==== 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 15-FEB-11 3QQH . 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) . 14376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 62.9 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 12.9 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 . 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 2 0 1 0 1 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 . 0 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 82 0, 0.0 3,-0.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 156.4 78.2 91.5 -47.8 2 2 A E T 3 + 0 0 157 1,-0.2 22,-0.1 3,-0.1 0, 0.0 0.639 360.0 73.0 -74.6 -15.3 77.9 95.1 -48.9 3 3 A N T 3 S+ 0 0 91 21,-0.1 22,-0.6 20,-0.1 2,-0.4 0.744 98.7 56.5 -69.6 -22.2 76.4 94.0 -52.2 4 4 A F < - 0 0 19 -3,-0.9 2,-0.3 19,-0.2 19,-0.2 -0.904 66.3-153.9-115.4 139.0 73.2 93.2 -50.2 5 5 A Q - 0 0 100 17,-2.2 18,-0.1 -2,-0.4 -3,-0.1 -0.383 47.1-137.7-100.9 51.0 71.2 95.5 -48.0 6 6 A K - 0 0 86 -5,-0.3 15,-0.3 -2,-0.3 3,-0.1 0.493 22.3-158.7 -10.1 137.6 70.1 92.3 -46.2 7 7 A V - 0 0 60 13,-2.0 2,-0.3 1,-0.3 14,-0.2 0.855 56.7 -65.0 -94.5 -45.5 66.6 91.7 -45.1 8 8 A E E -A 20 0A 117 12,-2.0 12,-3.0 0, 0.0 2,-0.4 -0.923 46.2 -77.1 168.1 165.8 67.0 89.1 -42.4 9 9 A K E -A 19 0A 113 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.701 40.2-179.5 -81.5 134.0 68.1 85.6 -41.3 10 10 A I E - 0 0 43 8,-2.8 2,-0.3 -2,-0.4 9,-0.2 0.462 52.1 -32.7-118.5 -0.4 65.3 83.2 -42.2 11 11 A G E -A 18 0A 30 7,-1.0 7,-2.8 2,-0.0 2,-0.5 -0.914 52.1-102.5 163.8 169.6 66.4 79.8 -41.1 12 12 A E E -A 17 0A 40 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.954 30.4-165.9-125.3 115.1 69.3 77.4 -40.4 13 13 A G E > -A 16 0A 13 3,-2.5 3,-1.4 -2,-0.5 -2,-0.0 -0.460 39.6 -99.9 -91.9 168.1 70.0 74.5 -42.8 14 14 A T T 3 S+ 0 0 17 1,-0.3 139,-0.2 110,-0.2 3,-0.1 0.861 125.7 36.4 -53.3 -37.8 72.2 71.5 -42.1 15 15 A Y T 3 S- 0 0 13 1,-0.3 21,-1.3 140,-0.1 -1,-0.3 0.351 130.2 -42.8-100.1 4.9 75.0 73.2 -44.1 16 16 A G E < -AB 13 35A 0 -3,-1.4 -3,-2.5 19,-0.2 -1,-0.3 -0.744 67.2 -59.8 150.1 163.0 74.4 76.7 -43.0 17 17 A V E -AB 12 34A 1 17,-0.5 17,-2.2 -5,-0.3 2,-0.4 -0.383 42.3-142.5 -71.9 146.1 72.2 79.7 -42.3 18 18 A V E -AB 11 33A 27 -7,-2.8 -8,-2.8 15,-0.2 -7,-1.0 -0.936 16.2-168.6-113.7 135.1 69.9 81.1 -45.0 19 19 A Y E -AB 9 32A 47 13,-3.6 13,-3.8 -2,-0.4 2,-0.5 -0.889 21.2-134.9-121.1 150.5 69.3 84.8 -45.3 20 20 A K E +AB 8 31A 44 -12,-3.0 -12,-2.0 -2,-0.3 -13,-2.0 -0.896 41.3 171.9 -98.5 133.6 66.8 86.8 -47.4 21 21 A A E - B 0 30A 0 9,-2.7 9,-3.1 -2,-0.5 2,-0.5 -0.981 33.1-131.9-145.9 157.1 68.7 89.7 -49.0 22 22 A R E - B 0 29A 87 -2,-0.3 2,-2.4 7,-0.2 -17,-2.2 -0.949 22.2-131.6-113.9 123.0 68.3 92.4 -51.5 23 23 A N E >> - B 0 28A 32 5,-3.5 4,-3.9 -2,-0.5 5,-0.6 -0.463 20.1-154.1 -72.2 76.2 71.0 92.9 -54.2 24 24 A K T 45S+ 0 0 94 -2,-2.4 -1,-0.2 -21,-0.4 -20,-0.1 0.676 90.4 51.5 -14.9 -56.0 71.3 96.7 -53.6 25 25 A L T 45S+ 0 0 155 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.982 126.9 18.3 -51.2 -79.3 72.5 96.9 -57.2 26 26 A T T 45S- 0 0 87 -3,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.710 96.4-129.8 -70.0 -22.1 69.8 95.0 -59.0 27 27 A G T <5 + 0 0 34 -4,-3.9 -3,-0.2 1,-0.3 2,-0.2 0.563 54.3 157.8 80.0 7.6 67.3 95.4 -56.1 28 28 A E E < -B 23 0A 82 -5,-0.6 -5,-3.5 -6,-0.1 2,-0.6 -0.422 39.4-138.4 -68.3 133.5 66.9 91.6 -56.6 29 29 A V E +B 22 0A 50 -7,-0.2 50,-0.7 -2,-0.2 2,-0.3 -0.854 37.0 160.8 -95.7 124.9 65.5 89.7 -53.5 30 30 A V E -BC 21 78A 0 -9,-3.1 -9,-2.7 -2,-0.6 2,-0.5 -0.816 43.4-108.1-136.5 174.8 67.4 86.4 -53.1 31 31 A A E -BC 20 77A 11 46,-3.1 46,-3.5 -2,-0.3 2,-0.6 -0.944 32.0-160.8-107.2 125.9 68.1 83.8 -50.5 32 32 A L E -BC 19 76A 1 -13,-3.8 -13,-3.6 -2,-0.5 2,-0.6 -0.946 3.7-166.5-112.7 120.5 71.7 83.9 -49.4 33 33 A K E -BC 18 75A 2 42,-3.0 42,-2.7 -2,-0.6 2,-0.7 -0.935 8.2-152.3-111.4 121.5 73.1 80.7 -47.8 34 34 A K E -BC 17 74A 42 -17,-2.2 -17,-0.5 -2,-0.6 2,-0.3 -0.825 13.5-143.8 -94.1 114.0 76.4 81.0 -45.9 35 35 A I E BC 16 73A 12 38,-3.6 38,-0.8 -2,-0.7 -19,-0.2 -0.616 360.0 360.0 -79.7 134.1 78.2 77.7 -45.9 36 36 A R 0 0 89 -21,-1.3 -1,-0.1 -2,-0.3 -20,-0.1 0.926 360.0 360.0 -57.8 360.0 80.1 76.9 -42.7 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 0 138 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.5 87.2 75.2 -40.3 39 42 A E - 0 0 181 32,-0.0 0, 0.0 0, 0.0 0, 0.0 0.834 360.0 -82.1-102.2 -66.3 89.9 74.8 -43.0 40 43 A G S S- 0 0 18 31,-0.0 31,-0.1 30,-0.0 32,-0.1 0.358 74.5 -66.5 165.1 20.3 89.2 77.4 -45.7 41 44 A V - 0 0 22 30,-0.2 31,-0.1 32,-0.0 30,-0.1 0.838 58.2-103.0 78.0 106.9 86.6 75.9 -48.1 42 45 A P > - 0 0 67 0, 0.0 4,-1.0 0, 0.0 107,-0.0 -0.101 17.5-142.6 -54.5 152.2 87.4 72.8 -50.2 43 46 A S H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.849 98.8 55.4 -86.5 -39.2 88.2 73.3 -53.9 44 47 A T H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.848 108.5 52.3 -61.1 -34.2 86.5 70.2 -55.2 45 48 A A H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.911 105.0 51.9 -69.0 -46.4 83.3 71.4 -53.5 46 49 A I H X S+ 0 0 30 -4,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.910 112.8 47.3 -59.4 -41.0 83.3 74.8 -55.1 47 50 A R H X S+ 0 0 152 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.942 114.8 44.8 -66.2 -46.0 83.6 73.2 -58.5 48 51 A E H X S+ 0 0 64 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.915 116.2 45.1 -65.8 -43.4 80.9 70.7 -57.8 49 52 A I H >< S+ 0 0 0 -4,-3.3 3,-1.1 1,-0.2 4,-0.4 0.895 108.2 58.9 -67.4 -37.8 78.5 73.2 -56.3 50 53 A S H >< S+ 0 0 34 -4,-2.3 3,-2.0 -5,-0.4 4,-0.3 0.897 98.1 60.0 -57.9 -38.2 79.3 75.6 -59.1 51 54 A L H >< S+ 0 0 113 -4,-1.7 3,-1.8 1,-0.3 -1,-0.3 0.808 92.1 68.0 -59.3 -29.5 78.1 73.0 -61.5 52 55 A L G X< S+ 0 0 20 -3,-1.1 3,-1.6 -4,-0.7 11,-0.4 0.696 80.4 77.2 -65.8 -16.9 74.7 73.1 -59.8 53 56 A K G < S+ 0 0 78 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.767 88.4 59.6 -63.3 -23.4 74.3 76.6 -61.2 54 57 A E G < S+ 0 0 154 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.3 0.620 76.9 113.0 -79.2 -13.2 73.4 74.9 -64.5 55 58 A L < + 0 0 20 -3,-1.6 2,-0.5 -4,-0.2 8,-0.4 -0.450 43.8 178.0 -63.3 120.2 70.5 73.1 -62.9 56 59 A N + 0 0 105 -2,-0.3 5,-0.1 6,-0.1 -2,-0.0 -0.937 18.1 130.2-131.9 109.3 67.3 74.5 -64.5 57 60 A H > - 0 0 40 -2,-0.5 3,-2.2 3,-0.4 54,-0.0 -0.958 59.0-123.5-158.2 139.2 64.0 73.0 -63.6 58 61 A P T 3 S+ 0 0 87 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.729 114.1 47.1 -56.2 -21.3 60.6 74.5 -62.5 59 62 A N T 3 S+ 0 0 5 80,-0.1 81,-2.4 78,-0.1 2,-0.4 0.175 97.9 81.1-109.0 19.4 60.7 72.4 -59.4 60 63 A I B < S-e 140 0B 9 -3,-2.2 -3,-0.4 79,-0.3 2,-0.3 -0.989 85.0-119.2-124.7 125.2 64.3 73.2 -58.4 61 64 A V - 0 0 5 79,-2.6 81,-0.2 -2,-0.4 2,-0.2 -0.476 41.3-112.9 -63.3 125.0 65.2 76.4 -56.6 62 65 A K - 0 0 47 -2,-0.3 16,-2.3 -4,-0.1 2,-0.8 -0.395 17.2-143.1 -65.5 129.9 67.6 78.2 -58.9 63 66 A L E -D 77 0A 10 -11,-0.4 14,-0.3 -8,-0.4 3,-0.1 -0.870 22.0-179.2 -92.5 110.8 71.2 78.5 -57.6 64 67 A L E - 0 0 52 12,-2.9 2,-0.3 -2,-0.8 13,-0.2 0.846 58.2 -1.6 -80.9 -39.2 72.1 82.0 -59.0 65 68 A D E -D 76 0A 79 11,-1.6 11,-2.9 2,-0.0 2,-0.5 -0.994 46.2-150.0-154.1 157.0 75.6 82.2 -57.8 66 69 A V E -D 75 0A 18 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.957 26.2-169.7-129.8 107.2 78.3 80.5 -55.8 67 70 A I E -D 74 0A 46 7,-3.1 7,-3.2 -2,-0.5 2,-0.6 -0.897 9.4-165.5-108.2 125.6 80.6 83.0 -54.2 68 71 A H E +D 73 0A 92 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.938 30.3 139.2-108.2 120.8 83.9 82.1 -52.5 69 72 A T E > +D 72 0A 36 3,-3.0 3,-1.3 -2,-0.6 -2,-0.0 -0.979 57.3 7.6-162.3 149.9 85.3 84.8 -50.3 70 73 A E T 3 S- 0 0 153 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.855 127.9 -59.9 45.0 41.9 87.1 85.4 -46.9 71 74 A N T 3 S+ 0 0 110 1,-0.2 2,-0.3 -31,-0.1 -1,-0.3 0.905 118.7 113.4 54.4 43.2 87.3 81.6 -46.6 72 75 A K E < - D 0 69A 83 -3,-1.3 -3,-3.0 -32,-0.1 2,-0.5 -0.997 58.4-142.7-145.7 139.6 83.6 81.5 -46.8 73 76 A L E -CD 35 68A 1 -38,-0.8 -38,-3.6 -2,-0.3 2,-0.4 -0.900 14.9-170.9-109.0 128.7 81.2 80.1 -49.3 74 77 A Y E -CD 34 67A 27 -7,-3.2 -7,-3.1 -2,-0.5 2,-0.5 -0.956 8.4-158.6-119.7 134.7 77.9 81.7 -50.2 75 78 A L E -CD 33 66A 1 -42,-2.7 -42,-3.0 -2,-0.4 2,-0.6 -0.953 9.3-153.5-109.9 127.6 75.2 80.2 -52.3 76 79 A V E -CD 32 65A 8 -11,-2.9 -12,-2.9 -2,-0.5 -11,-1.6 -0.920 20.0-177.5-104.7 120.0 72.8 82.8 -53.9 77 80 A F E -CD 31 63A 16 -46,-3.5 -46,-3.1 -2,-0.6 -14,-0.2 -0.838 35.5 -99.4-117.0 153.8 69.4 81.2 -54.6 78 81 A E E -C 30 0A 49 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.398 51.9-116.4 -63.4 149.7 66.2 82.5 -56.1 79 82 A F - 0 0 36 -50,-0.7 2,-0.4 -58,-0.1 -1,-0.1 -0.797 30.5-174.5-100.1 133.0 64.0 83.4 -53.3 80 83 A L - 0 0 14 -2,-0.4 53,-0.1 1,-0.1 3,-0.1 -0.923 26.6-128.7-117.6 148.4 60.6 81.8 -52.5 81 84 A H S S+ 0 0 100 -2,-0.4 2,-0.4 51,-0.3 52,-0.1 0.722 79.0 25.4 -75.5 -23.4 58.4 83.1 -49.7 82 85 A Q E -F 132 0B 23 50,-1.4 50,-3.4 4,-0.0 2,-0.2 -0.998 62.6-138.9-146.9 143.6 57.6 80.1 -47.7 83 86 A D E > -F 131 0B 21 -2,-0.4 4,-2.2 48,-0.3 48,-0.3 -0.600 31.9-114.2 -93.7 157.0 59.0 76.7 -46.8 84 87 A L H > S+ 0 0 0 46,-3.4 4,-3.0 43,-1.1 5,-0.2 0.827 113.7 60.1 -60.8 -33.5 56.9 73.6 -46.6 85 88 A K H > S+ 0 0 91 42,-0.6 4,-2.2 45,-0.3 -1,-0.2 0.964 109.3 43.6 -59.1 -48.7 57.5 73.2 -42.9 86 89 A K H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.895 113.3 51.5 -63.2 -40.2 56.0 76.7 -42.2 87 90 A F H X S+ 0 0 5 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.918 110.0 49.1 -64.2 -43.0 53.1 76.0 -44.6 88 91 A M H < S+ 0 0 15 -4,-3.0 4,-0.3 2,-0.2 -1,-0.2 0.886 110.8 50.0 -63.9 -38.1 52.3 72.7 -42.8 89 92 A D H >< S+ 0 0 111 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.920 113.1 46.9 -65.6 -40.8 52.4 74.4 -39.4 90 93 A A H 3< S+ 0 0 77 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.683 116.8 43.9 -72.8 -20.1 50.1 77.0 -40.8 91 94 A S T 3X S+ 0 0 13 -4,-1.3 4,-3.7 -5,-0.2 3,-0.4 0.300 82.6 105.4-105.9 7.2 47.8 74.4 -42.3 92 95 A A T <4 S+ 0 0 41 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.708 76.1 53.8 -61.8 -23.9 47.9 72.1 -39.3 93 96 A L T 4 S+ 0 0 170 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.863 127.9 16.4 -80.2 -36.7 44.4 73.0 -38.2 94 97 A T T 4 S- 0 0 115 -3,-0.4 -2,-0.2 -4,-0.1 -1,-0.1 0.617 103.9-129.6-109.5 -19.7 42.7 72.2 -41.5 95 98 A G < - 0 0 8 -4,-3.7 -3,-0.1 -7,-0.2 99,-0.1 0.061 34.4 -71.3 83.6 158.1 45.3 70.1 -43.2 96 99 A I - 0 0 11 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.760 60.8-105.8 -85.8 126.4 46.6 70.7 -46.7 97 100 A P >> - 0 0 80 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.227 26.5-118.9 -52.9 143.9 43.9 69.7 -49.2 98 101 A L H 3> S+ 0 0 62 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.889 112.4 58.3 -52.3 -44.9 44.6 66.5 -50.9 99 102 A P H 3> S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.865 110.9 43.5 -55.8 -34.4 44.7 68.0 -54.4 100 103 A L H <> S+ 0 0 4 -3,-0.9 4,-3.4 2,-0.2 5,-0.2 0.905 112.8 50.0 -76.8 -43.8 47.4 70.4 -53.2 101 104 A I H X S+ 0 0 6 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.951 114.1 47.6 -56.6 -46.8 49.4 67.7 -51.4 102 105 A K H X S+ 0 0 11 -4,-3.5 4,-2.4 -5,-0.2 -2,-0.2 0.898 111.9 48.9 -61.2 -41.3 49.1 65.6 -54.6 103 106 A S H X S+ 0 0 3 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.938 112.7 47.9 -64.4 -47.4 50.2 68.6 -56.7 104 107 A Y H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.930 112.2 48.6 -59.6 -47.8 53.2 69.2 -54.4 105 108 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 -1,-0.2 0.925 111.4 50.2 -59.7 -43.5 54.2 65.6 -54.4 106 109 A F H X S+ 0 0 51 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.912 113.7 45.0 -60.2 -44.9 54.0 65.3 -58.2 107 110 A Q H X S+ 0 0 11 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.885 112.0 51.9 -67.5 -40.1 56.1 68.5 -58.6 108 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.915 109.7 49.5 -62.7 -43.0 58.6 67.3 -56.0 109 112 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.839 108.9 53.5 -64.0 -34.6 58.9 64.0 -57.8 110 113 A Q H X S+ 0 0 60 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.928 109.9 47.8 -65.3 -43.2 59.4 65.9 -61.1 111 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 115.3 44.1 -63.2 -44.4 62.2 67.9 -59.4 112 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.921 110.9 53.9 -66.6 -42.4 63.8 64.7 -58.0 113 116 A A H X S+ 0 0 22 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.921 111.7 47.6 -56.1 -42.8 63.4 62.9 -61.3 114 117 A F H X S+ 0 0 37 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.952 115.6 41.9 -62.8 -53.2 65.2 65.8 -63.0 115 118 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-1.0 0.932 115.1 50.3 -61.8 -47.0 68.1 66.0 -60.5 116 119 A H H ><5S+ 0 0 27 -4,-3.4 3,-1.7 1,-0.3 -1,-0.2 0.866 106.3 55.2 -60.4 -36.6 68.5 62.2 -60.3 117 120 A S H 3<5S+ 0 0 76 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.725 109.0 50.0 -69.3 -18.6 68.6 62.0 -64.1 118 121 A H T <<5S- 0 0 82 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.128 121.7-109.5-103.4 18.3 71.4 64.5 -63.9 119 122 A R T < 5S+ 0 0 199 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.841 76.4 134.4 58.8 35.9 73.2 62.4 -61.3 120 123 A V < - 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