==== 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 3R83 . 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) . 15529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 59.2 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 . 40 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.2 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 1 0 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 . 1 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 79 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.0 -94.1 103.7 -4.5 2 2 A E + 0 0 171 1,-0.2 3,-0.0 3,-0.1 22,-0.0 0.290 360.0 72.0 -93.8 8.9 -93.4 104.5 -8.1 3 3 A N S S+ 0 0 111 1,-0.1 21,-2.0 21,-0.0 22,-0.4 0.604 97.5 59.4 -92.5 -17.1 -91.9 107.8 -7.1 4 4 A F E S-A 23 0A 29 -3,-0.4 2,-0.6 19,-0.2 19,-0.2 -0.912 72.6-146.8-117.6 139.8 -89.0 105.8 -5.7 5 5 A Q E -A 22 0A 90 17,-2.3 17,-2.2 -2,-0.4 2,-0.3 -0.919 25.1-128.6-104.4 118.2 -86.6 103.4 -7.5 6 6 A K E +A 21 0A 119 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.519 27.7 177.9 -69.6 124.7 -85.5 100.6 -5.2 7 7 A V E - 0 0 69 13,-2.6 2,-0.3 1,-0.4 14,-0.2 0.879 60.3 -46.4 -90.2 -49.7 -81.7 100.3 -5.2 8 8 A E E -A 20 0A 123 12,-1.3 12,-3.3 0, 0.0 -1,-0.4 -0.969 60.7 -79.3-175.8 165.4 -81.4 97.4 -2.7 9 9 A K E -A 19 0A 103 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.607 29.0-171.8 -78.9 133.0 -82.5 96.1 0.7 10 10 A I E - 0 0 74 8,-2.6 2,-0.3 1,-0.3 9,-0.2 0.856 54.0 -80.2 -90.1 -43.4 -80.7 97.6 3.7 11 11 A G E -A 18 0A 27 7,-1.6 7,-2.4 0, 0.0 2,-0.5 -0.990 46.6 -64.0 169.7-166.4 -82.1 95.3 6.3 12 12 A E E -A 17 0A 88 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.963 45.6-166.5-117.6 119.8 -85.0 94.3 8.6 13 13 A G - 0 0 22 3,-2.2 143,-0.3 -2,-0.5 144,-0.2 -0.144 38.6 -90.1 -91.6-168.7 -86.1 96.7 11.3 14 14 A T S S+ 0 0 29 1,-0.2 142,-1.3 141,-0.1 143,-0.1 0.904 123.2 25.0 -69.9 -42.0 -88.4 96.3 14.3 15 15 A Y S S- 0 0 31 1,-0.2 21,-0.9 140,-0.2 2,-0.3 0.613 128.9 -30.3-100.7 -15.5 -91.6 97.3 12.5 16 16 A G S S- 0 0 4 19,-0.2 -3,-2.2 20,-0.0 -1,-0.2 -0.988 76.4 -52.2 178.0 178.8 -90.8 96.4 8.9 17 17 A V E -A 12 0A 16 -2,-0.3 17,-2.2 -5,-0.2 2,-0.4 -0.358 43.9-146.9 -72.8 151.9 -88.4 96.1 6.0 18 18 A V E -AB 11 33A 19 -7,-2.4 -8,-2.6 15,-0.2 -7,-1.6 -0.984 14.4-172.1-125.9 129.2 -86.0 98.9 5.0 19 19 A Y E -AB 9 32A 54 13,-2.6 13,-3.0 -2,-0.4 2,-0.5 -0.868 25.4-129.2-119.6 152.7 -84.8 99.7 1.5 20 20 A K E +AB 8 31A 45 -12,-3.3 -13,-2.6 -2,-0.3 -12,-1.3 -0.843 45.0 172.3 -92.8 134.0 -82.2 102.1 0.0 21 21 A A E -AB 6 30A 0 9,-2.5 9,-2.9 -2,-0.5 2,-0.5 -0.970 31.3-129.8-145.4 161.3 -84.1 104.1 -2.7 22 22 A R E -AB 5 29A 92 -17,-2.2 -17,-2.3 -2,-0.3 2,-1.0 -0.946 23.3-126.0-116.6 130.7 -83.7 107.0 -5.1 23 23 A N E > -A 4 0A 31 5,-3.6 4,-3.3 -2,-0.5 3,-0.4 -0.631 20.1-154.0 -74.0 105.2 -86.2 109.8 -5.5 24 24 A K T 4 S+ 0 0 120 -21,-2.0 -1,-0.2 -2,-1.0 -20,-0.1 0.682 90.1 45.4 -54.4 -22.1 -86.9 109.6 -9.3 25 25 A L T 4 S+ 0 0 163 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.799 127.7 22.1 -94.4 -33.3 -87.8 113.3 -9.4 26 26 A T T 4 S- 0 0 92 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.482 93.7-127.0-111.8 -6.9 -85.1 114.9 -7.3 27 27 A G < + 0 0 39 -4,-3.3 -3,-0.1 1,-0.2 2,-0.1 0.553 56.2 154.1 71.3 6.1 -82.4 112.2 -7.6 28 28 A E - 0 0 91 -5,-0.3 -5,-3.6 -6,-0.1 2,-0.5 -0.445 40.0-138.7 -69.6 137.1 -82.2 112.2 -3.8 29 29 A V E +B 22 0A 67 -7,-0.2 50,-0.6 -2,-0.1 2,-0.2 -0.876 36.6 160.8 -99.5 128.4 -80.9 108.9 -2.2 30 30 A V E -BC 21 78A 0 -9,-2.9 -9,-2.5 -2,-0.5 2,-0.5 -0.805 42.8-106.6-139.7 175.8 -82.9 107.9 0.9 31 31 A A E -BC 20 77A 16 46,-2.6 46,-3.0 -2,-0.2 2,-0.5 -0.949 31.8-158.9-109.3 128.9 -83.9 105.1 3.4 32 32 A L E -BC 19 76A 7 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.4 -0.942 6.8-167.7-115.4 118.6 -87.5 103.9 3.0 33 33 A K E -BC 18 75A 23 42,-2.7 42,-2.4 -2,-0.5 2,-0.4 -0.911 10.4-151.1-112.1 131.3 -89.1 102.1 5.9 34 34 A K E - C 0 74A 79 -17,-2.2 2,-0.4 -2,-0.4 40,-0.2 -0.818 19.2-150.4 -96.4 133.5 -92.4 100.2 5.8 35 35 A I E C 0 73A 13 38,-3.0 38,-1.0 -2,-0.4 -19,-0.2 -0.895 360.0 360.0-115.1 139.3 -94.4 100.1 9.1 36 36 A R 0 0 189 -21,-0.9 37,-0.2 -2,-0.4 -1,-0.1 0.854 360.0 360.0 -30.2 360.0 -96.7 97.5 10.5 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 79 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.3 -102.8 97.1 11.7 39 42 A E - 0 0 202 1,-0.0 32,-0.0 0, 0.0 0, 0.0 0.222 360.0 -26.2 -98.5 12.2 -106.2 97.4 10.1 40 43 A G S S- 0 0 16 31,-0.2 31,-0.2 30,-0.0 32,-0.1 0.363 98.9 -91.0 157.2 3.4 -105.5 100.9 8.9 41 44 A V - 0 0 16 30,-0.1 5,-0.1 32,-0.0 30,-0.1 0.793 49.8 -89.0 67.2 117.1 -102.9 102.4 11.3 42 45 A P > - 0 0 82 0, 0.0 4,-1.2 0, 0.0 3,-0.4 -0.235 26.2-137.4 -55.5 137.6 -104.1 104.4 14.4 43 46 A S H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.800 102.3 63.1 -67.5 -29.6 -104.7 108.1 13.8 44 47 A T H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 101.7 50.9 -63.1 -36.7 -103.0 108.9 17.1 45 48 A A H > S+ 0 0 4 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.872 106.6 54.8 -68.5 -37.9 -99.8 107.5 15.7 46 49 A I H X S+ 0 0 36 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.917 109.6 45.0 -63.0 -46.2 -99.9 109.6 12.5 47 50 A R H X S+ 0 0 151 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.929 114.6 49.5 -64.9 -43.8 -100.3 112.9 14.3 48 51 A E H < S+ 0 0 55 -4,-1.8 4,-0.5 1,-0.2 3,-0.3 0.925 113.9 44.2 -60.7 -47.7 -97.5 112.0 16.8 49 52 A I H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.873 106.9 60.0 -67.3 -37.5 -95.1 110.9 14.1 50 53 A S H >< S+ 0 0 39 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.823 95.9 61.9 -61.8 -30.6 -95.8 113.9 11.8 51 54 A L G >< S+ 0 0 105 -4,-1.3 3,-1.4 -3,-0.3 -1,-0.3 0.746 89.6 71.9 -66.4 -22.9 -94.7 116.3 14.5 52 55 A L G X S+ 0 0 25 -3,-1.3 3,-1.4 -4,-0.5 11,-0.3 0.628 74.7 81.5 -69.1 -13.2 -91.2 114.7 14.3 53 56 A K G < S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.1 0.658 93.2 49.1 -67.1 -12.8 -90.6 116.3 10.9 54 57 A E G < S+ 0 0 161 -3,-1.4 2,-1.7 -4,-0.1 -1,-0.3 0.424 81.6 98.2-104.5 -0.5 -89.7 119.5 12.8 55 58 A L < + 0 0 20 -3,-1.4 2,-0.4 -4,-0.1 8,-0.1 -0.533 57.6 165.1 -88.0 70.3 -87.2 117.8 15.2 56 59 A N + 0 0 72 -2,-1.7 5,-0.1 6,-0.1 -3,-0.0 -0.778 6.3 140.2-100.1 131.3 -84.1 118.8 13.2 57 60 A H > - 0 0 47 3,-0.4 3,-2.0 -2,-0.4 54,-0.0 -0.970 57.5-109.2-161.3 148.6 -80.5 118.6 14.5 58 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.730 118.2 46.1 -55.6 -24.3 -77.0 117.6 13.0 59 62 A N T 3 S+ 0 0 11 80,-0.1 81,-2.6 51,-0.1 2,-0.4 0.172 98.5 81.9-107.7 20.4 -76.9 114.4 15.2 60 63 A I B < S-e 140 0B 11 -3,-2.0 -3,-0.4 79,-0.3 2,-0.3 -0.992 86.9-115.0-124.3 126.7 -80.5 113.2 14.6 61 64 A V - 0 0 10 79,-2.3 2,-0.2 -2,-0.4 81,-0.2 -0.457 42.8-114.4 -62.8 122.6 -81.3 111.3 11.4 62 65 A K - 0 0 88 -2,-0.3 16,-2.0 -4,-0.1 2,-0.8 -0.382 14.9-141.0 -69.7 129.7 -83.7 113.5 9.4 63 66 A L E +D 77 0A 13 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.802 21.9 179.3 -88.3 110.1 -87.3 112.5 8.8 64 67 A L E - 0 0 47 12,-2.4 2,-0.3 -2,-0.8 13,-0.2 0.869 57.8 -12.7 -82.3 -40.2 -88.1 113.6 5.3 65 68 A D E -D 76 0A 76 11,-1.3 11,-2.6 2,-0.0 2,-0.4 -0.987 46.6-143.8-162.1 156.8 -91.8 112.5 4.9 66 69 A V E -D 75 0A 20 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.995 22.5-170.5-125.7 119.9 -94.5 110.4 6.4 67 70 A I E -D 74 0A 48 7,-2.7 7,-2.5 -2,-0.4 2,-0.6 -0.940 10.2-176.8-123.8 117.1 -96.9 108.6 3.9 68 71 A H E +D 73 0A 78 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.932 25.8 143.0-110.4 113.4 -100.1 106.8 4.9 69 72 A T E > +D 72 0A 54 3,-2.0 3,-2.2 -2,-0.6 -2,-0.1 -0.993 62.0 8.1-152.2 144.1 -101.8 105.1 1.9 70 73 A E T 3 S- 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.841 127.3 -65.1 53.7 34.3 -103.7 101.9 1.3 71 74 A N T 3 S+ 0 0 101 1,-0.2 2,-0.3 -31,-0.2 -1,-0.3 0.688 113.8 116.8 62.0 21.0 -103.6 101.5 5.1 72 75 A K E < - D 0 69A 101 -3,-2.2 -3,-2.0 -32,-0.1 2,-0.5 -0.864 57.1-139.3-116.1 152.0 -99.8 101.1 4.9 73 76 A L E -CD 35 68A 2 -38,-1.0 -38,-3.0 -2,-0.3 2,-0.4 -0.955 16.8-175.9-119.3 127.7 -97.3 103.4 6.6 74 77 A Y E -CD 34 67A 33 -7,-2.5 -7,-2.7 -2,-0.5 2,-0.5 -0.959 7.1-163.5-120.6 135.9 -94.0 104.6 4.9 75 78 A L E -CD 33 66A 0 -42,-2.4 -42,-2.7 -2,-0.4 2,-0.6 -0.979 8.2-153.6-119.3 128.7 -91.3 106.7 6.6 76 79 A V E -CD 32 65A 5 -11,-2.6 -12,-2.4 -2,-0.5 -11,-1.3 -0.919 21.5-179.6-105.6 122.2 -88.7 108.4 4.4 77 80 A F E -CD 31 63A 20 -46,-3.0 -46,-2.6 -2,-0.6 -14,-0.2 -0.819 35.7 -92.0-122.4 159.4 -85.4 109.1 6.1 78 81 A E E -C 30 0A 51 -16,-2.0 2,-0.4 -2,-0.3 -48,-0.2 -0.347 50.6-122.4 -59.4 145.9 -82.0 110.6 5.4 79 82 A F + 0 0 40 -50,-0.6 2,-0.3 -49,-0.1 -50,-0.1 -0.835 29.7 179.9-103.2 135.0 -79.5 107.9 4.2 80 83 A L - 0 0 18 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.969 29.1-129.2-128.3 146.2 -76.2 107.0 5.9 81 84 A H S S+ 0 0 102 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.664 79.0 20.0 -71.0 -21.4 -73.8 104.2 4.7 82 85 A Q E -F 132 0B 48 50,-1.2 50,-2.3 211,-0.0 2,-0.3 -0.969 59.7-137.5-149.2 159.2 -73.2 102.3 7.9 83 86 A D E > -F 131 0B 20 -2,-0.3 4,-1.7 48,-0.2 48,-0.2 -0.827 30.6-114.6-114.9 158.7 -74.5 101.5 11.4 84 87 A L H > S+ 0 0 0 46,-2.8 4,-2.6 43,-0.9 44,-0.2 0.779 110.7 61.1 -64.1 -29.1 -72.4 101.2 14.7 85 88 A K H > S+ 0 0 59 42,-0.8 4,-2.1 45,-0.2 -1,-0.2 0.950 108.6 42.5 -64.0 -47.0 -73.1 97.5 15.2 86 89 A K H > S+ 0 0 108 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.882 114.4 52.4 -65.4 -36.4 -71.5 96.6 11.9 87 90 A F H X S+ 0 0 7 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.903 108.7 49.5 -66.5 -41.8 -68.6 99.1 12.6 88 91 A M H < S+ 0 0 23 -4,-2.6 3,-0.3 2,-0.2 -1,-0.2 0.912 111.6 48.7 -64.2 -42.5 -68.0 97.5 16.1 89 92 A D H >< S+ 0 0 93 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.924 111.8 48.9 -63.0 -43.5 -67.9 94.0 14.6 90 93 A A H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.701 112.2 50.7 -68.1 -18.7 -65.5 95.1 11.9 91 94 A S T 3X S+ 0 0 6 -4,-1.0 4,-2.9 -3,-0.3 -1,-0.3 0.229 79.1 107.8-102.8 13.4 -63.4 96.8 14.6 92 95 A A T <4 S+ 0 0 51 -3,-1.5 -1,-0.1 1,-0.2 -2,-0.1 0.894 71.2 54.8 -57.4 -49.4 -63.2 93.7 16.8 93 96 A L T 4 S+ 0 0 173 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.855 130.0 10.9 -56.4 -41.3 -59.6 92.7 16.2 94 97 A T T 4 S- 0 0 110 -3,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.616 101.6-129.0-115.5 -18.2 -58.1 96.1 17.2 95 98 A G < - 0 0 9 -4,-2.9 -3,-0.1 -7,-0.2 99,-0.1 0.168 35.4 -64.9 83.1 154.4 -60.9 98.0 18.8 96 99 A I - 0 0 15 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.634 62.5-106.3 -76.1 128.3 -62.2 101.5 18.1 97 100 A P >> - 0 0 84 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.250 25.6-119.8 -55.9 141.2 -59.5 104.1 19.0 98 101 A L H 3> S+ 0 0 71 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.828 111.0 57.9 -53.9 -38.4 -60.3 106.1 22.2 99 102 A P H 3> S+ 0 0 72 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.868 110.5 44.5 -63.4 -31.0 -60.3 109.5 20.4 100 103 A L H <> S+ 0 0 7 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.867 110.7 52.6 -78.5 -37.3 -63.1 108.2 18.1 101 104 A I H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.939 112.3 47.8 -60.5 -45.2 -65.1 106.6 20.9 102 105 A K H X S+ 0 0 15 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.900 110.8 49.8 -62.4 -44.3 -64.9 109.9 22.7 103 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.919 111.9 48.6 -62.1 -43.6 -66.0 111.9 19.6 104 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.931 111.9 48.1 -64.0 -43.7 -68.9 109.6 19.0 105 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.919 110.8 52.0 -62.4 -42.7 -70.1 109.8 22.7 106 109 A F H X S+ 0 0 57 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.902 112.8 44.8 -58.7 -45.0 -69.8 113.6 22.6 107 110 A Q H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.879 111.7 52.0 -68.6 -40.1 -72.0 113.8 19.5 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.903 107.8 52.0 -64.8 -40.1 -74.6 111.3 20.8 109 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.858 106.9 54.4 -64.3 -34.2 -75.0 113.3 24.0 110 113 A Q H X S+ 0 0 65 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.903 107.9 49.4 -65.4 -40.0 -75.6 116.4 21.9 111 114 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.884 112.6 47.3 -65.4 -39.9 -78.4 114.6 20.0 112 115 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.926 108.8 53.6 -66.9 -46.0 -80.0 113.5 23.3 113 116 A A H X S+ 0 0 26 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.896 110.4 49.0 -56.4 -39.9 -79.7 117.0 24.9 114 117 A F H X S+ 0 0 43 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.969 115.2 40.9 -65.0 -53.9 -81.6 118.4 21.8 115 118 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 3,-1.3 0.929 114.3 52.5 -61.9 -45.0 -84.4 115.9 21.8 116 119 A H H ><5S+ 0 0 26 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.834 102.3 59.2 -61.0 -33.1 -84.8 115.9 25.6 117 120 A S H 3<5S+ 0 0 85 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.714 107.9 47.9 -68.4 -18.3 -85.1 119.7 25.6 118 121 A H T <<5S- 0 0 103 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.194 121.8-108.8-104.6 12.7 -88.1 119.3 23.4 119 122 A R T < 5S+ 0 0 225 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.820 76.4 130.5 65.2 34.8 -89.6 116.6 25.6 120 123 A V < - 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