 46.2-105.0 -60.3 141.4 20.2 26.8 31.2 241 241 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.411 33.9-119.6 -67.6 147.2 22.5 29.6 32.2 242 242 A L - 0 0 6 -15,-0.3 2,-0.2 -41,-0.1 -11,-0.1 -0.729 28.4-163.9 -90.7 138.3 21.7 33.1 30.7 243 243 A T > - 0 0 62 -2,-0.4 4,-1.7 1,-0.1 3,-0.5 -0.733 35.2-107.7-114.8 166.4 24.3 34.7 28.5 244 244 A Q H > S+ 0 0 107 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 120.3 59.6 -60.3 -37.1 24.7 38.3 27.3 245 245 A D H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 103.2 51.7 -59.1 -36.9 23.6 37.2 23.8 246 246 A H H > S+ 0 0 52 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.907 109.1 49.4 -66.4 -41.8 20.3 35.9 25.3 247 247 A V H < S+ 0 0 20 -4,-1.7 4,-0.3 1,-0.2 3,-0.3 0.923 110.8 49.7 -63.2 -43.5 19.7 39.3 27.0 248 248 A D H >< S+ 0 0 98 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.870 107.1 56.2 -62.2 -37.9 20.4 41.1 23.7 249 249 A I H 3< S+ 0 0 60 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.837 103.5 53.8 -63.3 -34.5 18.0 38.7 21.9 250 250 A L T 3X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.3 0.472 81.4 98.4 -80.9 -1.4 15.2 39.7 24.3 251 251 A G H <> S+ 0 0 25 -3,-1.2 4,-3.3 -4,-0.3 5,-0.3 0.933 77.5 52.0 -51.7 -57.0 15.6 43.4 23.6 252 252 A P H > S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.885 113.9 44.9 -48.6 -43.2 12.7 43.7 21.0 253 253 A L H > S+ 0 0 8 -4,-0.3 4,-1.3 2,-0.2 6,-0.3 0.876 113.3 51.7 -68.7 -38.2 10.3 42.1 23.5 254 254 A S H X>S+ 0 0 24 -4,-2.3 4,-1.9 1,-0.2 5,-0.9 0.941 109.1 49.7 -62.6 -50.4 11.7 44.3 26.3 255 255 A A H <5S+ 0 0 86 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 113.9 44.2 -57.6 -41.8 11.3 47.5 24.3 256 256 A Q H <5S+ 0 0 123 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.688 118.1 42.4 -81.1 -18.6 7.7 46.8 23.3 257 257 A T H <5S- 0 0 19 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.656 99.4-125.4-101.4 -19.1 6.5 45.6 26.8 258 258 A G T <5S+ 0 0 66 -4,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.714 72.4 120.1 81.0 20.0 8.2 48.1 29.0 259 259 A I < - 0 0 22 -5,-0.9 -1,-0.2 -6,-0.3 -2,-0.2 -0.968 62.7-131.1-121.3 115.9 9.9 45.4 31.1 260 260 A A >> - 0 0 48 -2,-0.5 4,-1.6 1,-0.1 3,-0.7 -0.320 23.3-118.8 -61.6 147.5 13.7 45.4 31.2 261 261 A V H 3> S+ 0 0 11 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.914 114.4 49.8 -55.5 -47.4 15.2 42.0 30.5 262 262 A L H 3> S+ 0 0 56 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.732 107.3 57.2 -66.1 -20.3 16.9 41.7 33.9 263 263 A D H <> S+ 0 0 62 -3,-0.7 4,-1.2 2,-0.2 -42,-0.3 0.829 106.0 47.6 -77.9 -33.8 13.6 42.7 35.5 264 264 A M H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.4 -2,-0.2 0.880 109.5 54.9 -72.2 -35.3 11.8 39.8 33.8 265 265 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.845 104.5 53.9 -64.4 -32.6 14.7 37.6 35.0 266 266 A A H X S+ 0 0 5 -4,-1.1 4,-1.4 -43,-0.2 -1,-0.2 0.817 109.3 48.5 -70.1 -31.3 14.0 38.8 38.5 267 267 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.894 111.3 48.7 -74.0 -42.2 10.4 37.7 38.1 268 268 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.937 107.4 57.1 -62.7 -45.6 11.4 34.3 36.8 269 269 A K H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.903 107.1 47.5 -51.8 -46.8 13.8 33.9 39.7 270 270 A E H X>S+ 0 0 76 -4,-1.4 4,-1.9 1,-0.2 5,-0.6 0.905 108.0 55.4 -64.5 -41.0 11.0 34.4 42.3 271 271 A L H X5S+ 0 0 13 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.856 110.4 45.9 -59.8 -36.1 8.8 31.9 40.5 272 272 A L H <5S+ 0 0 23 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.7 45.8 -73.2 -40.1 11.5 29.3 40.8 273 273 A Q H <5S+ 0 0 98 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.665 132.6 15.8 -77.5 -18.9 12.2 30.1 44.4 274 274 A N H <5S- 0 0 102 -4,-1.9 -3,-0.2 -5,-0.2 2,-0.2 0.694 96.8-134.3-121.6 -44.0 8.6 30.2 45.5 275 275 A G << - 0 0 31 -4,-1.0 -1,-0.1 -5,-0.6 -2,-0.1 -0.547 31.8 -76.6 110.8-179.0 6.4 28.6 42.9 276 276 A M > - 0 0 24 -2,-0.2 3,-1.6 9,-0.2 -1,-0.1 0.585 49.2-145.2 -95.9 -12.5 3.1 29.6 41.3 277 277 A N T 3 S- 0 0 133 1,-0.3 2,-1.0 -3,-0.2 3,-0.1 0.933 70.6 -49.9 46.3 62.5 0.9 28.7 44.3 278 278 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 7,-0.1 -2,-0.0 0.069 112.5 124.4 70.9 -31.6 -2.1 27.5 42.2 279 279 A R < - 0 0 123 -3,-1.6 2,-0.3 -2,-1.0 -1,-0.2 -0.252 50.6-146.9 -59.1 149.7 -1.9 30.8 40.3 280 280 A T - 0 0 59 -3,-0.1 2,-0.4 3,-0.0 5,-0.2 -0.795 12.4-147.5-122.1 164.0 -1.6 30.3 36.5 281 281 A I B > S-O 284 0D 0 3,-2.5 3,-1.3 -2,-0.3 5,-0.2 -0.984 83.4 -15.2-132.8 119.6 0.1 31.9 33.5 282 282 A L T 3 S- 0 0 12 -2,-0.4 -280,-0.6 1,-0.3 -279,-0.6 0.927 127.0 -55.9 52.9 48.5 -1.5 31.8 30.1 283 283 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 -282,-0.2 -1,-0.3 0.719 117.1 119.6 58.2 21.4 -3.8 29.0 31.2 284 284 A S B < -O 281 0D 26 -3,-1.3 -3,-2.5 1,-0.1 -1,-0.2 -0.889 52.2-163.9-119.7 150.0 -0.7 27.1 32.2 285 285 A T S S+ 0 0 109 -2,-0.3 2,-0.3 -5,-0.2 -9,-0.2 0.411 78.3 50.1-108.5 -3.3 0.5 25.7 35.6 286 286 A I S S- 0 0 116 -5,-0.2 2,-0.7 -10,-0.0 -5,-0.1 -0.937 97.5 -92.3-133.4 155.5 4.1 25.1 34.6 287 287 A L - 0 0 22 -2,-0.3 2,-0.3 1,-0.1 -83,-0.1 -0.588 41.8-139.3 -75.4 113.6 6.7 27.3 32.9 288 288 A E + 0 0 43 -2,-0.7 -81,-0.3 -84,-0.1 3,-0.2 -0.543 25.1 175.9 -74.5 129.6 6.6 26.7 29.2 289 289 A D + 0 0 16 -2,-0.3 -86,-0.2 1,-0.1 -85,-0.2 0.190 56.7 87.4-121.5 19.4 9.9 26.6 27.4 290 290 A E + 0 0 32 -87,-0.1 2,-0.5 -86,-0.1 -1,-0.1 0.104 68.7 84.8-106.1 23.1 9.0 25.7 23.8 291 291 A F - 0 0 8 -3,-0.2 -84,-0.3 -88,-0.1 -85,-0.2 -0.991 66.3-151.9-122.2 121.9 8.4 29.2 22.5 292 292 A T > - 0 0 11 -2,-0.5 4,-2.2 -86,-0.1 5,-0.2 -0.468 31.8-106.9 -86.7 164.8 11.5 31.2 21.3 293 293 A P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.860 124.5 53.7 -58.8 -32.0 11.6 35.0 21.4 294 294 A F H > S+ 0 0 133 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.880 106.2 50.6 -69.5 -38.6 11.2 34.8 17.6 295 295 A D H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 111.2 49.3 -65.2 -41.4 8.1 32.7 17.9 296 296 A V H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.937 113.5 44.4 -63.7 -49.1 6.6 35.1 20.4 297 297 A V H X S+ 0 0 61 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.888 115.8 48.8 -62.4 -40.4 7.3 38.2 18.2 298 298 A R H < S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.0 46.1 -67.5 -40.0 6.1 36.4 15.1 299 299 A Q H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.678 116.4 46.2 -77.4 -17.6 2.9 35.2 16.8 300 300 A C H < 0 0 53 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.723 360.0 360.0 -96.1 -25.4 2.2 38.7 18.2 301 301 A S < 0 0 130 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.637 360.0 360.0 -96.4 360.0 2.9 40.8 15.1