==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAY-08 2VTN . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.WYATT,A.J.WOODHEAD,J.A.BOULSTRIDGE,V.BERDINI,M.G.CARR,D. . 274 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 65.0 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 . 39 14.2 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 . 1 0.4 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.4 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+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 2 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 0 3 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 97 0, 0.0 2,-2.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-138.7 14.5 6.2 74.0 2 2 A E + 0 0 135 2,-0.3 22,-0.1 1,-0.2 0, 0.0 -0.442 360.0 57.3 71.6 -74.8 14.1 5.6 77.8 3 3 A N S S+ 0 0 81 -2,-2.1 21,-0.9 1,-0.1 22,-0.5 0.009 106.7 64.1 -71.2 18.0 15.9 2.2 78.0 4 4 A F E S-A 23 0A 12 19,-0.2 2,-0.6 20,-0.1 -2,-0.3 -0.901 74.6-144.0-148.2 119.8 19.0 4.0 76.6 5 5 A Q E -A 22 0A 90 17,-2.2 17,-1.9 -2,-0.3 2,-0.3 -0.759 23.2-129.9 -86.3 118.4 21.0 6.9 78.1 6 6 A K E +A 21 0A 85 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.499 26.7 179.1 -65.5 120.0 22.2 9.3 75.5 7 7 A V E - 0 0 66 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.772 63.8 -27.8 -91.1 -33.8 25.9 9.8 76.0 8 8 A E E -A 20 0A 108 12,-1.9 12,-3.2 -3,-0.1 2,-0.4 -0.947 57.6 -99.6-173.5 158.6 26.3 12.2 73.1 9 9 A K E +A 19 0A 112 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.665 34.3 173.4 -77.3 126.6 25.2 13.5 69.8 10 10 A I E - 0 0 57 8,-2.8 2,-0.3 -2,-0.4 9,-0.2 0.320 59.9 -7.2-119.0 6.2 27.4 12.0 67.1 11 11 A G E -A 18 0A 22 7,-1.1 7,-3.1 2,-0.0 -1,-0.4 -0.877 46.2-131.0 170.3 155.8 25.6 13.2 64.0 12 12 A E - 0 0 121 -2,-0.3 5,-0.3 5,-0.3 4,-0.1 -0.646 45.0-166.3-119.9 71.2 22.6 14.8 62.4 13 13 A G > - 0 0 30 3,-0.5 3,-0.6 -2,-0.4 -2,-0.0 0.401 34.0 -97.9 -49.1-176.1 21.9 12.3 59.6 14 14 A T T 3 S+ 0 0 80 1,-0.2 2,-0.2 124,-0.1 3,-0.1 0.969 124.5 32.9 -70.3 -54.3 19.6 12.6 56.6 15 15 A Y T 3 S- 0 0 136 1,-0.1 21,-0.8 20,-0.0 -1,-0.2 -0.261 133.0 -51.8 -97.1 41.7 16.7 10.8 58.3 16 16 A G E < S- B 0 35A 11 -3,-0.6 -3,-0.5 19,-0.2 2,-0.3 -0.633 74.2 -40.8 128.1-176.2 17.4 12.1 61.8 17 17 A V E - B 0 34A 37 17,-0.6 17,-2.3 -5,-0.3 2,-0.4 -0.631 42.2-145.0 -93.5 145.9 19.9 12.5 64.7 18 18 A V E -AB 11 33A 26 -7,-3.1 -8,-2.8 -2,-0.3 -7,-1.1 -0.935 17.6-173.4-114.8 132.8 22.4 9.9 65.8 19 19 A Y E -AB 9 32A 43 13,-2.5 13,-3.4 -2,-0.4 2,-0.5 -0.943 27.0-131.3-123.4 143.2 23.5 9.4 69.4 20 20 A K E +AB 8 31A 44 -12,-3.2 -13,-3.0 -2,-0.4 -12,-1.9 -0.807 47.3 167.0 -78.1 136.2 26.0 7.4 71.2 21 21 A A E -AB 6 30A 0 9,-2.3 9,-2.7 -2,-0.5 2,-0.5 -0.975 33.4-128.8-151.1 165.6 24.0 5.8 73.9 22 22 A R E -AB 5 29A 99 -17,-1.9 -17,-2.2 -2,-0.3 2,-0.7 -0.944 22.3-125.3-125.7 127.8 24.3 3.1 76.5 23 23 A N E > -A 4 0A 10 5,-3.7 4,-1.6 -2,-0.5 -19,-0.2 -0.669 13.0-149.9 -68.2 121.2 21.7 0.3 77.0 24 24 A K T 4 S+ 0 0 117 -21,-0.9 -1,-0.1 -2,-0.7 -20,-0.1 0.793 94.1 37.1 -68.2 -26.3 20.6 0.4 80.7 25 25 A L T 4 S+ 0 0 122 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.0 0.871 123.1 33.9 -78.8 -90.0 20.0 -3.4 80.6 26 26 A T T 4 S- 0 0 84 1,-0.2 -2,-0.2 2,-0.0 3,-0.1 0.589 95.3-132.2 -33.9 -18.6 22.7 -5.0 78.4 27 27 A G < + 0 0 38 -4,-1.6 -1,-0.2 1,-0.2 -3,-0.1 0.216 58.3 152.8 68.9 -11.7 25.2 -2.4 79.6 28 28 A E - 0 0 67 -6,-0.2 -5,-3.7 1,-0.1 2,-0.4 -0.046 47.2-135.9 -64.2 145.0 25.9 -2.2 75.9 29 29 A V E +B 22 0A 53 -7,-0.2 46,-0.7 -3,-0.1 2,-0.3 -0.844 39.7 160.7 -97.7 126.8 27.2 0.9 74.0 30 30 A V E -BC 21 74A 0 -9,-2.7 -9,-2.3 -2,-0.4 2,-0.5 -0.877 44.7-107.0-137.4 172.6 25.3 1.4 70.7 31 31 A A E -BC 20 73A 11 42,-3.1 42,-3.5 -2,-0.3 2,-0.6 -0.943 34.6-160.3-107.1 123.7 24.5 4.0 68.1 32 32 A L E -BC 19 72A 0 -13,-3.4 -13,-2.5 -2,-0.5 2,-0.6 -0.943 4.7-167.2-109.8 116.4 20.9 5.2 68.4 33 33 A K E -BC 18 71A 8 38,-3.2 38,-2.5 -2,-0.6 2,-0.8 -0.894 9.2-152.5-103.8 124.7 19.2 6.8 65.4 34 34 A K E -BC 17 70A 38 -17,-2.3 -17,-0.6 -2,-0.6 36,-0.3 -0.828 21.3-135.1 -93.4 116.8 15.9 8.7 65.9 35 35 A I E BC 16 69A 27 34,-3.6 34,-0.6 -2,-0.8 -19,-0.2 -0.467 360.0 360.0 -78.6 143.3 14.0 8.6 62.6 36 36 A R 0 0 233 -21,-0.8 -19,-0.2 -2,-0.2 -2,-0.1 -0.680 360.0 360.0 66.5 360.0 12.3 11.8 61.4 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 94 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 143.3 4.3 3.9 57.4 39 46 A S H > + 0 0 64 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.659 360.0 60.1 -61.3 -19.4 3.9 0.2 57.7 40 47 A T H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.828 100.6 49.1 -82.4 -38.5 6.2 0.2 54.6 41 48 A A H > S+ 0 0 25 -3,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.851 112.6 53.9 -62.7 -32.0 9.0 2.0 56.3 42 49 A I H X S+ 0 0 41 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.871 109.2 44.7 -69.9 -39.4 8.5 -0.7 59.0 43 50 A R H X S+ 0 0 154 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.865 115.1 44.9 -80.7 -31.1 8.7 -3.6 56.6 44 51 A E H X S+ 0 0 128 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.914 112.7 51.9 -79.8 -41.0 11.8 -2.5 54.7 45 52 A I H X S+ 0 0 17 -4,-1.8 4,-0.9 -5,-0.3 3,-0.3 0.878 108.3 52.4 -53.6 -43.1 13.6 -1.5 57.9 46 53 A S H < S+ 0 0 43 -4,-1.4 3,-0.3 1,-0.2 4,-0.2 0.834 102.7 58.2 -71.9 -24.6 12.8 -5.0 59.3 47 54 A L H >X S+ 0 0 133 -4,-1.2 3,-1.2 1,-0.2 4,-0.5 0.834 99.4 60.6 -66.1 -30.5 14.3 -6.5 56.1 48 55 A L H >< S+ 0 0 48 -4,-1.2 3,-1.2 -3,-0.3 11,-0.3 0.834 89.8 68.7 -63.2 -37.4 17.5 -4.6 57.0 49 56 A K T 3< S+ 0 0 53 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.592 102.7 45.9 -61.3 -11.5 17.8 -6.5 60.3 50 57 A E T <4 S+ 0 0 128 -3,-1.2 2,-2.1 -4,-0.2 -1,-0.3 0.587 84.1 95.7-111.4 -8.6 18.6 -9.6 58.4 51 58 A L << + 0 0 15 -3,-1.2 2,-0.5 -4,-0.5 8,-0.2 -0.512 61.1 172.2 -79.5 79.3 21.1 -8.1 56.0 52 59 A N + 0 0 66 -2,-2.1 5,-0.1 6,-0.1 6,-0.1 -0.811 7.9 145.3-105.8 131.0 24.0 -9.2 58.1 53 60 A H > - 0 0 40 -2,-0.5 3,-2.2 3,-0.4 54,-0.0 -0.983 55.6-117.2-161.3 143.4 27.6 -8.9 57.0 54 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.660 118.9 47.4 -51.1 -27.3 31.0 -8.1 58.6 55 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.9 48,-0.1 2,-0.4 0.220 99.7 79.5-110.7 22.4 31.2 -5.0 56.4 56 63 A I B < S-e 136 0B 10 -3,-2.2 -3,-0.4 79,-0.3 2,-0.2 -0.984 90.8-111.4-124.8 125.5 27.7 -3.8 57.2 57 64 A V - 0 0 9 79,-2.7 2,-0.3 -2,-0.4 -2,-0.1 -0.438 43.5-112.4 -50.1 127.1 27.0 -1.9 60.5 58 65 A K - 0 0 113 -2,-0.2 16,-2.5 -4,-0.1 2,-0.7 -0.460 18.1-142.2 -73.8 124.0 24.9 -4.4 62.5 59 66 A L E -D 73 0A 9 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.771 21.3-175.4 -79.5 111.8 21.3 -3.2 63.1 60 67 A L E - 0 0 37 12,-4.1 2,-0.3 -2,-0.7 13,-0.2 0.915 57.6 -13.0 -79.2 -37.5 20.7 -4.4 66.6 61 68 A D E -D 72 0A 72 11,-1.3 11,-3.1 2,-0.0 2,-0.5 -0.976 48.9-140.0-168.3 143.2 17.1 -3.5 67.1 62 69 A V E -D 71 0A 34 -2,-0.3 2,-0.8 9,-0.2 9,-0.2 -0.995 21.1-161.8-113.2 114.5 14.2 -1.5 65.6 63 70 A I E +D 70 0A 41 7,-2.9 7,-1.9 -2,-0.5 2,-0.8 -0.884 12.2 178.5-102.5 98.8 12.2 0.2 68.2 64 71 A H E +D 69 0A 97 -2,-0.8 2,-0.3 5,-0.2 5,-0.2 -0.901 34.0 136.1 -90.8 108.6 8.8 1.3 66.9 65 72 A T E > +D 68 0A 60 3,-1.4 3,-5.1 -2,-0.8 -2,-0.1 -0.934 55.5 15.2-158.0 156.4 7.3 2.7 70.1 66 73 A E T 3 S- 0 0 164 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.769 128.2 -69.1 37.3 32.6 5.3 5.7 71.3 67 74 A N T 3 S+ 0 0 146 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.746 112.4 117.5 56.1 31.3 4.7 6.0 67.5 68 75 A K E < - D 0 65A 74 -3,-5.1 -3,-1.4 -32,-0.0 2,-0.5 -0.739 61.0-128.7-114.9 165.1 8.4 6.9 67.0 69 76 A L E +CD 35 64A 21 -34,-0.6 -34,-3.6 -2,-0.2 2,-0.4 -0.972 27.2 171.2-119.4 119.0 11.2 5.2 65.0 70 77 A Y E -CD 34 63A 15 -7,-1.9 -7,-2.9 -2,-0.5 2,-0.5 -0.995 16.4-156.9-119.7 134.5 14.6 4.4 66.6 71 78 A L E -CD 33 62A 11 -38,-2.5 -38,-3.2 -2,-0.4 2,-0.6 -0.894 8.1-152.3-106.3 128.3 17.3 2.3 65.0 72 79 A V E -CD 32 61A 0 -11,-3.1 -12,-4.1 -2,-0.5 -11,-1.3 -0.926 21.5-177.0-104.0 122.2 19.8 0.7 67.4 73 80 A F E -CD 31 59A 30 -42,-3.5 -42,-3.1 -2,-0.6 -14,-0.2 -0.812 36.6 -94.4-121.3 143.9 23.2 -0.0 65.8 74 81 A E E -C 30 0A 55 -16,-2.5 2,-0.4 -2,-0.3 -44,-0.2 -0.382 53.6-117.6 -35.6 127.6 26.5 -1.6 66.6 75 82 A F - 0 0 32 -46,-0.7 2,-0.4 -2,-0.1 -1,-0.1 -0.683 32.4-174.7 -82.6 129.5 28.7 1.4 67.8 76 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.963 22.6-136.1-117.8 153.2 31.8 2.3 65.8 77 84 A H S S+ 0 0 101 -2,-0.4 2,-0.3 51,-0.3 52,-0.1 0.619 75.0 19.1 -87.9 -19.7 34.2 4.9 67.0 78 85 A Q E -F 128 0B 41 50,-1.2 50,-3.3 198,-0.1 2,-0.2 -0.994 60.6-136.5-151.1 146.9 35.0 6.9 63.8 79 86 A D E > -F 127 0B 21 -2,-0.3 4,-1.3 48,-0.2 48,-0.2 -0.656 31.5-113.5 -95.7 162.0 33.8 7.6 60.3 80 87 A L H > S+ 0 0 0 46,-2.4 4,-1.6 43,-0.9 44,-0.2 0.708 111.8 59.2 -69.3 -21.3 35.9 7.7 57.1 81 88 A K H > S+ 0 0 92 42,-0.6 4,-2.1 45,-0.3 -1,-0.2 0.955 108.5 43.4 -70.4 -50.9 35.4 11.5 56.6 82 89 A K H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.803 113.8 53.2 -61.9 -28.4 36.8 12.4 59.9 83 90 A F H X S+ 0 0 5 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.825 109.0 49.6 -77.1 -33.5 39.7 9.9 59.3 84 91 A M H < S+ 0 0 21 -4,-1.6 3,-0.3 2,-0.2 -2,-0.2 0.875 111.7 46.0 -66.8 -45.9 40.4 11.6 56.0 85 92 A D H >< S+ 0 0 110 -4,-2.1 3,-1.2 1,-0.2 4,-0.2 0.930 114.2 51.2 -66.3 -40.9 40.5 15.1 57.4 86 93 A A H 3< S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.672 115.2 41.4 -62.0 -24.7 42.7 13.6 60.2 87 94 A S T 3X S+ 0 0 10 -4,-0.6 4,-3.0 -3,-0.3 3,-0.2 0.200 79.8 112.7-108.3 6.8 45.0 11.9 57.6 88 95 A A T <4 + 0 0 45 -3,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.751 67.4 62.0 -58.7 -32.9 45.2 14.9 55.1 89 96 A L T 4 S+ 0 0 161 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.949 128.4 6.0 -60.8 -55.9 48.9 15.7 55.7 90 97 A T T 4 S- 0 0 121 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.634 105.1-129.8-100.1 -18.7 50.4 12.4 54.5 91 98 A G < - 0 0 10 -4,-3.0 -3,-0.1 -7,-0.1 84,-0.1 0.121 39.4 -55.0 83.4 153.4 47.2 10.7 53.2 92 99 A I - 0 0 12 82,-0.5 5,-0.1 1,-0.1 85,-0.1 -0.538 67.8-106.2 -58.9 123.0 45.9 7.3 54.0 93 100 A P >> - 0 0 72 0, 0.0 4,-2.1 0, 0.0 3,-1.3 -0.305 28.6-118.8 -48.0 137.5 48.6 4.7 53.1 94 101 A L H 3> S+ 0 0 66 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.769 113.1 56.9 -56.0 -34.4 47.7 2.9 49.9 95 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 173,-0.3 0.907 110.5 46.7 -70.1 -24.7 47.6 -0.5 51.6 96 103 A L H <> S+ 0 0 7 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.916 111.5 49.7 -75.1 -41.8 45.0 1.0 53.9 97 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.917 113.0 48.7 -60.7 -42.1 43.1 2.5 51.0 98 105 A K H X S+ 0 0 12 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.889 110.3 48.8 -71.3 -35.7 43.1 -0.8 49.2 99 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.924 113.0 49.4 -67.5 -43.5 41.9 -2.8 52.3 100 107 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.942 112.6 45.7 -59.5 -54.2 39.1 -0.3 52.8 101 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.911 111.9 52.3 -53.2 -49.1 38.0 -0.4 49.2 102 109 A F H X S+ 0 0 57 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.863 112.0 45.5 -58.0 -38.1 38.2 -4.3 49.1 103 110 A Q H X S+ 0 0 10 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.881 111.9 50.4 -76.7 -42.0 36.0 -4.6 52.2 104 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.934 108.5 53.4 -59.4 -47.9 33.4 -2.1 51.0 105 112 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.875 108.5 51.6 -49.0 -37.2 33.3 -4.0 47.7 106 113 A Q H X S+ 0 0 67 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.967 109.9 46.8 -68.1 -49.9 32.6 -7.1 49.9 107 114 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.914 115.8 46.2 -50.7 -52.9 29.7 -5.4 51.7 108 115 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.917 108.2 55.4 -63.0 -41.2 28.3 -4.1 48.4 109 116 A A H X S+ 0 0 24 -4,-2.8 4,-1.3 -5,-0.3 -2,-0.2 0.961 112.2 46.6 -55.7 -43.9 28.8 -7.6 46.8 110 117 A F H X S+ 0 0 46 -4,-2.8 4,-1.1 2,-0.2 3,-0.3 0.940 114.8 42.4 -56.4 -61.1 26.6 -8.9 49.7 111 118 A C H ><>S+ 0 0 0 -4,-2.7 5,-3.2 1,-0.2 3,-0.6 0.905 114.7 51.0 -53.8 -52.5 23.9 -6.3 49.6 112 119 A H H ><5S+ 0 0 30 -4,-2.7 3,-1.4 3,-0.3 -1,-0.2 0.743 103.1 58.2 -62.0 -31.0 23.6 -6.3 45.8 113 120 A S H 3<5S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.794 109.8 46.6 -75.2 -17.9 23.3 -10.1 45.7 114 121 A H T <<5S- 0 0 80 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.116 123.0-110.1-101.9 19.7 20.3 -9.6 47.9 115 122 A R T < 5S+ 0 0 198 -3,-1.4 2,-0.5 1,-0.2 -3,-0.3 0.732 73.4 139.4 63.6 20.6 19.0 -6.8 45.6 116 123 A V < - 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