==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-MAR-11 3R8V . 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) . 14893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 62.6 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 . 38 12.9 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 81 0, 0.0 3,-0.3 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 158.2 -79.0 -94.5 -84.1 2 2 A E + 0 0 160 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.869 360.0 21.2 -53.0 -43.5 -81.0 -95.7 -87.0 3 3 A N S S+ 0 0 84 21,-0.1 21,-2.2 20,-0.0 22,-0.4 0.437 126.0 38.7-110.7 1.3 -78.7 -94.2 -89.6 4 4 A F E -A 23 0A 15 -3,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.797 61.9-135.1-139.1 178.7 -75.4 -93.8 -87.7 5 5 A Q E -A 22 0A 83 17,-0.9 17,-2.7 -2,-0.2 2,-0.2 -0.980 30.0-128.3-139.3 121.1 -73.2 -95.4 -85.1 6 6 A K E -A 21 0A 128 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.546 23.8-179.1 -74.3 140.1 -71.8 -93.1 -82.4 7 7 A V E - 0 0 60 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.673 65.1 -48.4-104.8 -34.0 -68.1 -93.2 -81.9 8 8 A E E -A 20 0A 113 12,-1.4 12,-2.6 0, 0.0 2,-0.5 -0.916 57.7 -83.1 171.7 163.6 -68.0 -90.7 -79.1 9 9 A K E -A 19 0A 110 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.749 34.1-170.4 -83.9 128.1 -69.2 -87.3 -77.9 10 10 A I E - 0 0 78 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.880 51.9 -72.3 -86.0 -43.6 -66.9 -84.6 -79.3 11 11 A G E -A 18 0A 26 7,-1.6 7,-2.6 5,-0.0 2,-0.5 -0.985 52.3 -60.5 175.6-167.6 -68.2 -81.7 -77.3 12 12 A E E -A 17 0A 58 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.929 47.5-163.2-108.9 122.5 -70.9 -79.2 -76.6 13 13 A G - 0 0 21 3,-2.6 3,-0.4 -2,-0.5 116,-0.0 -0.447 35.8 -98.1 -98.9 176.3 -71.8 -76.8 -79.4 14 14 A T S S+ 0 0 29 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.920 124.4 28.6 -55.4 -47.7 -73.7 -73.5 -79.5 15 15 A Y S S- 0 0 29 1,-0.2 21,-3.5 140,-0.1 2,-0.3 0.328 130.8 -48.5-100.3 5.3 -76.8 -75.2 -80.6 16 16 A G S S- 0 0 3 -3,-0.4 -3,-2.6 19,-0.2 -1,-0.2 -0.909 78.9 -33.4 152.3 179.8 -76.4 -78.7 -79.1 17 17 A V E -A 12 0A 13 -2,-0.3 17,-2.4 -5,-0.2 2,-0.4 -0.400 48.9-149.0 -70.2 144.7 -74.2 -81.8 -78.5 18 18 A V E -AB 11 33A 16 -7,-2.6 -8,-2.5 15,-0.2 -7,-1.6 -0.958 14.3-169.5-118.1 132.6 -71.8 -82.8 -81.3 19 19 A Y E -AB 9 32A 47 13,-3.1 13,-3.7 -2,-0.4 2,-0.7 -0.913 28.1-127.5-123.6 151.6 -70.8 -86.4 -81.9 20 20 A K E +AB 8 31A 55 -12,-2.6 -13,-2.9 -2,-0.3 -12,-1.4 -0.863 48.6 178.3 -90.7 120.5 -68.2 -88.2 -84.0 21 21 A A E -AB 6 30A 0 9,-2.5 9,-2.7 -2,-0.7 2,-0.5 -0.894 30.4-134.8-130.2 159.3 -70.4 -90.6 -85.9 22 22 A R E -AB 5 29A 94 -17,-2.7 -17,-0.9 -2,-0.3 2,-0.3 -0.964 28.4-120.8-116.7 122.1 -70.1 -93.3 -88.5 23 23 A N E > -A 4 0A 29 5,-3.0 4,-2.7 -2,-0.5 -19,-0.2 -0.440 18.5-143.3 -63.3 123.4 -72.6 -93.4 -91.4 24 24 A K T 4 S+ 0 0 134 -21,-2.2 -1,-0.1 -2,-0.3 -20,-0.1 0.886 95.9 34.6 -56.4 -45.1 -74.3 -96.8 -91.2 25 25 A L T 4 S+ 0 0 148 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.825 130.1 29.7 -85.2 -28.6 -74.6 -97.2 -95.0 26 26 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.706 88.4-133.7-101.7 -24.5 -71.3 -95.6 -96.2 27 27 A G < + 0 0 40 -4,-2.7 -3,-0.1 1,-0.3 2,-0.1 0.420 54.6 146.1 85.0 -3.4 -68.9 -96.1 -93.3 28 28 A E - 0 0 87 -6,-0.1 -5,-3.0 -5,-0.1 2,-0.5 -0.376 48.0-127.9 -71.7 144.8 -67.8 -92.5 -93.4 29 29 A V E +B 22 0A 49 -7,-0.2 50,-0.7 -3,-0.1 2,-0.3 -0.811 38.5 166.2 -93.9 131.3 -66.9 -90.6 -90.2 30 30 A V E -BC 21 78A 2 -9,-2.7 -9,-2.5 -2,-0.5 2,-0.7 -0.839 43.1-107.0-138.4 171.8 -68.6 -87.3 -89.7 31 31 A A E -BC 20 77A 11 46,-2.7 46,-2.9 -2,-0.3 2,-0.6 -0.931 37.7-162.2-103.5 113.1 -69.4 -84.6 -87.1 32 32 A L E -BC 19 76A 0 -13,-3.7 -13,-3.1 -2,-0.7 2,-0.6 -0.876 3.0-164.2-103.0 121.2 -73.0 -85.0 -86.2 33 33 A K E -BC 18 75A 30 42,-3.1 42,-2.6 -2,-0.6 2,-0.5 -0.916 7.4-152.7-112.6 118.3 -74.7 -82.1 -84.5 34 34 A K E - C 0 74A 43 -17,-2.4 2,-0.6 -2,-0.6 40,-0.2 -0.754 18.4-136.2 -85.9 123.9 -78.0 -82.5 -82.7 35 35 A I E C 0 73A 19 38,-3.2 38,-0.5 -2,-0.5 -19,-0.2 -0.735 360.0 360.0 -87.3 120.9 -79.9 -79.2 -82.6 36 36 A R 0 0 117 -21,-3.5 -1,-0.1 -2,-0.6 -20,-0.0 -0.378 360.0 360.0 -55.6 360.0 -81.5 -78.4 -79.2 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 0 159 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.2 -88.3 -76.7 -77.7 39 42 A E - 0 0 178 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.420 360.0 -64.3-140.2 -62.5 -91.2 -75.6 -80.0 40 43 A G S S- 0 0 55 0, 0.0 32,-0.1 0, 0.0 31,-0.0 0.297 74.1 -80.8 167.9 33.8 -91.4 -77.7 -83.1 41 44 A V - 0 0 33 30,-0.1 5,-0.1 1,-0.1 31,-0.0 0.963 56.8-109.7 50.8 87.9 -88.3 -77.3 -85.3 42 45 A P > - 0 0 65 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 -0.108 19.0-146.8 -45.2 135.1 -88.9 -74.0 -87.2 43 46 A S H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.755 96.0 60.7 -78.9 -25.9 -89.5 -74.6 -90.9 44 47 A T H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 103.9 51.3 -66.2 -40.9 -87.8 -71.4 -91.9 45 48 A A H > S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.899 106.3 53.3 -62.8 -42.7 -84.6 -72.6 -90.4 46 49 A I H X S+ 0 0 34 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.935 112.6 43.2 -60.5 -46.1 -84.7 -76.0 -92.2 47 50 A R H X S+ 0 0 162 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.932 117.1 46.9 -65.3 -45.6 -85.0 -74.4 -95.6 48 51 A E H X S+ 0 0 66 -4,-2.5 4,-0.7 1,-0.2 3,-0.4 0.932 114.3 45.5 -63.8 -47.0 -82.4 -71.7 -94.8 49 52 A I H >< S+ 0 0 1 -4,-3.2 3,-1.3 1,-0.2 4,-0.5 0.892 106.2 60.7 -63.8 -40.5 -79.8 -74.1 -93.4 50 53 A S H >< S+ 0 0 35 -4,-2.2 3,-1.6 -5,-0.3 4,-0.2 0.857 96.0 62.0 -57.5 -31.8 -80.4 -76.6 -96.3 51 54 A L H >< S+ 0 0 121 -4,-1.2 3,-1.8 -3,-0.4 -1,-0.3 0.841 92.4 65.7 -62.0 -31.2 -79.2 -73.8 -98.6 52 55 A L G X< S+ 0 0 20 -3,-1.3 3,-1.6 -4,-0.7 11,-0.4 0.699 81.4 76.5 -64.6 -18.7 -75.8 -73.9 -96.8 53 56 A K G < S+ 0 0 66 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.700 88.5 62.0 -64.0 -17.8 -75.3 -77.4 -98.2 54 57 A E G < S+ 0 0 129 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.3 0.606 77.9 104.7 -84.0 -13.5 -74.5 -75.7 -101.4 55 58 A L < + 0 0 23 -3,-1.6 2,-0.4 -4,-0.2 8,-0.3 -0.514 46.0 174.2 -69.9 128.0 -71.5 -73.8 -100.0 56 59 A N + 0 0 127 -2,-0.3 5,-0.1 6,-0.1 -3,-0.0 -0.932 13.9 135.2-141.7 117.5 -68.2 -75.3 -101.2 57 60 A H > - 0 0 32 3,-0.4 3,-1.9 -2,-0.4 5,-0.1 -0.966 58.0-118.5-158.2 143.1 -64.8 -73.9 -100.5 58 61 A P T 3 S+ 0 0 87 0, 0.0 80,-0.1 0, 0.0 53,-0.1 0.666 114.8 48.7 -59.9 -15.0 -61.5 -75.4 -99.3 59 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.4 51,-0.1 2,-0.4 0.199 97.3 78.8-112.2 19.5 -61.7 -73.2 -96.2 60 63 A I B < S-e 140 0B 10 -3,-1.9 -3,-0.4 79,-0.3 2,-0.4 -0.991 83.6-119.6-126.7 128.4 -65.2 -74.0 -95.1 61 64 A V - 0 0 6 79,-2.5 81,-0.3 -2,-0.4 82,-0.1 -0.525 41.2-116.2 -65.8 120.7 -66.2 -77.2 -93.3 62 65 A K - 0 0 87 -2,-0.4 16,-2.1 1,-0.1 2,-0.9 -0.375 12.3-140.2 -67.6 134.7 -68.7 -78.8 -95.6 63 66 A L E -D 77 0A 9 -11,-0.4 14,-0.3 -8,-0.3 3,-0.1 -0.841 21.8-175.3 -89.8 109.4 -72.3 -79.3 -94.4 64 67 A L E - 0 0 44 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.841 57.2 -13.6 -77.7 -36.8 -73.0 -82.7 -95.8 65 68 A D E -D 76 0A 69 11,-1.6 11,-3.0 -3,-0.1 2,-0.5 -0.995 44.3-138.0-163.6 162.1 -76.7 -82.9 -94.8 66 69 A V E -D 75 0A 18 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.999 30.0-163.3-124.3 121.6 -79.5 -81.6 -92.8 67 70 A I E -D 74 0A 32 7,-2.7 7,-2.6 -2,-0.5 2,-0.6 -0.957 13.9-179.1-117.7 121.0 -81.6 -84.4 -91.3 68 71 A H E +D 73 0A 87 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.908 26.9 141.5-121.0 98.2 -85.0 -83.9 -89.9 69 72 A T E > +D 72 0A 56 3,-1.4 3,-2.5 -2,-0.6 -2,-0.1 -0.972 62.2 9.3-138.5 151.8 -86.4 -87.2 -88.6 70 73 A E T 3 S- 0 0 167 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.834 127.4 -66.9 46.7 37.1 -88.5 -88.3 -85.6 71 74 A N T 3 S+ 0 0 129 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.762 112.6 115.4 55.5 30.7 -89.1 -84.5 -85.1 72 75 A K E < - D 0 69A 79 -3,-2.5 -3,-1.4 -32,-0.1 2,-0.4 -0.892 57.4-138.0-122.4 154.2 -85.4 -84.0 -84.2 73 76 A L E +CD 35 68A 8 -38,-0.5 -38,-3.2 -2,-0.3 2,-0.4 -0.961 21.3 176.5-120.6 131.1 -82.9 -81.9 -86.2 74 77 A Y E -CD 34 67A 35 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.5 -0.966 18.9-149.6-131.6 148.1 -79.3 -82.8 -87.0 75 78 A L E -CD 33 66A 0 -42,-2.6 -42,-3.1 -2,-0.4 2,-0.6 -0.961 13.2-151.4-114.8 132.1 -76.6 -81.2 -89.0 76 79 A V E -CD 32 65A 8 -11,-3.0 -12,-2.4 -2,-0.5 -11,-1.6 -0.928 19.5-179.4-108.2 120.2 -74.0 -83.5 -90.6 77 80 A F E -CD 31 63A 9 -46,-2.9 -46,-2.7 -2,-0.6 -14,-0.2 -0.812 36.1 -97.5-116.7 154.2 -70.6 -82.0 -91.2 78 81 A E E -C 30 0A 50 -16,-2.1 2,-0.5 -2,-0.3 -48,-0.2 -0.436 48.3-116.3 -66.0 144.8 -67.3 -83.3 -92.6 79 82 A F - 0 0 61 -50,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.750 30.9-163.8 -91.8 126.1 -65.1 -84.5 -89.8 80 83 A L - 0 0 15 -2,-0.5 53,-0.1 1,-0.1 3,-0.1 -0.756 24.2-117.5-107.3 160.9 -61.8 -82.6 -89.3 81 84 A H S S- 0 0 75 51,-0.5 2,-0.3 -2,-0.3 52,-0.2 0.822 80.5 -12.7 -64.4 -44.3 -58.8 -83.7 -87.3 82 85 A Q E -F 132 0B 30 50,-1.5 50,-2.8 211,-0.0 2,-0.2 -0.980 62.8-117.2-157.7 157.3 -58.4 -81.1 -84.5 83 86 A D E > -F 131 0B 25 -2,-0.3 4,-2.2 48,-0.2 48,-0.2 -0.643 29.0-114.8 -99.5 164.2 -59.7 -77.7 -83.5 84 87 A L H > S+ 0 0 0 46,-2.6 4,-2.6 43,-1.1 5,-0.2 0.784 112.6 60.7 -67.7 -26.6 -57.6 -74.5 -83.2 85 88 A K H > S+ 0 0 67 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.969 109.8 40.8 -63.3 -52.1 -58.3 -74.2 -79.5 86 89 A K H > S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.907 114.6 52.6 -63.3 -40.1 -56.7 -77.6 -78.8 87 90 A F H X S+ 0 0 5 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.920 110.1 48.0 -62.9 -43.1 -53.9 -76.9 -81.3 88 91 A M H < S+ 0 0 20 -4,-2.6 4,-0.2 2,-0.2 -1,-0.2 0.906 112.2 49.1 -63.7 -41.2 -53.1 -73.6 -79.6 89 92 A D H >< S+ 0 0 94 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.934 112.1 49.2 -61.2 -46.0 -53.1 -75.2 -76.2 90 93 A A H 3< S+ 0 0 79 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.719 113.5 46.5 -65.8 -22.9 -50.8 -78.0 -77.6 91 94 A S T 3X S+ 0 0 16 -4,-1.4 4,-3.8 -3,-0.2 3,-0.3 0.293 80.3 109.1-102.0 7.8 -48.5 -75.3 -79.1 92 95 A A T <4 S+ 0 0 52 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 0.819 73.5 52.9 -54.1 -40.5 -48.4 -73.2 -75.9 93 96 A L T 4 S+ 0 0 174 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.895 129.1 15.5 -66.3 -42.9 -44.8 -74.0 -74.9 94 97 A T T 4 S- 0 0 114 -3,-0.3 -2,-0.2 1,-0.0 -1,-0.2 0.651 103.9-129.7-106.4 -20.0 -43.2 -73.1 -78.2 95 98 A G < - 0 0 6 -4,-3.8 -3,-0.1 -7,-0.2 99,-0.1 0.153 36.7 -67.1 82.9 152.6 -46.0 -71.1 -79.9 96 99 A I - 0 0 11 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.601 64.1-104.1 -73.5 131.4 -47.3 -71.7 -83.4 97 100 A P >> - 0 0 77 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.292 25.9-119.3 -59.5 143.9 -44.6 -70.8 -85.9 98 101 A L H 3> S+ 0 0 75 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.885 111.9 55.0 -49.8 -49.0 -45.2 -67.4 -87.6 99 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.862 111.2 46.4 -57.2 -32.2 -45.3 -68.9 -91.1 100 103 A L H <> S+ 0 0 4 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.869 111.1 50.8 -76.9 -36.7 -48.1 -71.3 -90.0 101 104 A I H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.941 112.1 48.8 -62.4 -45.2 -50.0 -68.4 -88.2 102 105 A K H X S+ 0 0 14 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.898 111.5 48.9 -61.9 -41.5 -49.7 -66.4 -91.4 103 106 A S H X S+ 0 0 3 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.912 112.4 47.4 -65.1 -45.0 -51.0 -69.4 -93.5 104 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.943 113.0 48.6 -63.3 -46.3 -54.0 -70.0 -91.2 105 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.932 111.7 50.5 -58.5 -45.3 -54.9 -66.4 -91.1 106 109 A F H X S+ 0 0 53 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.938 113.2 44.7 -57.7 -48.6 -54.7 -66.2 -94.9 107 110 A Q H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.880 110.8 53.6 -64.7 -40.5 -56.9 -69.3 -95.4 108 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.900 107.7 51.2 -62.7 -38.9 -59.4 -68.1 -92.8 109 112 A L H X S+ 0 0 0 -4,-2.2 4,-3.6 2,-0.2 -1,-0.2 0.879 107.9 53.4 -65.0 -36.6 -59.8 -64.7 -94.7 110 113 A Q H X S+ 0 0 59 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.907 109.3 48.1 -64.7 -40.6 -60.4 -66.7 -97.9 111 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 114.6 45.9 -65.5 -42.8 -63.1 -68.6 -96.1 112 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.950 110.9 51.9 -63.8 -48.6 -64.6 -65.4 -94.9 113 116 A A H X S+ 0 0 23 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.908 112.0 48.1 -55.0 -42.8 -64.3 -63.6 -98.2 114 117 A F H X S+ 0 0 37 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.967 115.1 42.6 -62.1 -54.7 -66.1 -66.6 -99.9 115 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.5 0.910 115.5 49.0 -59.6 -44.7 -69.0 -66.7 -97.4 116 119 A H H ><5S+ 0 0 15 -4,-3.3 3,-1.8 1,-0.3 -1,-0.2 0.868 107.2 54.9 -65.4 -36.4 -69.4 -62.9 -97.3 117 120 A S H 3<5S+ 0 0 73 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.755 108.8 50.8 -67.7 -21.5 -69.4 -62.7 -101.1 118 121 A H T <<5S- 0 0 96 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.138 122.0-108.5 -99.6 18.5 -72.3 -65.3 -100.8 119 122 A R T < 5S+ 0 0 202 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.835 78.4 128.6 60.0 36.4 -74.2 -63.2 -98.3 120 123 A V < - 0 0 19 -5,-2.5 2,-0.3 -8,-0.2 -2,-0.2 -0.989 36.0-171.8-124.8 128.4 -73.5 -65.5 -95.4 121 124 A L - 0 0 34 -2,-0.4 23,-2.2 1,-0.2 26,-0.3 -0.745 17.5-153.2-111.5 161.5 -72.1 -64.4 -92.1 122 125 A H - 0 0 7 -2,-0.3 24,-0.5 21,-0.3 25,-0.2 0.863 14.0-174.6 -95.6 -59.6 -70.9 -66.5 -89.2 123 126 A R S S+ 0 0 54 56,-0.1 44,-0.1 23,-0.1 20,-0.1 0.217 73.1 55.2 84.5 -14.2 -71.4 -64.2 -86.2 124 127 A D + 0 0 16 18,-0.1 2,-0.1 42,-0.1 5,-0.1 -0.126 65.7 163.0-143.2 45.1 -69.8 -66.5 -83.7 125 128 A L + 0 0 0 40,-0.2 40,-0.1 56,-0.1 17,-0.1 -0.424 13.3 150.4 -65.6 136.5 -66.3 -67.3 -84.9 126 129 A K > - 0 0 21 -2,-0.1 3,-1.9 1,-0.0 4,-0.2 -0.971 61.4 -93.1-160.7 160.2 -64.0 -68.8 -82.2 127 130 A P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -43,-1.1 0.826 119.1 64.3 -47.6 -36.0 -61.1 -71.2 -81.9 128 131 A Q G 3 S+ 0 0 83 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.767 104.6 42.9 -63.6 -28.3 -63.5 -74.0 -81.3 129 132 A N G < S+ 0 0 10 -3,-1.9 12,-2.8 -5,-0.1 2,-0.6 0.172 92.5 91.1-106.0 20.7 -65.1 -73.8 -84.7 130 133 A L E < - G 0 140B 0 -3,-1.4 -46,-2.6 10,-0.2 2,-0.4 -0.977 64.4-167.0-109.8 119.5 -61.9 -73.4 -86.6 131 134 A L E -FG 83 139B 32 8,-2.9 8,-2.7 -2,-0.6 2,-0.2 -0.915 6.6-162.5-116.9 139.2 -60.8 -76.9 -87.6 132 135 A I E -FG 82 138B 0 -50,-2.8 -50,-1.5 -2,-0.4 -51,-0.5 -0.730 1.9-154.8-116.3 163.5 -57.4 -78.0 -89.0 133 136 A N > - 0 0 16 4,-1.6 3,-1.4 -2,-0.2 -53,-0.1 -0.809 36.8 -98.7-129.1 173.6 -56.1 -81.1 -90.8 134 137 A T T 3 S+ 0 0 64 -2,-0.3 159,-0.1 1,-0.2 -2,-0.0 0.672 115.0 63.9 -66.4 -16.5 -52.7 -82.8 -91.2 135 138 A E T 3 S- 0 0 148 155,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.410 118.5-100.0 -91.0 2.5 -52.1 -81.2 -94.5 136 139 A G S < S+ 0 0 0 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.498 78.4 130.4 96.4 2.5 -52.0 -77.6 -93.3 137 140 A A - 0 0 9 151,-0.1 -4,-1.6 -30,-0.0 2,-0.4 -0.557 38.2-160.4 -88.2 157.3 -55.5 -76.5 -94.2 138 141 A I E - G 0 132B 0 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.990 9.6-168.5-133.7 141.5 -57.8 -74.7 -91.7 139 142 A K E - G 0 131B 31 -8,-2.7 -8,-2.9 -2,-0.4 2,-0.5 -0.976 19.0-127.9-136.0 149.2 -61.6 -74.5 -92.2 140 143 A L E -eG 60 130B 1 -81,-2.4 -79,-2.5 -2,-0.3 2,-0.3 -0.806 24.4-159.5 -97.6 131.2 -64.4 -72.5 -90.6 141 144 A A + 0 0 2 -12,-2.8 -79,-0.1 -2,-0.5 -12,-0.1 -0.795 63.4 25.9-108.0 152.2 -67.4 -74.5 -89.3 142 145 A D > + 0 0 26 -2,-0.3 3,-1.6 -81,-0.3 4,-0.4 0.588 66.6 165.7 77.1 17.8 -71.0 -73.2 -88.7 143 146 A F T 3 + 0 0 10 -3,-0.3 -21,-0.3 1,-0.2 -1,-0.2 -0.369 69.9 15.6 -60.6 141.2 -71.2 -70.2 -91.0 144 147 A G T 3> S+ 0 0 8 -23,-2.2 4,-1.4 1,-0.1 -1,-0.2 0.314 93.0 106.2 79.6 -8.8 -74.8 -69.1 -91.4 145 148 A L H <> S+ 0 0 6 -3,-1.6 4,-3.1 2,-0.2 -2,-0.1 0.893 73.6 56.8 -72.5 -38.0 -76.3 -71.0 -88.4 146 149 A A H 4 S+ 0 0 13 -24,-0.5 5,-0.4 -4,-0.4 -1,-0.2 0.931 108.4 46.4 -59.1 -46.9 -76.8 -67.9 -86.2 147 150 A R H 4 S+ 0 0 165 -26,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 116.0 46.1 -62.5 -42.4 -78.9 -66.1 -88.7 148 151 A A H < S+ 0 0 13 -4,-1.4 -2,-0.2 -103,-0.1 -1,-0.2 0.897 119.6 38.8 -67.1 -43.1 -81.0 -69.2 -89.4 149 152 A F S < S- 0 0 31 -4,-3.1 2,-0.3 -5,-0.1 -134,-0.0 -0.315 86.6-116.3 -96.0-176.9 -81.5 -70.1 -85.7 150 153 A G - 0 0 68 -2,-0.1 -3,-0.1 0, 0.0 -4,-0.1 -0.593 34.7-131.5-123.6 68.8 -82.1 -67.8 -82.7 151 154 A V - 0 0 66 -5,-0.4 2,-0.1 -2,-0.3 -136,-0.1 0.188 23.8-130.2 -22.4 103.5 -78.9 -68.4 -80.6 152 155 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.395 20.4-110.2 -66.7 140.5 -80.3 -69.0 -77.1 153 156 A V S S+ 0 0 137 -2,-0.1 2,-0.3 1,-0.1 8,-0.1 0.818 98.3 1.1 -35.5 -46.3 -78.7 -66.9 -74.3 154 157 A R S S- 0 0 102 6,-0.1 2,-0.1 7,-0.0 -1,-0.1 -0.963 86.7 -90.2-145.4 160.5 -77.1 -70.1 -73.0 155 158 A T > - 0 0 24 -2,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.433 34.8-118.6 -73.1 144.4 -76.9 -73.8 -73.8 156 159 A Y T 3 S+ 0 0 92 1,-0.3 -1,-0.1 2,-0.1 -141,-0.0 0.384 110.5 76.9 -63.0 7.6 -79.5 -76.1 -72.3 157 160 A T T 3 S- 0 0 32 -141,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.356 107.1-122.6 -98.6 1.8 -76.5 -77.7 -70.7 158 161 A H S < S+ 0 0 174 -3,-2.4 -2,-0.1 1,-0.0 -4,-0.0 0.798 71.7 129.8 60.9 28.9 -76.2 -74.9 -68.2 159 162 A E - 0 0 73 -4,-0.4 2,-0.3 1,-0.1 -1,-0.0 0.481 57.9 -87.7 -85.0-134.7 -72.7 -74.3 -69.5 160 163 A V - 0 0 109 -6,-0.0 2,-0.5 2,-0.0 -6,-0.1 -0.992 19.6-138.7-151.0 140.7 -71.1 -71.0 -70.6 161 164 A V - 0 0 41 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.0 -0.858 25.9-125.0-102.3 128.3 -70.8 -69.0 -73.8 162 165 A T + 0 0 28 -2,-0.5 3,-0.1 1,-0.1 41,-0.1 -0.543 25.4 179.8 -73.7 133.7 -67.5 -67.4 -74.7 163 166 A L > + 0 0 24 39,-0.4 3,-2.2 -2,-0.3 -1,-0.1 0.437 54.0 104.3-107.8 -6.9 -67.7 -63.6 -75.3 164 167 A W T 3 S+ 0 0 77 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.688 84.8 40.7 -50.1 -28.2 -64.0 -63.2 -76.0 165 168 A Y T 3 S+ 0 0 8 -3,-0.1 2,-0.3 34,-0.1 -1,-0.3 0.275 83.9 126.0-109.2 12.1 -64.4 -62.8 -79.8 166 169 A R < - 0 0 37 -3,-2.2 -42,-0.1 1,-0.1 16,-0.1 -0.550 61.4-120.5 -76.9 130.2 -67.6 -60.7 -79.8 167 170 A A >> - 0 0 0 -2,-0.3 4,-1.9 -44,-0.1 3,-0.7 -0.291 23.3-116.8 -65.1 149.1 -67.4 -57.4 -81.8 168 171 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.833 112.7 59.3 -59.0 -32.5 -68.1 -54.2 -79.9 169 172 A E H 34>S+ 0 0 7 2,-0.2 5,-2.5 1,-0.2 7,-0.1 0.856 107.1 47.9 -65.6 -33.4 -71.2 -53.3 -81.8 170 173 A I H X45S+ 0 0 27 -3,-0.7 3,-1.9 3,-0.2 -1,-0.2 0.936 111.0 50.0 -69.7 -46.4 -72.8 -56.7 -80.7 171 174 A L H 3<5S+ 0 0 11 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.800 105.5 58.0 -60.8 -31.6 -71.7 -56.0 -77.1 172 175 A L T 3<5S- 0 0 0 -4,-1.9 60,-3.2 -5,-0.2 61,-0.3 0.261 123.9-106.0 -83.1 11.5 -73.3 -52.6 -77.3 173 176 A G T < 5 + 0 0 8 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.590 61.5 159.6 77.9 13.6 -76.6 -54.2 -78.2 174 177 A C < - 0 0 23 -5,-2.5 -1,-0.2 1,-0.1 -2,-0.1 -0.542 25.9-160.8 -69.1 127.7 -76.8 -53.5 -81.9 175 178 A K + 0 0 155 -2,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.214 66.4 83.6 -96.6 15.2 -79.2 -56.0 -83.4 176 179 A Y - 0 0 201 -7,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.973 66.7-157.3-119.2 118.5 -78.1 -55.6 -87.0 177 180 A Y - 0 0 77 -2,-0.5 2,-0.3 3,-0.0 -2,-0.1 -0.547 10.0-174.6 -94.4 159.6 -75.0 -57.6 -88.0 178 181 A S > - 0 0 45 -2,-0.2 3,-2.2 1,-0.0 4,-0.4 -0.940 45.9 -93.4-143.9 167.8 -72.5 -57.0 -90.8 179 182 A T T >> S+ 0 0 55 -2,-0.3 3,-1.3 1,-0.3 4,-1.1 0.750 115.2 75.5 -51.1 -27.8 -69.6 -58.9 -92.3 180 183 A A H 3> S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.769 79.8 67.9 -60.3 -28.2 -67.4 -56.8 -89.9 181 184 A V H <> S+ 0 0 1 -3,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.832 102.0 48.0 -62.9 -29.6 -68.3 -58.9 -86.9 182 185 A D H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.4 -1,-0.2 0.820 108.3 52.8 -78.4 -34.2 -66.4 -61.8 -88.4 183 186 A I H X S+ 0 0 1 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.914 109.3 50.8 -66.9 -41.8 -63.3 -59.7 -89.2 184 187 A W H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.962 111.5 46.9 -58.7 -52.2 -63.3 -58.5 -85.5 185 188 A S H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.921 112.8 48.9 -56.3 -46.8 -63.5 -62.1 -84.2 186 189 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.888 108.2 54.8 -62.3 -38.0 -60.8 -63.3 -86.6 187 190 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 76,-0.2 -1,-0.2 0.924 107.8 49.5 -59.6 -44.0 -58.6 -60.4 -85.5 188 191 A C H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 11,-0.4 0.902 111.9 48.2 -60.7 -40.6 -59.0 -61.5 -81.9 189 192 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.907 108.6 54.0 -67.1 -41.1 -58.0 -65.1 -83.0 190 193 A F H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.949 109.5 48.0 -57.2 -49.4 -55.0 -63.8 -84.9 191 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.894 110.3 52.6 -60.4 -40.3 -53.8 -61.9 -81.8 192 195 A E H X S+ 0 0 11 -4,-1.9 4,-2.1 1,-0.2 5,-0.4 0.889 106.7 51.5 -64.9 -40.8 -54.3 -65.0 -79.7 193 196 A M H < S+ 0 0 2 -4,-2.4 -97,-0.5 1,-0.2 -1,-0.2 0.905 114.4 45.5 -62.7 -37.8 -52.2 -67.2 -82.0 194 197 A V H < S+ 0 0 20 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.941 124.1 28.6 -70.3 -49.2 -49.4 -64.7 -81.9 195 198 A T H < S- 0 0 48 -4,-2.5 -2,-0.2 2,-0.3 -3,-0.2 0.659 96.7-128.6 -89.1 -16.7 -49.2 -64.0 -78.1 196 199 A R S < S+ 0 0 125 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.1 0.744 80.9 88.0 69.8 29.7 -50.5 -67.4 -76.9 197 200 A R S S- 0 0 193 -5,-0.4 -2,-0.3 -6,-0.3 -1,-0.2 -0.984 89.8 -95.9-153.4 142.2 -53.1 -65.7 -74.8 198 201 A A - 0 0 17 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.342 29.2-141.8 -60.0 139.2 -56.6 -64.5 -75.5 199 202 A L S S+ 0 0 30 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.943 91.8 14.8 -67.8 -50.2 -56.6 -60.8 -76.4 200 203 A F S S+ 0 0 3 -36,-0.3 2,-1.8 2,-0.1 -1,-0.3 -0.736 70.5 178.7-128.5 79.2 -59.9 -59.9 -74.6 201 204 A P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 7,-0.1 -0.431 17.0-179.6 -83.9 69.3 -60.8 -62.7 -72.1 202 205 A G - 0 0 6 -2,-1.8 -39,-0.4 1,-0.1 -38,-0.2 -0.341 26.8-158.2 -70.8 147.3 -63.9 -61.1 -70.6 203 206 A D S S+ 0 0 126 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.514 79.7 13.5-100.8 -5.8 -65.9 -62.9 -67.9 204 207 A S S > S- 0 0 44 1,-0.1 4,-2.8 -41,-0.0 5,-0.2 -0.936 88.0 -96.5-155.4 170.3 -69.1 -60.9 -68.6 205 208 A E H > S+ 0 0 118 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.921 124.7 43.8 -63.7 -41.3 -70.5 -58.6 -71.3 206 209 A I H > S+ 0 0 84 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.892 115.5 48.3 -72.3 -35.5 -69.5 -55.4 -69.5 207 210 A D H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.897 111.9 50.9 -68.7 -37.4 -66.1 -56.9 -68.6 208 211 A Q H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.948 113.0 45.5 -62.4 -47.9 -65.7 -57.9 -72.2 209 212 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.922 114.0 47.6 -61.3 -46.3 -66.6 -54.4 -73.3 210 213 A F H X S+ 0 0 34 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.811 106.5 56.9 -69.5 -28.8 -64.3 -52.7 -70.8 211 214 A R H X S+ 0 0 84 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.915 109.9 46.4 -66.4 -38.7 -61.4 -55.0 -71.6 212 215 A I H >X S+ 0 0 0 -4,-1.7 4,-3.1 -5,-0.2 3,-0.7 0.952 113.1 49.3 -65.4 -46.7 -61.7 -53.8 -75.2 213 216 A F H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.883 107.0 54.8 -60.4 -40.5 -62.0 -50.2 -74.1 214 217 A R H 3< S+ 0 0 94 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.783 117.6 36.1 -67.2 -24.5 -58.9 -50.4 -71.8 215 218 A T H << S+ 0 0 36 -4,-1.1 28,-2.6 -3,-0.7 -2,-0.2 0.901 130.9 25.9 -92.3 -49.2 -56.8 -51.6 -74.7 216 219 A L H < S- 0 0 6 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.462 114.7-103.7 -95.6 -0.5 -58.1 -49.7 -77.7 217 220 A G < - 0 0 6 -4,-1.9 24,-0.2 24,-0.4 -1,-0.2 0.178 45.3 -67.2 90.1 146.6 -59.5 -46.7 -75.8 218 221 A T - 0 0 23 22,-2.4 24,-0.1 -4,-0.1 -8,-0.0 -0.547 62.8-120.0 -69.3 126.1 -63.1 -45.9 -75.0 219 222 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.290 36.1 179.1 -67.3 153.7 -64.7 -45.2 -78.4 220 223 A D > - 0 0 74 7,-0.0 4,-2.4 8,-0.0 7,-0.2 -0.829 47.8 -82.0-142.3-178.4 -66.3 -41.8 -79.1 221 224 A E T 4 S+ 0 0 78 -2,-0.3 6,-0.0 1,-0.2 5,-0.0 0.673 121.4 61.7 -64.8 -18.5 -68.1 -40.1 -81.9 222 225 A V T 4 S+ 0 0 122 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.955 116.2 26.1 -73.6 -52.0 -64.8 -39.2 -83.5 223 226 A V T 4 S+ 0 0 68 1,-0.2 44,-0.5 -3,-0.2 -2,-0.2 0.739 137.7 29.0 -84.1 -21.3 -63.6 -42.7 -84.1 224 227 A W S >< S- 0 0 8 -4,-2.4 3,-2.5 42,-0.1 4,-0.3 -0.621 77.5-153.7-141.4 81.3 -67.0 -44.3 -84.3 225 228 A P T 3 S+ 0 0 73 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.296 85.5 22.4 -56.4 129.6 -69.8 -42.0 -85.5 226 229 A G T > S+ 0 0 31 41,-0.0 3,-1.4 4,-0.0 4,-0.3 0.264 86.5 117.7 96.6 -9.0 -73.1 -43.2 -84.1 227 230 A V G X + 0 0 0 -3,-2.5 3,-1.9 1,-0.3 6,-0.1 0.875 68.2 59.0 -60.6 -38.7 -71.6 -45.0 -81.1 228 231 A T G 3 S+ 0 0 63 1,-0.3 -1,-0.3 -4,-0.3 -7,-0.0 0.614 104.9 53.5 -70.1 -6.1 -73.2 -42.9 -78.5 229 232 A S G < S+ 0 0 99 -3,-1.4 -1,-0.3 5,-0.1 -2,-0.2 0.408 78.8 123.6-104.6 -0.3 -76.6 -43.9 -79.9 230 233 A M S X S- 0 0 41 -3,-1.9 3,-1.7 -4,-0.3 -57,-0.1 -0.274 76.7-106.2 -59.1 147.0 -76.0 -47.6 -79.7 231 234 A P T 3 S+ 0 0 83 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.838 114.2 26.9 -43.5 -49.7 -78.7 -49.5 -77.7 232 235 A D T 3 S+ 0 0 80 -60,-3.2 2,-0.2 2,-0.1 -59,-0.2 0.209 86.8 128.3-105.4 16.9 -76.6 -50.2 -74.6 233 236 A Y < - 0 0 43 -3,-1.7 -5,-0.0 -61,-0.3 -61,-0.0 -0.503 40.2-162.8 -70.0 140.8 -74.1 -47.3 -74.8 234 237 A K > - 0 0 108 -2,-0.2 3,-2.3 1,-0.1 -5,-0.1 -0.993 22.9-143.2-129.2 127.4 -73.9 -45.4 -71.5 235 238 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.693 101.0 68.8 -59.6 -16.7 -72.5 -41.9 -71.2 236 239 A S T 3 + 0 0 106 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.346 67.9 125.7 -85.4 5.6 -71.1 -43.1 -67.9 237 240 A F S < S- 0 0 22 -3,-2.3 -19,-0.0 1,-0.1 -4,-0.0 -0.413 73.2-104.1 -60.8 138.9 -68.7 -45.5 -69.5 238 241 A P - 0 0 53 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.345 30.0-124.0 -63.8 150.1 -65.2 -44.8 -68.1 239 242 A K - 0 0 162 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.833 33.5-176.7-101.8 97.6 -63.0 -42.9 -70.6 240 243 A W - 0 0 71 -2,-0.9 -22,-2.4 -21,-0.0 2,-0.2 -0.781 24.5-122.9 -95.6 139.6 -59.8 -45.0 -71.1 241 244 A A - 0 0 60 -2,-0.4 -24,-0.4 -24,-0.2 2,-0.1 -0.492 36.8 -98.1 -76.9 147.3 -56.9 -43.7 -73.3 242 245 A R - 0 0 123 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.426 41.7-123.7 -66.8 140.3 -55.9 -46.0 -76.2 243 246 A Q - 0 0 86 -28,-2.6 2,-0.1 1,-0.1 -1,-0.1 -0.481 33.3 -84.9 -86.7 156.0 -52.8 -48.1 -75.4 244 247 A D >> - 0 0 105 1,-0.2 3,-1.4 -2,-0.2 4,-0.5 -0.408 38.0-142.8 -55.8 123.7 -49.6 -48.3 -77.4 245 248 A F H >> S+ 0 0 32 1,-0.3 4,-0.8 2,-0.2 3,-0.7 0.741 96.0 68.0 -67.8 -20.2 -50.4 -50.8 -80.1 246 249 A S H 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.638 96.5 56.2 -72.2 -12.5 -46.9 -52.2 -79.9 247 250 A K H <4 S+ 0 0 150 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.703 95.9 69.2 -88.3 -23.5 -47.8 -53.5 -76.5 248 251 A V H << S+ 0 0 22 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.1 0.937 116.1 7.4 -62.8 -57.2 -50.8 -55.4 -77.8 249 252 A V S >< S- 0 0 0 -4,-0.8 3,-2.4 3,-0.1 -1,-0.2 -0.279 90.3-155.0-127.0 50.4 -49.3 -58.3 -79.9 250 253 A P T 3 + 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.416 68.9 18.9 -66.8 149.5 -45.5 -58.3 -79.3 251 254 A P T 3 S+ 0 0 125 0, 0.0 -4,-0.0 0, 0.0 -5,-0.0 -0.769 86.4 120.4-107.6 40.3 -43.4 -59.2 -81.0 252 255 A L < - 0 0 12 -3,-2.4 -3,-0.1 1,-0.1 5,-0.0 -0.279 65.8-110.5 -56.5 142.0 -45.4 -59.3 -84.3 253 256 A D > - 0 0 66 1,-0.1 4,-2.6 -3,-0.1 3,-0.3 -0.135 32.5 -92.7 -71.8 172.7 -43.8 -57.1 -87.0 254 257 A E H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.789 123.1 55.2 -58.8 -33.1 -45.3 -53.9 -88.4 255 258 A D H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.944 111.8 44.2 -67.1 -43.4 -47.2 -55.5 -91.3 256 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.922 114.8 49.3 -64.4 -43.2 -48.9 -57.9 -88.9 257 260 A R H X S+ 0 0 58 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.911 111.2 48.7 -63.9 -40.8 -49.7 -55.1 -86.5 258 261 A S H X S+ 0 0 32 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.940 112.3 47.8 -67.0 -43.2 -51.1 -52.8 -89.2 259 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 3,-0.4 0.954 112.7 49.5 -61.4 -45.7 -53.3 -55.5 -90.6 260 263 A L H >X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.5 0.917 106.9 55.1 -59.9 -42.1 -54.5 -56.4 -87.0 261 264 A S H 3< S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 107.7 50.1 -60.7 -31.1 -55.3 -52.7 -86.3 262 265 A Q H >< S+ 0 0 72 -4,-1.6 10,-2.2 -3,-0.4 3,-0.5 0.759 108.8 51.7 -78.1 -24.6 -57.5 -52.6 -89.4 263 266 A M H << S+ 0 0 0 -4,-1.4 -76,-0.2 -3,-0.5 -1,-0.2 0.673 112.0 49.0 -82.2 -18.5 -59.3 -55.7 -88.3 264 267 A L T 3< S+ 0 0 2 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.127 73.5 136.6-109.7 20.9 -59.9 -54.1 -84.9 265 268 A H < - 0 0 68 -3,-0.5 6,-0.1 1,-0.1 -3,-0.1 -0.411 55.8-132.2 -63.5 142.8 -61.3 -50.7 -85.8 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.951 90.0 72.5 -61.4 -51.9 -64.3 -49.8 -83.7 267 270 A D S >> S- 0 0 12 -44,-0.5 3,-1.9 1,-0.2 4,-1.1 -0.556 76.4-147.1 -69.8 116.1 -66.6 -48.6 -86.5 268 271 A P G >4 S+ 0 0 20 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.865 98.6 59.4 -51.5 -36.8 -67.7 -51.8 -88.3 269 272 A N G 34 S+ 0 0 148 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.725 106.3 45.1 -67.4 -21.6 -67.7 -49.7 -91.5 270 273 A K G <4 S+ 0 0 107 -3,-1.9 -1,-0.2 2,-0.1 2,-0.1 0.565 88.3 109.3 -95.8 -11.4 -64.0 -48.8 -91.2 271 274 A R S << S- 0 0 14 -4,-1.1 -8,-0.2 -3,-0.6 -9,-0.1 -0.402 81.6-103.0 -67.1 137.5 -63.0 -52.4 -90.4 272 275 A I - 0 0 21 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.289 33.6-122.4 -62.5 145.5 -61.0 -54.0 -93.3 273 276 A S > - 0 0 59 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.469 21.2-114.4 -83.6 162.4 -63.0 -56.5 -95.5 274 277 A A H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -161,-0.1 0.916 117.3 53.7 -62.6 -41.2 -61.7 -60.1 -95.8 275 278 A K H > S+ 0 0 167 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.939 111.2 42.8 -59.4 -49.2 -61.1 -59.4 -99.5 276 279 A A H >4 S+ 0 0 48 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.869 109.6 58.9 -65.9 -36.0 -59.0 -56.3 -98.9 277 280 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.854 95.7 62.6 -61.6 -34.6 -57.1 -58.0 -96.1 278 281 A L H 3< S+ 0 0 46 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.798 103.4 51.1 -60.9 -26.7 -56.0 -60.8 -98.4 279 282 A A T << S+ 0 0 79 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.422 81.8 122.5 -91.4 0.3 -54.1 -58.1 -100.3 280 283 A H S X S- 0 0 19 -3,-1.6 3,-2.1 -4,-0.3 4,-0.1 -0.320 74.6-117.9 -64.3 143.6 -52.3 -56.6 -97.3 281 284 A P G > S+ 0 0 69 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.741 107.1 79.0 -54.2 -23.0 -48.4 -56.6 -97.5 282 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.826 93.5 49.4 -55.9 -30.7 -48.4 -59.0 -94.4 283 286 A F G X S+ 0 0 11 -3,-2.1 3,-1.5 -6,-0.2 -1,-0.3 0.269 75.7 108.3 -94.4 12.9 -49.2 -61.8 -96.8 284 287 A Q T < S+ 0 0 163 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.885 91.4 31.0 -57.0 -38.8 -46.5 -61.0 -99.4 285 288 A D T 3 S+ 0 0 108 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.041 86.2 149.8-109.6 28.7 -44.5 -64.1 -98.3 286 289 A V < + 0 0 41 -3,-1.5 2,-0.2 -184,-0.1 -186,-0.1 -0.309 14.9 168.2 -65.9 142.4 -47.3 -66.4 -97.3 287 290 A T - 0 0 83 -188,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.764 38.6-108.6-138.2-177.9 -46.7 -70.2 -97.7 288 291 A K - 0 0 130 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.708 36.9-175.4-125.6 83.2 -48.5 -73.3 -96.6 289 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.275 27.5-116.3 -71.5 160.0 -46.5 -75.2 -93.8 290 293 A V - 0 0 108 -154,-0.0 -155,-0.1 1,-0.0 2,-0.1 -0.826 31.3-129.2 -97.4 134.3 -47.6 -78.5 -92.4 291 294 A P - 0 0 9 0, 0.0 2,-1.0 0, 0.0 -155,-0.0 -0.427 14.1-117.7 -81.6 160.2 -48.5 -78.5 -88.7 292 295 A H - 0 0 153 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.863 45.3-176.7 -95.7 102.0 -47.1 -80.8 -86.1 293 296 A L - 0 0 11 -2,-1.0 2,-0.7 -159,-0.1 -206,-0.0 -0.890 21.2-158.9-107.4 127.9 -50.4 -82.4 -85.1 294 297 A R 0 0 182 -2,-0.5 -204,-0.0 1,-0.2 -2,-0.0 -0.913 360.0 360.0-106.6 110.9 -50.7 -85.0 -82.3 295 298 A L 0 0 146 -2,-0.7 -1,-0.2 -213,-0.0 0, 0.0 0.780 360.0 360.0-100.8 360.0 -54.0 -86.9 -82.9