==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-AUG-10 2XNB . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.WANG,G.GRIFFITHS,C.A.MIDGLEY,A.L.BARNETT,M.COOPER,J.GRABAR . 296 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 60.5 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 . 41 13.9 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 . 1 0.3 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.7 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+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 4 0 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 . 1 1 1 0 1 2 0 1 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 66 0, 0.0 3,-1.3 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 171.3 40.0 30.3 38.5 2 2 A E T 3 + 0 0 135 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.556 360.0 69.8 -75.2 -10.9 39.7 30.5 42.2 3 3 A N T 3 S+ 0 0 53 21,-0.1 21,-2.3 20,-0.1 22,-0.5 0.532 96.0 65.1 -82.4 -4.1 37.5 33.5 41.9 4 4 A F E < -A 23 0A 17 -3,-1.3 2,-0.6 19,-0.2 19,-0.2 -0.959 64.0-154.9-133.7 129.1 34.7 31.2 40.5 5 5 A Q E -A 22 0A 116 17,-2.2 17,-2.5 -2,-0.4 2,-0.3 -0.945 26.9-129.2-101.5 120.6 32.7 28.4 41.9 6 6 A K E +A 21 0A 114 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.473 28.4 175.8 -70.4 121.7 31.4 26.0 39.2 7 7 A V E - 0 0 54 13,-3.3 2,-0.3 1,-0.3 14,-0.2 0.864 61.2 -24.8 -98.1 -33.3 27.7 25.4 39.6 8 8 A E E -A 20 0A 106 12,-1.9 12,-2.6 0, 0.0 2,-0.6 -0.980 57.2-101.9-174.2 152.6 27.1 23.1 36.5 9 9 A K E +A 19 0A 118 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.708 37.0 171.3 -77.0 122.4 28.3 22.1 33.1 10 10 A I E - 0 0 76 8,-2.3 2,-0.3 -2,-0.6 9,-0.2 0.414 54.1 -43.3-110.0 -1.7 26.1 23.8 30.5 11 11 A G E -A 18 0A 29 7,-1.1 7,-1.4 2,-0.0 2,-0.3 -0.997 49.4 -92.3 170.6 178.4 27.8 23.0 27.3 12 12 A E E -A 17 0A 69 -2,-0.3 5,-0.3 5,-0.2 4,-0.0 -0.988 13.8-157.1-128.0 135.3 30.9 22.6 25.1 13 13 A G E > -A 16 0A 1 3,-2.6 2,-3.0 -2,-0.3 3,-0.6 -0.072 47.1-113.2 -95.3 33.9 32.2 25.4 22.9 14 14 A T T 3 S+ 0 0 7 2,-0.3 144,-0.4 1,-0.3 145,-0.1 -0.198 118.1 40.1 59.8 -48.9 34.0 22.8 20.6 15 15 A Y T 3 S+ 0 0 18 -2,-3.0 -1,-0.3 138,-0.1 143,-0.3 0.911 126.4 29.4 -69.5 -64.9 37.3 24.2 21.8 16 16 A G E < S-A 13 0A 3 -3,-0.6 -3,-2.6 19,-0.1 2,-0.4 -0.173 72.2-119.2-101.2 168.6 36.2 24.6 25.4 17 17 A V E -AB 12 34A 20 17,-1.3 17,-2.2 -5,-0.3 2,-0.4 -0.944 32.7-148.0 -96.1 137.0 33.9 23.3 28.1 18 18 A V E -AB 11 33A 21 -7,-1.4 -8,-2.3 -2,-0.4 -7,-1.1 -0.917 15.8-174.4-110.8 132.2 31.4 25.9 29.4 19 19 A Y E -AB 9 32A 43 13,-2.6 13,-3.7 -2,-0.4 2,-0.4 -0.952 30.4-123.0-121.4 140.9 30.1 26.0 33.0 20 20 A K E +AB 8 31A 42 -12,-2.6 -13,-3.3 -2,-0.4 -12,-1.9 -0.675 49.8 173.9 -67.0 129.0 27.5 28.0 34.9 21 21 A A E -AB 6 30A 0 9,-2.3 9,-2.4 -2,-0.4 2,-0.5 -0.954 31.1-129.5-147.4 156.1 29.6 29.5 37.7 22 22 A R E -AB 5 29A 116 -17,-2.5 -17,-2.2 -2,-0.3 2,-0.7 -0.956 21.7-127.7-116.6 122.3 29.3 32.0 40.5 23 23 A N E > -A 4 0A 17 5,-3.5 4,-1.6 -2,-0.5 -19,-0.2 -0.627 17.7-151.5 -68.6 110.3 31.7 34.9 41.0 24 24 A K T 4 S+ 0 0 108 -21,-2.3 -1,-0.2 -2,-0.7 -20,-0.1 0.766 92.1 36.7 -59.2 -30.9 32.7 34.4 44.7 25 25 A L T 4 S+ 0 0 140 -22,-0.5 -1,-0.1 1,-0.1 -2,-0.1 0.946 126.8 30.9 -75.3 -69.0 33.4 38.1 45.1 26 26 A T T 4 S- 0 0 86 1,-0.1 2,-0.5 2,-0.1 -2,-0.2 0.265 90.0-136.1 -86.1 8.9 30.7 39.8 43.0 27 27 A G < + 0 0 43 -4,-1.6 -1,-0.1 1,-0.2 -3,-0.1 0.247 57.0 141.5 54.1 -18.7 28.0 37.2 43.4 28 28 A E - 0 0 115 -2,-0.5 -5,-3.5 -6,-0.1 2,-0.4 -0.229 49.1-137.2 -56.5 139.2 27.3 37.5 39.7 29 29 A V E +B 22 0A 30 -7,-0.2 52,-0.7 -3,-0.1 2,-0.3 -0.825 34.4 168.9 -95.3 141.5 26.4 34.2 38.0 30 30 A V E -BC 21 80A 4 -9,-2.4 -9,-2.3 -2,-0.4 2,-0.6 -0.891 41.9-102.7-146.3 161.2 28.2 33.9 34.6 31 31 A A E -BC 20 79A 12 48,-2.7 48,-2.9 -2,-0.3 2,-0.7 -0.930 38.5-156.2 -96.3 121.0 29.0 31.4 31.9 32 32 A L E -BC 19 78A 4 -13,-3.7 -13,-2.6 -2,-0.6 2,-0.6 -0.843 7.6-167.6-104.2 115.8 32.6 30.3 32.3 33 33 A K E -BC 18 77A 3 44,-2.9 44,-2.8 -2,-0.7 2,-0.7 -0.870 3.9-165.1-105.8 120.5 34.4 29.0 29.3 34 34 A K E -BC 17 76A 43 -17,-2.2 -17,-1.3 -2,-0.6 2,-0.3 -0.883 20.4-138.1-103.8 113.5 37.7 27.2 29.8 35 35 A I - 0 0 10 40,-2.4 40,-0.4 -2,-0.7 2,-0.4 -0.550 12.1-123.3 -85.3 127.7 39.5 26.9 26.4 36 36 A R - 0 0 116 -2,-0.3 2,-0.4 38,-0.1 -1,-0.1 -0.564 32.2-135.1 -64.1 119.4 41.2 23.7 25.6 37 37 A L - 0 0 13 -2,-0.4 6,-0.1 1,-0.1 -1,-0.0 -0.678 11.6-139.1 -87.2 128.6 44.8 24.7 24.9 38 38 A D - 0 0 97 -2,-0.4 -1,-0.1 4,-0.1 5,-0.1 0.660 38.7-132.9 -41.5 -19.6 46.6 23.3 21.8 39 39 A T 0 0 112 3,-0.4 4,-0.1 1,-0.1 -1,-0.1 0.810 360.0 360.0 55.6 39.3 49.3 23.2 24.5 40 40 A E 0 0 112 2,-0.5 -1,-0.1 4,-0.0 -3,-0.0 0.176 360.0 360.0-138.5 360.0 51.4 24.7 21.7 41 ! 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 42 43 A G 0 0 51 0, 0.0 -2,-0.5 0, 0.0 -3,-0.4 0.000 360.0 360.0 360.0-100.5 50.6 28.0 27.0 43 44 A V - 0 0 18 -4,-0.1 5,-0.1 -6,-0.1 -6,-0.0 -0.943 360.0-112.7-115.8 116.8 48.4 30.3 24.8 44 45 A P > - 0 0 40 0, 0.0 4,-0.8 0, 0.0 -5,-0.0 -0.091 22.6-134.8 -39.2 140.2 49.6 31.6 21.4 45 46 A S H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.821 104.1 61.6 -80.7 -32.1 50.0 35.3 21.7 46 47 A T H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.893 102.3 51.1 -47.5 -53.0 48.2 35.8 18.4 47 48 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.791 104.8 57.3 -61.9 -35.7 45.1 34.2 20.0 48 49 A I H X S+ 0 0 40 -4,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.910 109.1 43.1 -64.2 -45.6 45.2 36.5 23.0 49 50 A R H X S+ 0 0 153 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.738 111.9 56.4 -76.7 -20.6 45.0 39.7 20.9 50 51 A E H X S+ 0 0 52 -4,-1.4 4,-0.7 -5,-0.2 -2,-0.2 0.910 109.5 44.1 -74.0 -43.8 42.4 38.1 18.8 51 52 A I H >X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 3,-0.6 0.838 105.5 64.7 -65.2 -36.7 40.2 37.5 21.8 52 53 A S H >< S+ 0 0 59 -4,-1.9 3,-1.1 1,-0.2 4,-0.5 0.923 96.5 56.0 -48.9 -52.8 41.0 41.0 23.1 53 54 A L H >< S+ 0 0 108 -4,-1.3 3,-1.2 1,-0.2 4,-0.3 0.830 100.6 60.2 -51.9 -33.1 39.1 42.5 20.1 54 55 A L H X< S+ 0 0 12 -4,-0.7 3,-1.3 -3,-0.6 11,-0.3 0.809 90.9 66.9 -69.1 -27.9 36.0 40.5 21.1 55 56 A K T << S+ 0 0 92 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.678 105.1 45.5 -63.9 -20.2 35.8 42.2 24.4 56 57 A E T < S+ 0 0 151 -3,-1.2 2,-1.6 -4,-0.5 -1,-0.3 0.473 87.4 91.9 -99.6 -4.5 35.0 45.4 22.5 57 58 A L < + 0 0 16 -3,-1.3 2,-0.5 -4,-0.3 8,-0.1 -0.597 59.8 164.3 -95.0 78.4 32.5 43.8 20.1 58 59 A N + 0 0 59 -2,-1.6 5,-0.1 6,-0.1 -3,-0.0 -0.832 6.6 152.9-107.6 134.3 29.4 44.6 22.2 59 60 A H > - 0 0 40 -2,-0.5 3,-2.7 3,-0.4 54,-0.0 -0.994 54.1-112.8-156.6 143.1 25.8 44.5 21.0 60 61 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.752 121.7 45.2 -45.5 -24.9 22.4 43.9 22.6 61 62 A N T 3 S+ 0 0 9 80,-0.1 81,-3.4 48,-0.1 2,-0.4 0.046 98.5 82.3-111.9 13.5 22.3 40.6 20.5 62 63 A I B < S-e 142 0B 9 -3,-2.7 -3,-0.4 79,-0.3 2,-0.3 -0.997 90.1-111.1-114.1 127.5 25.8 39.4 21.2 63 64 A V - 0 0 12 79,-3.3 2,-0.1 -2,-0.4 81,-0.1 -0.437 43.8-111.4 -58.2 125.2 26.4 37.6 24.5 64 65 A K - 0 0 85 -2,-0.3 16,-2.3 1,-0.1 2,-0.7 -0.310 18.3-143.4 -74.8 117.6 28.5 39.9 26.5 65 66 A L E -D 79 0A 10 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.780 20.1-175.0 -72.3 113.1 32.1 38.8 27.1 66 67 A L E - 0 0 56 12,-3.6 2,-0.3 -2,-0.7 13,-0.2 0.950 57.9 -13.7 -88.2 -45.6 32.6 40.1 30.6 67 68 A D E -D 78 0A 94 11,-1.4 11,-2.4 2,-0.0 2,-0.5 -0.994 49.3-141.9-151.6 147.7 36.3 39.3 31.2 68 69 A V E -D 77 0A 35 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.969 21.0-160.5-105.0 132.2 39.2 37.3 29.6 69 70 A I E +D 76 0A 23 7,-2.9 7,-1.7 -2,-0.5 2,-0.9 -0.831 15.6 173.0-117.7 94.7 41.4 35.7 32.2 70 71 A H E +D 75 0A 83 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.828 23.3 148.5-101.0 98.8 44.8 34.7 30.9 71 72 A T E > -D 74 0A 57 3,-1.7 3,-1.9 -2,-0.9 -2,-0.1 -0.991 59.1 -27.0-144.5 137.5 46.6 33.6 34.0 72 73 A E T 3 S- 0 0 180 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.310 129.0 -21.5 51.1-129.0 49.3 31.1 34.6 73 74 A N T 3 S+ 0 0 78 -31,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.847 119.4 93.0 -58.3 -33.9 48.8 28.5 31.8 74 75 A K E < - D 0 71A 56 -3,-1.9 -3,-1.7 -32,-0.1 2,-0.4 -0.273 52.0-160.1-112.5 157.5 45.3 29.2 31.1 75 76 A L E + D 0 70A 1 -40,-0.4 -40,-2.4 -5,-0.2 2,-0.4 -0.948 19.9 174.5-123.2 112.7 42.6 31.1 29.1 76 77 A Y E -CD 34 69A 40 -7,-1.7 -7,-2.9 -2,-0.4 2,-0.4 -0.882 16.8-153.9-114.3 144.6 39.1 31.5 30.5 77 78 A L E -CD 33 68A 0 -44,-2.8 -44,-2.9 -2,-0.4 2,-0.6 -0.939 8.3-157.8-113.6 130.6 36.3 33.5 28.9 78 79 A V E +CD 32 67A 2 -11,-2.4 -12,-3.6 -2,-0.4 -11,-1.4 -0.969 16.3 179.9-116.3 112.8 33.6 34.9 31.3 79 80 A F E -CD 31 65A 22 -48,-2.9 -48,-2.7 -2,-0.6 -14,-0.2 -0.808 38.4 -95.2-103.8 152.5 30.3 35.7 29.7 80 81 A E E -C 30 0A 47 -16,-2.3 2,-0.3 -2,-0.3 -50,-0.2 -0.378 50.2-117.7 -48.0 147.2 27.0 37.0 31.0 81 82 A F - 0 0 35 -52,-0.7 2,-0.3 -51,-0.1 -52,-0.1 -0.742 28.0-168.3 -97.1 133.3 24.8 34.0 31.7 82 83 A L - 0 0 17 -2,-0.3 53,-0.2 53,-0.1 3,-0.1 -0.895 29.6-119.1-118.3 154.9 21.5 33.6 29.8 83 84 A H S S- 0 0 97 51,-0.5 2,-0.3 -2,-0.3 52,-0.1 0.650 77.5 -5.6 -86.8 -10.8 19.1 31.0 31.1 84 85 A Q E -F 134 0B 13 50,-0.8 50,-2.9 213,-0.1 -1,-0.1 -0.976 63.0-107.6-164.7 167.3 18.8 28.7 28.1 85 86 A D E > -F 133 0B 45 -2,-0.3 4,-1.2 48,-0.2 48,-0.2 -0.299 34.0-113.7 -93.8 166.7 19.7 28.1 24.4 86 87 A L H > S+ 0 0 0 46,-2.1 4,-2.7 43,-1.6 44,-0.2 0.829 113.3 66.2 -70.7 -32.1 17.4 28.2 21.5 87 88 A K H > S+ 0 0 67 42,-1.4 4,-2.5 45,-0.3 -1,-0.2 0.855 101.2 47.6 -54.8 -39.1 17.7 24.5 21.0 88 89 A K H > S+ 0 0 90 41,-0.2 4,-3.6 2,-0.2 -1,-0.2 0.918 111.9 49.2 -73.7 -35.9 15.9 23.8 24.3 89 90 A F H X S+ 0 0 9 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.893 111.8 49.5 -66.5 -40.0 13.1 26.3 23.5 90 91 A M H < S+ 0 0 22 -4,-2.7 3,-0.3 2,-0.2 -2,-0.2 0.940 113.1 46.5 -62.8 -54.1 12.8 24.6 20.1 91 92 A D H >< S+ 0 0 88 -4,-2.5 3,-1.7 1,-0.2 4,-0.2 0.980 114.9 46.7 -44.7 -57.8 12.6 21.2 21.8 92 93 A A H 3< S+ 0 0 74 -4,-3.6 3,-0.2 1,-0.3 -2,-0.2 0.681 116.4 46.8 -59.0 -22.3 10.1 22.6 24.4 93 94 A S T 3X S+ 0 0 20 -4,-1.2 4,-3.1 -3,-0.3 -1,-0.3 0.218 79.3 104.9-103.9 8.5 8.1 24.1 21.5 94 95 A A T <4 S+ 0 0 47 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.825 77.4 50.4 -70.8 -27.1 8.0 21.2 19.1 95 96 A L T 4 S+ 0 0 164 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.877 127.9 20.2 -81.3 -33.2 4.3 20.2 19.7 96 97 A T T 4 S- 0 0 125 -4,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.625 104.2-126.7-111.9 -26.5 2.8 23.6 19.2 97 98 A G < - 0 0 14 -4,-3.1 -3,-0.1 -7,-0.2 99,-0.1 0.340 31.8 -75.5 84.6 139.7 5.5 25.5 17.3 98 99 A I - 0 0 13 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.518 60.5-100.2 -68.8 134.9 7.0 28.8 18.2 99 100 A P >> - 0 0 80 0, 0.0 4,-2.2 0, 0.0 3,-1.6 -0.287 28.2-124.6 -59.0 141.9 4.6 31.6 17.4 100 101 A L H 3> S+ 0 0 65 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.834 109.6 57.5 -57.1 -37.7 5.5 33.2 14.1 101 102 A P H 3> S+ 0 0 65 0, 0.0 4,-1.2 0, 0.0 188,-0.4 0.796 110.2 46.6 -63.8 -27.1 5.7 36.8 15.6 102 103 A L H <> S+ 0 0 5 -3,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.836 108.7 53.2 -84.5 -33.6 8.4 35.3 17.9 103 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.932 112.5 47.2 -50.5 -48.9 10.2 33.6 15.1 104 105 A K H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.781 109.3 50.8 -68.0 -42.8 10.3 36.9 13.4 105 106 A S H X S+ 0 0 4 -4,-1.2 4,-2.7 -5,-0.2 -1,-0.2 0.907 113.5 46.5 -60.4 -46.1 11.5 38.9 16.4 106 107 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.934 114.0 47.4 -61.4 -50.2 14.3 36.4 16.9 107 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.960 114.1 48.7 -56.2 -49.3 15.3 36.4 13.2 108 109 A F H X S+ 0 0 45 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.936 110.9 48.5 -53.9 -58.1 15.2 40.1 13.2 109 110 A Q H X S+ 0 0 14 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.885 112.3 49.2 -51.0 -39.1 17.3 40.5 16.3 110 111 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 -1,-0.2 0.874 105.8 55.3 -75.2 -37.8 19.9 38.1 15.0 111 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.869 108.7 51.2 -59.2 -31.1 20.1 39.9 11.7 112 113 A Q H X S+ 0 0 70 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.953 110.8 47.2 -74.5 -45.5 20.9 43.0 13.8 113 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.920 116.1 44.2 -50.9 -53.5 23.6 41.1 15.6 114 115 A L H X S+ 0 0 0 -4,-3.4 4,-3.3 2,-0.2 5,-0.4 0.914 109.5 55.3 -64.4 -41.4 25.0 39.8 12.4 115 116 A A H X S+ 0 0 18 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.950 112.1 46.2 -59.2 -43.0 24.7 43.2 10.6 116 117 A F H X S+ 0 0 52 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.959 115.6 43.1 -63.1 -54.3 26.8 44.6 13.5 117 118 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-1.6 0.915 115.4 48.5 -49.9 -58.0 29.4 41.9 13.5 118 119 A H H ><5S+ 0 0 29 -4,-3.3 3,-1.5 1,-0.3 -1,-0.2 0.810 103.6 60.6 -62.3 -35.7 29.7 41.8 9.7 119 120 A S H 3<5S+ 0 0 70 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.628 108.2 46.9 -61.6 -18.3 30.1 45.6 9.6 120 121 A H T <<5S- 0 0 78 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.210 121.2-109.9-108.1 18.9 33.2 45.0 11.8 121 122 A R T < 5S+ 0 0 197 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.790 75.5 135.4 59.2 31.3 34.5 42.2 9.6 122 123 A V < - 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