==== 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 23-MAR-11 3R7U . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 67.0 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 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 27.3 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+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 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 . 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 73 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.2 107.1 93.0 -49.1 2 2 A E T 3 + 0 0 170 1,-0.2 22,-0.0 3,-0.1 3,-0.0 0.403 360.0 71.1 -91.9 -1.2 106.7 96.7 -49.7 3 3 A N T 3 S+ 0 0 82 21,-0.1 21,-1.3 20,-0.1 2,-0.4 0.330 94.4 59.9 -96.3 4.5 104.7 95.7 -52.8 4 4 A F E < -A 23 0A 26 -3,-0.6 2,-0.7 19,-0.2 19,-0.2 -0.998 69.2-144.7-138.0 135.8 101.7 94.5 -50.9 5 5 A Q E -A 22 0A 99 17,-2.4 17,-1.8 -2,-0.4 2,-0.4 -0.884 27.2-127.8 -99.8 117.2 99.4 96.1 -48.4 6 6 A K E +A 21 0A 141 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.503 31.4 174.9 -64.8 120.0 98.4 93.7 -45.6 7 7 A V E - 0 0 71 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.788 62.7 -25.0 -95.4 -34.0 94.6 93.8 -45.5 8 8 A E E -A 20 0A 114 12,-1.5 12,-3.3 0, 0.0 2,-0.7 -0.961 58.2-106.6-173.9 156.1 94.1 91.1 -42.9 9 9 A K E -A 19 0A 114 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.853 32.3-178.7 -94.0 114.5 95.7 88.0 -41.4 10 10 A I E - 0 0 65 8,-1.5 2,-0.3 -2,-0.7 9,-0.2 0.261 53.6 -41.2-100.9 14.2 93.7 85.1 -42.8 11 11 A G E -A 18 0A 24 7,-0.8 7,-2.3 2,-0.0 2,-0.4 -0.855 46.5 -94.4 152.4 172.0 95.5 82.3 -41.0 12 12 A E E -A 17 0A 119 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.720 52.3-157.3-120.8 73.9 98.5 80.4 -39.7 13 13 A G - 0 0 32 3,-0.8 -2,-0.0 -2,-0.4 5,-0.0 0.209 31.5 -98.5 -47.0 171.1 99.1 78.0 -42.5 14 14 A T S S+ 0 0 93 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.782 125.2 29.8 -65.2 -27.8 101.0 74.7 -42.3 15 15 A Y S S- 0 0 45 1,-0.3 21,-1.3 21,-0.1 2,-0.3 0.774 130.1 -42.8-102.7 -34.2 104.1 76.5 -43.6 16 16 A G S S- 0 0 0 19,-0.2 -3,-0.8 20,-0.1 -1,-0.3 -0.934 77.3 -41.0-171.2-166.6 103.7 80.0 -42.3 17 17 A V E -A 12 0A 24 17,-0.4 17,-2.6 -2,-0.3 2,-0.4 -0.531 48.8-152.2 -78.5 144.9 101.5 83.1 -41.8 18 18 A V E -AB 11 33A 26 -7,-2.3 -8,-1.5 15,-0.2 -7,-0.8 -0.974 11.2-171.5-124.0 133.8 99.0 84.0 -44.5 19 19 A Y E -AB 9 32A 46 13,-2.6 13,-3.3 -2,-0.4 2,-0.5 -0.912 27.8-128.2-122.9 148.1 97.7 87.5 -45.3 20 20 A K E +AB 8 31A 43 -12,-3.3 -13,-2.9 -2,-0.3 -12,-1.5 -0.834 48.5 176.9 -87.2 130.8 95.0 88.8 -47.5 21 21 A A E -AB 6 30A 0 9,-2.8 9,-3.1 -2,-0.5 2,-0.4 -0.974 30.1-136.5-140.2 155.9 97.0 91.5 -49.4 22 22 A R E -AB 5 29A 102 -17,-1.8 -17,-2.4 -2,-0.3 2,-0.7 -0.936 23.6-125.6-114.3 132.5 96.6 94.0 -52.2 23 23 A N E > -A 4 0A 29 5,-2.9 4,-3.2 -2,-0.4 -19,-0.2 -0.679 18.1-146.8 -75.9 113.1 99.2 94.6 -54.9 24 24 A K T 4 S+ 0 0 152 -21,-1.3 -1,-0.2 -2,-0.7 -20,-0.1 0.816 94.3 37.9 -50.0 -38.0 99.9 98.3 -54.7 25 25 A L T 4 S+ 0 0 165 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.914 127.1 29.8 -82.8 -48.1 100.5 98.5 -58.5 26 26 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.735 90.0-135.0 -86.1 -24.7 97.9 96.1 -59.9 27 27 A G < + 0 0 13 -4,-3.2 -3,-0.1 1,-0.3 -1,-0.0 0.354 53.3 151.2 84.1 -7.6 95.3 96.5 -57.3 28 28 A E - 0 0 89 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.5 -0.289 42.5-137.7 -59.1 137.4 94.9 92.8 -57.4 29 29 A V E +B 22 0A 56 -7,-0.2 46,-0.6 -3,-0.1 2,-0.2 -0.886 35.7 163.5-101.8 128.8 93.8 91.2 -54.1 30 30 A V E -BC 21 74A 0 -9,-3.1 -9,-2.8 -2,-0.5 2,-0.6 -0.810 43.5-109.3-137.9 173.3 95.7 88.0 -53.3 31 31 A A E -BC 20 73A 14 42,-2.5 42,-2.9 -2,-0.2 2,-0.6 -0.961 35.3-160.7-107.3 124.2 96.5 85.6 -50.5 32 32 A L E -BC 19 72A 12 -13,-3.3 -13,-2.6 -2,-0.6 2,-0.5 -0.922 4.2-166.0-111.6 119.3 100.2 86.0 -49.5 33 33 A K E -BC 18 71A 9 38,-2.9 38,-2.4 -2,-0.6 2,-0.7 -0.902 10.4-151.2-108.8 128.1 101.9 83.2 -47.7 34 34 A K E - C 0 70A 103 -17,-2.6 -17,-0.4 -2,-0.5 2,-0.4 -0.873 19.0-144.5 -95.6 114.6 105.2 83.7 -45.9 35 35 A I E C 0 69A 20 34,-3.1 34,-0.7 -2,-0.7 -19,-0.2 -0.672 360.0 360.0 -83.8 131.1 107.0 80.3 -45.9 36 36 A R 0 0 216 -21,-1.3 -1,-0.2 -2,-0.4 -20,-0.1 0.943 360.0 360.0 -87.6 360.0 109.1 79.6 -42.8 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 45 A P > 0 0 130 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 107.9 116.3 74.8 -50.8 39 46 A S H > + 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.770 360.0 60.3 -66.4 -25.0 116.8 75.3 -54.5 40 47 A T H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.857 105.7 47.0 -69.1 -35.1 115.0 71.9 -54.9 41 48 A A H > S+ 0 0 3 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.897 111.5 51.7 -72.2 -40.9 112.0 73.6 -53.3 42 49 A I H X S+ 0 0 37 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.940 112.5 43.2 -61.1 -50.7 112.3 76.6 -55.5 43 50 A R H X S+ 0 0 196 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.890 116.5 48.6 -64.2 -39.7 112.4 74.7 -58.8 44 51 A E H >X S+ 0 0 40 -4,-1.7 4,-1.1 -5,-0.2 3,-0.7 0.955 112.8 45.6 -66.2 -51.4 109.6 72.4 -57.7 45 52 A I H >X S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.3 4,-0.6 0.932 108.4 58.8 -57.1 -45.1 107.3 75.2 -56.5 46 53 A S H >< S+ 0 0 44 -4,-2.6 3,-0.9 -5,-0.3 -1,-0.3 0.818 99.3 58.4 -54.4 -32.0 108.1 77.1 -59.7 47 54 A L H X< S+ 0 0 110 -4,-1.2 3,-1.8 -3,-0.7 4,-0.3 0.863 95.5 63.8 -67.6 -33.7 106.7 74.1 -61.6 48 55 A L H X< S+ 0 0 18 -4,-1.1 3,-1.0 -3,-1.1 11,-0.4 0.676 83.1 76.7 -64.8 -16.7 103.4 74.5 -59.9 49 56 A K T << S+ 0 0 48 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.716 95.5 50.3 -66.4 -18.3 102.9 77.9 -61.5 50 57 A E T < S+ 0 0 124 -3,-1.8 2,-2.2 -4,-0.2 -1,-0.3 0.564 82.7 96.7 -93.9 -11.5 102.0 76.0 -64.7 51 58 A L < + 0 0 17 -3,-1.0 2,-0.5 -4,-0.3 8,-0.1 -0.469 57.0 163.9 -80.1 70.6 99.5 73.7 -62.9 52 59 A N + 0 0 75 -2,-2.2 5,-0.1 6,-0.1 -3,-0.0 -0.803 4.8 142.8-100.4 126.3 96.5 75.9 -63.9 53 60 A H > - 0 0 40 -2,-0.5 3,-2.2 3,-0.4 54,-0.0 -0.978 56.4-113.3-154.9 146.3 92.9 74.6 -63.7 54 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.703 117.5 48.1 -58.5 -19.9 89.6 76.2 -62.7 55 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.8 48,-0.1 2,-0.4 0.162 99.1 80.5-106.8 19.4 89.3 74.0 -59.6 56 63 A I B < S-e 136 0B 9 -3,-2.2 -3,-0.4 79,-0.3 2,-0.3 -0.992 88.0-115.4-124.6 126.4 92.8 74.6 -58.5 57 64 A V - 0 0 9 79,-2.6 81,-0.2 -2,-0.4 82,-0.2 -0.424 42.8-115.9 -59.8 120.9 93.7 77.8 -56.6 58 65 A K - 0 0 84 -2,-0.3 16,-2.5 1,-0.1 2,-0.9 -0.337 13.2-141.0 -66.7 134.0 96.2 79.6 -58.9 59 66 A L E -D 73 0A 8 -11,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.854 23.7-179.6 -92.9 107.1 99.7 80.1 -57.8 60 67 A L E - 0 0 25 12,-2.0 2,-0.3 -2,-0.9 13,-0.2 0.908 56.9 -0.7 -76.6 -44.7 100.4 83.5 -59.1 61 68 A D E -D 72 0A 86 11,-1.6 11,-2.8 2,-0.0 2,-0.5 -1.000 43.8-151.0-153.6 153.2 104.0 84.0 -58.0 62 69 A V E -D 71 0A 25 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.989 26.5-165.4-120.4 111.5 106.9 82.5 -56.2 63 70 A I E +D 70 0A 35 7,-2.7 7,-2.4 -2,-0.5 2,-0.6 -0.914 14.4 176.4-110.1 118.4 109.0 85.3 -54.7 64 71 A H E +D 69 0A 104 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.908 28.5 135.4-120.1 95.8 112.4 84.5 -53.5 65 72 A T E > +D 68 0A 64 3,-1.2 3,-2.4 -2,-0.6 -2,-0.1 -0.947 63.0 16.4-139.1 158.0 114.0 87.7 -52.4 66 73 A E T 3 S- 0 0 163 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.829 128.2 -70.1 44.8 35.2 116.1 88.8 -49.3 67 74 A N T 3 S+ 0 0 146 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.843 110.9 117.4 51.4 39.7 116.5 85.0 -48.9 68 75 A K E < - D 0 65A 108 -3,-2.4 -3,-1.2 2,-0.0 2,-0.5 -0.918 58.9-132.2-129.8 156.1 112.9 84.6 -47.9 69 76 A L E +CD 35 64A 21 -34,-0.7 -34,-3.1 -2,-0.3 2,-0.4 -0.945 23.5 174.6-120.3 121.9 110.1 82.7 -49.6 70 77 A Y E -CD 34 63A 37 -7,-2.4 -7,-2.7 -2,-0.5 2,-0.5 -0.959 14.8-157.1-122.7 139.2 106.6 84.1 -50.4 71 78 A L E -CD 33 62A 0 -38,-2.4 -38,-2.9 -2,-0.4 2,-0.6 -0.962 7.8-156.3-116.0 129.8 103.8 82.3 -52.3 72 79 A V E -CD 32 61A 5 -11,-2.8 -12,-2.0 -2,-0.5 -11,-1.6 -0.950 18.8-175.6-109.4 123.5 101.2 84.6 -53.9 73 80 A F E -CD 31 59A 20 -42,-2.9 -42,-2.5 -2,-0.6 -14,-0.2 -0.843 34.6 -93.7-120.4 154.6 97.9 82.8 -54.5 74 81 A E E -C 30 0A 49 -16,-2.5 2,-0.4 -2,-0.3 -44,-0.1 -0.335 51.4-121.4 -55.8 141.8 94.6 83.6 -56.1 75 82 A F + 0 0 40 -46,-0.6 2,-0.4 -45,-0.0 -1,-0.1 -0.788 30.9 178.9 -99.1 136.0 92.2 84.9 -53.4 76 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.977 27.8-131.8-129.7 145.4 88.8 83.3 -52.5 77 84 A H S S+ 0 0 110 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.614 77.2 21.2 -75.2 -17.9 86.6 84.6 -49.7 78 85 A Q E -F 128 0B 34 50,-1.1 50,-2.6 204,-0.0 2,-0.3 -0.987 60.8-137.1-150.9 156.7 85.7 81.4 -47.7 79 86 A D E > -F 127 0B 15 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.733 30.7-113.7-110.0 165.2 86.8 77.9 -47.0 80 87 A L H > S+ 0 0 0 46,-2.5 4,-3.1 43,-1.2 5,-0.2 0.809 112.2 61.7 -68.1 -30.8 84.7 74.8 -46.8 81 88 A K H > S+ 0 0 78 42,-0.8 4,-2.0 45,-0.3 -1,-0.2 0.954 109.2 42.2 -60.8 -47.6 85.3 74.3 -43.1 82 89 A K H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.911 114.0 51.9 -65.9 -40.0 83.7 77.6 -42.3 83 90 A F H X S+ 0 0 8 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.916 108.9 50.7 -63.3 -42.7 80.9 77.0 -44.8 84 91 A M H < S+ 0 0 19 -4,-3.1 4,-0.3 2,-0.2 -1,-0.2 0.912 110.7 48.6 -62.9 -39.6 80.1 73.6 -43.3 85 92 A D H >< S+ 0 0 100 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.927 111.7 49.8 -63.9 -43.3 80.0 75.1 -39.8 86 93 A A H 3< S+ 0 0 81 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.733 115.0 44.3 -65.7 -23.6 77.7 77.9 -41.1 87 94 A S T 3X S+ 0 0 15 -4,-1.5 4,-3.7 -5,-0.2 3,-0.4 0.302 82.7 107.4-103.3 8.1 75.4 75.2 -42.7 88 95 A A T <4 S+ 0 0 45 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.787 72.8 54.8 -56.6 -36.8 75.5 72.9 -39.7 89 96 A L T 4 S+ 0 0 172 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.891 129.8 13.0 -67.1 -40.2 71.9 73.6 -38.6 90 97 A T T 4 S- 0 0 115 -3,-0.4 -2,-0.2 1,-0.0 -1,-0.2 0.611 105.3-128.5-110.3 -21.0 70.3 72.7 -41.9 91 98 A G < - 0 0 8 -4,-3.7 -3,-0.1 -7,-0.2 92,-0.1 0.154 34.4 -66.7 84.5 154.0 73.2 71.0 -43.7 92 99 A I - 0 0 11 90,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.647 63.9-107.0 -74.7 129.3 74.6 71.6 -47.2 93 100 A P >> - 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.279 25.0-117.4 -58.2 144.2 71.9 70.7 -49.7 94 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.854 112.3 58.3 -51.8 -41.4 72.7 67.4 -51.6 95 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 181,-0.4 0.875 110.5 43.0 -58.5 -35.9 72.8 69.2 -55.0 96 103 A L H <> S+ 0 0 4 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.856 111.7 53.2 -77.3 -37.4 75.6 71.5 -53.7 97 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.955 112.4 47.3 -59.4 -46.5 77.4 68.6 -52.0 98 105 A K H X S+ 0 0 12 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.904 111.4 49.2 -62.5 -43.6 77.3 66.8 -55.3 99 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.938 113.0 47.4 -61.1 -47.4 78.5 69.8 -57.3 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.928 112.4 48.4 -61.5 -46.0 81.4 70.4 -54.9 101 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.929 112.2 49.6 -60.5 -44.3 82.5 66.8 -54.9 102 109 A F H X S+ 0 0 53 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.920 112.8 46.8 -60.6 -45.5 82.3 66.7 -58.8 103 110 A Q H X S+ 0 0 13 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.910 111.2 50.8 -65.4 -40.8 84.4 69.9 -59.1 104 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.900 109.3 51.6 -63.6 -40.1 87.0 68.7 -56.5 105 112 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.865 107.1 53.6 -64.6 -35.3 87.3 65.4 -58.4 106 113 A Q H X S+ 0 0 64 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.928 110.1 47.8 -63.4 -42.8 87.9 67.4 -61.6 107 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 113.8 46.5 -62.7 -43.8 90.7 69.2 -59.9 108 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.938 109.7 53.7 -64.8 -44.8 92.2 66.0 -58.6 109 116 A A H X S+ 0 0 25 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.906 110.7 47.8 -55.9 -42.8 91.9 64.3 -62.0 110 117 A F H X S+ 0 0 46 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.963 115.4 42.6 -63.1 -52.8 93.8 67.2 -63.5 111 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-1.0 0.925 114.5 50.5 -61.5 -44.8 96.6 67.3 -60.9 112 119 A H H ><5S+ 0 0 29 -4,-3.4 3,-1.7 1,-0.3 -1,-0.2 0.856 104.6 57.3 -62.6 -35.1 96.9 63.6 -60.8 113 120 A S H 3<5S+ 0 0 73 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.719 108.8 48.3 -68.0 -19.8 97.2 63.4 -64.7 114 121 A H T <<5S- 0 0 99 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.134 121.3-110.3-104.1 17.6 100.2 65.8 -64.3 115 122 A R T < 5S+ 0 0 198 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.792 74.6 135.0 59.5 34.1 101.7 63.6 -61.5 116 123 A V < - 0 0 22 -5,-2.6 2,-0.3 -8,-0.1 -1,-0.2 -0.954 34.6-166.9-115.5 129.7 101.0 66.2 -58.8 117 124 A L - 0 0 32 -2,-0.5 23,-1.5 1,-0.2 26,-0.3 -0.793 17.7-155.5-111.1 155.4 99.6 65.0 -55.5 118 125 A H - 0 0 4 -2,-0.3 24,-0.5 21,-0.2 25,-0.2 0.903 16.6-176.6 -90.7 -56.6 98.1 67.2 -52.7 119 126 A R S S+ 0 0 62 49,-0.1 20,-0.1 48,-0.1 -1,-0.1 0.164 70.7 55.1 81.3 -17.0 98.7 64.8 -49.7 120 127 A D + 0 0 25 18,-0.1 2,-0.1 35,-0.1 5,-0.1 -0.150 66.0 162.4-141.5 45.6 97.0 67.0 -47.1 121 128 A L + 0 0 0 33,-0.2 33,-0.1 3,-0.1 17,-0.0 -0.425 11.5 148.9 -66.5 140.0 93.5 67.8 -48.3 122 129 A K > - 0 0 24 -2,-0.1 3,-2.0 31,-0.0 -42,-0.2 -0.952 61.6 -93.1-164.5 158.7 91.1 69.0 -45.6 123 130 A P G > S+ 0 0 4 0, 0.0 3,-1.6 0, 0.0 -43,-1.2 0.828 119.4 63.6 -48.0 -38.3 88.0 71.4 -45.5 124 131 A Q G 3 S+ 0 0 106 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.698 103.6 45.8 -63.8 -25.0 90.3 74.3 -44.6 125 132 A N G < S+ 0 0 7 -3,-2.0 12,-2.7 -5,-0.1 2,-0.6 0.175 90.8 90.5-106.0 22.2 92.1 74.1 -47.9 126 133 A L E < - G 0 136B 0 -3,-1.6 -46,-2.5 10,-0.2 2,-0.4 -0.967 66.7-162.4-110.1 115.4 89.1 73.8 -50.1 127 134 A L E -FG 79 135B 32 8,-2.7 8,-2.6 -2,-0.6 2,-0.3 -0.803 6.7-165.1-107.3 145.1 88.0 77.3 -51.0 128 135 A I E -FG 78 134B 0 -50,-2.6 -50,-1.1 -2,-0.4 2,-0.2 -0.833 4.4-164.1-126.5 160.0 84.7 78.6 -52.4 129 136 A N > - 0 0 38 4,-1.5 3,-1.1 -2,-0.3 -53,-0.1 -0.747 41.1 -94.0-131.1-179.8 83.3 81.6 -54.0 130 137 A T T 3 S+ 0 0 75 1,-0.2 152,-0.1 -2,-0.2 -2,-0.0 0.578 113.2 68.8 -73.4 -10.3 79.8 83.1 -54.7 131 138 A E T 3 S- 0 0 143 148,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.363 117.9-101.6 -90.7 1.5 79.6 81.6 -58.2 132 139 A G S < S+ 0 0 0 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.598 78.2 137.1 88.8 10.5 79.3 78.0 -56.9 133 140 A A - 0 0 10 144,-0.1 -4,-1.5 -30,-0.0 2,-0.4 -0.606 34.4-166.2 -90.2 152.3 82.9 77.1 -57.6 134 141 A I E - G 0 128B 0 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.992 9.1-167.7-134.7 140.6 85.2 75.2 -55.2 135 142 A K E - G 0 127B 28 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.4 -0.978 21.9-121.5-134.8 146.7 88.9 75.0 -55.6 136 143 A L E -eG 56 126B 1 -81,-2.8 -79,-2.6 -2,-0.3 2,-0.3 -0.703 29.6-157.2 -86.3 129.3 91.8 72.9 -54.1 137 144 A A + 0 0 8 -12,-2.7 -79,-0.1 -2,-0.4 -12,-0.0 -0.856 64.6 20.3-111.2 145.3 94.5 75.0 -52.4 138 145 A D S >> S+ 0 0 37 -2,-0.3 3,-1.3 1,-0.2 4,-0.5 0.683 70.8 172.1 75.6 25.9 98.1 74.0 -51.7 139 146 A F T 34 + 0 0 12 -3,-0.3 -21,-0.2 1,-0.2 -1,-0.2 -0.418 69.7 8.1 -64.5 137.6 98.5 71.2 -54.3 140 147 A G T 3> S+ 0 0 5 -23,-1.5 4,-1.7 -2,-0.1 -1,-0.2 0.279 95.2 108.8 78.0 -11.7 102.1 70.1 -54.6 141 148 A L H <> S+ 0 0 2 -3,-1.3 4,-1.2 1,-0.2 -2,-0.1 0.878 72.6 59.0 -65.5 -37.0 103.4 72.0 -51.6 142 149 A A H >< S+ 0 0 15 -24,-0.5 3,-0.6 -4,-0.5 -1,-0.2 0.929 108.9 42.3 -57.4 -50.7 103.8 68.9 -49.5 143 150 A R H 34 S+ 0 0 158 -26,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 111.0 57.0 -64.5 -37.3 106.2 67.2 -51.9 144 151 A A H 3< S- 0 0 9 -4,-1.7 -1,-0.2 -100,-0.1 -2,-0.2 0.736 134.3 -4.8 -65.4 -23.0 108.0 70.5 -52.4 145 152 A F S << S+ 0 0 60 -4,-1.2 2,-0.4 -3,-0.6 -3,-0.1 0.144 79.0 145.8-132.3-109.3 108.6 70.6 -48.6 146 153 A G 0 0 39 -5,-0.1 -3,-0.1 1,-0.1 -2,-0.0 -0.828 360.0 360.0 107.7-141.0 107.3 68.2 -46.0 147 154 A V 0 0 203 -2,-0.4 -1,-0.1 -5,-0.1 -5,-0.0 0.223 360.0 360.0 28.5 360.0 108.9 66.9 -42.8 148 ! 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 0.0 149 163 A V 0 0 196 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.6 98.3 70.8 -34.1 150 164 A V - 0 0 97 1,-0.1 2,-0.4 2,-0.0 -136,-0.0 -0.377 360.0-127.7 -60.3 126.3 98.3 68.9 -37.4 151 165 A T - 0 0 35 -2,-0.1 3,-0.2 1,-0.1 -1,-0.1 -0.658 25.7-178.1 -81.3 130.0 94.9 67.5 -38.2 152 166 A L > + 0 0 18 39,-0.5 3,-2.0 -2,-0.4 -1,-0.1 0.446 52.9 105.3-102.5 -2.1 95.1 63.7 -38.9 153 167 A W T 3 S+ 0 0 82 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.703 85.3 38.2 -53.8 -28.2 91.4 63.3 -39.7 154 168 A Y T 3 S+ 0 0 13 -3,-0.2 2,-0.3 -33,-0.1 -1,-0.3 0.244 84.6 126.5-110.0 11.1 91.8 63.0 -43.5 155 169 A R < - 0 0 39 -3,-2.0 -35,-0.1 1,-0.1 16,-0.1 -0.554 60.9-120.7 -76.2 131.0 95.0 61.0 -43.6 156 170 A A >> - 0 0 1 -2,-0.3 4,-1.6 14,-0.1 3,-0.9 -0.306 22.0-117.1 -66.1 150.1 94.8 57.7 -45.7 157 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.853 111.8 61.2 -60.3 -34.1 95.6 54.5 -43.8 158 172 A E H 34>S+ 0 0 5 1,-0.2 5,-2.6 2,-0.2 -3,-0.0 0.835 105.5 48.9 -63.9 -28.9 98.7 53.7 -45.8 159 173 A I H X45S+ 0 0 27 -3,-0.9 3,-1.5 3,-0.2 -1,-0.2 0.911 111.1 49.1 -73.4 -41.7 100.2 57.0 -44.6 160 174 A L H 3<5S+ 0 0 9 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.781 107.1 56.7 -66.7 -27.5 99.3 56.1 -41.0 161 175 A L T 3<5S- 0 0 0 -4,-2.1 60,-3.0 -5,-0.2 61,-0.4 0.320 124.0-103.4 -87.1 7.6 100.8 52.6 -41.4 162 176 A G T < 5 + 0 0 19 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.630 57.4 166.1 85.6 15.7 104.2 54.2 -42.4 163 177 A C < - 0 0 26 -5,-2.6 -1,-0.2 1,-0.2 3,-0.0 -0.442 23.8-157.2 -66.7 139.1 104.2 53.8 -46.2 164 178 A K S S+ 0 0 110 1,-0.1 2,-0.6 -2,-0.1 -1,-0.2 0.667 75.0 62.1 -90.6 -21.9 107.0 56.0 -47.6 165 179 A Y S S- 0 0 188 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.930 71.8-159.0-111.0 115.1 105.7 56.4 -51.1 166 180 A Y - 0 0 86 -2,-0.6 2,-0.3 -3,-0.0 -2,-0.0 -0.596 6.2-159.7 -89.7 155.2 102.3 58.1 -51.4 167 181 A S > - 0 0 46 -2,-0.2 3,-2.1 -48,-0.0 4,-0.3 -0.781 40.4 -91.8-125.1 172.5 100.2 57.6 -54.5 168 182 A T T >> S+ 0 0 57 1,-0.3 3,-1.3 -2,-0.3 4,-1.0 0.735 115.9 78.9 -54.5 -24.7 97.3 59.6 -55.9 169 183 A A H 3> S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.760 77.8 68.5 -58.2 -27.7 95.0 57.4 -53.8 170 184 A V H <> S+ 0 0 0 -3,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.865 99.8 49.6 -63.0 -29.0 95.8 59.3 -50.7 171 185 A D H <> S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.861 107.2 52.9 -76.7 -34.3 93.9 62.3 -52.1 172 186 A I H X S+ 0 0 1 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.904 108.9 51.4 -66.4 -40.9 90.9 60.2 -53.0 173 187 A W H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.960 110.8 47.1 -61.2 -51.5 90.8 58.9 -49.4 174 188 A S H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.921 112.1 50.1 -57.6 -43.3 90.9 62.4 -48.0 175 189 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.863 107.6 54.2 -65.2 -33.7 88.2 63.6 -50.4 176 190 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 76,-0.2 -1,-0.2 0.917 107.3 50.9 -64.7 -41.4 86.0 60.6 -49.4 177 191 A C H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 11,-0.4 0.893 112.0 47.5 -61.7 -36.7 86.3 61.7 -45.7 178 192 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.916 108.6 53.4 -72.1 -40.1 85.3 65.2 -46.7 179 193 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.942 110.2 48.7 -57.0 -48.9 82.3 64.0 -48.8 180 194 A A H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.896 110.6 50.8 -58.4 -42.4 81.1 62.0 -45.7 181 195 A E H X S+ 0 0 20 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.865 107.9 52.0 -65.9 -38.3 81.5 65.0 -43.4 182 196 A M H < S+ 0 0 2 -4,-2.4 -90,-0.5 2,-0.2 -1,-0.2 0.920 114.7 44.6 -64.6 -38.4 79.5 67.2 -45.8 183 197 A V H < S+ 0 0 18 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.943 125.1 28.0 -71.2 -49.4 76.7 64.6 -45.7 184 198 A T H < S- 0 0 42 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.675 95.6-129.7 -88.0 -20.2 76.5 63.8 -42.0 185 199 A R S < S+ 0 0 119 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.1 0.744 79.8 89.9 71.6 28.3 77.8 67.2 -40.7 186 200 A R S S- 0 0 191 -5,-0.3 -2,-0.3 -6,-0.3 -1,-0.2 -0.980 89.3 -96.9-148.9 142.0 80.3 65.4 -38.5 187 201 A A - 0 0 23 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.352 29.1-140.8 -59.6 140.7 83.9 64.5 -39.2 188 202 A L S S+ 0 0 26 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.928 90.9 12.8 -71.3 -45.4 84.1 60.8 -40.2 189 203 A F + 0 0 3 -36,-0.3 2,-2.0 2,-0.1 -1,-0.2 -0.659 68.7 178.4-134.5 76.3 87.3 59.9 -38.4 190 204 A P + 0 0 40 0, 0.0 2,-0.1 0, 0.0 7,-0.1 -0.388 17.3 174.8 -80.8 67.1 88.2 62.7 -35.9 191 205 A G - 0 0 3 -2,-2.0 -39,-0.5 1,-0.1 -38,-0.2 -0.361 25.4-160.5 -71.5 150.2 91.4 61.0 -34.4 192 206 A D S S+ 0 0 136 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.260 77.1 23.5-116.5 13.7 93.5 62.9 -31.9 193 207 A S S > S- 0 0 47 1,-0.1 4,-2.6 -41,-0.0 5,-0.2 -0.930 90.5-100.3-162.7 161.4 96.7 60.9 -32.3 194 208 A E H > S+ 0 0 116 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.910 123.9 43.9 -59.3 -41.7 98.0 58.7 -35.1 195 209 A I H > S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.870 112.8 50.8 -73.4 -34.0 97.0 55.5 -33.4 196 210 A D H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.893 111.7 50.2 -67.7 -37.4 93.5 56.9 -32.4 197 211 A Q H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.963 112.6 45.6 -63.5 -49.3 93.1 58.0 -36.1 198 212 A L H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 114.3 47.8 -59.2 -47.0 94.1 54.5 -37.3 199 213 A F H X S+ 0 0 35 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.826 107.1 56.1 -67.6 -29.6 91.8 52.7 -34.8 200 214 A R H X S+ 0 0 94 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.906 109.7 47.1 -66.9 -41.3 88.9 55.0 -35.6 201 215 A I H >X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 3,-0.8 0.962 113.1 48.8 -62.1 -48.8 89.2 54.0 -39.2 202 216 A F H 3X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.872 106.4 56.5 -58.9 -39.2 89.5 50.3 -38.2 203 217 A R H 3< S+ 0 0 96 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.784 118.2 33.2 -64.9 -26.2 86.4 50.5 -35.9 204 218 A T H << S+ 0 0 33 -4,-1.1 28,-2.5 -3,-0.8 -2,-0.2 0.871 130.9 28.5 -96.4 -45.9 84.3 51.7 -38.8 205 219 A L H < S- 0 0 6 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.481 114.7-103.3 -97.0 -2.2 85.7 49.9 -41.8 206 220 A G < - 0 0 6 -4,-1.9 24,-0.2 24,-0.4 -1,-0.2 0.196 44.3 -69.4 92.3 145.5 87.0 46.8 -40.1 207 221 A T - 0 0 18 22,-2.4 24,-0.1 -4,-0.1 21,-0.0 -0.539 63.9-116.7 -67.8 126.4 90.6 46.0 -39.2 208 222 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.284 37.7-179.8 -67.0 152.5 92.3 45.4 -42.5 209 223 A D > - 0 0 72 -3,-0.0 4,-2.5 7,-0.0 7,-0.2 -0.835 46.5 -85.9-139.1 179.3 93.7 42.0 -43.4 210 224 A E T 4 S+ 0 0 84 -2,-0.3 6,-0.0 1,-0.2 5,-0.0 0.726 120.2 61.5 -63.8 -22.1 95.5 40.3 -46.3 211 225 A V T 4 S+ 0 0 123 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.976 117.7 25.0 -69.3 -54.3 92.2 39.5 -48.0 212 226 A V T 4 S+ 0 0 67 1,-0.2 44,-0.5 -3,-0.1 -2,-0.2 0.754 137.5 30.5 -83.4 -22.8 91.0 43.0 -48.4 213 227 A W S >< S- 0 0 9 -4,-2.5 3,-2.5 42,-0.1 4,-0.3 -0.659 77.8-153.1-138.8 82.9 94.5 44.6 -48.4 214 228 A P T 3 S+ 0 0 71 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.301 85.2 18.9 -55.4 128.6 97.3 42.4 -49.8 215 229 A G T > S+ 0 0 33 41,-0.0 3,-1.8 4,-0.0 4,-0.2 0.254 85.7 119.4 94.0 -11.3 100.5 43.5 -48.2 216 230 A V G X + 0 0 0 -3,-2.5 3,-1.6 1,-0.3 6,-0.1 0.848 69.4 58.9 -57.7 -35.8 99.0 45.3 -45.2 217 231 A T G 3 S+ 0 0 61 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.590 103.4 54.1 -72.8 -5.9 100.7 43.1 -42.6 218 232 A S G < S+ 0 0 103 -3,-1.8 -1,-0.3 5,-0.0 -2,-0.2 0.282 79.3 124.3-106.6 7.3 104.1 44.0 -44.0 219 233 A M S X S- 0 0 31 -3,-1.6 3,-1.6 -4,-0.2 -57,-0.1 -0.381 75.0-109.5 -67.3 149.5 103.6 47.8 -43.7 220 234 A P T 3 S+ 0 0 62 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.855 114.2 29.7 -46.9 -47.4 106.3 49.6 -41.7 221 235 A D T 3 S+ 0 0 75 -60,-3.0 2,-0.2 2,-0.1 -59,-0.2 0.258 88.0 124.0-104.1 15.9 104.0 50.4 -38.7 222 236 A Y < - 0 0 31 -3,-1.6 -5,-0.0 -61,-0.4 3,-0.0 -0.541 41.5-165.0 -73.9 137.3 101.7 47.5 -38.9 223 237 A K > - 0 0 106 -2,-0.2 3,-2.2 1,-0.1 -2,-0.1 -0.991 24.5-142.5-126.5 131.0 101.5 45.5 -35.6 224 238 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.763 101.2 70.4 -60.3 -20.4 100.0 42.0 -35.3 225 239 A S T 3 + 0 0 103 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.451 67.8 124.3 -76.8 -0.6 98.7 43.2 -32.0 226 240 A F S < S- 0 0 13 -3,-2.2 -19,-0.0 1,-0.1 -4,-0.0 -0.362 72.7-108.0 -59.3 136.0 96.2 45.6 -33.6 227 241 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.328 29.6-124.9 -63.2 151.1 92.7 44.8 -32.2 228 242 A K - 0 0 163 -3,-0.1 2,-0.3 -22,-0.0 -25,-0.0 -0.859 32.0-177.4-105.9 105.4 90.5 43.1 -34.8 229 243 A W - 0 0 80 -2,-0.8 -22,-2.4 -27,-0.0 2,-0.2 -0.776 25.1-120.4-100.0 145.1 87.3 45.0 -35.3 230 244 A A - 0 0 76 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.550 36.5 -99.2 -81.4 150.1 84.5 43.9 -37.6 231 245 A R - 0 0 121 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.436 37.8-124.8 -70.3 138.5 83.4 46.2 -40.5 232 246 A Q - 0 0 67 -28,-2.5 2,-0.1 -2,-0.1 5,-0.1 -0.553 32.6 -92.7 -84.6 150.4 80.3 48.2 -39.8 233 247 A D >> - 0 0 103 -2,-0.2 3,-1.8 1,-0.2 4,-0.5 -0.423 34.8-133.7 -59.5 128.5 77.4 48.1 -42.1 234 248 A F H >> S+ 0 0 28 1,-0.3 4,-1.0 2,-0.2 3,-0.6 0.726 99.8 68.4 -60.8 -22.5 77.9 51.0 -44.5 235 249 A S H 34 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.641 98.4 53.4 -72.1 -13.3 74.3 52.3 -44.2 236 250 A K H <4 S+ 0 0 131 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.671 99.9 62.7 -93.1 -18.1 75.1 53.3 -40.6 237 251 A V H << S+ 0 0 25 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.909 118.9 13.5 -76.5 -45.3 78.2 55.4 -41.5 238 252 A V S >< S- 0 0 0 -4,-1.0 3,-2.5 3,-0.1 -1,-0.2 -0.254 91.6-158.1-128.3 50.2 76.7 58.1 -43.7 239 253 A P T 3 + 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.413 68.2 20.0 -68.1 149.8 72.9 58.0 -43.2 240 254 A P T 3 S+ 0 0 127 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 -0.723 86.9 125.0-104.4 42.4 70.7 59.0 -44.9 241 255 A L < - 0 0 8 -3,-2.5 -3,-0.1 1,-0.1 5,-0.0 -0.315 62.2-113.7 -58.2 139.2 72.9 59.1 -48.1 242 256 A D > - 0 0 59 1,-0.1 4,-2.7 -3,-0.1 3,-0.3 -0.158 29.1 -98.0 -71.4 167.4 71.4 57.2 -51.0 243 257 A E H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.780 122.7 57.0 -60.8 -29.5 73.0 54.0 -52.5 244 258 A D H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.948 112.3 43.1 -64.0 -45.9 74.6 55.9 -55.4 245 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.917 114.9 47.9 -63.9 -45.3 76.4 58.1 -52.8 246 260 A R H X S+ 0 0 68 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.885 110.3 53.5 -63.8 -39.5 77.3 55.2 -50.5 247 261 A S H X S+ 0 0 38 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.945 111.4 44.3 -60.5 -48.9 78.6 53.2 -53.5 248 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.941 114.0 50.4 -61.5 -45.7 80.9 56.0 -54.6 249 263 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.4 0.918 106.6 54.7 -59.8 -43.6 82.0 56.6 -51.0 250 264 A S H < S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.892 108.5 49.0 -59.0 -37.1 82.8 53.0 -50.5 251 265 A Q H >< S+ 0 0 65 -4,-1.7 10,-2.2 1,-0.2 3,-0.6 0.795 109.7 51.5 -73.4 -25.2 85.0 53.0 -53.5 252 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.4 -1,-0.2 0.702 112.6 47.3 -81.0 -19.1 86.8 56.1 -52.3 253 267 A L T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.122 74.4 138.2-109.5 18.8 87.5 54.5 -48.9 254 268 A H < - 0 0 67 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.416 53.9-134.9 -60.9 140.1 88.8 51.1 -50.1 255 269 A Y S S+ 0 0 15 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.947 87.8 75.3 -62.9 -49.9 91.8 50.1 -47.9 256 270 A D S >> S- 0 0 17 -44,-0.5 3,-1.8 1,-0.2 4,-1.5 -0.528 76.0-147.3 -68.5 116.0 94.0 49.0 -50.7 257 271 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.837 98.5 56.7 -52.0 -34.3 95.3 52.1 -52.4 258 272 A N T 34 S+ 0 0 151 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.698 108.4 44.2 -73.1 -20.8 95.3 50.2 -55.7 259 273 A K T <4 S+ 0 0 99 -3,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.632 88.8 108.7 -95.0 -18.6 91.6 49.3 -55.4 260 274 A R S < S- 0 0 14 -4,-1.5 -8,-0.2 -6,-0.2 -9,-0.1 -0.321 81.6-103.3 -60.4 138.4 90.6 52.8 -54.4 261 275 A I - 0 0 20 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.284 32.5-123.0 -65.3 147.0 88.8 54.5 -57.2 262 276 A S > - 0 0 60 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.478 20.7-114.6 -84.9 165.2 90.6 57.1 -59.3 263 277 A A H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -154,-0.1 0.941 118.1 51.2 -62.6 -46.7 89.4 60.7 -59.6 264 278 A K H > S+ 0 0 170 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.896 112.8 44.7 -57.0 -45.0 88.7 60.2 -63.4 265 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.883 109.1 56.5 -68.9 -37.4 86.7 57.0 -62.7 266 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 6,-0.2 0.855 97.3 63.1 -63.1 -33.7 84.8 58.6 -59.9 267 281 A L H 3< S+ 0 0 42 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.802 103.2 50.3 -60.3 -28.1 83.6 61.4 -62.2 268 282 A A T << S+ 0 0 82 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.460 83.1 122.8 -89.0 -3.5 81.8 58.7 -64.3 269 283 A H S X S- 0 0 17 -3,-1.5 3,-2.3 -4,-0.3 4,-0.1 -0.301 75.3-117.1 -62.7 140.6 80.1 57.2 -61.2 270 284 A P G > S+ 0 0 81 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.699 107.4 78.7 -51.4 -22.2 76.2 57.0 -61.5 271 285 A F G > S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.840 92.3 52.0 -56.4 -31.5 76.1 59.4 -58.4 272 286 A F G X S+ 0 0 11 -3,-2.3 3,-1.5 -6,-0.2 -1,-0.3 0.318 74.3 107.6 -90.9 11.3 76.9 62.2 -60.8 273 287 A Q G < S+ 0 0 160 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.871 92.2 29.9 -55.3 -39.2 74.1 61.4 -63.3 274 288 A D G < S+ 0 0 91 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.056 86.1 149.2-110.8 25.8 72.1 64.5 -62.1 275 289 A V < + 0 0 41 -3,-1.5 2,-0.2 -177,-0.1 -179,-0.1 -0.254 15.2 167.3 -62.7 145.0 74.9 66.8 -61.1 276 290 A T - 0 0 82 -181,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.759 39.2-109.6-141.4-176.0 74.3 70.5 -61.5 277 291 A K - 0 0 130 -2,-0.2 -181,-0.1 -178,-0.0 -144,-0.1 -0.726 37.6-172.9-128.6 82.5 76.0 73.7 -60.3 278 292 A P - 0 0 38 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.222 27.8-112.6 -70.6 165.4 73.9 75.4 -57.6 279 293 A V - 0 0 115 -147,-0.0 -148,-0.1 3,-0.0 -149,-0.1 -0.880 32.4-138.3 -98.0 119.8 74.7 78.9 -56.1 280 294 A P - 0 0 11 0, 0.0 2,-0.9 0, 0.0 -148,-0.1 -0.390 17.5-114.1 -76.3 161.4 75.6 78.6 -52.4 281 295 A H - 0 0 129 -2,-0.1 2,-0.5 2,-0.0 -151,-0.0 -0.853 42.6-176.9 -96.0 102.3 74.3 81.1 -49.9 282 296 A L - 0 0 25 -2,-0.9 2,-0.6 -152,-0.1 -152,-0.0 -0.916 18.2-164.0-108.6 126.6 77.5 82.9 -48.8 283 297 A R 0 0 196 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.947 360.0 360.0-105.8 114.2 77.5 85.5 -46.1 284 298 A L 0 0 148 -2,-0.6 -1,-0.1 -206,-0.0 -2,-0.0 0.678 360.0 360.0-110.5 360.0 80.8 87.4 -46.4