==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-FEB-11 3QQF . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.2 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 . 38 12.9 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 . 1 0.3 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 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 3 1 0 1 0 1 1 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 . 0 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 84 0, 0.0 5,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-130.1 79.2 56.8 -48.1 2 2 A E + 0 0 143 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.624 360.0 57.6 -93.1 -14.7 79.6 60.4 -49.4 3 3 A N S S+ 0 0 86 20,-0.0 21,-2.0 21,-0.0 22,-0.4 0.467 106.0 60.7 -92.1 -3.1 77.7 59.9 -52.7 4 4 A F E S-A 23 0A 23 19,-0.2 2,-0.6 -3,-0.2 19,-0.2 -0.936 71.8-141.5-126.7 148.2 74.6 58.8 -50.8 5 5 A Q E -A 22 0A 102 17,-1.7 17,-1.5 -2,-0.3 2,-0.1 -0.934 29.4-124.9-109.4 111.8 72.4 60.4 -48.2 6 6 A K E +A 21 0A 130 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.375 30.8 178.5 -56.7 124.1 71.3 57.9 -45.6 7 7 A V E - 0 0 66 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.677 62.0 -26.9-100.9 -24.4 67.5 57.9 -45.5 8 8 A E E -A 20 0A 121 12,-1.3 12,-3.1 3,-0.0 2,-1.1 -0.904 62.6 -98.3 177.2 154.5 67.0 55.3 -42.9 9 9 A K E -A 19 0A 108 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.778 29.5-167.5 -89.5 100.4 68.5 52.2 -41.3 10 10 A I E - 0 0 72 -2,-1.1 2,-0.3 8,-0.7 9,-0.2 0.702 55.6 -89.7 -61.0 -17.7 66.7 49.4 -43.2 11 11 A G E -A 18 0A 27 7,-1.4 7,-2.4 -3,-0.1 2,-0.4 -0.952 43.9 -64.2 143.6-163.0 68.2 47.1 -40.5 12 12 A E E -A 17 0A 100 -2,-0.3 5,-0.3 5,-0.2 21,-0.0 -0.810 51.8-162.6-132.6 92.1 71.2 45.0 -39.7 13 13 A G - 0 0 13 3,-1.2 143,-0.1 -2,-0.4 142,-0.1 0.327 37.3 -90.6 -59.9-169.3 71.6 42.0 -42.1 14 14 A T S S+ 0 0 26 141,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.617 126.4 34.2 -82.4 -15.5 73.7 38.8 -41.9 15 15 A Y S S- 0 0 35 1,-0.4 21,-1.1 141,-0.1 2,-0.3 0.784 129.1 -49.1-104.8 -45.9 76.7 40.5 -43.5 16 16 A G S S- 0 0 2 19,-0.2 -3,-1.2 20,-0.1 -1,-0.4 -0.906 76.5 -41.8-168.3-165.2 76.5 44.0 -42.2 17 17 A V E -A 12 0A 24 17,-0.3 17,-2.7 -2,-0.3 2,-0.4 -0.542 48.9-150.7 -81.1 144.0 74.3 47.1 -41.7 18 18 A V E -AB 11 33A 24 -7,-2.4 -7,-1.4 15,-0.2 -8,-0.7 -0.957 11.8-172.0-120.0 135.8 71.9 48.1 -44.4 19 19 A Y E -AB 9 32A 39 13,-2.6 13,-3.3 -2,-0.4 2,-0.5 -0.911 26.7-128.6-124.4 150.3 70.7 51.6 -45.2 20 20 A K E +AB 8 31A 40 -12,-3.1 -13,-3.4 -2,-0.3 -12,-1.3 -0.836 45.8 178.4 -89.6 133.4 68.0 53.1 -47.5 21 21 A A E -AB 6 30A 0 9,-2.9 9,-3.2 -2,-0.5 2,-0.5 -0.985 29.3-136.4-142.7 153.7 70.0 55.7 -49.4 22 22 A R E -AB 5 29A 105 -17,-1.5 -17,-1.7 -2,-0.3 2,-0.8 -0.936 25.6-123.7-113.2 127.1 69.5 58.3 -52.1 23 23 A N E > -A 4 0A 28 5,-3.5 4,-2.3 -2,-0.5 -19,-0.2 -0.572 18.2-144.9 -68.4 108.3 72.0 58.8 -54.8 24 24 A K T 4 S+ 0 0 127 -21,-2.0 -1,-0.2 -2,-0.8 -20,-0.1 0.762 94.7 35.5 -46.7 -28.0 72.8 62.5 -54.5 25 25 A L T 4 S+ 0 0 156 -22,-0.4 -1,-0.1 3,-0.1 -2,-0.0 0.814 123.7 30.9 -89.0 -95.1 73.2 62.5 -58.2 26 26 A T T 4 S- 0 0 101 1,-0.2 -2,-0.1 -4,-0.0 3,-0.1 0.699 95.0-131.2 -37.5 -27.8 70.8 60.1 -60.1 27 27 A G < + 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.405 54.7 155.0 83.6 -3.1 68.3 60.8 -57.3 28 28 A E - 0 0 84 -5,-0.1 -5,-3.5 -6,-0.1 2,-0.5 -0.278 40.8-139.3 -59.5 137.6 67.9 57.0 -57.3 29 29 A V E +B 22 0A 54 -7,-0.2 50,-0.6 -3,-0.1 2,-0.2 -0.916 36.6 161.9-103.1 125.3 66.8 55.5 -54.0 30 30 A V E -BC 21 78A 0 -9,-3.2 -9,-2.9 -2,-0.5 2,-0.5 -0.783 42.8-108.1-135.8 174.7 68.7 52.3 -53.2 31 31 A A E -BC 20 77A 14 46,-2.5 46,-2.8 -2,-0.2 2,-0.5 -0.953 32.7-160.5-108.9 128.2 69.5 49.8 -50.4 32 32 A L E -BC 19 76A 4 -13,-3.3 -13,-2.6 -2,-0.5 2,-0.5 -0.942 3.4-165.3-115.4 120.2 73.2 50.1 -49.4 33 33 A K E -BC 18 75A 8 42,-2.6 42,-2.3 -2,-0.5 2,-0.6 -0.907 10.2-149.4-108.7 128.0 74.8 47.2 -47.5 34 34 A K E - C 0 74A 44 -17,-2.7 2,-0.4 -2,-0.5 -17,-0.3 -0.856 21.0-140.6 -93.3 120.4 78.1 47.7 -45.7 35 35 A I E C 0 73A 13 38,-3.9 38,-1.1 -2,-0.6 -19,-0.2 -0.718 360.0 360.0 -90.2 130.9 79.9 44.4 -45.8 36 36 A R 0 0 139 -21,-1.1 -1,-0.2 -2,-0.4 -20,-0.1 0.965 360.0 360.0 -63.1 360.0 81.8 43.3 -42.7 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 41 A T 0 0 106 0, 0.0 2,-0.2 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 -34.5 87.3 43.4 -42.3 39 42 A E - 0 0 158 0, 0.0 2,-0.1 0, 0.0 33,-0.0 -0.641 360.0 -7.3-172.3 108.5 90.8 44.0 -43.7 40 43 A G S S- 0 0 51 -2,-0.2 31,-0.1 1,-0.1 32,-0.1 -0.181 86.6-130.2 97.6 -41.9 92.1 43.6 -47.2 41 44 A V - 0 0 18 30,-0.2 -1,-0.1 -2,-0.1 5,-0.1 0.914 27.7 -94.4 56.9 104.9 88.9 42.0 -48.5 42 45 A P >> - 0 0 86 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.188 24.7-145.9 -48.9 124.1 89.6 38.7 -50.5 43 46 A S H 3> S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.774 97.3 67.6 -64.2 -26.8 89.8 39.5 -54.2 44 47 A T H 3> S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 101.9 46.4 -58.6 -43.9 88.1 36.1 -54.8 45 48 A A H <> S+ 0 0 2 -3,-0.6 4,-3.4 1,-0.2 5,-0.3 0.884 108.1 57.0 -65.7 -39.6 85.0 37.5 -53.3 46 49 A I H X S+ 0 0 34 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.925 110.2 43.0 -58.4 -47.2 85.2 40.7 -55.3 47 50 A R H X S+ 0 0 144 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.924 116.0 49.7 -65.4 -44.0 85.3 38.7 -58.6 48 51 A E H >X S+ 0 0 74 -4,-2.2 4,-1.1 -5,-0.2 3,-0.9 0.979 114.0 43.3 -55.9 -61.5 82.5 36.5 -57.4 49 52 A I H >< S+ 0 0 0 -4,-3.4 3,-1.1 1,-0.3 4,-0.5 0.907 110.4 57.7 -52.6 -45.7 80.3 39.3 -56.2 50 53 A S H >< S+ 0 0 40 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.3 0.816 99.5 58.5 -56.6 -33.6 81.1 41.3 -59.4 51 54 A L H X< S+ 0 0 116 -4,-1.6 3,-1.7 -3,-0.9 4,-0.3 0.828 95.4 65.2 -66.6 -30.4 79.7 38.4 -61.5 52 55 A L G X< S+ 0 0 22 -3,-1.1 3,-1.0 -4,-1.1 11,-0.4 0.667 81.8 75.7 -68.1 -16.0 76.4 38.7 -59.8 53 56 A K G < S+ 0 0 49 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.737 95.7 52.3 -66.7 -18.4 75.8 42.2 -61.3 54 57 A E G < S+ 0 0 129 -3,-1.7 2,-1.8 -4,-0.2 -1,-0.3 0.585 82.8 95.5 -91.5 -11.8 75.1 40.3 -64.5 55 58 A L < + 0 0 18 -3,-1.0 2,-0.4 -4,-0.3 8,-0.2 -0.535 57.0 164.5 -81.7 75.9 72.5 38.0 -62.9 56 59 A N + 0 0 73 -2,-1.8 5,-0.1 6,-0.1 -3,-0.0 -0.830 4.9 142.5-105.0 129.6 69.4 40.0 -63.8 57 60 A H > - 0 0 41 3,-0.5 3,-2.2 -2,-0.4 54,-0.0 -0.969 57.1-110.7-158.6 147.1 65.8 38.7 -63.7 58 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.736 118.6 46.9 -54.8 -26.5 62.4 40.3 -62.7 59 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.141 98.7 80.8-105.9 21.6 62.3 38.2 -59.6 60 63 A I B < S-e 140 0B 9 -3,-2.2 -3,-0.5 79,-0.3 2,-0.3 -0.995 86.7-116.3-125.9 125.1 65.8 38.8 -58.4 61 64 A V - 0 0 10 79,-2.6 81,-0.2 -2,-0.4 82,-0.2 -0.423 42.3-115.0 -59.2 122.8 66.7 42.0 -56.5 62 65 A K - 0 0 76 -2,-0.3 16,-2.5 -4,-0.1 2,-0.9 -0.393 14.4-142.1 -69.5 132.7 69.1 43.8 -58.9 63 66 A L E -D 77 0A 10 -11,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.847 22.6-179.1 -90.1 108.0 72.7 44.2 -57.7 64 67 A L E - 0 0 33 12,-2.2 2,-0.3 -2,-0.9 13,-0.2 0.879 57.4 -7.9 -78.7 -40.0 73.5 47.7 -59.0 65 68 A D E -D 76 0A 86 11,-1.6 11,-3.2 2,-0.0 2,-0.5 -0.995 46.7-147.7-160.0 152.2 77.1 48.1 -57.9 66 69 A V E -D 75 0A 27 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.992 21.6-168.2-122.6 124.3 79.8 46.6 -55.8 67 70 A I E -D 74 0A 40 7,-3.3 7,-3.1 -2,-0.5 2,-0.6 -0.948 6.1-167.4-122.7 117.2 82.2 49.1 -54.2 68 71 A H E +D 73 0A 80 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.894 29.6 135.6-104.2 117.6 85.5 48.1 -52.5 69 72 A T E > +D 72 0A 43 3,-2.7 3,-2.7 -2,-0.6 -2,-0.1 -0.980 58.8 1.0-160.2 148.3 87.2 50.8 -50.4 70 73 A E T 3 S- 0 0 149 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.839 122.7 -56.7 38.2 57.8 88.9 51.3 -47.1 71 74 A N T 3 S+ 0 0 87 1,-0.2 2,-0.4 -31,-0.1 -1,-0.3 0.524 120.7 105.7 59.3 2.9 88.7 47.7 -45.9 72 75 A K E < - D 0 69A 92 -3,-2.7 -3,-2.7 -32,-0.1 2,-0.4 -0.885 58.4-152.6-114.6 146.6 84.9 48.0 -46.4 73 76 A L E -CD 35 68A 2 -38,-1.1 -38,-3.9 -2,-0.4 2,-0.4 -0.970 10.0-161.3-118.7 131.7 82.8 46.5 -49.2 74 77 A Y E -CD 34 67A 31 -7,-3.1 -7,-3.3 -2,-0.4 2,-0.5 -0.951 4.2-164.4-117.6 132.4 79.6 48.2 -50.3 75 78 A L E -CD 33 66A 0 -42,-2.3 -42,-2.6 -2,-0.4 2,-0.6 -0.952 7.8-156.2-113.6 128.5 76.8 46.5 -52.2 76 79 A V E -CD 32 65A 6 -11,-3.2 -12,-2.2 -2,-0.5 -11,-1.6 -0.941 19.2-177.9-108.6 123.7 74.2 48.7 -53.8 77 80 A F E -CD 31 63A 19 -46,-2.8 -46,-2.5 -2,-0.6 -14,-0.2 -0.847 36.1 -93.0-121.0 157.3 70.9 47.0 -54.5 78 81 A E E -C 30 0A 50 -16,-2.5 2,-0.4 -2,-0.3 -48,-0.2 -0.337 52.1-120.7 -57.1 141.5 67.5 47.9 -56.1 79 82 A F + 0 0 42 -50,-0.6 2,-0.4 -49,-0.0 -1,-0.1 -0.780 31.2 179.9 -97.6 135.8 65.2 49.1 -53.2 80 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.984 26.7-133.3-129.6 142.9 61.9 47.4 -52.3 81 84 A H S S+ 0 0 110 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.631 76.9 22.4 -73.9 -19.7 59.7 48.7 -49.5 82 85 A Q E -F 132 0B 13 50,-1.2 50,-2.6 4,-0.0 2,-0.3 -0.986 60.7-138.9-148.6 157.0 58.8 45.6 -47.6 83 86 A D E > -F 131 0B 48 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.750 31.9-112.1-111.3 164.9 59.9 42.0 -46.9 84 87 A L H > S+ 0 0 0 46,-2.6 4,-2.8 43,-1.1 5,-0.2 0.797 113.4 61.6 -67.3 -28.0 57.7 38.9 -46.7 85 88 A K H > S+ 0 0 99 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.958 108.3 42.9 -63.4 -47.2 58.4 38.5 -43.0 86 89 A K H > S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 114.5 50.9 -63.5 -43.4 56.8 41.8 -42.3 87 90 A F H X S+ 0 0 8 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.888 109.9 50.1 -61.3 -41.9 53.9 41.1 -44.7 88 91 A M H < S+ 0 0 19 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.932 111.1 48.4 -64.8 -42.7 53.2 37.8 -43.1 89 92 A D H >< S+ 0 0 103 -4,-2.2 3,-1.2 1,-0.2 4,-0.2 0.933 112.6 49.0 -61.3 -44.5 53.1 39.3 -39.7 90 93 A A H 3< S+ 0 0 78 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.774 114.8 44.9 -64.2 -27.9 50.8 42.0 -41.0 91 94 A S T 3X S+ 0 0 16 -4,-1.7 4,-3.8 -5,-0.2 3,-0.4 0.337 81.6 109.2 -97.6 5.2 48.6 39.4 -42.6 92 95 A A T <4 S+ 0 0 46 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.765 74.2 51.7 -52.6 -35.4 48.6 37.1 -39.5 93 96 A L T 4 S+ 0 0 168 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.893 128.5 17.2 -71.4 -41.3 45.0 37.7 -38.5 94 97 A T T 4 S- 0 0 112 -3,-0.4 -2,-0.2 1,-0.0 -1,-0.1 0.640 104.1-129.6-105.4 -22.7 43.4 37.0 -41.9 95 98 A G < - 0 0 8 -4,-3.8 -3,-0.1 -7,-0.2 99,-0.1 0.168 33.7 -70.2 83.8 151.8 46.2 35.1 -43.6 96 99 A I - 0 0 12 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.669 62.4-106.8 -76.3 130.0 47.6 35.8 -47.1 97 100 A P >> - 0 0 78 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.282 25.4-117.0 -58.5 143.0 44.9 34.8 -49.6 98 101 A L H 3> S+ 0 0 63 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.853 112.8 57.9 -51.4 -40.6 45.7 31.5 -51.5 99 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.880 110.4 43.7 -59.1 -35.7 45.8 33.3 -54.9 100 103 A L H <> S+ 0 0 4 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.861 111.7 52.4 -77.2 -36.6 48.6 35.6 -53.6 101 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.947 112.7 46.7 -60.8 -45.5 50.5 32.8 -51.9 102 105 A K H X S+ 0 0 13 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.904 111.6 50.1 -64.3 -42.5 50.4 30.9 -55.2 103 106 A S H X S+ 0 0 5 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.940 113.1 46.6 -60.6 -47.4 51.5 34.0 -57.2 104 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.931 112.7 48.5 -62.8 -46.0 54.4 34.6 -54.8 105 108 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.930 112.1 50.1 -59.9 -43.4 55.5 30.9 -54.8 106 109 A F H X S+ 0 0 52 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.916 112.4 46.4 -60.5 -44.7 55.3 30.8 -58.6 107 110 A Q H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.913 111.4 51.5 -66.0 -40.9 57.4 34.0 -59.0 108 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.897 109.1 51.0 -63.6 -39.6 60.0 32.8 -56.4 109 112 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.871 107.9 52.6 -65.7 -35.9 60.3 29.5 -58.4 110 113 A Q H X S+ 0 0 63 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.930 110.3 48.7 -63.5 -42.3 60.8 31.5 -61.6 111 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 113.4 46.2 -62.5 -43.8 63.6 33.4 -59.8 112 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.927 109.4 54.4 -65.6 -44.5 65.2 30.2 -58.5 113 116 A A H X S+ 0 0 24 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.918 110.6 47.8 -55.5 -42.7 64.9 28.5 -61.9 114 117 A F H X S+ 0 0 46 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.967 115.1 42.9 -62.1 -53.7 66.8 31.4 -63.4 115 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.9 0.936 114.8 50.1 -59.2 -46.6 69.6 31.5 -60.8 116 119 A H H ><5S+ 0 0 26 -4,-3.3 3,-1.6 1,-0.3 -1,-0.2 0.848 105.1 56.9 -61.8 -35.6 69.9 27.7 -60.8 117 120 A S H 3<5S+ 0 0 86 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.751 109.2 48.0 -67.6 -21.8 70.2 27.6 -64.6 118 121 A H T <<5S- 0 0 100 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.173 121.3-109.5-101.9 16.0 73.1 30.0 -64.3 119 122 A R T < 5S+ 0 0 176 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.834 74.6 135.3 60.0 38.4 74.8 27.9 -61.5 120 123 A V < - 0 0 22 -5,-2.3 2,-0.3 -8,-0.2 -1,-0.2 -0.976 34.6-166.6-118.5 128.9 74.0 30.4 -58.8 121 124 A L - 0 0 21 -2,-0.5 23,-1.6 1,-0.2 26,-0.3 -0.792 16.7-155.9-110.6 153.2 72.7 29.2 -55.4 122 125 A H - 0 0 4 -2,-0.3 24,-0.5 21,-0.2 25,-0.2 0.906 17.3-178.4 -89.4 -58.1 71.1 31.3 -52.7 123 126 A R + 0 0 33 56,-0.1 -1,-0.1 55,-0.1 20,-0.1 0.110 69.6 55.4 83.5 -20.0 71.8 29.0 -49.7 124 127 A D + 0 0 29 18,-0.1 2,-0.1 42,-0.1 5,-0.1 -0.175 66.8 163.0-138.8 46.4 70.1 31.2 -47.1 125 128 A L + 0 0 1 40,-0.2 40,-0.1 3,-0.1 17,-0.0 -0.416 10.5 148.1 -66.3 139.3 66.5 31.9 -48.2 126 129 A K > - 0 0 8 -2,-0.1 3,-2.0 38,-0.0 -42,-0.2 -0.949 61.6 -93.7-164.5 159.1 64.2 33.2 -45.5 127 130 A P G > S+ 0 0 4 0, 0.0 3,-1.6 0, 0.0 -43,-1.1 0.817 118.8 64.3 -50.8 -35.1 61.1 35.5 -45.4 128 131 A Q G 3 S+ 0 0 81 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.710 103.1 46.8 -66.7 -22.9 63.4 38.4 -44.6 129 132 A N G < S+ 0 0 5 -3,-2.0 12,-2.6 -5,-0.1 2,-0.6 0.196 90.0 90.5-105.7 22.2 65.2 38.2 -47.9 130 133 A L E < - G 0 140B 0 -3,-1.6 -46,-2.6 10,-0.2 2,-0.3 -0.962 66.8-161.3-110.3 114.1 62.1 37.9 -50.0 131 134 A L E -FG 83 139B 32 8,-2.7 8,-2.6 -2,-0.6 2,-0.3 -0.768 6.8-165.3-104.2 144.3 61.1 41.5 -51.0 132 135 A I E -FG 82 138B 0 -50,-2.6 -50,-1.2 -2,-0.3 2,-0.2 -0.869 4.3-163.8-126.7 158.2 57.7 42.7 -52.3 133 136 A N > - 0 0 38 4,-1.5 3,-1.2 -2,-0.3 -53,-0.1 -0.743 41.0 -94.5-129.2 179.2 56.3 45.8 -53.9 134 137 A T T 3 S+ 0 0 80 1,-0.2 159,-0.1 -2,-0.2 -2,-0.0 0.659 113.5 68.8 -69.0 -16.7 52.9 47.3 -54.6 135 138 A E T 3 S- 0 0 142 155,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.421 117.4-102.4 -83.3 -1.8 52.6 45.7 -58.0 136 139 A G S < S+ 0 0 0 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.585 78.2 136.3 90.1 10.0 52.3 42.2 -56.7 137 140 A A - 0 0 11 151,-0.1 -4,-1.5 -30,-0.0 2,-0.4 -0.596 35.0-165.5 -89.5 152.7 55.9 41.3 -57.5 138 141 A I E - G 0 132B 0 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.992 8.8-167.1-134.9 140.9 58.2 39.4 -55.1 139 142 A K E - G 0 131B 28 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.4 -0.981 21.8-120.9-135.2 146.9 62.0 39.1 -55.5 140 143 A L E -eG 60 130B 1 -81,-2.7 -79,-2.6 -2,-0.4 2,-0.3 -0.695 29.7-159.2 -85.3 129.5 64.8 37.1 -54.1 141 144 A A + 0 0 8 -12,-2.6 -79,-0.1 -2,-0.4 -12,-0.0 -0.853 64.5 21.1-112.6 145.9 67.5 39.2 -52.3 142 145 A D S > S+ 0 0 33 -2,-0.3 3,-1.4 1,-0.2 4,-0.5 0.691 71.4 172.0 75.4 24.3 71.1 38.1 -51.6 143 146 A F T 3 + 0 0 12 -3,-0.3 -21,-0.2 1,-0.2 -1,-0.2 -0.423 68.7 7.2 -63.9 139.1 71.5 35.4 -54.2 144 147 A G T 3> S+ 0 0 5 -23,-1.6 4,-2.0 1,-0.1 -1,-0.2 0.353 93.9 109.7 74.3 -5.1 75.1 34.2 -54.5 145 148 A L H <> S+ 0 0 2 -3,-1.4 4,-1.2 2,-0.2 5,-0.1 0.880 73.8 58.1 -70.3 -35.4 76.5 36.1 -51.5 146 149 A A H 4 S+ 0 0 9 -24,-0.5 3,-0.3 -4,-0.5 -1,-0.2 0.924 111.0 41.6 -58.0 -48.6 76.9 32.9 -49.4 147 150 A R H 4 S+ 0 0 138 -26,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.941 111.3 54.7 -64.2 -49.8 79.2 31.4 -52.0 148 151 A A H < S+ 0 0 8 -4,-2.0 -1,-0.2 -100,-0.1 -2,-0.2 0.703 133.1 4.1 -58.1 -19.7 81.1 34.6 -52.7 149 152 A F S < S- 0 0 66 -4,-1.2 2,-0.2 -3,-0.3 -3,-0.2 0.146 83.8-135.7-128.3-114.1 81.8 34.7 -48.9 150 153 A G - 0 0 36 -5,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.846 23.9 -79.5 179.6-142.0 80.9 32.1 -46.3 151 154 A V - 0 0 103 -2,-0.2 4,-0.1 1,-0.1 -136,-0.0 -0.928 24.7-174.0-159.4 130.3 79.4 31.9 -42.8 152 155 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.753 57.9 -72.3 -86.6-107.5 80.8 32.5 -39.2 153 156 A V S S+ 0 0 111 6,-0.0 8,-0.5 2,-0.0 2,-0.1 0.554 109.6 1.6-127.8 -34.3 78.7 31.7 -36.1 154 157 A R S S- 0 0 102 6,-0.1 6,-0.2 1,-0.1 8,-0.0 0.017 100.0 -71.3-124.2-129.3 76.1 34.6 -36.2 155 158 A T S S- 0 0 16 4,-0.3 -141,-0.1 -4,-0.1 -1,-0.1 0.820 84.0 -65.2-100.7 -73.2 75.6 37.4 -38.6 156 159 A Y S S+ 0 0 22 -143,-0.1 2,-0.2 -4,-0.1 -142,-0.1 0.321 122.7 27.5-155.1 -23.7 78.5 39.9 -38.2 157 160 A T S S- 0 0 56 -141,-0.1 -141,-0.0 2,-0.0 0, 0.0 -0.740 125.8 -51.8-153.1 97.3 78.0 41.2 -34.6 158 161 A H S S+ 0 0 159 -2,-0.2 2,-0.3 1,-0.1 -4,-0.0 0.871 86.3 138.0 32.6 77.1 76.2 39.1 -32.0 159 162 A E - 0 0 47 -145,-0.1 -4,-0.3 0, 0.0 2,-0.3 -0.900 55.3-117.0-149.7 114.8 73.0 38.2 -34.0 160 163 A V - 0 0 111 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.327 26.3-130.1 -60.1 115.7 71.5 34.7 -33.9 161 164 A V - 0 0 49 -8,-0.5 2,-0.5 -2,-0.3 -1,-0.1 -0.409 22.8-123.2 -64.0 132.4 71.5 33.0 -37.3 162 165 A T - 0 0 44 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.678 28.4-179.7 -83.8 128.7 68.1 31.6 -38.2 163 166 A L > + 0 0 20 -2,-0.5 3,-1.8 39,-0.4 -1,-0.1 0.437 52.0 105.0-103.7 -1.4 68.1 27.9 -38.9 164 167 A W T 3 S+ 0 0 88 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.689 85.5 39.4 -56.5 -26.9 64.4 27.4 -39.6 165 168 A Y T 3 S+ 0 0 18 -3,-0.2 -1,-0.3 -40,-0.1 2,-0.3 0.286 84.1 125.5-108.6 9.6 64.9 27.2 -43.4 166 169 A R < - 0 0 41 -3,-1.8 -42,-0.1 1,-0.1 16,-0.1 -0.510 60.9-120.6 -77.0 132.2 68.0 25.1 -43.6 167 170 A A >> - 0 0 0 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.317 22.3-116.9 -65.5 150.5 67.9 21.8 -45.6 168 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.840 111.8 61.2 -61.8 -32.1 68.7 18.6 -43.8 169 172 A E H 34>S+ 0 0 6 1,-0.2 5,-2.5 2,-0.2 -3,-0.0 0.851 105.6 48.6 -65.3 -29.9 71.8 17.8 -45.9 170 173 A I H X45S+ 0 0 19 -3,-0.8 3,-1.6 1,-0.2 -1,-0.2 0.924 111.3 49.4 -72.5 -42.9 73.3 21.1 -44.6 171 174 A L H 3<5S+ 0 0 14 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.784 107.1 56.0 -65.9 -27.7 72.4 20.2 -41.0 172 175 A L T 3<5S- 0 0 0 -4,-2.1 60,-3.0 -5,-0.2 61,-0.4 0.308 123.3-103.7 -87.7 7.4 73.9 16.7 -41.4 173 176 A G T < 5 + 0 0 18 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.608 57.4 165.2 86.9 14.1 77.2 18.2 -42.4 174 177 A C < - 0 0 30 -5,-2.5 -1,-0.2 1,-0.2 56,-0.0 -0.462 25.0-156.2 -65.6 133.1 77.3 17.8 -46.2 175 178 A K S S+ 0 0 159 -2,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.663 75.7 65.6 -85.5 -17.8 80.1 20.0 -47.5 176 179 A Y S S- 0 0 206 -3,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.922 70.7-160.6-110.5 114.1 78.7 20.4 -51.0 177 180 A Y - 0 0 69 -2,-0.6 2,-0.2 2,-0.0 -2,-0.0 -0.668 6.5-161.3 -90.0 151.1 75.4 22.2 -51.3 178 181 A S > - 0 0 46 -2,-0.3 3,-2.2 -55,-0.0 4,-0.4 -0.744 40.6 -92.6-122.7 172.1 73.2 21.8 -54.4 179 182 A T T >> S+ 0 0 45 1,-0.3 3,-1.3 -2,-0.2 4,-1.0 0.736 115.6 79.3 -55.7 -22.3 70.4 23.8 -55.8 180 183 A A H 3> S+ 0 0 8 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.767 77.7 68.5 -59.1 -26.7 68.1 21.5 -53.8 181 184 A V H <> S+ 0 0 0 -3,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.859 99.2 50.5 -64.5 -28.7 68.8 23.5 -50.6 182 185 A D H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.4 -1,-0.2 0.858 106.5 52.9 -75.1 -33.9 66.9 26.4 -52.0 183 186 A I H X S+ 0 0 1 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.906 108.9 51.7 -67.2 -40.2 63.9 24.4 -52.9 184 187 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.954 110.4 47.4 -60.4 -50.6 63.8 23.1 -49.3 185 188 A S H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.918 112.0 49.7 -59.0 -43.0 63.9 26.6 -47.9 186 189 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.861 107.6 54.8 -65.4 -33.6 61.2 27.8 -50.3 187 190 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 76,-0.2 -1,-0.2 0.930 107.6 49.8 -63.7 -43.3 59.0 24.8 -49.3 188 191 A C H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 11,-0.4 0.892 112.6 47.6 -61.1 -36.9 59.4 25.8 -45.6 189 192 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.901 108.2 54.0 -72.4 -39.9 58.4 29.3 -46.6 190 193 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.949 110.3 48.0 -57.6 -48.5 55.4 28.1 -48.6 191 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.887 110.2 51.9 -60.0 -41.6 54.2 26.2 -45.6 192 195 A E H X S+ 0 0 25 -4,-1.8 4,-2.0 1,-0.2 5,-0.3 0.868 107.6 51.4 -65.5 -38.0 54.6 29.2 -43.3 193 196 A M H < S+ 0 0 3 -4,-2.3 -97,-0.6 2,-0.2 -1,-0.2 0.910 114.8 44.8 -64.6 -38.4 52.6 31.4 -45.7 194 197 A V H < S+ 0 0 20 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.951 125.0 28.5 -70.4 -50.9 49.8 28.8 -45.6 195 198 A T H < S- 0 0 45 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.642 95.9-130.2 -87.6 -17.9 49.6 28.0 -41.9 196 199 A R S < S+ 0 0 129 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.1 0.734 79.8 88.9 69.5 27.9 50.8 31.4 -40.6 197 200 A R S S- 0 0 198 -5,-0.3 -2,-0.2 -6,-0.3 -1,-0.2 -0.983 89.5 -96.6-149.4 140.5 53.4 29.6 -38.3 198 201 A A - 0 0 16 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.325 29.0-140.6 -58.6 142.6 57.0 28.6 -39.1 199 202 A L S S+ 0 0 25 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.950 90.5 13.4 -70.7 -48.7 57.2 25.0 -40.1 200 203 A F + 0 0 3 -36,-0.3 2,-1.9 2,-0.1 -1,-0.2 -0.703 68.9 178.7-131.4 77.7 60.4 24.0 -38.3 201 204 A P + 0 0 36 0, 0.0 2,-0.1 0, 0.0 7,-0.1 -0.389 16.2 177.8 -82.5 67.7 61.3 26.8 -35.8 202 205 A G - 0 0 3 -2,-1.9 -39,-0.4 1,-0.1 -38,-0.2 -0.350 24.7-161.3 -69.3 146.7 64.5 25.1 -34.4 203 206 A D S S+ 0 0 134 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.359 77.8 22.8-109.7 5.5 66.5 27.0 -31.7 204 207 A S S > S- 0 0 46 1,-0.1 4,-2.7 -41,-0.0 5,-0.2 -0.950 89.7-100.6-157.4 163.5 69.7 25.0 -32.2 205 208 A E H > S+ 0 0 132 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.927 124.0 42.8 -60.3 -41.5 71.1 22.9 -35.0 206 209 A I H > S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.866 112.8 51.5 -74.0 -34.4 70.0 19.7 -33.3 207 210 A D H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 110.5 51.8 -66.2 -36.8 66.6 21.0 -32.4 208 211 A Q H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.968 111.7 45.3 -62.7 -50.4 66.2 22.1 -36.0 209 212 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.927 114.4 47.9 -59.7 -44.6 67.1 18.6 -37.2 210 213 A F H X S+ 0 0 36 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.839 106.9 56.0 -70.4 -28.8 64.9 16.9 -34.7 211 214 A R H X S+ 0 0 94 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.915 110.3 46.9 -65.1 -42.1 61.9 19.2 -35.5 212 215 A I H >X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 3,-0.8 0.962 113.5 48.1 -61.6 -48.3 62.3 18.1 -39.1 213 216 A F H 3X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.882 106.5 56.7 -60.9 -38.8 62.5 14.4 -38.1 214 217 A R H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.794 118.2 33.1 -65.0 -25.4 59.5 14.6 -35.8 215 218 A T H << S+ 0 0 32 -4,-1.1 28,-2.7 -3,-0.8 -2,-0.2 0.865 130.4 29.4 -96.6 -46.0 57.4 15.8 -38.7 216 219 A L H < S- 0 0 6 -4,-3.2 26,-0.3 26,-0.2 -3,-0.2 0.487 114.6-103.9 -96.1 -1.2 58.8 14.1 -41.8 217 220 A G < - 0 0 6 -4,-1.9 24,-0.2 24,-0.4 -1,-0.2 0.200 44.8 -68.8 90.9 145.1 60.0 11.0 -40.0 218 221 A T - 0 0 16 22,-2.4 24,-0.1 -4,-0.1 21,-0.0 -0.529 63.7-117.3 -66.8 126.2 63.7 10.2 -39.1 219 222 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.272 38.2 178.1 -66.7 153.1 65.3 9.6 -42.5 220 223 A D > - 0 0 74 -3,-0.0 4,-2.7 7,-0.0 7,-0.2 -0.840 47.4 -84.2-141.1 179.5 66.8 6.2 -43.3 221 224 A E T 4 S+ 0 0 80 -2,-0.3 6,-0.0 1,-0.2 0, 0.0 0.727 120.3 62.1 -63.0 -21.9 68.5 4.4 -46.2 222 225 A V T 4 S+ 0 0 121 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.984 118.0 23.8 -69.2 -54.6 65.2 3.6 -47.8 223 226 A V T 4 S+ 0 0 71 1,-0.2 44,-0.5 -3,-0.1 -2,-0.2 0.765 137.5 31.1 -84.6 -22.7 64.0 7.2 -48.4 224 227 A W S >< S- 0 0 4 -4,-2.7 3,-2.5 42,-0.1 4,-0.3 -0.663 78.1-152.8-138.3 83.3 67.5 8.8 -48.4 225 228 A P T 3 S+ 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.286 85.1 18.3 -54.8 128.2 70.3 6.5 -49.8 226 229 A G T > S+ 0 0 33 41,-0.0 3,-1.8 4,-0.0 4,-0.2 0.252 86.6 119.0 93.7 -12.7 73.6 7.5 -48.2 227 230 A V G X + 0 0 0 -3,-2.5 3,-1.6 1,-0.3 6,-0.1 0.846 69.1 59.1 -57.3 -36.2 72.1 9.4 -45.3 228 231 A T G 3 S+ 0 0 61 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.549 103.5 54.2 -73.0 -3.4 73.6 7.1 -42.6 229 232 A S G < S+ 0 0 104 -3,-1.8 -1,-0.3 5,-0.1 -2,-0.2 0.311 80.1 122.5-107.8 5.7 77.1 8.0 -43.9 230 233 A M S X S- 0 0 36 -3,-1.6 3,-1.7 -4,-0.2 -57,-0.1 -0.392 75.6-107.4 -71.1 149.3 76.7 11.8 -43.7 231 234 A P T 3 S+ 0 0 62 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.822 114.1 28.3 -41.0 -51.5 79.3 13.7 -41.6 232 235 A D T 3 S+ 0 0 82 -60,-3.0 2,-0.2 2,-0.1 -59,-0.2 0.292 88.1 123.3-102.5 12.9 77.0 14.5 -38.6 233 236 A Y < - 0 0 28 -3,-1.7 -5,-0.0 -61,-0.4 3,-0.0 -0.503 42.3-164.7 -71.0 139.4 74.6 11.6 -38.8 234 237 A K > - 0 0 110 -2,-0.2 3,-2.3 1,-0.1 -2,-0.1 -0.995 24.7-141.7-129.3 129.5 74.5 9.6 -35.6 235 238 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.756 101.5 69.5 -58.3 -20.0 73.0 6.1 -35.3 236 239 A S T 3 + 0 0 103 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.443 67.6 123.2 -79.6 0.6 71.7 7.3 -31.9 237 240 A F S < S- 0 0 13 -3,-2.3 -19,-0.0 1,-0.1 -4,-0.0 -0.381 73.7-106.3 -60.7 138.1 69.2 9.7 -33.5 238 241 A P - 0 0 59 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.314 29.6-123.8 -62.9 154.4 65.7 8.9 -32.2 239 242 A K - 0 0 121 -3,-0.1 2,-0.3 -22,-0.0 -25,-0.0 -0.853 33.2-177.1-107.4 100.7 63.5 7.2 -34.8 240 243 A W - 0 0 75 -2,-0.8 -22,-2.4 -21,-0.0 2,-0.2 -0.725 24.9-120.8 -97.1 145.1 60.3 9.2 -35.3 241 244 A A - 0 0 76 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.538 35.3-102.7 -80.9 150.6 57.5 8.1 -37.6 242 245 A R - 0 0 120 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.473 33.4-137.8 -73.6 145.0 56.5 10.4 -40.4 243 246 A Q - 0 0 71 -28,-2.7 2,-0.3 -2,-0.1 -1,-0.1 -0.518 26.2 -95.8 -96.0 167.7 53.3 12.5 -40.0 244 247 A D >> - 0 0 100 -2,-0.2 3,-2.1 1,-0.1 4,-1.1 -0.681 20.7-134.4 -87.2 137.1 50.6 13.1 -42.7 245 248 A F H 3> S+ 0 0 19 -2,-0.3 4,-2.4 1,-0.3 3,-0.1 0.814 104.8 70.3 -56.9 -29.6 50.9 16.4 -44.7 246 249 A S H 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.806 104.9 40.6 -58.9 -26.3 47.2 16.8 -44.1 247 250 A K H <4 S+ 0 0 140 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.712 112.9 57.0 -92.8 -20.4 48.1 17.5 -40.5 248 251 A V H < S+ 0 0 27 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.900 121.9 14.6 -79.4 -44.7 51.2 19.6 -41.4 249 252 A V S >< S- 0 0 0 -4,-2.4 3,-2.5 3,-0.1 -1,-0.2 -0.225 91.6-159.2-126.9 48.9 49.7 22.3 -43.6 250 253 A P T 3 + 0 0 68 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.385 67.7 20.8 -67.0 149.6 46.0 22.2 -43.1 251 254 A P T 3 S+ 0 0 125 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 -0.730 87.3 125.2-100.7 37.6 43.8 23.3 -44.9 252 255 A L < - 0 0 8 -3,-2.5 -3,-0.1 1,-0.1 5,-0.0 -0.289 62.0-115.6 -57.2 138.6 46.0 23.3 -48.0 253 256 A D > - 0 0 61 1,-0.1 4,-2.8 -3,-0.1 3,-0.3 -0.185 29.0 -96.9 -72.8 167.5 44.4 21.4 -50.9 254 257 A E H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.752 122.8 56.5 -60.0 -27.8 46.0 18.2 -52.4 255 258 A D H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.944 112.6 42.8 -66.7 -45.3 47.6 20.1 -55.3 256 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.930 114.9 48.6 -64.0 -47.4 49.4 22.3 -52.7 257 260 A R H X S+ 0 0 64 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.897 110.4 52.7 -60.9 -39.5 50.3 19.3 -50.4 258 261 A S H X S+ 0 0 37 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.947 111.6 44.4 -61.9 -48.1 51.6 17.4 -53.3 259 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.946 114.0 50.3 -62.8 -44.7 53.9 20.2 -54.5 260 263 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 3,-0.3 0.917 107.2 54.4 -60.0 -43.2 55.1 20.8 -50.9 261 264 A S H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.882 109.0 48.5 -59.6 -36.1 55.8 17.1 -50.4 262 265 A Q H >< S+ 0 0 67 -4,-1.8 10,-2.2 1,-0.2 3,-0.6 0.795 109.8 51.6 -74.8 -25.2 58.0 17.1 -53.4 263 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.3 -1,-0.2 0.706 112.4 48.1 -80.9 -19.4 59.8 20.3 -52.2 264 267 A L T 3< S+ 0 0 2 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.116 74.7 137.9-108.4 20.3 60.5 18.6 -48.9 265 268 A H < - 0 0 66 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.425 53.8-135.2 -62.7 140.1 61.8 15.3 -50.0 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.943 87.7 74.1 -62.9 -49.5 64.8 14.3 -47.8 267 270 A D S >> S- 0 0 16 -44,-0.5 3,-1.9 1,-0.2 4,-1.7 -0.556 75.7-147.6 -70.2 116.3 67.0 13.1 -50.7 268 271 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.821 98.4 57.9 -53.8 -29.8 68.3 16.3 -52.5 269 272 A N T 34 S+ 0 0 149 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.699 108.6 42.4 -75.7 -19.4 68.3 14.2 -55.7 270 273 A K T <4 S+ 0 0 100 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.676 90.2 109.1 -96.0 -20.3 64.6 13.3 -55.4 271 274 A R S < S- 0 0 13 -4,-1.7 -8,-0.2 -6,-0.2 -9,-0.1 -0.253 81.5-102.4 -59.0 137.4 63.7 16.9 -54.4 272 275 A I - 0 0 21 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.270 31.9-123.8 -64.2 145.0 61.8 18.7 -57.1 273 276 A S > - 0 0 61 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.466 21.0-115.5 -82.0 163.5 63.6 21.2 -59.3 274 277 A A H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -161,-0.1 0.927 118.0 52.2 -63.7 -41.2 62.4 24.9 -59.6 275 278 A K H > S+ 0 0 171 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.912 112.4 43.6 -59.4 -46.7 61.8 24.2 -63.3 276 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.878 109.3 57.1 -68.2 -37.7 59.7 21.1 -62.6 277 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.844 97.3 63.1 -63.0 -33.2 57.8 22.7 -59.8 278 281 A L H 3< S+ 0 0 42 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.793 102.8 51.0 -61.7 -26.1 56.7 25.5 -62.2 279 282 A A T << S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.469 82.6 122.7 -89.5 -4.7 54.9 22.8 -64.2 280 283 A H S X S- 0 0 18 -3,-1.5 3,-2.3 -4,-0.3 4,-0.1 -0.283 74.6-118.3 -61.5 141.1 53.1 21.3 -61.1 281 284 A P G > S+ 0 0 81 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.701 106.6 79.9 -53.7 -19.4 49.2 21.2 -61.4 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.844 93.2 49.9 -57.2 -29.7 49.1 23.5 -58.3 283 286 A F G X S+ 0 0 11 -3,-2.3 3,-1.6 -6,-0.2 -1,-0.3 0.330 75.2 105.9 -94.2 9.8 49.9 26.4 -60.7 284 287 A Q T < S+ 0 0 165 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.878 92.8 32.0 -56.4 -37.6 47.2 25.6 -63.3 285 288 A D T 3 S+ 0 0 90 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.071 86.9 147.9-109.8 26.7 45.1 28.6 -62.1 286 289 A V < + 0 0 41 -3,-1.6 2,-0.2 -184,-0.1 -186,-0.1 -0.268 16.5 168.8 -64.3 145.9 47.9 30.9 -61.0 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.775 38.4-109.2-142.2-178.1 47.2 34.7 -61.3 288 291 A K - 0 0 129 -2,-0.2 -188,-0.1 -185,-0.1 -151,-0.1 -0.734 37.6-175.6-126.5 83.5 49.0 37.8 -60.2 289 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.236 27.2-117.1 -71.8 164.1 46.9 39.6 -57.4 290 293 A V - 0 0 112 -154,-0.0 2,-0.1 3,-0.0 -155,-0.1 -0.898 29.2-135.3-103.1 129.8 47.8 42.9 -55.9 291 294 A P - 0 0 14 0, 0.0 2,-1.0 0, 0.0 -155,-0.1 -0.456 17.5-114.0 -81.8 161.2 48.6 42.8 -52.2 292 295 A H - 0 0 161 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.849 43.3-178.2 -94.5 102.7 47.3 45.3 -49.7 293 296 A L - 0 0 26 -2,-1.0 2,-0.7 -159,-0.1 -159,-0.0 -0.924 18.5-162.0-109.4 131.2 50.5 47.0 -48.6 294 297 A R 0 0 186 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.947 360.0 360.0-109.1 109.8 50.5 49.7 -46.0 295 298 A L 0 0 115 -2,-0.7 -1,-0.2 -213,-0.0 0, 0.0 0.753 360.0 360.0-103.2 360.0 53.8 51.6 -46.3