==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-NOV-05 2EXM . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.SCHULZE-GAHMEN . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 27 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 4 0 0 1 0 0 2 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 27 0, 0.0 5,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 170.2 103.7 111.3 93.7 2 2 A E + 0 0 126 1,-0.1 0, 0.0 3,-0.1 0, 0.0 0.526 360.0 63.0-104.7 -11.6 105.2 114.8 93.8 3 3 A N S S+ 0 0 77 21,-0.1 21,-2.6 20,-0.0 22,-0.5 0.358 104.0 60.4 -92.2 4.7 108.5 114.7 91.9 4 4 A F E S-A 23 0A 12 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.934 71.8-143.1-131.5 149.8 106.5 113.7 88.8 5 5 A Q E -A 22 0A 95 17,-2.2 17,-2.9 -2,-0.3 -3,-0.1 -0.979 27.0-132.9-112.8 112.3 103.8 115.4 86.8 6 6 A K E +A 21 0A 77 -2,-0.6 15,-0.3 15,-0.3 3,-0.1 -0.444 25.7 179.0 -62.5 143.0 101.4 112.8 85.6 7 7 A V E - 0 0 61 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.366 61.7 -16.9-124.5 -1.7 100.7 113.4 81.9 8 8 A E E -A 20 0A 120 12,-1.4 12,-1.2 3,-0.0 2,-0.6 -0.966 58.7-104.2 174.0 168.3 98.2 110.5 81.4 9 9 A K E -A 19 0A 103 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.980 25.3-169.7-113.3 108.4 96.7 107.2 82.6 10 10 A I E - 0 0 74 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.672 56.9 -83.7 -73.6 -17.6 98.3 104.4 80.5 11 11 A G E -A 18 0A 26 7,-1.4 7,-2.8 -3,-0.1 2,-0.5 -0.938 48.5 -63.3 146.6-167.6 95.8 102.0 81.9 12 12 A E E -A 17 0A 72 -2,-0.3 5,-0.2 5,-0.2 146,-0.1 -0.942 49.0-171.7-125.8 106.5 95.1 99.8 84.9 13 13 A G - 0 0 26 3,-2.2 147,-0.3 -2,-0.5 146,-0.2 0.029 43.8 -82.1 -83.3-164.8 97.4 96.9 85.4 14 14 A T S S+ 0 0 16 1,-0.2 145,-0.4 144,-0.1 3,-0.1 0.853 127.6 32.3 -67.4 -35.4 97.4 93.8 87.7 15 15 A Y S S- 0 0 22 1,-0.2 21,-1.5 143,-0.1 22,-0.4 0.620 126.5 -57.1-102.6 -14.6 98.8 95.9 90.6 16 16 A G S S- 0 0 8 19,-0.2 -3,-2.2 20,-0.2 -1,-0.2 -0.982 79.5 -29.1 163.9-166.1 97.4 99.4 90.2 17 17 A V E -A 12 0A 23 -2,-0.3 17,-1.7 -5,-0.2 2,-0.5 -0.533 47.2-146.9 -80.3 145.5 97.2 102.3 87.8 18 18 A V E -AB 11 33A 19 -7,-2.8 -8,-2.1 15,-0.2 -7,-1.4 -0.969 20.8-171.8-113.1 124.1 100.0 102.9 85.2 19 19 A Y E -AB 9 32A 44 13,-2.4 13,-2.4 -2,-0.5 2,-0.5 -0.882 27.7-131.3-117.0 148.6 100.6 106.5 84.4 20 20 A K E +AB 8 31A 45 -12,-1.2 -13,-3.2 -2,-0.3 -12,-1.4 -0.868 45.7 170.7 -92.4 130.4 102.7 108.3 81.9 21 21 A A E -AB 6 30A 0 9,-1.8 9,-2.8 -2,-0.5 2,-0.5 -0.984 32.9-128.4-143.0 152.3 104.5 110.9 84.0 22 22 A R E -AB 5 29A 101 -17,-2.9 -17,-2.2 -2,-0.3 2,-0.6 -0.901 23.8-126.6-108.3 128.1 107.3 113.3 83.6 23 23 A N E > -A 4 0A 20 5,-3.1 4,-2.7 -2,-0.5 -19,-0.2 -0.639 17.8-152.2 -70.9 118.3 110.1 113.3 86.1 24 24 A K T 4 S+ 0 0 112 -21,-2.6 -1,-0.2 -2,-0.6 -20,-0.1 0.863 90.1 44.2 -63.0 -36.1 110.3 117.0 87.2 25 25 A L T 4 S+ 0 0 134 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.1 0.997 128.3 24.5 -69.9 -65.3 114.0 116.9 88.1 26 26 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.795 91.9-135.1 -71.3 -35.3 115.3 115.0 85.0 27 27 A G < + 0 0 31 -4,-2.7 2,-0.3 1,-0.3 -3,-0.1 0.574 57.1 139.0 86.3 8.5 112.6 115.8 82.5 28 28 A E - 0 0 119 -5,-0.2 -5,-3.1 -6,-0.0 2,-0.4 -0.703 55.1-125.7 -89.8 138.7 112.5 112.2 81.4 29 29 A V E +B 22 0A 28 -2,-0.3 53,-0.6 -7,-0.2 2,-0.2 -0.711 39.7 175.0 -81.9 136.9 109.1 110.6 80.7 30 30 A V E -BC 21 81A 4 -9,-2.8 -9,-1.8 -2,-0.4 2,-0.6 -0.781 36.8-108.6-138.4 168.2 108.7 107.5 82.7 31 31 A A E -BC 20 80A 8 49,-3.1 49,-3.3 -2,-0.2 2,-0.5 -0.955 35.1-162.5-107.4 114.1 106.0 104.8 83.4 32 32 A L E -BC 19 79A 0 -13,-2.4 -13,-2.4 -2,-0.6 2,-0.6 -0.865 4.5-168.0-100.5 124.5 104.9 105.2 87.0 33 33 A K E -BC 18 78A 32 45,-2.7 45,-2.2 -2,-0.5 2,-0.4 -0.933 10.5-154.1-119.1 114.4 103.1 102.3 88.7 34 34 A K E - C 0 77A 50 -17,-1.7 2,-0.3 -2,-0.6 43,-0.2 -0.727 30.5-128.2 -80.2 128.9 101.2 102.8 91.9 35 35 A I - 0 0 13 41,-2.5 41,-0.4 -2,-0.4 -19,-0.2 -0.714 54.9 -15.7 -95.3 142.2 101.2 99.3 93.6 36 36 A R - 0 0 43 -21,-1.5 2,-0.2 -2,-0.3 -20,-0.2 0.930 62.5-136.3 37.1 101.5 98.3 97.3 95.1 37 37 A L S S- 0 0 80 -22,-0.4 2,-2.5 -3,-0.2 -1,-0.1 -0.543 73.1 -18.9 -80.6 138.3 95.0 99.1 95.7 38 38 A D S S+ 0 0 107 -2,-0.2 2,-1.9 1,-0.1 3,-0.3 -0.410 117.7 83.0 69.9 -67.9 93.1 98.5 99.0 39 39 A T + 0 0 119 -2,-2.5 -1,-0.1 1,-0.2 120,-0.0 -0.454 61.8 94.4 -70.5 80.0 94.8 95.2 99.8 40 40 A E >> + 0 0 66 -2,-1.9 3,-1.3 4,-0.0 4,-0.7 0.209 39.6 148.4-154.6 16.7 98.0 96.5 101.5 41 41 A T T 34 + 0 0 137 -3,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.481 56.1 61.5 -69.2 109.4 97.3 96.5 105.2 42 42 A E T 34 S- 0 0 176 -2,-0.6 -1,-0.2 2,-0.0 -2,-0.0 -0.157 115.4 -91.3 168.7 -41.6 100.6 95.9 107.1 43 43 A G T <4 S- 0 0 29 -3,-1.3 -2,-0.1 31,-0.1 31,-0.1 0.514 79.7 -58.7 115.4 22.6 102.6 98.9 105.9 44 44 A V S < S- 0 0 10 -4,-0.7 -3,-0.1 32,-0.0 5,-0.1 0.885 70.7-100.7 69.5 100.6 104.2 97.2 102.8 45 45 A P >> - 0 0 43 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.144 16.5-132.5 -49.7 138.9 106.2 94.1 103.8 46 46 A S H 3> S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.784 105.9 66.1 -62.8 -27.3 110.0 94.5 104.0 47 47 A T H 3> S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.868 99.5 45.6 -63.6 -43.5 110.1 91.3 101.9 48 48 A A H <> S+ 0 0 6 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.929 112.1 54.7 -66.4 -42.6 108.5 92.8 98.8 49 49 A I H X S+ 0 0 43 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.925 110.0 46.0 -54.0 -48.8 110.8 95.8 99.2 50 50 A R H X S+ 0 0 140 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.868 112.6 48.6 -64.8 -39.2 113.8 93.5 99.3 51 51 A E H X S+ 0 0 57 -4,-2.0 4,-0.9 1,-0.2 3,-0.3 0.927 113.3 48.7 -67.0 -41.8 112.7 91.4 96.2 52 52 A I H >X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 3,-0.7 0.886 105.0 57.1 -62.8 -44.3 112.0 94.6 94.3 53 53 A S H 3< S+ 0 0 39 -4,-2.2 3,-0.5 1,-0.3 4,-0.4 0.840 102.6 56.9 -59.0 -31.5 115.4 96.1 95.1 54 54 A L H >< S+ 0 0 99 -4,-1.2 3,-1.0 -3,-0.3 4,-0.4 0.810 100.1 58.2 -67.6 -35.5 117.1 93.1 93.6 55 55 A L H X< S+ 0 0 17 -4,-0.9 3,-1.1 -3,-0.7 11,-0.3 0.762 89.3 72.1 -68.0 -25.4 115.3 93.7 90.3 56 56 A K T 3< S+ 0 0 75 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.777 98.2 51.4 -61.3 -24.4 116.8 97.2 90.0 57 57 A E T < S+ 0 0 146 -3,-1.0 2,-1.5 -4,-0.4 -1,-0.3 0.636 84.8 94.6 -87.4 -16.6 120.1 95.4 89.3 58 58 A L < + 0 0 23 -3,-1.1 2,-0.4 -4,-0.4 8,-0.2 -0.577 55.0 168.2 -82.4 90.6 118.7 93.1 86.5 59 59 A N + 0 0 75 -2,-1.5 5,-0.1 6,-0.1 -3,-0.0 -0.863 8.3 145.7-111.8 135.3 119.5 95.1 83.4 60 60 A H > - 0 0 44 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.944 55.0-114.4-159.0 143.2 119.2 93.8 79.8 61 61 A P T 3 S+ 0 0 90 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.572 117.7 49.1 -59.7 -10.9 118.3 95.6 76.5 62 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.2 78,-0.1 2,-0.4 0.142 96.2 83.0-115.3 18.5 115.1 93.4 76.3 63 63 A I B < S-e 143 0B 13 -3,-2.1 2,-0.5 79,-0.3 -3,-0.4 -0.985 88.2-115.7-123.1 125.1 114.0 93.9 79.9 64 64 A V - 0 0 11 79,-2.5 82,-0.2 -2,-0.4 2,-0.2 -0.546 43.8-115.2 -63.1 116.0 112.0 97.1 80.7 65 65 A K - 0 0 85 -2,-0.5 16,-2.1 1,-0.1 2,-1.1 -0.367 12.5-140.2 -63.7 125.8 114.3 99.0 83.1 66 66 A L E +D 80 0A 11 -11,-0.3 14,-0.2 -8,-0.2 3,-0.1 -0.770 25.5 178.0 -86.5 101.5 113.2 99.5 86.7 67 67 A L E - 0 0 49 12,-2.0 2,-0.3 -2,-1.1 13,-0.2 0.933 56.7 -4.6 -71.8 -51.5 114.5 103.1 87.2 68 68 A D E -D 79 0A 88 11,-1.5 11,-3.1 2,-0.0 2,-0.4 -0.981 48.1-146.9-148.6 160.5 113.3 103.7 90.8 69 69 A V E -D 78 0A 36 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.991 18.7-168.2-129.3 118.0 111.4 102.3 93.7 70 70 A I E +D 77 0A 31 7,-3.1 7,-1.2 -2,-0.4 2,-1.1 -0.842 12.3 177.3-117.4 96.2 109.6 104.9 95.9 71 71 A H E +D 76 0A 73 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.820 26.7 153.8 -94.8 96.3 108.2 103.7 99.2 72 72 A T E > +D 75 0A 50 -2,-1.1 3,-2.1 3,-1.1 -2,-0.1 -0.944 63.4 5.7-124.0 144.8 106.8 107.0 100.6 73 73 A E T 3 S- 0 0 104 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.802 131.3 -64.2 54.3 28.2 103.9 107.4 103.0 74 74 A N T 3 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.836 115.7 113.5 61.7 36.8 104.0 103.6 103.3 75 75 A K E < - D 0 72A 94 -3,-2.1 -3,-1.1 -5,-0.1 2,-0.4 -0.851 59.4-133.5-128.7 162.1 103.0 103.3 99.6 76 76 A L E + D 0 71A 6 -41,-0.4 -41,-2.5 -2,-0.3 2,-0.4 -0.983 19.3 179.2-128.2 129.8 105.1 101.9 96.7 77 77 A Y E -CD 34 70A 17 -7,-1.2 -7,-3.1 -2,-0.4 2,-0.5 -0.999 14.1-154.7-127.9 126.7 105.6 103.4 93.3 78 78 A L E -CD 33 69A 0 -45,-2.2 -45,-2.7 -2,-0.4 2,-0.6 -0.865 8.1-151.3-101.1 130.3 107.8 101.7 90.7 79 79 A V E -CD 32 68A 2 -11,-3.1 -12,-2.0 -2,-0.5 -11,-1.5 -0.924 20.5-179.2-105.6 120.4 109.3 103.9 88.1 80 80 A F E -CD 31 66A 9 -49,-3.3 -49,-3.1 -2,-0.6 -14,-0.2 -0.803 35.9 -95.1-117.0 160.1 110.0 102.2 84.8 81 81 A E E -C 30 0A 49 -16,-2.1 2,-0.3 -2,-0.3 -51,-0.2 -0.453 50.9-118.4 -67.7 147.6 111.4 103.2 81.4 82 82 A F - 0 0 37 -53,-0.6 2,-0.4 -2,-0.1 -1,-0.1 -0.731 30.0-177.4 -98.5 136.0 108.6 104.2 79.1 83 83 A L - 0 0 17 -2,-0.3 53,-0.1 1,-0.1 52,-0.0 -0.987 23.8-136.7-128.7 139.3 107.7 102.5 75.8 84 84 A H S S+ 0 0 98 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.759 76.5 31.1 -72.4 -29.8 104.8 103.7 73.6 85 85 A Q E -F 135 0B 23 50,-1.3 50,-2.8 213,-0.0 2,-0.3 -0.959 59.6-147.8-136.7 150.3 103.1 100.6 72.5 86 86 A D E > -F 134 0B 27 -2,-0.3 4,-1.8 48,-0.3 48,-0.2 -0.715 33.4-111.9-104.4 163.9 102.3 97.1 73.8 87 87 A L H > S+ 0 0 0 46,-2.4 4,-2.4 43,-1.1 44,-0.2 0.748 113.3 61.7 -67.3 -27.5 102.0 93.9 71.6 88 88 A K H > S+ 0 0 66 42,-0.7 4,-2.4 45,-0.3 5,-0.2 0.990 108.3 42.9 -62.6 -52.8 98.3 93.6 72.3 89 89 A K H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.896 113.9 51.9 -58.3 -42.4 97.6 97.0 70.7 90 90 A F H X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.894 109.4 48.8 -63.7 -41.1 100.0 96.2 67.8 91 91 A M H >< S+ 0 0 21 -4,-2.4 3,-1.3 2,-0.2 -2,-0.2 0.936 109.5 51.8 -65.5 -44.0 98.4 92.9 67.0 92 92 A D H >< S+ 0 0 93 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.873 110.8 50.2 -58.6 -37.4 94.9 94.5 67.0 93 93 A A H 3< S+ 0 0 73 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.573 111.6 46.6 -75.5 -14.7 96.4 97.0 64.6 94 94 A S T - 0 0 73 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.230 21.6-117.6 -57.2 149.5 105.0 89.6 59.0 101 101 A L H > S+ 0 0 67 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.893 112.6 55.8 -56.4 -45.1 107.0 86.4 59.7 102 102 A P H > S+ 0 0 70 0, 0.0 4,-2.1 0, 0.0 188,-0.4 0.890 111.2 45.7 -54.9 -40.6 110.4 88.2 59.8 103 103 A L H > S+ 0 0 9 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.899 111.9 51.6 -68.4 -44.6 109.0 90.6 62.5 104 104 A I H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.949 111.5 47.3 -58.4 -45.2 107.5 87.7 64.3 105 105 A K H X S+ 0 0 12 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.884 112.3 48.6 -64.4 -41.5 110.9 85.8 64.3 106 106 A S H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.942 113.0 48.1 -63.8 -48.2 112.9 88.9 65.5 107 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.921 112.3 48.2 -60.9 -43.3 110.4 89.6 68.3 108 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.899 111.6 51.3 -63.8 -38.7 110.5 86.0 69.4 109 109 A F H X S+ 0 0 51 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.884 112.0 45.1 -64.3 -44.9 114.4 86.0 69.3 110 110 A Q H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.849 111.6 53.4 -69.8 -35.4 114.7 89.1 71.4 111 111 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.939 107.6 50.6 -65.0 -44.0 112.1 87.8 73.9 112 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.802 108.2 54.1 -64.3 -29.2 114.0 84.6 74.3 113 113 A Q H X S+ 0 0 64 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.929 110.1 45.0 -70.0 -46.3 117.2 86.7 75.0 114 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 116.1 48.4 -62.9 -40.9 115.5 88.7 77.8 115 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.926 109.0 50.7 -64.8 -48.1 114.1 85.4 79.2 116 116 A A H X S+ 0 0 16 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.892 111.5 51.3 -59.5 -38.1 117.4 83.5 79.1 117 117 A F H X S+ 0 0 43 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.942 114.3 40.4 -64.5 -49.4 119.0 86.5 80.9 118 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-1.3 0.928 113.3 54.7 -66.8 -39.7 116.4 86.5 83.7 119 119 A H H ><5S+ 0 0 28 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.763 101.1 59.6 -64.1 -28.2 116.2 82.7 83.9 120 120 A S H 3<5S+ 0 0 72 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.682 106.0 48.3 -74.4 -18.0 120.0 82.6 84.5 121 121 A H T <<5S- 0 0 67 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.197 122.6-109.0-104.6 15.6 119.6 84.8 87.6 122 122 A R T < 5S+ 0 0 205 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.797 73.2 143.0 63.1 28.9 116.8 82.5 88.7 123 123 A V < - 0 0 17 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.871 29.7-169.0-106.8 133.1 114.2 85.2 88.0 124 124 A L - 0 0 34 -2,-0.4 23,-0.9 1,-0.1 26,-0.3 -0.847 21.7-162.0-113.6 156.5 110.7 84.4 86.6 125 125 A H - 0 0 3 -2,-0.3 24,-0.5 21,-0.2 25,-0.2 0.870 18.9-178.6 -94.2 -54.3 108.0 86.6 85.2 126 126 A R + 0 0 25 56,-0.1 20,-0.1 23,-0.1 55,-0.0 0.257 67.5 65.4 65.9 4.6 105.2 84.0 85.5 127 127 A D + 0 0 9 18,-0.1 2,-0.2 42,-0.1 5,-0.1 -0.227 65.0 163.2-143.4 44.2 102.5 86.3 84.0 128 128 A L + 0 0 2 40,-0.1 40,-0.1 3,-0.1 17,-0.0 -0.499 10.3 144.7 -69.9 135.9 103.6 86.8 80.4 129 129 A K > - 0 0 17 -2,-0.2 3,-2.4 38,-0.0 -42,-0.1 -0.942 63.2 -95.9-164.1 155.5 100.9 88.1 78.1 130 130 A P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -43,-1.1 0.785 117.1 67.3 -46.9 -35.4 100.9 90.5 75.1 131 131 A Q G 3 S+ 0 0 79 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.708 101.9 44.1 -63.4 -28.6 100.0 93.4 77.3 132 132 A N G < S+ 0 0 10 -3,-2.4 12,-3.2 -5,-0.1 2,-0.6 0.133 90.7 92.8-109.1 31.4 103.3 93.3 79.1 133 133 A L E < - G 0 143B 0 -3,-1.4 -46,-2.4 10,-0.2 2,-0.4 -0.979 64.6-162.7-116.8 110.1 105.4 93.0 76.0 134 134 A L E -FG 86 142B 30 8,-2.7 8,-2.8 -2,-0.6 2,-0.3 -0.843 5.9-163.5-106.0 141.1 106.3 96.5 74.9 135 135 A I E -FG 85 141B 0 -50,-2.8 -50,-1.3 -2,-0.4 2,-0.2 -0.844 2.0-162.2-122.1 153.3 107.6 97.7 71.5 136 136 A N > - 0 0 42 4,-1.5 3,-1.1 -2,-0.3 -53,-0.1 -0.709 38.9 -95.6-123.9-179.0 109.4 100.8 70.2 137 137 A T T 3 S+ 0 0 73 1,-0.2 159,-0.1 -2,-0.2 -2,-0.0 0.621 113.1 65.9 -74.0 -11.4 110.0 102.4 66.7 138 138 A E T 3 S- 0 0 150 155,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.466 118.8 -97.5 -89.4 -6.4 113.5 100.8 66.4 139 139 A G S < S+ 0 0 0 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.560 80.1 132.0 101.9 7.2 112.3 97.2 66.1 140 140 A A - 0 0 16 151,-0.1 -4,-1.5 154,-0.0 2,-0.3 -0.549 37.4-163.3 -92.8 159.1 112.9 96.2 69.8 141 141 A I E - G 0 135B 0 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.991 9.6-166.0-139.8 137.8 110.6 94.4 72.1 142 142 A K E - G 0 134B 28 -8,-2.8 -8,-2.7 -2,-0.3 2,-0.5 -0.979 22.2-120.0-132.1 147.4 110.9 94.3 76.0 143 143 A L E -eG 63 133B 1 -81,-2.2 -79,-2.5 -2,-0.3 3,-0.4 -0.731 31.2-155.8 -86.5 122.2 109.5 92.3 78.8 144 144 A A + 0 0 2 -12,-3.2 -12,-0.1 -2,-0.5 -79,-0.1 -0.705 66.5 14.9-100.6 151.1 107.6 94.4 81.4 145 145 A D S > S+ 0 0 21 -2,-0.3 3,-1.2 1,-0.2 4,-0.4 0.745 76.2 177.0 60.2 32.1 106.9 93.6 85.0 146 146 A F T 3 + 0 0 16 -3,-0.4 -21,-0.2 1,-0.2 -1,-0.2 -0.384 66.6 6.0 -66.4 135.9 109.5 90.8 85.3 147 147 A G T 3> S+ 0 0 0 -23,-0.9 4,-1.1 1,-0.1 -1,-0.2 0.371 94.7 111.2 75.9 -5.3 109.7 89.3 88.8 148 148 A L H <> + 0 0 2 -3,-1.2 4,-3.9 1,-0.2 -2,-0.1 0.810 68.7 61.9 -70.8 -33.5 106.8 91.3 90.3 149 149 A A H 4 S+ 0 0 7 -24,-0.5 5,-0.3 -4,-0.4 -1,-0.2 0.892 103.0 51.6 -61.2 -38.3 104.6 88.3 90.7 150 150 A R H 4 S+ 0 0 96 -26,-0.3 3,-0.3 -25,-0.2 -1,-0.2 0.902 114.8 43.2 -64.2 -38.1 107.1 86.9 93.1 151 151 A A H < S+ 0 0 17 -4,-1.1 2,-0.6 1,-0.3 -2,-0.2 0.977 128.9 26.3 -70.5 -51.9 107.1 90.2 95.0 152 152 A F S < S- 0 0 10 -4,-3.9 2,-0.6 -104,-0.1 -1,-0.3 -0.865 93.1-122.6-117.2 97.6 103.2 90.5 94.9 153 153 A G - 0 0 74 -2,-0.6 -3,-0.1 -3,-0.3 -4,-0.1 -0.119 39.5-111.1 -45.2 92.3 101.4 87.1 94.6 154 154 A V - 0 0 32 -2,-0.6 2,-0.1 -5,-0.3 -1,-0.1 0.201 36.5-164.6 -32.7 121.9 99.3 87.5 91.4 155 155 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.418 19.2-135.6-101.2 178.1 95.5 87.7 91.8 156 156 A V S S+ 0 0 73 1,-0.3 8,-2.2 -2,-0.1 2,-0.9 0.851 89.8 51.0-104.0 -59.2 92.6 87.4 89.3 157 157 A R B S-H 163 0C 144 6,-0.2 -1,-0.3 7,-0.1 6,-0.2 -0.746 84.6-148.3 -86.0 109.5 90.1 90.1 90.0 158 158 A T > - 0 0 10 4,-2.9 3,-2.4 -2,-0.9 -144,-0.1 -0.050 32.6 -92.8 -68.1 174.1 92.2 93.3 90.0 159 159 A Y T 3 S+ 0 0 32 -145,-0.4 -1,-0.1 1,-0.3 -145,-0.1 0.744 132.7 58.9 -58.5 -27.1 91.5 96.4 92.2 160 160 A T T 3 S- 0 0 35 -147,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.316 123.1-114.2 -84.8 8.2 89.6 97.6 89.1 161 161 A H < + 0 0 135 -3,-2.4 -2,-0.2 1,-0.2 2,-0.1 0.469 67.9 150.9 71.1 8.5 87.5 94.4 89.6 162 162 A E - 0 0 75 -5,-0.1 -4,-2.9 1,-0.1 2,-0.6 -0.364 49.4-118.4 -72.6 144.7 89.0 93.1 86.3 163 163 A V B -H 157 0C 96 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.1 -0.766 26.8-126.4 -90.8 117.5 89.4 89.4 85.7 164 164 A V - 0 0 10 -8,-2.2 2,-0.1 -2,-0.6 -7,-0.1 -0.389 30.0-110.2 -63.3 130.1 93.0 88.3 85.1 165 165 A T - 0 0 35 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.378 26.9-172.0 -65.9 138.2 93.5 86.3 81.9 166 166 A L > + 0 0 22 39,-0.4 3,-1.7 1,-0.1 -1,-0.1 0.372 58.6 104.7-106.4 -1.8 94.4 82.6 82.3 167 167 A W T 3 S+ 0 0 83 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.644 85.3 39.1 -56.7 -22.9 95.1 82.1 78.6 168 168 A Y T 3 S+ 0 0 10 -3,-0.1 -1,-0.3 -40,-0.1 2,-0.2 0.368 85.9 125.5-110.0 4.0 98.8 82.0 79.0 169 169 A R < - 0 0 31 -3,-1.7 -42,-0.1 1,-0.1 -3,-0.1 -0.422 61.8-121.7 -71.2 130.0 98.9 80.0 82.2 170 170 A A >> - 0 0 0 -2,-0.2 4,-1.8 1,-0.1 3,-1.0 -0.425 19.9-117.8 -70.2 147.9 101.0 76.8 82.1 171 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 6,-0.2 0.803 111.1 60.7 -58.9 -30.0 99.3 73.5 82.9 172 172 A E H 34>S+ 0 0 5 2,-0.2 5,-2.9 1,-0.2 -3,-0.0 0.853 106.9 47.6 -68.2 -29.6 101.4 72.7 86.0 173 173 A I H X45S+ 0 0 25 -3,-1.0 3,-1.7 3,-0.2 -1,-0.2 0.943 111.6 49.6 -73.9 -45.1 100.1 75.9 87.5 174 174 A L H 3<5S+ 0 0 5 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.807 108.6 54.1 -63.0 -30.7 96.5 75.0 86.6 175 175 A L T 3<5S- 0 0 0 -4,-2.2 60,-2.2 -5,-0.2 61,-0.4 0.256 125.4 -97.7 -89.2 9.4 96.9 71.5 88.1 176 176 A G T < 5 + 0 0 20 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.595 65.4 155.5 91.1 9.7 98.1 72.9 91.4 177 177 A C < - 0 0 36 -5,-2.9 -1,-0.3 -6,-0.2 3,-0.2 -0.618 18.3-174.8 -72.5 124.3 101.9 72.8 91.3 178 178 A K S S+ 0 0 117 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.570 72.0 64.0 -96.5 -12.8 103.2 75.4 93.7 179 179 A Y S S+ 0 0 194 -6,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.562 75.5 173.7-109.2 64.5 106.9 75.1 93.0 180 180 A Y - 0 0 87 -2,-0.6 2,-0.1 -3,-0.2 -2,-0.0 -0.383 14.4-147.1 -75.6 152.6 106.9 76.2 89.4 181 181 A S > - 0 0 48 -2,-0.1 3,-2.2 1,-0.0 4,-0.4 -0.418 38.3 -80.3-109.5-174.9 110.0 76.7 87.3 182 182 A T T >> S+ 0 0 55 1,-0.3 4,-0.8 2,-0.2 3,-0.8 0.692 116.0 80.3 -58.9 -18.4 111.3 78.9 84.5 183 183 A A H 3> S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.768 77.6 68.6 -64.1 -25.5 109.4 76.5 82.3 184 184 A V H <> S+ 0 0 2 -3,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.902 98.0 50.8 -60.1 -40.1 106.2 78.4 83.0 185 185 A D H <> S+ 0 0 0 -3,-0.8 4,-2.0 -4,-0.4 -1,-0.2 0.806 107.1 53.3 -66.5 -33.4 107.5 81.4 81.1 186 186 A I H X S+ 0 0 3 -4,-0.8 4,-2.1 -3,-0.2 -1,-0.2 0.870 106.7 52.5 -70.2 -39.2 108.4 79.3 78.0 187 187 A W H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.954 110.0 48.5 -60.5 -49.9 104.8 77.9 77.9 188 188 A S H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.916 111.4 49.7 -56.1 -47.4 103.4 81.4 77.9 189 189 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.880 106.6 55.6 -61.8 -37.6 105.7 82.5 75.1 190 190 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 76,-0.2 -1,-0.2 0.931 109.4 47.8 -60.1 -41.6 104.7 79.4 73.1 191 191 A C H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 11,-0.3 0.888 112.1 47.9 -65.4 -42.0 101.1 80.6 73.4 192 192 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.875 109.6 54.4 -67.6 -36.0 102.0 84.2 72.4 193 193 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.950 109.3 46.5 -60.1 -52.7 104.0 82.8 69.4 194 194 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.877 111.9 52.7 -58.2 -40.6 101.0 80.8 68.1 195 195 A E H X S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.2 5,-0.4 0.873 106.7 51.7 -64.5 -39.4 98.7 83.9 68.6 196 196 A M H < S+ 0 0 3 -4,-2.2 -97,-0.6 2,-0.2 -1,-0.2 0.891 114.8 43.5 -64.4 -39.9 101.0 86.1 66.6 197 197 A V H < S+ 0 0 20 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.6 30.4 -71.7 -49.9 101.0 83.6 63.7 198 198 A T H < S- 0 0 46 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.704 95.9-131.7 -86.9 -18.3 97.3 82.7 63.6 199 199 A R S < S+ 0 0 139 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.1 0.773 78.6 90.2 69.4 33.3 95.9 86.1 64.8 200 200 A R S S- 0 0 205 -5,-0.4 -2,-0.2 -6,-0.3 -1,-0.2 -0.976 88.7 -96.2-154.3 141.1 93.7 84.3 67.3 201 201 A A - 0 0 23 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.362 27.6-143.2 -60.9 141.9 94.4 83.3 71.0 202 202 A L S S+ 0 0 34 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.951 90.1 12.7 -71.2 -52.1 95.5 79.6 71.2 203 203 A F + 0 0 2 -36,-0.3 2,-2.1 2,-0.1 -1,-0.2 -0.673 68.7 177.6-130.0 76.2 93.7 78.8 74.5 204 204 A P + 0 0 42 0, 0.0 7,-0.1 0, 0.0 -37,-0.0 -0.384 18.6 172.4 -80.0 67.0 91.1 81.5 75.4 205 205 A G - 0 0 2 -2,-2.1 -39,-0.4 1,-0.1 -38,-0.2 -0.350 27.2-160.5 -74.6 155.6 89.7 79.8 78.5 206 206 A D S S+ 0 0 135 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.237 75.4 24.9-118.9 12.9 87.3 81.7 80.7 207 207 A S S > S- 0 0 45 1,-0.1 4,-2.7 -41,-0.0 5,-0.2 -0.949 88.4-101.6-162.0 163.8 87.7 79.6 83.9 208 208 A E H > S+ 0 0 120 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.925 124.1 43.1 -61.8 -41.4 90.4 77.4 85.2 209 209 A I H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 113.7 50.4 -73.3 -36.4 88.7 74.3 84.2 210 210 A D H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.856 111.3 50.9 -66.1 -34.7 87.7 75.7 80.8 211 211 A Q H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.963 112.1 45.7 -64.6 -53.2 91.4 76.8 80.3 212 212 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.909 112.7 50.0 -57.3 -45.6 92.7 73.3 81.2 213 213 A F H X S+ 0 0 36 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.843 107.4 54.0 -69.3 -27.4 90.1 71.5 78.9 214 214 A R H X S+ 0 0 79 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.871 109.0 49.0 -71.6 -34.2 90.9 73.7 76.0 215 215 A I H >X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 3,-0.6 0.961 113.4 48.1 -66.5 -48.7 94.6 72.7 76.4 216 216 A F H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.857 105.9 55.5 -58.2 -46.6 93.6 69.0 76.6 217 217 A R H 3< S+ 0 0 98 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.794 119.5 33.8 -57.7 -31.3 91.3 69.1 73.5 218 218 A T H << S+ 0 0 21 -4,-1.0 28,-3.3 -3,-0.6 -2,-0.2 0.896 130.9 27.6 -90.6 -52.3 94.3 70.4 71.5 219 219 A L H < S- 0 0 7 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.550 113.9-105.4 -92.9 -5.3 97.3 68.8 72.9 220 220 A G < - 0 0 7 -4,-2.0 24,-0.2 24,-0.5 -1,-0.2 0.049 43.9 -67.4 94.1 148.9 95.6 65.6 74.2 221 221 A T - 0 0 23 22,-2.4 24,-0.1 -4,-0.1 2,-0.0 -0.593 62.9-118.1 -70.2 124.7 94.8 64.8 77.8 222 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.362 37.8 179.6 -65.5 145.8 98.2 64.3 79.5 223 223 A D > - 0 0 78 -2,-0.0 4,-2.7 7,-0.0 7,-0.2 -0.782 46.7 -85.8-134.3-179.5 99.0 60.9 81.0 224 224 A E T 4 S+ 0 0 78 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.688 121.6 60.2 -63.9 -19.3 101.8 59.2 82.8 225 225 A V T 4 S+ 0 0 121 2,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.971 117.7 26.5 -74.2 -51.1 103.5 58.3 79.5 226 226 A V T 4 S+ 0 0 67 1,-0.3 44,-0.5 43,-0.0 -2,-0.2 0.779 138.3 25.9 -82.7 -26.6 103.9 61.9 78.3 227 227 A W S >< S- 0 0 12 -4,-2.7 3,-1.9 42,-0.1 4,-0.3 -0.790 78.9-151.4-139.4 89.2 104.0 63.6 81.8 228 228 A P T 3 S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.469 85.2 21.6 -63.2 126.8 105.2 61.3 84.6 229 229 A G T > S+ 0 0 35 -2,-0.2 3,-1.4 4,-0.0 4,-0.3 0.315 84.8 120.6 98.3 -4.8 103.7 62.3 87.9 230 230 A V G X S+ 0 0 0 -3,-1.9 3,-1.7 1,-0.3 6,-0.1 0.875 70.4 56.2 -59.5 -39.1 100.7 64.2 86.3 231 231 A T G 3 S+ 0 0 63 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.540 103.0 56.0 -74.2 -5.1 98.1 62.0 88.0 232 232 A S G < S+ 0 0 102 -3,-1.4 -1,-0.3 5,-0.0 -2,-0.2 0.397 79.9 121.6-103.4 -2.4 99.5 62.8 91.4 233 233 A M S X S- 0 0 27 -3,-1.7 3,-1.5 -4,-0.3 -57,-0.1 -0.332 75.1-113.6 -62.5 144.6 99.1 66.6 90.8 234 234 A P T 3 S+ 0 0 73 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.890 111.7 30.8 -45.6 -56.2 96.9 68.3 93.4 235 235 A D T 3 S+ 0 0 81 -60,-2.2 2,-0.2 2,-0.1 -59,-0.1 0.212 88.9 122.3 -95.0 15.2 94.0 69.2 91.1 236 236 A Y < - 0 0 44 -3,-1.5 -5,-0.0 -61,-0.4 3,-0.0 -0.570 45.4-162.2 -74.6 143.5 94.4 66.3 88.8 237 237 A K > - 0 0 108 -2,-0.2 3,-1.7 1,-0.1 -2,-0.1 -0.998 24.8-142.6-130.4 131.9 91.1 64.3 88.6 238 238 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.718 101.6 67.8 -62.7 -19.6 90.8 60.7 87.3 239 239 A S T 3 + 0 0 103 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.340 68.9 125.2 -82.2 4.6 87.5 61.9 85.8 240 240 A F S < S- 0 0 24 -3,-1.7 2,-0.1 1,-0.1 -19,-0.0 -0.405 71.2-107.2 -64.3 140.7 89.0 64.3 83.3 241 241 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.407 29.3-125.1 -66.9 146.6 87.8 63.5 79.8 242 242 A K + 0 0 193 -2,-0.1 2,-0.3 -3,-0.1 -25,-0.0 -0.858 34.8 179.6-101.0 110.9 90.4 61.8 77.6 243 243 A W - 0 0 74 -2,-0.8 -22,-2.4 -27,-0.1 2,-0.2 -0.834 24.9-118.0-107.2 153.0 90.9 63.8 74.4 244 244 A A - 0 0 80 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.2 -0.528 32.3-103.4 -88.2 154.4 93.3 63.0 71.6 245 245 A R - 0 0 115 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.536 34.4-135.9 -77.8 138.4 96.1 65.3 70.5 246 246 A Q - 0 0 62 -28,-3.3 2,-0.4 -2,-0.2 -1,-0.1 -0.496 25.6 -95.7 -90.8 165.7 95.6 67.3 67.4 247 247 A D >> - 0 0 102 -2,-0.2 3,-1.6 1,-0.1 4,-1.3 -0.680 23.4-141.0 -83.8 130.6 98.1 67.9 64.5 248 248 A F H 3> S+ 0 0 18 -2,-0.4 4,-2.9 1,-0.3 -1,-0.1 0.718 101.4 68.3 -62.7 -23.9 100.0 71.1 64.9 249 249 A S H 34 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.766 106.7 40.9 -66.1 -23.7 99.7 71.6 61.2 250 250 A K H <4 S+ 0 0 144 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.750 116.1 51.5 -90.1 -30.3 96.0 72.1 61.8 251 251 A V H < S+ 0 0 28 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.910 121.7 22.6 -77.4 -46.3 96.6 74.2 65.0 252 252 A V S >< S- 0 0 1 -4,-2.9 3,-2.2 3,-0.1 -1,-0.2 -0.245 87.0-161.0-121.9 51.8 99.1 76.8 63.7 253 253 A P T 3 + 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.448 68.0 19.3 -69.6 147.3 98.8 77.2 59.9 254 254 A P T 3 S+ 0 0 120 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.721 86.0 123.6-106.3 42.0 100.8 78.4 58.0 255 255 A L < - 0 0 9 -3,-2.2 -3,-0.1 1,-0.1 -61,-0.0 -0.270 59.4-121.9 -58.1 137.0 103.8 78.1 60.2 256 256 A D > - 0 0 62 -3,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.209 31.1 -87.8 -76.9 175.6 106.7 76.1 58.6 257 257 A E H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.795 124.3 50.8 -51.5 -42.6 108.4 73.0 59.9 258 258 A D H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.923 112.5 46.0 -64.1 -47.6 111.0 74.8 61.9 259 259 A G H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.906 114.0 48.0 -63.7 -43.0 108.5 77.0 63.7 260 260 A R H X S+ 0 0 56 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.884 111.0 51.2 -65.9 -40.1 106.2 74.1 64.4 261 261 A S H X S+ 0 0 44 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.937 113.4 45.3 -60.8 -45.4 109.1 72.0 65.7 262 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.3 0.936 112.8 50.7 -63.8 -46.8 110.1 74.9 68.0 263 263 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 3,-0.3 0.909 106.4 53.7 -59.4 -43.0 106.5 75.5 69.2 264 264 A S H < S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 109.3 49.6 -64.3 -28.0 105.9 71.9 70.0 265 265 A Q H >< S+ 0 0 71 -4,-1.3 10,-2.0 -3,-0.3 3,-0.7 0.781 109.8 50.3 -78.4 -27.9 109.0 72.0 72.2 266 266 A M H 3< S+ 0 0 0 -4,-1.5 -76,-0.2 -3,-0.3 -2,-0.2 0.745 111.9 50.7 -76.3 -27.0 107.8 75.1 74.0 267 267 A L T 3< S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.008 75.3 139.3-101.6 25.4 104.4 73.4 74.5 268 268 A H < - 0 0 62 -3,-0.7 6,-0.1 1,-0.1 -3,-0.1 -0.516 51.2-138.6 -69.7 138.9 105.7 70.1 76.1 269 269 A Y S S+ 0 0 11 -2,-0.2 -97,-0.2 -50,-0.1 -1,-0.1 0.962 86.8 75.5 -61.7 -54.2 103.4 69.0 79.0 270 270 A D S >> S- 0 0 19 -44,-0.5 4,-1.4 1,-0.2 3,-1.0 -0.475 75.2-148.8 -64.8 118.6 106.3 67.9 81.2 271 271 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.825 98.4 54.7 -57.4 -33.5 108.0 71.1 82.6 272 272 A N T 34 S+ 0 0 148 1,-0.2 -2,-0.1 -91,-0.0 -3,-0.0 0.749 108.8 45.6 -73.0 -29.2 111.3 69.2 82.6 273 273 A K T <4 S+ 0 0 104 -3,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.644 88.3 109.4 -84.5 -23.2 111.1 68.3 78.9 274 274 A R S < S- 0 0 14 -4,-1.4 -8,-0.2 -6,-0.1 -9,-0.1 -0.278 80.8-103.4 -56.8 139.7 110.1 71.8 77.8 275 275 A I - 0 0 22 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.370 33.9-126.6 -65.5 144.3 112.8 73.6 75.9 276 276 A S > - 0 0 61 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.523 20.7-112.7 -86.5 162.2 114.8 76.3 77.8 277 277 A A H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -161,-0.1 0.925 117.7 53.2 -59.3 -44.1 115.1 79.9 76.6 278 278 A K H 4 S+ 0 0 160 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.906 111.3 43.0 -57.8 -49.0 118.9 79.3 76.0 279 279 A A H >4 S+ 0 0 49 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.847 108.8 59.9 -67.7 -35.7 118.4 76.1 73.9 280 280 A A H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.815 95.0 62.6 -62.4 -31.9 115.6 77.8 71.9 281 281 A L T 3< S+ 0 0 39 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.746 103.0 52.3 -65.3 -22.7 118.0 80.6 70.8 282 282 A A T < S+ 0 0 85 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.418 83.3 121.8 -91.9 -0.7 120.0 77.8 69.1 283 283 A H S X S- 0 0 20 -3,-1.6 3,-2.1 -4,-0.2 4,-0.2 -0.337 73.4-120.0 -67.0 145.4 116.9 76.4 67.2 284 284 A P G > S+ 0 0 58 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.743 106.6 78.4 -54.8 -25.1 117.1 76.3 63.3 285 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.841 94.8 48.2 -55.6 -29.3 114.0 78.5 63.2 286 286 A F G X S+ 0 0 10 -3,-2.1 3,-2.1 -6,-0.2 -1,-0.3 0.434 76.5 104.0 -94.3 2.6 116.4 81.5 64.0 287 287 A Q T < S+ 0 0 169 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.808 92.1 33.8 -55.6 -32.7 119.1 80.9 61.4 288 288 A D T 3 S+ 0 0 110 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.029 86.4 146.8-111.2 27.3 117.8 83.6 59.1 289 289 A V < + 0 0 40 -3,-2.1 2,-0.2 -184,-0.1 -186,-0.1 -0.372 19.2 172.5 -66.3 144.4 116.6 86.0 61.9 290 290 A T - 0 0 86 -188,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.747 36.0-112.2-135.8-176.9 117.0 89.7 61.1 291 291 A K - 0 0 135 -2,-0.2 2,-0.1 -185,-0.1 -188,-0.1 -0.827 38.8-179.4-127.5 86.9 115.8 92.9 62.9 292 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.440 30.7-106.8 -83.3 165.4 113.2 94.6 60.8 293 293 A V - 0 0 110 -2,-0.1 -155,-0.1 1,-0.1 -156,-0.1 -0.821 35.2-128.1 -94.9 127.0 111.4 97.9 61.7 294 294 A P - 0 0 18 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.138 16.9-111.8 -69.5 167.9 107.7 97.7 62.8 295 295 A H + 0 0 88 -205,-0.1 2,-0.4 2,-0.0 -158,-0.0 -0.797 54.0 149.4-101.6 89.4 104.8 99.6 61.5 296 296 A L - 0 0 23 -2,-0.9 2,-0.6 -159,-0.1 -206,-0.0 -0.976 31.2-170.2-137.2 135.3 103.6 102.0 64.1 297 297 A R 0 0 246 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.974 360.0 360.0-117.1 111.2 101.9 105.4 64.2 298 298 A L 0 0 150 -2,-0.6 -213,-0.0 -213,-0.0 -2,-0.0 -0.511 360.0 360.0 -86.9 360.0 101.8 106.9 67.7