==== 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 06-MAR-11 3QZG . 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) . 14669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 62.6 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 . 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 . 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 . 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 . 38 12.9 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 . 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 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 91 0, 0.0 3,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 127.7 78.5 128.5 -83.9 2 2 A E T 3 + 0 0 153 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.786 360.0 51.7 -45.2 -37.8 79.5 131.7 -85.7 3 3 A N T 3 S+ 0 0 81 21,-0.1 21,-0.9 20,-0.1 22,-0.5 0.661 120.6 24.5 -77.8 -15.5 77.7 130.7 -88.9 4 4 A F S < S- 0 0 29 -3,-2.3 19,-0.1 19,-0.2 2,-0.1 -0.237 70.0-125.5-123.8-149.1 74.4 130.0 -87.1 5 5 A Q - 0 0 90 -2,-0.1 17,-0.5 3,-0.1 2,-0.1 -0.501 31.1-120.4-173.1 91.7 72.4 130.9 -84.0 6 6 A K E -A 21 0A 115 1,-0.2 15,-0.2 15,-0.2 3,-0.1 -0.137 27.7-175.1 -41.2 100.0 71.2 128.1 -81.7 7 7 A V E - 0 0 56 13,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.963 68.2 -30.2 -64.5 -49.6 67.5 128.7 -81.8 8 8 A E E -A 20 0A 129 12,-1.1 12,-2.5 -3,-0.1 2,-1.0 -0.979 66.1 -94.3-162.1 161.0 67.1 125.9 -79.3 9 9 A K E -A 19 0A 128 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.765 38.3-165.2 -84.6 107.4 68.7 122.6 -78.1 10 10 A I E - 0 0 77 8,-1.1 2,-0.3 -2,-1.0 9,-0.2 0.961 46.0 -74.0 -59.4 -58.0 66.6 120.1 -80.1 11 11 A G E -A 18 0A 25 7,-1.7 7,-2.5 -3,-0.1 2,-0.4 -0.936 42.0 -86.6-176.8-161.6 67.6 117.0 -78.2 12 12 A E E -A 17 0A 87 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.957 33.3-174.8-142.0 120.6 70.3 114.4 -77.5 13 13 A G - 0 0 13 3,-3.0 3,-0.2 -2,-0.4 148,-0.0 -0.450 46.0 -90.8-104.6-179.8 71.0 111.2 -79.4 14 14 A T S S+ 0 0 16 1,-0.2 140,-0.1 -2,-0.1 3,-0.1 0.799 127.2 36.1 -60.9 -28.5 73.3 108.3 -78.9 15 15 A Y S S- 0 0 24 1,-0.3 21,-0.8 136,-0.1 2,-0.3 0.603 125.4 -41.9-102.5 -13.0 76.0 110.1 -80.9 16 16 A G E - B 0 35A 0 -3,-0.2 -3,-3.0 19,-0.2 2,-0.3 -0.967 64.3 -59.2 168.5 174.9 75.5 113.7 -79.9 17 17 A V E -AB 12 34A 19 17,-0.8 17,-2.4 -2,-0.3 2,-0.4 -0.626 43.3-147.5 -82.9 136.9 73.5 116.8 -79.1 18 18 A V E -AB 11 33A 26 -7,-2.5 -7,-1.7 -2,-0.3 -8,-1.1 -0.886 14.0-170.6-109.5 135.8 71.1 118.2 -81.8 19 19 A Y E -AB 9 32A 23 13,-3.0 13,-3.4 -2,-0.4 2,-0.5 -0.905 23.3-132.7-123.1 150.7 70.3 121.9 -82.2 20 20 A K E +AB 8 31A 45 -12,-2.5 -13,-2.0 -2,-0.3 -12,-1.1 -0.866 43.2 169.2 -95.5 133.1 67.8 123.8 -84.3 21 21 A A E -AB 6 30A 1 9,-2.9 9,-3.2 -2,-0.5 2,-0.5 -0.991 33.1-136.2-147.3 155.0 69.7 126.6 -86.0 22 22 A R E - B 0 29A 90 -17,-0.5 2,-1.5 -2,-0.3 7,-0.2 -0.957 27.3-122.8-114.9 129.1 69.3 129.2 -88.7 23 23 A N >> - 0 0 29 5,-2.9 4,-4.9 -2,-0.5 3,-0.9 -0.526 24.1-148.9 -68.3 93.0 72.1 129.8 -91.2 24 24 A K T 34 S+ 0 0 122 -2,-1.5 -1,-0.2 -21,-0.9 -20,-0.1 0.745 93.5 42.3 -32.0 -42.4 72.6 133.5 -90.4 25 25 A L T 34 S+ 0 0 158 -22,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.871 129.2 24.5 -80.7 -38.7 73.6 134.2 -94.0 26 26 A T T <4 S- 0 0 93 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.623 90.9-137.8-101.1 -15.8 71.0 132.0 -95.9 27 27 A G < + 0 0 37 -4,-4.9 2,-0.2 1,-0.3 -3,-0.2 0.576 50.0 149.0 71.1 6.2 68.3 132.0 -93.2 28 28 A E - 0 0 88 -5,-0.4 -5,-2.9 -6,-0.1 2,-0.5 -0.550 45.5-132.2 -74.6 139.4 67.7 128.3 -93.9 29 29 A V E +B 22 0A 55 -7,-0.2 50,-0.8 -2,-0.2 2,-0.3 -0.830 37.7 165.8 -93.9 127.3 66.6 126.5 -90.7 30 30 A V E -BC 21 78A 0 -9,-3.2 -9,-2.9 -2,-0.5 2,-0.5 -0.805 40.1-112.5-135.4 171.5 68.5 123.3 -90.1 31 31 A A E -BC 20 77A 11 46,-2.7 46,-3.0 -2,-0.3 2,-0.5 -0.954 32.3-159.9-107.4 129.3 69.2 120.7 -87.5 32 32 A L E -BC 19 76A 7 -13,-3.4 -13,-3.0 -2,-0.5 2,-0.5 -0.955 4.0-164.8-118.0 119.8 72.8 120.7 -86.3 33 33 A K E -BC 18 75A 0 42,-2.6 42,-2.2 -2,-0.5 2,-0.6 -0.884 6.8-152.9-105.8 131.3 74.3 117.7 -84.6 34 34 A K E -BC 17 74A 34 -17,-2.4 -17,-0.8 -2,-0.5 2,-0.4 -0.914 8.5-147.8-105.6 121.0 77.5 118.1 -82.7 35 35 A I E BC 16 73A 15 38,-3.6 38,-1.2 -2,-0.6 -19,-0.2 -0.750 360.0 360.0 -89.0 131.4 79.7 114.9 -82.5 36 36 A R 0 0 165 -21,-0.8 -1,-0.1 -2,-0.4 35,-0.1 -0.317 360.0 360.0 -54.5 360.0 81.7 114.7 -79.2 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 72 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.7 88.1 113.5 -78.3 39 42 A E + 0 0 164 32,-0.0 32,-0.1 0, 0.0 0, 0.0 0.346 360.0 59.6-125.2 -1.8 91.5 114.2 -79.9 40 43 A G + 0 0 60 31,-0.1 31,-0.1 2,-0.0 3,-0.0 0.926 61.9 174.6 -91.4 -64.9 91.5 111.3 -82.4 41 44 A V - 0 0 28 1,-0.1 5,-0.1 2,-0.0 30,-0.1 0.968 39.3-116.6 51.7 86.4 88.5 111.8 -84.7 42 45 A P > - 0 0 83 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 -0.198 15.1-153.2 -52.7 135.3 88.9 109.0 -87.4 43 46 A S H > S+ 0 0 61 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.596 95.0 64.9 -85.4 -13.4 89.4 110.3 -90.9 44 47 A T H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.785 99.8 53.6 -76.7 -28.0 87.9 107.1 -92.3 45 48 A A H > S+ 0 0 2 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.890 103.0 53.7 -73.0 -42.4 84.6 108.1 -90.6 46 49 A I H X S+ 0 0 42 -4,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.866 111.0 47.9 -62.2 -34.5 84.5 111.6 -92.2 47 50 A R H X S+ 0 0 140 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.949 113.1 48.0 -68.8 -48.3 84.8 109.9 -95.6 48 51 A E H >X S+ 0 0 82 -4,-1.9 4,-0.8 1,-0.2 3,-0.5 0.956 116.9 41.7 -53.9 -56.9 82.1 107.3 -94.7 49 52 A I H >X S+ 0 0 0 -4,-3.4 3,-1.5 1,-0.2 4,-0.6 0.914 108.1 60.9 -59.3 -45.4 79.8 110.0 -93.4 50 53 A S H >< S+ 0 0 43 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.854 99.1 57.5 -51.4 -37.0 80.6 112.3 -96.4 51 54 A L H X< S+ 0 0 122 -4,-1.8 3,-1.7 -3,-0.5 -1,-0.3 0.811 93.9 67.5 -65.6 -28.1 79.3 109.6 -98.7 52 55 A L H X< S+ 0 0 24 -3,-1.5 3,-2.1 -4,-0.8 11,-0.3 0.738 81.8 74.5 -64.0 -23.3 75.9 109.8 -96.9 53 56 A K T << S+ 0 0 54 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.724 89.6 61.6 -60.5 -21.5 75.4 113.3 -98.3 54 57 A E T < S+ 0 0 125 -3,-1.7 2,-0.6 -4,-0.2 -1,-0.3 0.533 78.4 104.5 -83.0 -6.8 74.7 111.5 -101.6 55 58 A L < + 0 0 18 -3,-2.1 2,-0.5 -4,-0.1 8,-0.4 -0.632 46.4 172.6 -78.3 118.4 71.7 109.6 -100.1 56 59 A N + 0 0 99 -2,-0.6 5,-0.1 6,-0.1 -3,-0.0 -0.953 13.3 134.5-134.5 117.8 68.5 111.2 -101.4 57 60 A H > - 0 0 39 -2,-0.5 3,-2.0 3,-0.4 54,-0.0 -0.965 58.9-116.2-156.6 143.4 65.1 109.7 -100.8 58 61 A P T 3 S+ 0 0 90 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.675 115.1 49.1 -57.1 -18.3 61.8 111.3 -99.6 59 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.6 78,-0.1 2,-0.4 0.138 96.9 79.7-110.6 19.2 61.9 109.2 -96.5 60 63 A I B < S-e 140 0B 10 -3,-2.0 -3,-0.4 79,-0.3 2,-0.2 -0.993 85.1-117.6-126.8 126.6 65.4 109.9 -95.4 61 64 A V - 0 0 7 79,-2.6 2,-0.2 -2,-0.4 81,-0.2 -0.427 41.3-114.1 -60.9 125.2 66.3 113.2 -93.6 62 65 A K - 0 0 97 -2,-0.2 16,-2.1 -4,-0.1 2,-0.8 -0.427 17.3-142.7 -69.3 131.2 68.7 114.9 -96.0 63 66 A L E -D 77 0A 10 -8,-0.4 14,-0.3 -11,-0.3 3,-0.1 -0.853 21.5-179.3 -91.7 112.9 72.3 115.3 -94.7 64 67 A L E - 0 0 27 12,-2.9 2,-0.3 -2,-0.8 13,-0.2 0.850 56.8 -1.5 -83.8 -38.9 73.3 118.7 -96.0 65 68 A D E -D 76 0A 84 11,-1.6 11,-2.7 2,-0.0 2,-0.4 -0.997 45.3-150.7-155.2 157.9 76.9 118.9 -94.7 66 69 A V E -D 75 0A 26 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.984 24.0-174.1-130.3 114.7 79.7 117.3 -92.7 67 70 A I E -D 74 0A 59 7,-3.2 7,-3.0 -2,-0.4 2,-0.6 -0.953 11.2-166.0-121.1 122.8 82.1 119.7 -91.0 68 71 A H E +D 73 0A 97 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.914 29.7 141.2-106.2 116.9 85.2 118.8 -89.1 69 72 A T E > -D 72 0A 55 3,-2.8 3,-1.1 -2,-0.6 -2,-0.1 -0.982 62.3 -1.3-155.4 145.3 86.7 121.6 -87.0 70 73 A E T 3 S- 0 0 158 -2,-0.3 2,-1.8 1,-0.3 3,-0.1 0.867 122.9 -61.6 38.3 56.5 88.3 121.9 -83.6 71 74 A N T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -32,-0.1 2,-0.1 0.056 118.1 112.4 66.2 -32.2 88.0 118.2 -82.8 72 75 A K E < - D 0 69A 88 -2,-1.8 -3,-2.8 -3,-1.1 2,-0.4 -0.420 56.9-152.3 -73.3 145.1 84.2 118.7 -83.1 73 76 A L E -CD 35 68A 6 -38,-1.2 -38,-3.6 -5,-0.2 2,-0.4 -0.971 9.0-162.1-118.9 132.3 82.3 117.2 -85.9 74 77 A Y E -CD 34 67A 32 -7,-3.0 -7,-3.2 -2,-0.4 2,-0.5 -0.960 6.7-166.1-119.5 133.7 79.1 118.9 -87.2 75 78 A L E -CD 33 66A 0 -42,-2.2 -42,-2.6 -2,-0.4 2,-0.6 -0.969 10.7-154.9-114.8 129.1 76.4 117.2 -89.3 76 79 A V E -CD 32 65A 8 -11,-2.7 -12,-2.9 -2,-0.5 -11,-1.6 -0.937 17.9-179.9-108.9 122.9 73.9 119.6 -90.8 77 80 A F E -CD 31 63A 14 -46,-3.0 -46,-2.7 -2,-0.6 -14,-0.2 -0.860 36.8 -98.4-119.9 156.2 70.5 118.1 -91.6 78 81 A E E -C 30 0A 49 -16,-2.1 2,-0.4 -2,-0.3 -48,-0.2 -0.426 52.6-115.2 -64.9 146.5 67.3 119.4 -93.2 79 82 A F - 0 0 40 -50,-0.8 2,-0.4 -58,-0.1 -1,-0.1 -0.726 30.6-174.9 -95.9 134.8 65.0 120.3 -90.3 80 83 A L - 0 0 15 -2,-0.4 53,-0.1 1,-0.1 3,-0.0 -0.953 25.4-131.3-120.3 146.8 61.7 118.6 -89.5 81 84 A H S S+ 0 0 106 -2,-0.4 2,-0.4 51,-0.2 52,-0.1 0.699 77.1 26.9 -75.6 -22.2 59.4 119.9 -86.7 82 85 A Q E -F 132 0B 15 50,-1.2 50,-3.0 4,-0.0 2,-0.2 -0.999 61.3-140.1-147.1 145.1 58.5 116.8 -84.6 83 86 A D E > -F 131 0B 48 -2,-0.4 4,-1.9 48,-0.2 48,-0.2 -0.616 31.4-114.6 -96.7 160.5 59.9 113.4 -83.8 84 87 A L H > S+ 0 0 0 46,-2.8 4,-2.9 43,-1.1 5,-0.2 0.797 112.2 61.1 -65.8 -30.4 57.7 110.3 -83.5 85 88 A K H > S+ 0 0 63 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.955 107.9 44.2 -61.6 -47.8 58.3 109.9 -79.8 86 89 A K H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.910 113.9 50.5 -62.6 -41.6 56.8 113.3 -79.1 87 90 A F H X S+ 0 0 7 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.905 109.9 49.7 -63.7 -42.8 53.9 112.6 -81.5 88 91 A M H < S+ 0 0 17 -4,-2.9 -1,-0.2 2,-0.2 3,-0.2 0.931 112.1 48.3 -62.3 -42.5 53.1 109.2 -79.9 89 92 A D H >< S+ 0 0 87 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.925 112.1 48.9 -62.5 -44.1 53.1 110.8 -76.5 90 93 A A H 3< S+ 0 0 75 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.755 115.3 45.5 -65.6 -24.9 50.8 113.6 -77.8 91 94 A S T 3X S+ 0 0 15 -4,-1.6 4,-3.2 -3,-0.2 -1,-0.3 0.240 80.6 107.9-102.0 10.3 48.5 111.0 -79.3 92 95 A A T <4 S+ 0 0 46 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.802 73.4 55.3 -59.2 -35.1 48.5 108.7 -76.3 93 96 A L T 4 S+ 0 0 167 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.911 127.9 14.3 -66.0 -45.2 44.9 109.5 -75.2 94 97 A T T 4 S- 0 0 113 -3,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.631 104.1-128.0-106.2 -21.1 43.3 108.6 -78.5 95 98 A G < - 0 0 7 -4,-3.2 -3,-0.1 -7,-0.2 99,-0.1 0.230 34.6 -68.9 83.1 149.2 46.0 106.7 -80.3 96 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.585 62.3-104.8 -72.4 129.3 47.4 107.3 -83.8 97 100 A P >> - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.292 26.1-120.2 -56.4 139.9 44.7 106.4 -86.3 98 101 A L H 3> S+ 0 0 67 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.867 111.7 58.1 -50.8 -42.0 45.4 103.1 -88.0 99 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.877 109.9 44.1 -59.9 -32.3 45.5 104.7 -91.5 100 103 A L H <> S+ 0 0 4 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.866 111.7 52.5 -77.0 -39.6 48.3 107.0 -90.3 101 104 A I H X S+ 0 0 5 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.948 112.1 47.1 -58.4 -47.3 50.2 104.2 -88.6 102 105 A K H X S+ 0 0 14 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.905 111.6 50.1 -61.3 -42.8 50.0 102.2 -91.8 103 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.929 112.4 47.1 -63.0 -44.3 51.1 105.2 -93.9 104 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.933 112.4 48.9 -65.0 -45.0 54.1 105.8 -91.6 105 108 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.941 111.8 49.6 -58.6 -47.0 55.1 102.2 -91.6 106 109 A F H X S+ 0 0 54 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.915 113.1 47.0 -57.3 -46.0 54.9 102.0 -95.4 107 110 A Q H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.906 110.7 50.8 -64.5 -43.8 57.0 105.1 -95.7 108 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.872 109.5 51.2 -63.2 -36.9 59.6 104.0 -93.2 109 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.862 107.9 52.8 -68.3 -35.3 60.0 100.6 -95.1 110 113 A Q H X S+ 0 0 62 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.917 110.6 48.3 -64.1 -40.7 60.5 102.6 -98.3 111 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.926 114.5 44.3 -64.3 -45.3 63.2 104.5 -96.6 112 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.914 110.1 55.5 -66.1 -41.3 64.8 101.3 -95.3 113 116 A A H X S+ 0 0 24 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.928 110.8 46.7 -57.5 -41.3 64.5 99.6 -98.6 114 117 A F H X S+ 0 0 40 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.962 115.3 43.3 -65.3 -52.2 66.4 102.5 -100.2 115 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.8 0.925 114.3 50.2 -59.7 -46.5 69.2 102.6 -97.6 116 119 A H H ><5S+ 0 0 25 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.846 106.0 55.5 -63.0 -35.2 69.6 98.8 -97.5 117 120 A S H 3<5S+ 0 0 86 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.747 108.6 49.9 -70.0 -20.1 69.8 98.6 -101.3 118 121 A H T <<5S- 0 0 99 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.200 122.4-110.5 -99.5 15.0 72.6 101.1 -101.1 119 122 A R T < 5S+ 0 0 160 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.823 75.3 135.2 60.7 35.8 74.3 99.0 -98.4 120 123 A V < - 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