==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN KINASE 11-MAY-00 1E1X . COMPND 2 MOLECULE: CYCLIN-DEPENDENT PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.ENDICOTT,M.E.M.NOBLE,L.N.JOHNSON . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.8 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 13.8 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 . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.6 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 2 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 2 1 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 44 0, 0.0 3,-2.0 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -13.2 -13.0 29.6 -2.9 2 2 A E T 3 + 0 0 143 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.708 360.0 67.9 -70.4 -18.3 -13.1 30.0 -6.7 3 3 A N T 3 S+ 0 0 87 20,-0.1 21,-3.1 21,-0.1 2,-0.3 0.581 97.7 73.1 -74.0 -10.4 -10.8 33.0 -6.3 4 4 A F E < -A 23 0A 21 -3,-2.0 2,-0.5 19,-0.2 19,-0.2 -0.799 57.8-160.1-116.0 161.5 -8.0 30.5 -5.2 5 5 A Q E -A 22 0A 123 17,-2.0 17,-2.8 -2,-0.3 2,-0.4 -0.970 25.2-139.9-127.1 108.8 -5.7 27.9 -6.5 6 6 A K E -A 21 0A 92 -2,-0.5 15,-0.3 15,-0.3 3,-0.1 -0.627 19.6-178.0 -74.9 124.7 -4.4 25.6 -3.9 7 7 A V E - 0 0 83 13,-2.5 2,-0.3 1,-0.4 14,-0.2 0.741 64.3 -16.9 -87.8 -46.8 -0.7 24.8 -4.4 8 8 A E E -A 20 0A 110 12,-1.5 12,-3.8 3,-0.0 2,-0.9 -0.959 62.6-105.3-165.5 152.2 -0.2 22.4 -1.6 9 9 A K E -A 19 0A 98 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.775 32.9-163.2 -77.0 102.8 -1.7 21.2 1.7 10 10 A I E - 0 0 67 8,-1.4 2,-0.3 -2,-0.9 9,-0.2 0.935 50.7 -77.1 -63.4 -48.7 0.6 22.8 4.1 11 11 A G E -A 18 0A 31 7,-1.4 7,-3.1 -3,-0.1 2,-0.5 -0.935 53.6 -64.3 178.1-160.4 -0.4 20.6 7.0 12 12 A E E -A 17 0A 78 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.961 45.8-171.7-119.9 115.9 -3.2 20.1 9.6 13 13 A G E > -A 16 0A 22 3,-3.3 139,-0.5 -2,-0.5 3,-0.5 -0.414 46.2 -82.0 -93.4-170.7 -3.8 22.8 12.1 14 14 A T T 3 S+ 0 0 14 1,-0.2 138,-0.1 -2,-0.2 3,-0.1 0.856 127.1 35.1 -56.5 -44.3 -6.1 22.7 15.1 15 15 A Y T 3 S- 0 0 30 1,-0.2 2,-0.3 136,-0.1 -1,-0.2 0.435 126.0 -56.8 -94.7 -11.8 -9.3 23.5 13.1 16 16 A G E < S-A 13 0A 5 -3,-0.5 -3,-3.3 19,-0.2 -1,-0.2 -0.954 81.9 -23.6 163.0-169.2 -8.7 21.8 9.8 17 17 A V E -A 12 0A 3 -2,-0.3 17,-1.9 -5,-0.3 2,-0.5 -0.362 51.5-147.0 -67.3 138.7 -6.4 21.5 6.9 18 18 A V E -AB 11 33A 20 -7,-3.1 -7,-1.4 15,-0.2 -8,-1.4 -0.976 19.6-166.6-109.1 136.3 -4.1 24.5 6.2 19 19 A Y E -AB 9 32A 51 13,-3.2 13,-2.9 -2,-0.5 2,-0.5 -0.890 24.9-131.2-125.1 153.4 -3.3 25.1 2.5 20 20 A K E +AB 8 31A 48 -12,-3.8 -13,-2.5 -2,-0.3 -12,-1.5 -0.901 44.5 175.0 -91.1 128.6 -0.8 27.1 0.6 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.8 -2,-0.5 2,-0.5 -0.947 28.4-137.8-138.2 162.2 -2.9 28.9 -2.0 22 22 A R E -AB 5 29A 123 -17,-2.8 -17,-2.0 -2,-0.3 2,-0.5 -0.971 24.5-121.6-123.8 128.7 -2.6 31.6 -4.7 23 23 A N E > -A 4 0A 30 5,-3.4 4,-2.1 -2,-0.5 -19,-0.2 -0.495 19.3-142.6 -69.6 122.3 -5.1 34.4 -5.3 24 24 A K T 4 S+ 0 0 120 -21,-3.1 -1,-0.1 -2,-0.5 -20,-0.1 0.721 93.4 33.0 -56.2 -29.7 -6.3 34.0 -8.9 25 25 A L T 4 S+ 0 0 151 -22,-0.3 -1,-0.2 3,-0.0 -21,-0.1 0.858 130.7 27.2 -95.9 -50.2 -6.5 37.8 -9.6 26 26 A T T 4 S- 0 0 89 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.696 92.4-134.3 -88.2 -24.9 -3.8 39.4 -7.6 27 27 A G < + 0 0 22 -4,-2.1 -3,-0.1 1,-0.2 0, 0.0 0.585 48.5 157.3 80.6 4.5 -1.5 36.3 -7.6 28 28 A E - 0 0 103 -6,-0.1 -5,-3.4 -5,-0.1 2,-0.5 -0.242 40.3-131.0 -60.8 143.0 -0.9 36.8 -3.8 29 29 A V E +B 22 0A 41 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.868 36.6 168.1-101.8 130.1 0.2 33.7 -2.0 30 30 A V E -BC 21 74A 1 -9,-2.8 -9,-2.6 -2,-0.5 2,-0.5 -0.871 38.3-117.2-136.9 164.0 -1.7 33.0 1.2 31 31 A A E -BC 20 73A 10 42,-2.8 42,-2.9 -2,-0.3 2,-0.5 -0.989 32.2-157.4-105.7 134.5 -2.3 30.3 3.7 32 32 A L E -BC 19 72A 1 -13,-2.9 -13,-3.2 -2,-0.5 2,-0.6 -0.971 3.7-160.4-118.6 126.8 -5.9 29.2 3.7 33 33 A K E -BC 18 71A 25 38,-2.9 38,-2.5 -2,-0.5 2,-0.3 -0.928 6.4-151.9-107.4 120.9 -7.4 27.5 6.7 34 34 A K E C 0 70A 72 -17,-1.9 36,-0.2 -2,-0.6 -19,-0.0 -0.627 360.0 360.0 -84.8 133.7 -10.5 25.4 6.3 35 35 A I 0 0 59 34,-2.1 34,-0.5 -2,-0.3 -19,-0.2 -0.829 360.0 360.0-105.8 360.0 -12.5 25.5 9.6 36 ! 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 37 44 A V 0 0 53 0, 0.0 5,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 142.7 -21.1 29.0 11.3 38 45 A P >> - 0 0 94 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.135 360.0-116.4 -55.6 144.1 -23.0 30.2 14.3 39 46 A S H 3> S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.877 107.9 63.4 -56.7 -40.6 -23.3 34.0 14.2 40 47 A T H 3> S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.882 102.7 47.4 -50.9 -44.1 -21.2 34.6 17.3 41 48 A A H <> S+ 0 0 4 -3,-0.6 4,-2.8 1,-0.2 5,-0.3 0.892 110.3 53.6 -72.1 -34.6 -18.0 33.1 15.9 42 49 A I H X S+ 0 0 39 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.914 109.7 47.1 -68.2 -48.3 -18.4 35.1 12.7 43 50 A R H X S+ 0 0 151 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.976 115.5 46.5 -57.8 -52.5 -18.7 38.4 14.7 44 51 A E H X S+ 0 0 47 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.870 113.8 45.4 -54.1 -52.5 -15.6 37.5 16.8 45 52 A I H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 3,-0.4 0.879 109.9 56.7 -57.5 -44.7 -13.4 36.3 14.0 46 53 A S H >< S+ 0 0 37 -4,-2.1 3,-1.1 -5,-0.3 4,-0.3 0.908 103.5 53.8 -58.0 -34.1 -14.4 39.4 12.0 47 54 A L H >< S+ 0 0 105 -4,-1.9 3,-1.4 1,-0.3 4,-0.3 0.803 98.8 63.7 -69.7 -25.0 -13.2 41.6 14.9 48 55 A L H >< S+ 0 0 14 -4,-1.2 3,-1.3 -3,-0.4 11,-0.3 0.792 86.0 73.7 -73.0 -17.0 -9.8 39.8 14.7 49 56 A K T << S+ 0 0 80 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.704 96.5 50.1 -64.7 -22.4 -9.4 41.3 11.1 50 57 A E T < S+ 0 0 166 -3,-1.4 2,-1.7 -4,-0.3 -1,-0.3 0.545 84.7 94.4 -90.3 -4.2 -8.7 44.6 12.8 51 58 A L < + 0 0 19 -3,-1.3 2,-0.5 -4,-0.3 8,-0.2 -0.539 57.0 166.4 -89.5 75.1 -6.1 43.3 15.3 52 59 A N + 0 0 77 -2,-1.7 5,-0.1 6,-0.1 6,-0.0 -0.777 6.4 147.2 -98.2 138.0 -3.0 44.0 13.2 53 60 A H > - 0 0 41 -2,-0.5 3,-2.3 3,-0.4 54,-0.1 -0.987 54.4-113.7-162.1 147.1 0.6 44.0 14.5 54 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.703 118.3 48.4 -59.1 -23.5 3.9 43.1 13.0 55 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.3 78,-0.1 2,-0.4 0.281 98.0 82.7-107.3 16.9 4.3 40.1 15.2 56 63 A I B < S-e 136 0B 11 -3,-2.3 -3,-0.4 79,-0.3 2,-0.2 -0.990 87.6-116.9-114.5 126.4 0.7 38.8 14.5 57 64 A V - 0 0 9 79,-2.6 2,-0.2 -2,-0.4 82,-0.1 -0.415 43.3-113.5 -56.8 124.2 0.0 36.7 11.4 58 65 A K - 0 0 85 -2,-0.2 16,-2.2 -4,-0.1 2,-0.8 -0.392 14.6-141.9 -70.3 127.4 -2.4 38.9 9.5 59 66 A L E -D 73 0A 9 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.811 24.7-179.0 -79.1 113.2 -5.9 37.6 9.0 60 67 A L E - 0 0 35 12,-3.1 2,-0.3 -2,-0.8 -1,-0.2 0.947 55.6 -11.2 -79.7 -53.9 -6.5 38.9 5.4 61 68 A D E -D 72 0A 89 11,-1.4 11,-3.2 2,-0.0 2,-0.5 -0.969 48.4-137.5-150.4 160.4 -10.0 37.7 4.9 62 69 A V E -D 71 0A 30 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.985 22.8-167.9-119.6 116.6 -12.9 35.6 6.2 63 70 A I E -D 70 0A 37 7,-2.7 7,-3.4 -2,-0.5 2,-0.5 -0.980 6.9-179.9-110.7 119.9 -14.7 33.6 3.6 64 71 A H E +D 69 0A 88 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.969 13.7 158.4-122.5 112.3 -18.0 31.9 4.5 65 72 A T E > -D 68 0A 56 3,-2.4 3,-1.1 -2,-0.5 -2,-0.1 -0.997 66.0 -12.1-139.8 127.2 -19.7 30.0 1.7 66 73 A E T 3 S- 0 0 159 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.826 126.9 -50.9 52.3 51.3 -22.2 27.2 2.1 67 74 A N T 3 S+ 0 0 155 1,-0.2 2,-0.4 -30,-0.1 -1,-0.3 0.834 116.7 117.6 60.5 22.9 -21.8 26.6 5.8 68 75 A K E < - D 0 65A 91 -3,-1.1 -3,-2.4 -31,-0.1 2,-0.4 -0.993 51.0-157.2-124.7 133.3 -18.0 26.4 5.2 69 76 A L E - D 0 64A 5 -34,-0.5 -34,-2.1 -2,-0.4 2,-0.4 -0.973 9.0-175.5-114.7 125.3 -15.6 28.9 6.8 70 77 A Y E -CD 34 63A 16 -7,-3.4 -7,-2.7 -2,-0.4 2,-0.5 -0.983 11.8-153.2-120.6 130.2 -12.2 29.6 5.2 71 78 A L E -CD 33 62A 0 -38,-2.5 -38,-2.9 -2,-0.4 2,-0.6 -0.921 8.0-152.8-103.1 132.5 -9.7 32.0 7.0 72 79 A V E +CD 32 61A 5 -11,-3.2 -12,-3.1 -2,-0.5 -11,-1.4 -0.940 21.3 176.6-106.8 113.2 -7.2 33.7 4.7 73 80 A F E -CD 31 59A 10 -42,-2.9 -42,-2.8 -2,-0.6 -14,-0.2 -0.901 38.7 -88.0-116.3 165.0 -4.0 34.6 6.4 74 81 A E E -C 30 0A 51 -16,-2.2 2,-0.5 -2,-0.3 -44,-0.2 -0.154 49.6-119.8 -54.7 137.7 -0.7 36.1 5.4 75 82 A F - 0 0 43 -46,-0.6 2,-0.2 -45,-0.0 -1,-0.1 -0.852 29.5-170.3 -92.0 130.8 1.7 33.4 4.2 76 83 A L - 0 0 12 -2,-0.5 53,-0.2 53,-0.1 3,-0.1 -0.604 25.1-122.6-109.0 173.0 5.0 33.0 6.2 77 84 A H S S+ 0 0 98 51,-0.9 2,-0.3 1,-0.2 52,-0.2 0.748 79.3 5.7-100.3 -11.1 7.8 30.8 5.1 78 85 A Q E -F 128 0B 24 50,-1.4 50,-3.6 211,-0.0 2,-0.3 -0.964 63.4-126.9-158.0 150.5 8.4 28.4 7.9 79 86 A D E > -F 127 0B 31 -2,-0.3 4,-2.3 48,-0.2 48,-0.2 -0.649 30.5-114.8 -94.7 160.6 6.9 27.4 11.2 80 87 A L H > S+ 0 0 0 46,-2.6 4,-3.3 43,-0.9 5,-0.3 0.833 112.4 57.3 -64.7 -31.2 9.0 27.3 14.4 81 88 A K H > S+ 0 0 29 42,-0.7 4,-2.7 45,-0.3 -1,-0.2 0.964 109.6 45.4 -66.9 -45.2 8.7 23.6 14.9 82 89 A K H > S+ 0 0 129 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.928 114.0 50.5 -57.6 -47.4 10.2 22.9 11.5 83 90 A F H X S+ 0 0 2 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.935 111.9 45.7 -61.5 -42.8 12.9 25.5 12.2 84 91 A M H < S+ 0 0 21 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.909 112.3 51.9 -67.3 -38.2 13.8 24.0 15.6 85 92 A D H >< S+ 0 0 109 -4,-2.7 3,-1.7 -5,-0.3 4,-0.2 0.976 112.3 46.1 -60.4 -46.5 13.8 20.5 14.0 86 93 A A H 3< S+ 0 0 82 -4,-3.3 3,-0.3 1,-0.3 -1,-0.2 0.749 113.6 49.8 -66.9 -22.2 16.1 21.8 11.3 87 94 A S T 3X S+ 0 0 3 -4,-1.4 4,-4.9 -5,-0.2 3,-0.3 0.272 80.8 112.7 -98.0 12.0 18.2 23.5 14.0 88 95 A A T <4 S+ 0 0 45 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.815 73.3 44.0 -56.4 -42.6 18.4 20.3 16.1 89 96 A L T 4 S+ 0 0 165 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.857 132.2 24.3 -76.2 -26.5 22.1 19.3 15.9 90 97 A T T 4 S- 0 0 102 -3,-0.3 -2,-0.2 -4,-0.1 -1,-0.1 0.728 99.1-137.8-104.7 -34.0 23.2 22.9 16.5 91 98 A G < - 0 0 12 -4,-4.9 -3,-0.1 -7,-0.2 99,-0.1 0.196 38.2 -67.6 77.7 147.9 20.3 24.6 18.4 92 99 A I - 0 0 11 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.593 63.7-101.4 -67.5 127.3 19.0 28.1 17.5 93 100 A P >> - 0 0 65 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.202 27.8-119.9 -51.7 137.7 21.6 30.7 18.5 94 101 A L H 3> S+ 0 0 75 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.823 111.0 55.7 -51.7 -48.3 20.8 32.4 21.7 95 102 A P H 3> S+ 0 0 64 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.823 110.9 45.8 -57.9 -30.3 20.7 35.9 20.2 96 103 A L H <> S+ 0 0 2 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.897 110.3 53.2 -78.9 -39.4 18.0 34.7 17.8 97 104 A I H X S+ 0 0 5 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.962 111.9 47.2 -57.6 -47.6 16.1 32.9 20.6 98 105 A K H X S+ 0 0 8 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.935 110.8 49.5 -59.6 -44.1 16.1 36.2 22.5 99 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.940 112.9 49.2 -61.9 -41.7 15.0 38.3 19.5 100 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.946 111.7 46.9 -66.5 -44.6 12.2 35.8 18.9 101 108 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.910 112.6 51.2 -58.1 -49.6 11.1 35.8 22.5 102 109 A F H X S+ 0 0 54 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.928 111.7 46.3 -55.4 -46.4 11.2 39.6 22.5 103 110 A Q H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.855 112.4 49.3 -64.4 -42.7 9.1 39.9 19.4 104 111 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.882 107.8 55.3 -65.0 -34.6 6.5 37.3 20.6 105 112 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.880 108.5 49.0 -65.3 -38.9 6.2 39.2 23.9 106 113 A Q H X S+ 0 0 67 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.931 110.6 49.2 -67.7 -40.8 5.4 42.4 21.8 107 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.928 114.7 45.8 -59.7 -50.1 2.8 40.5 19.8 108 115 A L H X S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 5,-0.3 0.953 109.5 54.4 -60.5 -44.2 1.3 39.2 23.1 109 116 A A H X S+ 0 0 4 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.942 110.7 47.1 -55.0 -39.8 1.5 42.7 24.8 110 117 A F H X S+ 0 0 44 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.967 115.8 41.8 -65.6 -52.2 -0.5 44.1 21.9 111 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-1.4 0.964 114.5 51.9 -66.7 -45.6 -3.3 41.4 21.8 112 119 A H H ><5S+ 0 0 16 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.784 101.9 60.2 -62.2 -22.4 -3.5 41.3 25.5 113 120 A S H 3<5S+ 0 0 57 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.760 108.1 45.5 -72.9 -22.8 -4.0 45.2 25.6 114 121 A H T <<5S- 0 0 104 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.136 122.6-111.5 -96.8 10.3 -7.1 44.6 23.5 115 122 A R T < 5S+ 0 0 192 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.862 72.4 139.5 61.2 32.5 -8.2 41.8 25.8 116 123 A V < - 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