==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-APR-11 3RPY . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 277 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.6 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 14.1 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 . 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.7 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 3 0 0 1 0 0 1 1 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 49 0, 0.0 3,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.0 106.6 91.7 -49.4 2 2 A E T 3 + 0 0 150 1,-0.2 22,-0.1 3,-0.1 0, 0.0 0.477 360.0 78.5 -86.5 -4.0 106.3 95.5 -49.4 3 3 A N T 3 S+ 0 0 71 20,-0.1 21,-1.1 21,-0.0 22,-0.4 0.445 94.2 54.2 -81.0 -2.2 104.4 94.9 -52.7 4 4 A F B < -A 23 0A 22 -3,-0.8 2,-0.7 19,-0.2 19,-0.2 -0.968 67.5-144.8-136.4 151.0 101.4 93.9 -50.7 5 5 A Q - 0 0 85 17,-1.8 17,-0.4 -2,-0.3 -3,-0.1 -0.806 30.3-137.3-114.5 86.2 99.2 95.3 -47.9 6 6 A K - 0 0 87 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.194 19.2-171.5 -44.7 117.4 98.2 92.2 -45.9 7 7 A V - 0 0 63 13,-2.6 2,-0.3 1,-0.3 14,-0.2 0.879 62.0 -31.4 -81.8 -42.4 94.5 92.7 -45.2 8 8 A E E -B 20 0B 102 12,-1.4 12,-3.4 0, 0.0 2,-0.5 -0.952 60.1 -98.1-173.6 153.7 94.3 89.8 -42.8 9 9 A K E +B 19 0B 106 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.708 39.0 175.1 -78.8 124.0 95.6 86.3 -41.9 10 10 A I E - 0 0 72 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.620 54.9 -3.0-108.0 -14.9 93.1 83.9 -43.4 11 11 A G E -B 18 0B 23 7,-1.8 7,-2.0 2,-0.0 2,-0.3 -0.992 46.4-150.5-166.6 171.1 94.8 80.5 -42.8 12 12 A E E +B 17 0B 128 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.910 19.6 167.1-156.1 123.1 97.7 78.4 -41.5 13 13 A G E > -B 16 0B 39 3,-2.8 3,-1.1 -2,-0.3 -2,-0.0 -0.605 54.4 -90.0-123.5-174.8 98.9 75.1 -42.6 14 14 A T T 3 S+ 0 0 102 1,-0.2 3,-0.1 -2,-0.2 131,-0.0 0.727 125.3 56.4 -71.5 -19.4 102.0 73.0 -42.1 15 15 A Y T 3 S- 0 0 70 1,-0.2 21,-0.6 20,-0.1 2,-0.3 0.458 122.1 -79.4 -90.9 -2.0 103.6 74.7 -45.1 16 16 A G E < -BC 13 35B 19 -3,-1.1 -3,-2.8 19,-0.2 2,-0.4 -0.925 57.4 -46.7 141.5-166.3 103.1 78.2 -43.8 17 17 A V E -BC 12 34B 27 17,-1.7 17,-3.1 -2,-0.3 2,-0.4 -0.890 38.9-151.8-112.3 139.9 100.7 81.1 -43.3 18 18 A V E -BC 11 33B 23 -7,-2.0 -8,-2.2 -2,-0.4 -7,-1.8 -0.920 13.1-171.2-113.8 132.7 98.3 82.5 -45.9 19 19 A Y E -BC 9 32B 37 13,-3.0 13,-3.2 -2,-0.4 2,-0.5 -0.902 28.5-122.6-121.4 150.0 97.1 86.1 -45.9 20 20 A K E +BC 8 31B 54 -12,-3.4 -13,-2.6 -2,-0.3 -12,-1.4 -0.782 51.0 172.2 -83.4 132.2 94.4 87.9 -47.8 21 21 A A E - C 0 30B 0 9,-2.8 9,-3.2 -2,-0.5 2,-0.5 -0.971 33.1-135.0-145.6 161.5 96.5 90.7 -49.5 22 22 A R E - C 0 29B 80 -17,-0.4 -17,-1.8 -2,-0.3 2,-1.1 -0.973 22.5-128.4-120.6 126.8 96.2 93.5 -52.0 23 23 A N B > -A 4 0A 28 5,-2.8 4,-4.0 -2,-0.5 5,-0.3 -0.622 20.8-150.2 -72.4 100.3 98.9 94.1 -54.6 24 24 A K T 4 S+ 0 0 112 -2,-1.1 -1,-0.2 -21,-1.1 -20,-0.1 0.507 91.6 44.2 -54.0 -3.5 99.5 97.8 -54.0 25 25 A L T 4 S+ 0 0 148 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.817 126.1 24.5-105.5 -52.9 100.4 98.3 -57.6 26 26 A T T 4 S- 0 0 86 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.680 93.9-136.0 -86.1 -20.9 97.7 96.3 -59.6 27 27 A G < + 0 0 41 -4,-4.0 -3,-0.1 1,-0.3 2,-0.0 0.401 52.2 147.5 80.5 -4.3 95.2 96.6 -56.8 28 28 A E - 0 0 85 -5,-0.3 -5,-2.8 -6,-0.1 2,-0.5 -0.343 47.0-129.2 -67.7 146.1 94.3 92.9 -57.2 29 29 A V E +C 22 0B 59 -7,-0.2 46,-0.7 -3,-0.1 2,-0.3 -0.827 38.9 165.0 -97.2 129.6 93.3 90.9 -54.1 30 30 A V E -CD 21 74B 1 -9,-3.2 -9,-2.8 -2,-0.5 2,-0.6 -0.837 43.4-107.6-137.9 174.5 95.1 87.7 -53.7 31 31 A A E -CD 20 73B 11 42,-2.4 42,-3.0 -2,-0.3 2,-0.6 -0.951 36.4-161.0-106.2 116.3 95.9 84.9 -51.3 32 32 A L E -CD 19 72B 0 -13,-3.2 -13,-3.0 -2,-0.6 2,-0.6 -0.903 2.3-162.2-106.3 117.9 99.6 85.3 -50.2 33 33 A K E -CD 18 71B 11 38,-3.1 38,-2.3 -2,-0.6 2,-0.8 -0.877 4.6-156.8-104.3 118.5 101.2 82.2 -48.7 34 34 A K E -CD 17 70B 61 -17,-3.1 -17,-1.7 -2,-0.6 36,-0.2 -0.836 19.6-169.8 -93.8 110.3 104.4 82.8 -46.7 35 35 A I E CD 16 69B 27 34,-3.6 34,-1.3 -2,-0.8 -19,-0.2 -0.631 360.0 360.0-100.2 159.8 106.3 79.5 -46.8 36 36 A R 0 0 210 -21,-0.6 -1,-0.1 -2,-0.2 -20,-0.1 -0.010 360.0 360.0 179.7 360.0 109.4 78.6 -44.7 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 45 A P > 0 0 128 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 148.4 115.8 74.3 -51.5 39 46 A S H > + 0 0 70 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.821 360.0 58.5 -85.7 -36.2 115.9 74.0 -55.3 40 47 A T H > S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.772 108.5 51.3 -62.9 -24.3 114.0 70.7 -55.4 41 48 A A H > S+ 0 0 24 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.978 114.0 38.1 -74.7 -62.4 111.3 72.7 -53.7 42 49 A I H X S+ 0 0 52 -4,-1.5 4,-3.8 2,-0.2 5,-0.2 0.909 116.9 51.6 -56.2 -46.3 111.1 75.6 -56.1 43 50 A R H X S+ 0 0 195 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.930 111.9 48.6 -57.3 -43.0 111.6 73.4 -59.1 44 51 A E H >X S+ 0 0 63 -4,-1.1 4,-1.0 -5,-0.3 3,-0.8 0.914 113.5 46.5 -61.3 -45.9 108.7 71.2 -57.7 45 52 A I H >X S+ 0 0 1 -4,-2.9 4,-1.2 1,-0.2 3,-0.8 0.939 101.0 65.1 -62.2 -49.6 106.6 74.3 -57.2 46 53 A S H 3X S+ 0 0 57 -4,-3.8 4,-0.6 1,-0.3 -1,-0.2 0.712 98.7 56.7 -47.8 -22.9 107.4 75.7 -60.7 47 54 A L H X< S+ 0 0 121 -3,-0.8 3,-1.6 -4,-0.7 -1,-0.3 0.943 99.2 58.5 -73.6 -48.0 105.5 72.7 -62.0 48 55 A L H X< S+ 0 0 29 -4,-1.0 3,-1.6 -3,-0.8 11,-0.3 0.765 95.0 65.4 -51.2 -31.3 102.4 73.6 -60.0 49 56 A K H 3< S+ 0 0 50 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.857 102.7 46.4 -62.5 -36.0 102.3 77.0 -61.8 50 57 A E T << S+ 0 0 143 -3,-1.6 2,-1.1 -4,-0.6 -1,-0.3 0.229 87.4 99.1 -89.9 13.9 101.6 75.2 -65.1 51 58 A L < + 0 0 13 -3,-1.6 2,-0.5 -4,-0.1 8,-0.2 -0.627 54.8 164.2 -99.2 71.7 99.0 73.1 -63.4 52 59 A N + 0 0 84 -2,-1.1 5,-0.1 6,-0.1 6,-0.1 -0.821 4.3 139.3-101.3 126.9 96.0 75.1 -64.5 53 60 A H > - 0 0 40 -2,-0.5 3,-2.0 3,-0.5 -2,-0.0 -0.979 59.4-109.5-158.0 148.4 92.4 73.7 -64.3 54 61 A P T 3 S+ 0 0 89 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.704 118.6 47.0 -58.6 -18.5 89.1 75.2 -63.3 55 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.7 78,-0.1 2,-0.4 0.131 98.1 80.6-112.1 22.7 89.0 73.2 -60.1 56 63 A I B < S-f 136 0C 7 -3,-2.0 -3,-0.5 79,-0.3 81,-0.2 -0.998 88.6-113.4-126.5 123.6 92.5 74.0 -59.0 57 64 A V - 0 0 10 79,-2.7 2,-0.3 -2,-0.4 -2,-0.1 -0.368 42.0-112.6 -56.2 127.4 93.3 77.3 -57.2 58 65 A K - 0 0 104 -4,-0.1 16,-2.2 -2,-0.1 2,-0.8 -0.501 17.9-144.2 -72.6 125.9 95.5 79.2 -59.7 59 66 A L E +E 73 0B 5 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.818 23.6 178.4 -88.3 110.3 99.1 79.7 -58.5 60 67 A L E + 0 0 37 12,-2.9 2,-0.3 -2,-0.8 13,-0.2 0.887 56.3 5.8 -83.0 -46.8 99.9 83.2 -59.9 61 68 A D E -E 72 0B 83 11,-1.4 11,-3.1 2,-0.0 2,-0.5 -0.999 50.8-155.2-145.2 146.2 103.4 84.0 -58.7 62 69 A V E -E 71 0B 41 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.990 19.7-171.4-120.9 118.9 106.2 82.3 -57.0 63 70 A I E -E 70 0B 43 7,-3.2 7,-3.1 -2,-0.5 2,-0.6 -0.960 9.6-172.1-120.0 123.4 108.6 84.6 -55.2 64 71 A H E +E 69 0B 114 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.951 26.4 144.7-112.4 114.7 111.9 83.5 -53.7 65 72 A T E > -E 68 0B 57 3,-2.9 3,-2.2 -2,-0.6 -2,-0.1 -0.991 58.0 -7.6-153.3 146.0 113.6 86.3 -51.7 66 73 A E T 3 S- 0 0 190 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.825 126.2 -48.4 34.5 62.9 115.7 86.7 -48.5 67 74 A N T 3 S+ 0 0 136 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.724 120.0 112.6 58.0 21.9 115.4 83.1 -47.3 68 75 A K E < - E 0 65B 48 -3,-2.2 -3,-2.9 2,-0.0 2,-0.5 -0.970 53.4-157.7-130.1 142.7 111.7 83.4 -47.9 69 76 A L E -DE 35 64B 24 -34,-1.3 -34,-3.6 -2,-0.4 2,-0.4 -0.976 13.4-175.5-120.9 119.8 109.3 81.7 -50.3 70 77 A Y E -DE 34 63B 21 -7,-3.1 -7,-3.2 -2,-0.5 2,-0.5 -0.922 7.8-161.8-115.7 139.3 106.0 83.4 -51.1 71 78 A L E -DE 33 62B 6 -38,-2.3 -38,-3.1 -2,-0.4 2,-0.6 -0.982 6.9-153.0-122.1 129.6 103.3 82.0 -53.3 72 79 A V E -DE 32 61B 3 -11,-3.1 -12,-2.9 -2,-0.5 -11,-1.4 -0.907 19.0-179.0-105.7 122.1 100.6 84.2 -54.7 73 80 A F E -DE 31 59B 29 -42,-3.0 -42,-2.4 -2,-0.6 -14,-0.2 -0.819 37.6 -95.8-118.0 157.4 97.3 82.5 -55.5 74 81 A E E -D 30 0B 47 -16,-2.2 2,-0.5 -2,-0.3 -44,-0.2 -0.456 52.3-113.1 -64.2 146.2 94.0 83.7 -56.9 75 82 A F - 0 0 53 -46,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.732 29.9-159.8 -91.3 128.5 91.8 84.6 -54.0 76 83 A L - 0 0 14 -2,-0.5 53,-0.1 1,-0.1 3,-0.1 -0.793 20.8-123.4-107.7 152.9 88.7 82.6 -53.3 77 84 A H S S- 0 0 67 51,-0.4 2,-0.3 -2,-0.3 52,-0.2 0.838 77.3 -13.3 -61.3 -45.0 85.8 83.7 -51.3 78 85 A Q E -G 128 0C 16 50,-1.7 50,-2.9 199,-0.0 2,-0.2 -0.974 61.6-115.3-157.6 161.4 85.4 81.0 -48.6 79 86 A D E > -G 127 0C 41 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.687 30.7-114.1-103.0 162.2 86.6 77.5 -47.7 80 87 A L H > S+ 0 0 0 46,-2.9 4,-2.7 43,-1.0 44,-0.2 0.760 111.9 60.9 -65.1 -26.1 84.4 74.4 -47.4 81 88 A K H > S+ 0 0 81 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.961 108.3 43.3 -66.4 -47.0 84.9 74.1 -43.7 82 89 A K H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.919 114.5 51.2 -62.8 -41.1 83.3 77.5 -43.0 83 90 A F H X S+ 0 0 8 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.912 108.8 50.2 -63.4 -43.6 80.6 76.7 -45.6 84 91 A M H < S+ 0 0 19 -4,-2.7 3,-0.4 2,-0.2 -1,-0.2 0.922 112.0 48.1 -61.3 -43.1 79.7 73.4 -43.9 85 92 A D H >< S+ 0 0 95 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.923 109.9 51.6 -63.0 -42.8 79.5 75.0 -40.5 86 93 A A H 3< S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.734 114.9 44.8 -64.6 -21.8 77.3 77.8 -41.9 87 94 A S T 3X S+ 0 0 14 -4,-1.2 4,-4.1 -3,-0.4 3,-0.5 0.267 81.1 108.0-104.6 8.2 75.1 75.0 -43.4 88 95 A A T <4 S+ 0 0 46 -3,-1.5 -1,-0.1 1,-0.2 -2,-0.1 0.783 73.8 54.0 -59.8 -32.6 75.0 72.8 -40.2 89 96 A L T 4 S+ 0 0 169 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.858 130.5 13.9 -72.4 -32.2 71.4 73.5 -39.3 90 97 A T T 4 S- 0 0 105 -3,-0.5 -2,-0.2 3,-0.0 -1,-0.1 0.594 102.4-129.8-116.4 -19.7 70.0 72.6 -42.7 91 98 A G < - 0 0 8 -4,-4.1 -3,-0.1 -7,-0.2 87,-0.1 0.201 36.8 -68.7 79.9 152.0 72.9 70.8 -44.4 92 99 A I - 0 0 11 85,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.605 63.2-103.1 -74.6 134.0 74.2 71.5 -47.9 93 100 A P >> - 0 0 78 0, 0.0 4,-2.1 0, 0.0 3,-1.5 -0.336 27.4-118.4 -61.4 139.5 71.6 70.5 -50.4 94 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.840 111.9 57.0 -48.0 -43.6 72.4 67.2 -52.2 95 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 176,-0.4 0.876 110.9 45.1 -59.6 -31.6 72.6 68.8 -55.7 96 103 A L H <> S+ 0 0 4 -3,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.880 112.1 50.9 -77.5 -38.6 75.3 71.1 -54.4 97 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.958 112.6 47.7 -60.5 -47.5 77.1 68.3 -52.6 98 105 A K H X S+ 0 0 13 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.910 111.0 50.2 -60.8 -42.8 77.0 66.3 -55.8 99 106 A S H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.925 112.2 47.3 -61.8 -45.6 78.3 69.3 -57.9 100 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.921 113.4 47.0 -62.3 -46.3 81.1 69.9 -55.5 101 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.937 112.5 51.3 -61.3 -44.4 82.2 66.3 -55.3 102 109 A F H X S+ 0 0 50 -4,-2.7 4,-1.4 -5,-0.3 -2,-0.2 0.905 112.1 45.2 -59.3 -44.9 82.0 66.1 -59.1 103 110 A Q H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.869 111.4 52.6 -68.1 -37.7 84.1 69.2 -59.6 104 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.863 107.1 52.4 -67.2 -35.0 86.7 68.0 -57.1 105 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.848 108.3 51.7 -67.9 -33.2 87.0 64.7 -58.8 106 113 A Q H X S+ 0 0 64 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.934 110.2 49.1 -67.5 -43.8 87.6 66.6 -62.1 107 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.921 115.0 43.3 -60.4 -45.3 90.3 68.5 -60.3 108 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.924 110.0 55.7 -67.1 -43.7 91.9 65.3 -58.9 109 116 A A H X S+ 0 0 25 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.893 111.8 45.8 -54.2 -40.5 91.5 63.5 -62.2 110 117 A F H X S+ 0 0 46 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.951 114.8 45.6 -67.6 -51.0 93.5 66.4 -63.8 111 118 A C H ><>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 3,-0.8 0.937 114.3 48.8 -56.2 -51.3 96.2 66.5 -61.0 112 119 A H H ><5S+ 0 0 29 -4,-3.5 3,-1.5 1,-0.3 -1,-0.2 0.826 105.9 55.9 -61.5 -34.4 96.6 62.7 -61.1 113 120 A S H 3<5S+ 0 0 87 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.736 110.1 47.7 -71.9 -19.2 96.9 62.6 -64.9 114 121 A H T <<5S- 0 0 103 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.147 121.9-110.8-103.3 17.8 99.8 65.0 -64.5 115 122 A R T < 5S+ 0 0 228 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.808 73.9 135.7 57.2 35.2 101.3 62.9 -61.7 116 123 A V < - 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