==== 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 22-MAR-11 3R6X . 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) . 15146.0 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 . 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 . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 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 3 1 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 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 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.6 -78.8 -23.1 23.9 2 2 A E - 0 0 173 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.746 360.0 -0.2 -68.9 -24.0 -80.9 -24.2 20.9 3 3 A N S S+ 0 0 76 21,-0.0 21,-2.9 22,-0.0 22,-0.4 0.391 123.3 75.7-141.3 -9.2 -77.8 -24.0 18.6 4 4 A F E -A 23 0A 22 19,-0.2 2,-0.4 20,-0.1 19,-0.2 -0.647 56.1-152.3-109.5 165.8 -75.0 -22.9 21.0 5 5 A Q E -A 22 0A 90 17,-1.1 17,-1.3 -2,-0.2 -3,-0.0 -0.892 30.0-126.1-137.4 100.4 -72.9 -24.5 23.7 6 6 A K E -A 21 0A 98 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.243 25.4-176.2 -50.2 122.3 -71.8 -22.0 26.3 7 7 A V E - 0 0 61 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.895 62.1 -33.8 -86.9 -49.5 -68.0 -22.2 26.6 8 8 A E E -A 20 0A 128 12,-1.6 12,-2.9 0, 0.0 2,-0.7 -0.976 61.5 -92.5-163.5 168.5 -67.6 -19.7 29.4 9 9 A K E -A 19 0A 120 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.839 30.5-170.3 -92.6 118.0 -69.0 -16.5 30.9 10 10 A I E - 0 0 89 8,-2.1 2,-0.3 -2,-0.7 9,-0.2 0.845 52.8 -81.9 -76.8 -36.1 -67.0 -13.6 29.5 11 11 A G E -A 18 0A 26 7,-1.6 7,-2.4 2,-0.0 2,-0.5 -0.994 48.3 -60.9 164.8-162.0 -68.5 -11.1 31.9 12 12 A E E -A 17 0A 81 -2,-0.3 5,-0.2 5,-0.2 145,-0.1 -0.838 50.3-161.1-122.6 91.7 -71.4 -8.8 32.7 13 13 A G - 0 0 14 3,-1.6 5,-0.0 -2,-0.5 -2,-0.0 0.147 36.7 -96.8 -60.0-177.6 -71.9 -6.2 30.0 14 14 A T S S+ 0 0 22 1,-0.2 140,-0.2 141,-0.1 -1,-0.1 0.629 126.0 34.7 -78.8 -13.5 -73.8 -2.9 30.3 15 15 A Y S S- 0 0 24 1,-0.4 21,-1.2 21,-0.1 2,-0.3 0.716 128.9 -51.2-108.6 -33.7 -76.9 -4.6 28.8 16 16 A G S S- 0 0 3 19,-0.2 -3,-1.6 20,-0.1 -1,-0.4 -0.966 76.0 -36.5-178.4-167.3 -76.5 -8.2 30.2 17 17 A V E -A 12 0A 13 -2,-0.3 17,-2.4 -5,-0.2 2,-0.4 -0.493 49.6-152.0 -76.9 145.8 -74.4 -11.3 30.7 18 18 A V E -AB 11 33A 21 -7,-2.4 -8,-2.1 15,-0.2 -7,-1.6 -0.977 11.3-171.9-124.2 134.1 -72.0 -12.3 27.9 19 19 A Y E -AB 9 32A 43 13,-2.8 13,-3.3 -2,-0.4 2,-0.5 -0.901 26.6-128.4-123.3 151.6 -70.8 -15.8 27.1 20 20 A K E +AB 8 31A 46 -12,-2.9 -13,-3.2 -2,-0.3 -12,-1.6 -0.855 46.4 174.8 -91.8 130.7 -68.2 -17.2 24.8 21 21 A A E -AB 6 30A 0 9,-2.6 9,-3.1 -2,-0.5 2,-0.5 -0.958 30.3-134.1-140.7 158.8 -70.1 -19.8 22.9 22 22 A R E -AB 5 29A 93 -17,-1.3 -17,-1.1 -2,-0.3 2,-0.7 -0.957 22.8-126.7-116.2 130.1 -69.7 -22.2 20.0 23 23 A N E > -A 4 0A 24 5,-3.2 4,-2.3 -2,-0.5 -19,-0.2 -0.640 20.8-147.1 -71.7 115.4 -72.3 -22.6 17.3 24 24 A K T 4 S+ 0 0 129 -21,-2.9 -1,-0.2 -2,-0.7 -20,-0.1 0.752 91.9 38.1 -58.7 -25.6 -72.8 -26.4 17.4 25 25 A L T 4 S+ 0 0 147 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.942 126.6 29.7 -88.8 -63.6 -73.4 -26.6 13.6 26 26 A T T 4 S- 0 0 96 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.783 95.1-138.4 -67.4 -28.5 -71.0 -24.1 12.0 27 27 A G < + 0 0 28 -4,-2.3 -3,-0.1 1,-0.3 -1,-0.1 0.463 50.2 148.4 82.4 0.2 -68.5 -24.7 14.9 28 28 A E - 0 0 84 -6,-0.1 -5,-3.2 -5,-0.1 2,-0.5 -0.378 45.9-132.0 -70.5 146.6 -67.7 -21.0 15.0 29 29 A V E +B 22 0A 50 -7,-0.2 50,-0.7 -3,-0.1 2,-0.3 -0.859 38.2 164.6 -99.6 131.5 -66.8 -19.5 18.4 30 30 A V E -BC 21 78A 0 -9,-3.1 -9,-2.6 -2,-0.5 2,-0.5 -0.827 41.3-106.0-139.2 174.4 -68.7 -16.2 19.1 31 31 A A E -BC 20 77A 15 46,-2.6 46,-2.9 -2,-0.3 2,-0.6 -0.941 33.2-160.6-106.9 128.9 -69.6 -13.8 21.8 32 32 A L E -BC 19 76A 2 -13,-3.3 -13,-2.8 -2,-0.5 2,-0.6 -0.946 4.2-167.2-116.6 117.2 -73.3 -14.2 22.9 33 33 A K E -BC 18 75A 6 42,-2.8 42,-2.4 -2,-0.6 2,-0.6 -0.915 11.0-150.0-108.7 120.4 -74.9 -11.3 24.8 34 34 A K E - C 0 74A 67 -17,-2.4 2,-0.3 -2,-0.6 -17,-0.2 -0.788 23.9-136.4 -85.3 120.4 -78.2 -11.9 26.5 35 35 A I E C 0 73A 25 38,-3.3 38,-0.5 -2,-0.6 -19,-0.2 -0.653 360.0 360.0 -87.6 136.5 -80.0 -8.5 26.5 36 36 A R 0 0 133 -21,-1.2 -1,-0.1 -2,-0.3 -20,-0.1 0.995 360.0 360.0 -66.7 360.0 -81.9 -7.2 29.5 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 0 114 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.2 -86.7 -6.5 30.5 39 42 A E + 0 0 189 33,-0.0 33,-0.1 0, 0.0 -3,-0.0 -0.368 360.0 7.9-150.1 64.0 -90.3 -7.5 29.8 40 43 A G S S- 0 0 53 31,-0.3 31,-0.0 2,-0.1 32,-0.0 0.033 80.6-127.5 157.7 -40.3 -91.3 -7.1 26.2 41 44 A V - 0 0 24 -5,-0.1 5,-0.1 1,-0.1 30,-0.0 0.977 34.3-110.4 61.4 87.8 -88.3 -6.2 24.0 42 45 A P > - 0 0 79 0, 0.0 4,-1.5 0, 0.0 3,-0.1 -0.119 12.9-142.5 -47.9 134.5 -89.3 -3.0 22.0 43 46 A S H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.788 101.9 63.5 -70.7 -27.2 -89.9 -3.6 18.3 44 47 A T H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 104.3 46.7 -61.1 -43.5 -88.3 -0.2 17.7 45 48 A A H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.881 107.9 57.0 -65.6 -40.1 -85.0 -1.6 19.1 46 49 A I H X S+ 0 0 29 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.944 109.9 43.0 -57.0 -51.9 -85.3 -4.8 17.1 47 50 A R H X S+ 0 0 151 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.939 116.6 48.1 -60.7 -48.2 -85.4 -2.9 13.7 48 51 A E H X S+ 0 0 49 -4,-2.1 4,-0.9 -5,-0.2 3,-0.3 0.930 113.9 45.1 -58.7 -50.0 -82.6 -0.6 14.8 49 52 A I H >< S+ 0 0 0 -4,-3.3 3,-1.8 1,-0.2 4,-0.5 0.953 109.2 56.7 -59.9 -48.3 -80.4 -3.3 16.1 50 53 A S H >< S+ 0 0 44 -4,-2.8 3,-1.3 -5,-0.3 4,-0.3 0.827 98.6 62.2 -52.2 -33.8 -81.1 -5.4 12.9 51 54 A L H >< S+ 0 0 125 -4,-1.6 3,-1.5 -3,-0.3 -1,-0.3 0.841 93.5 64.0 -61.9 -32.4 -79.8 -2.4 10.9 52 55 A L G X< S+ 0 0 21 -3,-1.8 3,-1.0 -4,-0.9 11,-0.4 0.651 81.3 77.8 -68.4 -16.2 -76.4 -2.8 12.5 53 56 A K G < S+ 0 0 53 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.740 94.1 52.3 -64.7 -21.3 -75.9 -6.2 11.0 54 57 A E G < S+ 0 0 135 -3,-1.5 2,-1.9 -4,-0.3 -1,-0.3 0.609 82.8 96.8 -88.7 -13.5 -75.1 -4.3 7.7 55 58 A L < + 0 0 17 -3,-1.0 2,-0.5 -4,-0.3 8,-0.2 -0.528 55.0 162.8 -79.6 77.4 -72.5 -2.1 9.4 56 59 A N + 0 0 72 -2,-1.9 5,-0.1 6,-0.1 -3,-0.0 -0.865 4.1 141.8-107.3 127.2 -69.4 -4.1 8.5 57 60 A H > - 0 0 42 -2,-0.5 3,-1.9 3,-0.5 5,-0.0 -0.973 57.6-110.6-155.4 149.4 -65.8 -2.8 8.7 58 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.718 118.0 47.3 -59.5 -21.9 -62.4 -4.3 9.7 59 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.115 98.9 81.5-107.8 23.2 -62.3 -2.2 12.9 60 63 A I B < S-e 140 0B 8 -3,-1.9 -3,-0.5 79,-0.3 2,-0.3 -0.996 86.9-116.0-128.2 125.3 -65.8 -2.8 14.0 61 64 A V - 0 0 9 79,-2.6 81,-0.2 -2,-0.4 82,-0.2 -0.441 41.6-116.8 -59.5 118.3 -66.8 -6.0 15.8 62 65 A K - 0 0 77 -2,-0.3 16,-2.3 1,-0.1 2,-0.9 -0.363 13.6-142.2 -66.0 129.8 -69.2 -7.8 13.5 63 66 A L E -D 77 0A 8 -11,-0.4 14,-0.3 -8,-0.2 3,-0.1 -0.839 22.6-178.5 -89.7 108.0 -72.7 -8.2 14.7 64 67 A L E - 0 0 35 12,-2.2 2,-0.3 -2,-0.9 13,-0.2 0.874 57.5 -0.9 -77.9 -40.9 -73.5 -11.7 13.3 65 68 A D E -D 76 0A 84 11,-1.6 11,-3.0 2,-0.0 2,-0.5 -0.998 44.8-150.8-156.1 151.0 -77.1 -12.1 14.4 66 69 A V E -D 75 0A 23 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.991 26.7-164.9-118.8 113.4 -79.9 -10.6 16.3 67 70 A I E +D 74 0A 43 7,-2.8 7,-2.2 -2,-0.5 2,-0.7 -0.909 15.3 176.7-111.9 113.8 -82.0 -13.3 17.8 68 71 A H E +D 73 0A 77 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.864 29.5 136.6-114.2 91.5 -85.5 -12.5 19.0 69 72 A T E > +D 72 0A 77 3,-1.4 3,-3.0 -2,-0.7 -2,-0.1 -0.950 63.3 16.7-135.0 154.4 -87.0 -15.8 20.1 70 73 A E T 3 S- 0 0 164 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.809 128.6 -71.3 52.8 28.1 -89.0 -16.8 23.2 71 74 A N T 3 S+ 0 0 121 1,-0.2 2,-0.3 -3,-0.1 -31,-0.3 0.763 111.4 120.4 58.4 26.8 -89.5 -13.1 23.5 72 75 A K E < - D 0 69A 118 -3,-3.0 -3,-1.4 -33,-0.1 2,-0.5 -0.865 57.7-135.3-117.9 153.0 -85.9 -12.8 24.5 73 76 A L E +CD 35 68A 5 -38,-0.5 -38,-3.3 -2,-0.3 2,-0.4 -0.941 22.8 174.1-117.2 125.7 -83.1 -10.9 22.8 74 77 A Y E -CD 34 67A 48 -7,-2.2 -7,-2.8 -2,-0.5 2,-0.5 -0.968 16.1-154.3-126.1 140.7 -79.6 -12.2 22.1 75 78 A L E -CD 33 66A 0 -42,-2.4 -42,-2.8 -2,-0.4 2,-0.6 -0.968 8.2-155.6-115.8 129.8 -76.9 -10.5 20.1 76 79 A V E -CD 32 65A 4 -11,-3.0 -12,-2.2 -2,-0.5 -11,-1.6 -0.942 17.9-179.3-108.6 121.3 -74.3 -12.7 18.5 77 80 A F E -CD 31 63A 20 -46,-2.9 -46,-2.6 -2,-0.6 -14,-0.2 -0.824 36.1 -96.7-118.2 157.4 -70.9 -11.0 17.8 78 81 A E E -C 30 0A 47 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.385 51.5-116.5 -65.1 150.1 -67.7 -12.1 16.3 79 82 A F - 0 0 43 -50,-0.7 2,-0.4 -49,-0.0 -1,-0.1 -0.775 31.5-178.7 -99.7 136.5 -65.3 -13.2 19.0 80 83 A L - 0 0 17 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.980 27.2-131.6-128.0 143.7 -61.9 -11.5 20.0 81 84 A H S S+ 0 0 108 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.618 77.4 21.8 -71.9 -20.5 -59.8 -12.8 22.8 82 85 A Q E -F 132 0B 16 50,-1.2 50,-2.7 211,-0.0 2,-0.3 -0.994 60.9-136.9-150.1 155.4 -58.9 -9.7 24.8 83 86 A D E > -F 131 0B 47 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.732 30.7-114.3-108.8 161.3 -60.1 -6.2 25.5 84 87 A L H > S+ 0 0 0 46,-2.7 4,-2.9 43,-1.1 44,-0.2 0.782 112.2 61.0 -66.3 -28.6 -57.9 -3.1 25.7 85 88 A K H > S+ 0 0 99 42,-0.7 4,-2.0 45,-0.3 -1,-0.2 0.955 109.0 42.5 -64.0 -47.1 -58.6 -2.6 29.4 86 89 A K H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.911 114.2 52.3 -64.1 -40.5 -57.1 -5.9 30.2 87 90 A F H X S+ 0 0 8 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.917 108.5 50.2 -62.7 -43.2 -54.2 -5.3 27.8 88 91 A M H < S+ 0 0 19 -4,-2.9 4,-0.3 2,-0.2 -1,-0.2 0.916 111.0 48.5 -62.7 -40.6 -53.4 -1.9 29.4 89 92 A D H >< S+ 0 0 100 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.936 111.7 50.0 -63.1 -44.6 -53.3 -3.5 32.8 90 93 A A H 3< S+ 0 0 76 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.764 115.1 44.4 -63.3 -25.5 -51.1 -6.2 31.5 91 94 A S T 3X S+ 0 0 16 -4,-1.6 4,-3.7 -5,-0.2 3,-0.3 0.316 81.9 107.6-101.8 6.9 -48.8 -3.6 30.0 92 95 A A T <4 S+ 0 0 46 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.809 74.1 53.4 -54.3 -39.6 -48.8 -1.3 33.0 93 96 A L T 4 S+ 0 0 171 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.900 129.2 14.9 -65.7 -43.1 -45.2 -2.0 34.1 94 97 A T T 4 S- 0 0 113 -3,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.650 104.3-128.8-106.8 -22.1 -43.6 -1.2 30.8 95 98 A G < - 0 0 7 -4,-3.7 -3,-0.1 -7,-0.2 99,-0.1 0.201 33.5 -69.5 85.1 149.6 -46.4 0.7 28.9 96 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.612 62.7-106.4 -73.0 130.3 -47.7 -0.0 25.5 97 100 A P >> - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.311 24.5-118.7 -60.1 142.8 -45.1 1.0 23.0 98 101 A L H 3> S+ 0 0 63 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.841 112.2 57.8 -50.7 -41.5 -45.8 4.2 21.1 99 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.871 111.2 43.0 -59.3 -34.6 -45.9 2.5 17.7 100 103 A L H <> S+ 0 0 4 -3,-1.2 4,-2.7 2,-0.2 5,-0.2 0.854 111.5 53.0 -78.8 -36.6 -48.6 0.2 18.9 101 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.955 112.8 46.8 -60.1 -46.9 -50.5 3.0 20.7 102 105 A K H X S+ 0 0 12 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.905 111.1 50.2 -62.4 -44.0 -50.4 4.9 17.3 103 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.944 113.3 46.4 -60.5 -46.8 -51.5 1.9 15.3 104 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.925 112.7 48.6 -62.6 -46.0 -54.5 1.3 17.6 105 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.937 112.2 50.0 -59.4 -45.2 -55.5 5.0 17.7 106 109 A F H X S+ 0 0 53 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.907 112.8 46.3 -59.2 -44.5 -55.3 5.1 13.8 107 110 A Q H X S+ 0 0 14 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.899 111.3 51.3 -67.1 -40.1 -57.4 1.9 13.5 108 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.882 108.9 51.6 -65.4 -36.9 -60.0 3.1 16.0 109 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.879 107.6 52.4 -67.6 -35.6 -60.3 6.4 14.1 110 113 A Q H X S+ 0 0 63 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.920 110.4 49.1 -64.6 -39.9 -60.9 4.5 10.8 111 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.912 113.0 45.9 -63.9 -45.0 -63.6 2.6 12.6 112 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.927 109.6 54.8 -64.7 -44.4 -65.2 5.8 13.9 113 116 A A H X S+ 0 0 25 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.913 110.8 46.8 -56.3 -40.5 -64.9 7.5 10.5 114 117 A F H X S+ 0 0 43 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.963 115.0 44.2 -65.1 -52.1 -66.8 4.5 9.0 115 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.8 0.925 114.7 49.4 -59.5 -45.4 -69.6 4.5 11.6 116 119 A H H ><5S+ 0 0 29 -4,-3.2 3,-1.6 1,-0.3 -1,-0.2 0.850 106.0 55.3 -65.5 -34.3 -70.0 8.2 11.6 117 120 A S H 3<5S+ 0 0 88 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.726 109.7 49.4 -70.5 -18.2 -70.2 8.4 7.8 118 121 A H T <<5S- 0 0 103 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.183 121.5-110.9-101.7 13.5 -73.1 5.9 8.2 119 122 A R T < 5S+ 0 0 231 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.828 74.3 134.8 60.5 36.6 -74.7 8.0 10.8 120 123 A V < - 0 0 22 -5,-2.7 2,-0.3 -8,-0.2 -1,-0.2 -0.970 34.5-167.5-118.0 129.3 -74.0 5.5 13.6 121 124 A L - 0 0 29 -2,-0.5 23,-1.8 1,-0.2 26,-0.3 -0.781 17.5-155.4-110.2 155.4 -72.7 6.7 17.0 122 125 A H - 0 0 4 -2,-0.3 24,-0.5 21,-0.2 25,-0.2 0.897 16.5-177.4 -91.2 -56.9 -71.2 4.7 19.8 123 126 A R S S+ 0 0 56 56,-0.1 20,-0.1 55,-0.1 -1,-0.1 0.132 71.1 55.0 81.4 -17.8 -71.9 7.0 22.8 124 127 A D + 0 0 24 18,-0.1 2,-0.1 42,-0.1 5,-0.1 -0.117 66.9 163.3-140.2 44.4 -70.2 4.8 25.3 125 128 A L + 0 0 1 40,-0.1 40,-0.1 56,-0.1 17,-0.0 -0.383 9.9 151.4 -65.5 139.9 -66.7 4.0 24.2 126 129 A K > - 0 0 7 -2,-0.1 3,-2.1 38,-0.0 4,-0.3 -0.957 59.7 -95.7-161.6 159.1 -64.3 2.7 26.9 127 130 A P G > S+ 0 0 3 0, 0.0 3,-1.5 0, 0.0 -43,-1.1 0.838 122.2 59.5 -52.1 -35.6 -61.2 0.5 26.9 128 131 A Q G 3 S+ 0 0 73 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.704 102.0 54.4 -67.9 -19.4 -63.4 -2.5 27.8 129 132 A N G < S+ 0 0 10 -3,-2.1 12,-2.6 -5,-0.1 2,-0.6 0.329 91.1 85.8 -93.6 4.2 -65.3 -2.0 24.5 130 133 A L E < - G 0 140B 1 -3,-1.5 -46,-2.7 -4,-0.3 2,-0.4 -0.933 66.7-162.2-109.8 115.7 -62.2 -2.0 22.4 131 134 A L E -FG 83 139B 34 8,-2.7 8,-2.8 -2,-0.6 2,-0.3 -0.794 5.2-166.6-104.4 143.0 -61.2 -5.6 21.4 132 135 A I E -FG 82 138B 0 -50,-2.7 -50,-1.2 -2,-0.4 2,-0.2 -0.864 3.9-162.8-126.2 157.2 -57.8 -6.8 20.1 133 136 A N > - 0 0 36 4,-1.5 3,-1.1 -2,-0.3 -53,-0.1 -0.704 40.9 -94.7-126.7-179.1 -56.4 -9.9 18.5 134 137 A T T 3 S+ 0 0 73 1,-0.2 159,-0.1 -2,-0.2 -2,-0.0 0.645 113.8 69.0 -71.6 -16.1 -52.9 -11.4 17.9 135 138 A E T 3 S- 0 0 144 155,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.453 117.3-102.1 -83.2 -3.4 -52.6 -9.8 14.4 136 139 A G S < S+ 0 0 0 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.584 78.8 134.6 92.5 8.8 -52.3 -6.3 15.7 137 140 A A - 0 0 11 151,-0.1 -4,-1.5 -30,-0.0 2,-0.4 -0.596 35.3-166.4 -90.4 153.5 -56.0 -5.4 14.9 138 141 A I E - G 0 132B 0 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.993 8.1-166.4-137.3 140.3 -58.3 -3.5 17.3 139 142 A K E - G 0 131B 29 -8,-2.8 -8,-2.7 -2,-0.4 2,-0.4 -0.975 21.5-120.6-134.1 147.2 -62.0 -3.2 16.9 140 143 A L E -eG 60 130B 1 -81,-2.7 -79,-2.6 -2,-0.4 2,-0.3 -0.708 30.0-158.2 -85.2 129.9 -64.8 -1.1 18.3 141 144 A A + 0 0 9 -12,-2.6 -79,-0.1 -2,-0.4 -12,-0.0 -0.864 64.2 21.1-112.8 145.3 -67.6 -3.2 20.0 142 145 A D S > S+ 0 0 24 -2,-0.3 3,-1.2 1,-0.2 4,-0.5 0.682 70.5 170.8 77.0 24.3 -71.2 -2.1 20.7 143 146 A F T 3 + 0 0 13 -3,-0.3 -21,-0.2 1,-0.2 -1,-0.2 -0.439 69.4 8.6 -65.0 138.5 -71.6 0.6 18.1 144 147 A G T 3> S+ 0 0 7 -23,-1.8 4,-2.0 -2,-0.1 -1,-0.2 0.273 95.1 108.3 78.9 -11.4 -75.2 1.8 17.8 145 148 A L H <> S+ 0 0 2 -3,-1.2 4,-2.7 1,-0.2 5,-0.2 0.866 72.9 58.2 -67.9 -35.0 -76.5 -0.1 20.8 146 149 A A H 4 S+ 0 0 10 -24,-0.5 4,-0.5 -4,-0.5 -1,-0.2 0.912 111.7 39.8 -60.7 -45.8 -77.0 3.0 23.0 147 150 A R H >4 S+ 0 0 152 -26,-0.3 3,-0.7 2,-0.2 -2,-0.2 0.949 117.7 47.9 -68.6 -49.9 -79.3 4.7 20.5 148 151 A A H 3< S+ 0 0 7 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.870 121.5 35.7 -59.4 -40.8 -81.2 1.5 19.6 149 152 A F T 3< S- 0 0 47 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.414 102.2-149.8 -94.0 0.3 -81.7 0.5 23.2 150 153 A G < + 0 0 31 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 -0.086 59.5 25.3 62.0-165.6 -82.1 4.0 24.5 151 154 A V - 0 0 114 1,-0.1 -4,-0.0 -4,-0.1 0, 0.0 0.159 63.4-155.6 -29.4 131.8 -81.1 5.1 28.0 152 155 A P + 0 0 74 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.965 25.3 162.3 -79.5 -60.3 -78.3 2.9 29.5 153 156 A V - 0 0 85 8,-0.0 8,-0.3 0, 0.0 2,-0.2 -0.557 62.0 -33.0 75.4 -84.8 -78.8 3.3 33.3 154 157 A R - 0 0 97 -2,-1.7 6,-0.1 1,-0.2 0, 0.0 -0.782 59.1 -96.0-149.4-168.1 -76.8 0.2 34.4 155 158 A T - 0 0 10 4,-0.5 -1,-0.2 -2,-0.2 -119,-0.1 0.937 59.8 -94.7 -82.9 -82.5 -75.8 -3.4 33.5 156 159 A Y S S+ 0 0 79 -144,-0.1 -142,-0.1 -140,-0.1 -139,-0.1 0.214 113.3 62.5 176.8 -2.0 -78.1 -5.8 35.3 157 160 A T S S- 0 0 49 -145,-0.1 -141,-0.0 -141,-0.1 -145,-0.0 -0.133 117.7 -93.8-129.1 34.2 -76.2 -6.6 38.5 158 161 A H + 0 0 170 1,-0.2 2,-0.3 2,-0.0 -4,-0.0 0.838 68.4 167.7 56.8 36.4 -76.1 -3.1 40.1 159 162 A E - 0 0 59 1,-0.1 2,-0.5 -145,-0.0 -4,-0.5 -0.604 40.4-107.9 -82.2 142.5 -72.7 -2.5 38.5 160 163 A V - 0 0 118 -2,-0.3 2,-0.1 -6,-0.1 -6,-0.1 -0.590 29.8-123.8 -77.9 119.4 -71.5 1.1 38.6 161 164 A V - 0 0 53 -2,-0.5 2,-0.5 -8,-0.3 -1,-0.1 -0.347 24.3-124.7 -60.2 129.8 -71.5 2.9 35.2 162 165 A T + 0 0 42 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.676 28.6 178.9 -81.9 126.7 -68.1 4.3 34.3 163 166 A L > + 0 0 15 -2,-0.5 3,-1.9 39,-0.4 -1,-0.1 0.439 51.6 104.8-103.5 -2.9 -68.2 8.0 33.6 164 167 A W T 3 S+ 0 0 89 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.700 85.6 39.2 -53.8 -27.7 -64.5 8.4 32.9 165 168 A Y T 3 S+ 0 0 18 -3,-0.2 2,-0.3 -40,-0.1 -1,-0.3 0.302 84.1 124.4-108.6 7.7 -64.9 8.7 29.1 166 169 A R < - 0 0 32 -3,-1.9 -42,-0.1 1,-0.1 16,-0.1 -0.527 61.9-119.4 -76.9 131.1 -68.1 10.8 28.9 167 170 A A >> - 0 0 1 -2,-0.3 4,-1.8 14,-0.1 3,-1.0 -0.295 22.6-116.8 -64.1 147.9 -68.0 14.0 26.9 168 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 6,-0.2 0.837 112.2 61.2 -59.2 -32.0 -68.7 17.3 28.8 169 172 A E H 34>S+ 0 0 6 2,-0.2 5,-2.5 1,-0.2 -3,-0.0 0.847 105.7 48.3 -65.4 -29.9 -71.8 18.1 26.7 170 173 A I H X45S+ 0 0 28 -3,-1.0 3,-1.7 1,-0.2 -1,-0.2 0.930 111.4 49.6 -73.0 -43.2 -73.4 14.8 28.0 171 174 A L H 3<5S+ 0 0 14 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.802 106.5 56.9 -64.0 -29.3 -72.4 15.7 31.5 172 175 A L T 3<5S- 0 0 0 -4,-2.0 60,-3.1 -5,-0.2 61,-0.4 0.321 123.7-103.4 -86.2 9.2 -73.9 19.1 31.1 173 176 A G T < 5 + 0 0 18 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.605 58.5 165.0 84.8 13.3 -77.3 17.6 30.2 174 177 A C < - 0 0 40 -5,-2.5 -1,-0.2 -6,-0.2 56,-0.0 -0.421 24.8-156.6 -64.1 137.8 -77.3 18.0 26.4 175 178 A K S S+ 0 0 149 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 0.638 72.7 67.3 -92.4 -15.4 -80.1 15.8 25.0 176 179 A Y S S- 0 0 197 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.926 70.4-155.5-112.1 116.6 -78.7 15.5 21.5 177 180 A Y - 0 0 76 -2,-0.6 2,-0.3 2,-0.0 -2,-0.0 -0.556 9.2-165.5 -86.1 152.9 -75.5 13.5 21.0 178 181 A S > - 0 0 47 -2,-0.2 3,-2.0 -55,-0.0 4,-0.4 -0.820 41.8 -93.4-129.2 171.9 -73.2 14.1 18.0 179 182 A T T >> S+ 0 0 60 1,-0.3 3,-1.3 -2,-0.3 4,-1.0 0.744 115.7 77.1 -54.6 -26.0 -70.3 12.2 16.6 180 183 A A H 3> S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.754 78.6 68.8 -59.6 -26.7 -68.1 14.4 18.7 181 184 A V H <> S+ 0 0 1 -3,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.857 100.3 49.3 -62.8 -30.2 -68.9 12.4 21.8 182 185 A D H <> S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.4 -1,-0.2 0.854 107.2 52.9 -76.4 -33.5 -67.0 9.5 20.4 183 186 A I H X S+ 0 0 1 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.892 108.9 51.5 -67.2 -39.2 -63.9 11.5 19.5 184 187 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.959 110.3 47.6 -61.8 -51.9 -63.9 12.8 23.1 185 188 A S H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.905 112.2 50.0 -56.9 -42.4 -64.0 9.3 24.6 186 189 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.868 107.4 53.9 -66.3 -36.0 -61.2 8.1 22.2 187 190 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 76,-0.3 -1,-0.2 0.933 107.7 50.7 -62.5 -43.0 -59.1 11.1 23.2 188 191 A C H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 11,-0.4 0.891 112.4 47.1 -60.4 -37.7 -59.5 10.1 26.9 189 192 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.897 108.6 54.1 -71.6 -39.8 -58.4 6.5 25.9 190 193 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.948 110.0 48.1 -58.0 -48.4 -55.4 7.7 23.9 191 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.878 110.2 52.1 -60.6 -40.6 -54.2 9.7 26.9 192 195 A E H X S+ 0 0 23 -4,-1.7 4,-2.2 1,-0.2 5,-0.4 0.891 107.1 51.7 -66.4 -40.5 -54.7 6.7 29.2 193 196 A M H < S+ 0 0 3 -4,-2.4 -97,-0.5 2,-0.2 -1,-0.2 0.914 114.3 45.6 -61.6 -38.4 -52.6 4.4 26.9 194 197 A V H < S+ 0 0 19 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.952 124.7 27.8 -70.7 -50.0 -49.8 7.0 26.9 195 198 A T H < S- 0 0 44 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.659 95.6-130.0 -88.4 -18.5 -49.7 7.8 30.6 196 199 A R S < S+ 0 0 131 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.1 0.756 80.1 90.6 70.0 29.2 -50.9 4.4 32.0 197 200 A R S S- 0 0 199 -5,-0.4 -2,-0.2 -6,-0.3 -1,-0.2 -0.980 88.8 -98.5-149.5 138.8 -53.4 6.2 34.2 198 201 A A - 0 0 16 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.314 28.5-140.7 -58.2 142.7 -57.0 7.2 33.4 199 202 A L S S+ 0 0 27 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.949 90.6 13.4 -71.0 -49.8 -57.2 10.9 32.4 200 203 A F + 0 0 3 -36,-0.3 2,-1.9 2,-0.1 -1,-0.2 -0.722 69.5 178.5-129.8 78.7 -60.5 11.9 34.2 201 204 A P + 0 0 36 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.412 16.1 177.0 -83.9 68.2 -61.4 9.1 36.7 202 205 A G - 0 0 3 -2,-1.9 -39,-0.4 1,-0.1 -38,-0.2 -0.342 24.9-161.7 -70.0 148.1 -64.5 10.7 38.1 203 206 A D S S+ 0 0 137 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.273 77.5 23.5-114.4 14.1 -66.6 8.8 40.7 204 207 A S S > S- 0 0 46 1,-0.1 4,-2.4 -41,-0.0 5,-0.2 -0.942 90.1-100.4-162.4 163.3 -69.8 10.8 40.3 205 208 A E H > S+ 0 0 122 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.928 123.8 42.6 -61.9 -40.7 -71.2 13.0 37.5 206 209 A I H > S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.864 112.7 52.0 -73.7 -34.3 -70.1 16.2 39.2 207 210 A D H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 110.1 51.5 -67.4 -36.2 -66.7 14.8 40.1 208 211 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.952 111.9 45.5 -62.9 -50.3 -66.3 13.8 36.5 209 212 A L H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.928 114.1 47.9 -60.5 -45.6 -67.1 17.2 35.3 210 213 A F H X S+ 0 0 34 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.827 106.8 56.0 -69.6 -28.7 -64.9 19.0 37.8 211 214 A R H X S+ 0 0 92 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.917 110.3 47.1 -65.9 -39.6 -61.9 16.7 37.0 212 215 A I H >X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 3,-0.7 0.957 113.3 48.3 -63.4 -47.3 -62.3 17.8 33.4 213 216 A F H 3X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.874 106.8 56.1 -61.4 -38.3 -62.6 21.5 34.4 214 217 A R H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.791 118.0 34.1 -66.3 -25.9 -59.5 21.2 36.7 215 218 A T H << S+ 0 0 31 -4,-1.1 28,-2.7 -3,-0.7 -2,-0.2 0.884 130.3 28.5 -94.8 -48.2 -57.4 20.0 33.8 216 219 A L H < S- 0 0 6 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.502 115.0-103.0 -94.2 -2.6 -58.8 21.8 30.7 217 220 A G < - 0 0 6 -4,-1.8 24,-0.2 24,-0.4 -1,-0.2 0.172 45.4 -68.8 92.9 143.7 -60.1 24.9 32.5 218 221 A T - 0 0 19 22,-2.4 24,-0.1 -4,-0.1 -8,-0.0 -0.534 64.3-116.5 -66.3 125.7 -63.7 25.7 33.4 219 222 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.279 37.7-179.4 -66.4 151.2 -65.3 26.3 30.0 220 223 A D > - 0 0 74 -3,-0.0 4,-2.4 7,-0.0 7,-0.2 -0.808 46.3 -86.0-138.0 178.8 -66.8 29.7 29.2 221 224 A E T 4 S+ 0 0 81 -2,-0.2 6,-0.0 1,-0.2 5,-0.0 0.712 120.2 62.0 -63.9 -20.7 -68.6 31.4 26.3 222 225 A V T 4 S+ 0 0 123 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.980 117.1 24.6 -70.3 -54.7 -65.3 32.2 24.6 223 226 A V T 4 S+ 0 0 69 1,-0.2 44,-0.5 -3,-0.1 -2,-0.2 0.751 137.6 31.2 -83.2 -22.2 -64.0 28.7 24.1 224 227 A W S >< S- 0 0 9 -4,-2.4 3,-2.4 42,-0.1 4,-0.3 -0.660 78.5-152.4-138.5 82.7 -67.5 27.1 24.1 225 228 A P T 3 S+ 0 0 73 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.287 85.6 18.5 -54.7 126.9 -70.3 29.4 22.7 226 229 A G T > S+ 0 0 33 41,-0.0 3,-1.6 4,-0.0 4,-0.2 0.315 85.8 120.3 94.5 -8.1 -73.6 28.4 24.3 227 230 A V G X + 0 0 0 -3,-2.4 3,-1.5 1,-0.3 6,-0.1 0.841 68.9 58.8 -60.1 -35.6 -72.1 26.5 27.3 228 231 A T G 3 S+ 0 0 61 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.540 103.9 54.0 -73.5 -3.6 -73.7 28.7 29.9 229 232 A S G < S+ 0 0 101 -3,-1.6 -1,-0.3 5,-0.1 -2,-0.2 0.317 79.1 123.7-108.1 3.9 -77.1 27.8 28.5 230 233 A M S X S- 0 0 35 -3,-1.5 3,-1.7 -4,-0.2 -57,-0.1 -0.376 75.7-109.0 -65.6 147.6 -76.6 24.0 28.8 231 234 A P T 3 S+ 0 0 61 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.842 113.8 29.9 -44.4 -49.1 -79.3 22.2 30.9 232 235 A D T 3 S+ 0 0 79 -60,-3.1 2,-0.2 2,-0.1 -59,-0.2 0.264 87.7 123.5-102.7 14.1 -77.1 21.4 33.8 233 236 A Y < - 0 0 34 -3,-1.7 -5,-0.0 -61,-0.4 3,-0.0 -0.513 42.0-164.8 -72.4 141.2 -74.7 24.3 33.7 234 237 A K > - 0 0 105 -2,-0.2 3,-2.3 1,-0.1 -2,-0.1 -0.997 24.9-141.5-129.6 129.9 -74.6 26.3 36.9 235 238 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 101.6 70.1 -59.7 -18.8 -73.0 29.8 37.2 236 239 A S T 3 + 0 0 103 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.478 67.4 122.7 -79.1 -1.7 -71.8 28.6 40.6 237 240 A F S < S- 0 0 14 -3,-2.3 -19,-0.0 1,-0.1 -4,-0.0 -0.359 73.4-107.6 -57.9 137.3 -69.3 26.1 39.0 238 241 A P - 0 0 59 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.324 29.0-123.0 -64.3 153.6 -65.8 27.0 40.3 239 242 A K - 0 0 178 -3,-0.1 2,-0.3 -22,-0.0 -25,-0.0 -0.851 33.0-176.8-106.4 103.9 -63.5 28.6 37.7 240 243 A W - 0 0 77 -2,-0.8 -22,-2.4 -27,-0.0 2,-0.2 -0.737 24.4-121.2 -97.9 146.1 -60.3 26.7 37.2 241 244 A A - 0 0 74 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.591 34.9-102.1 -84.2 148.3 -57.5 27.7 34.9 242 245 A R - 0 0 122 -26,-0.3 2,-0.2 -2,-0.2 -26,-0.2 -0.404 32.1-138.7 -69.8 144.0 -56.4 25.4 32.1 243 246 A Q - 0 0 67 -28,-2.7 2,-0.3 -2,-0.1 -1,-0.1 -0.648 25.9 -99.7 -99.2 160.2 -53.3 23.3 32.5 244 247 A D >> - 0 0 105 -2,-0.2 3,-2.1 1,-0.1 4,-0.9 -0.601 21.3-131.7 -81.8 139.2 -50.7 22.7 29.8 245 248 A F H 3> S+ 0 0 19 1,-0.3 4,-2.4 -2,-0.3 -1,-0.1 0.779 104.9 72.6 -59.2 -25.8 -50.9 19.4 27.9 246 249 A S H 34 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.818 104.3 40.2 -60.1 -25.8 -47.2 19.1 28.5 247 250 A K H <4 S+ 0 0 133 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.679 113.4 55.1 -93.9 -19.9 -48.1 18.3 32.1 248 251 A V H < S+ 0 0 30 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.887 122.0 17.6 -83.1 -40.9 -51.2 16.2 31.3 249 252 A V S >< S- 0 0 0 -4,-2.4 3,-2.5 3,-0.1 -1,-0.2 -0.209 90.7-160.6-126.6 48.5 -49.8 13.5 29.0 250 253 A P T 3 + 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.416 68.0 20.7 -66.7 147.3 -46.0 13.5 29.5 251 254 A P T 3 S+ 0 0 124 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 -0.727 87.1 123.7-103.2 38.8 -43.9 12.4 27.7 252 255 A L < - 0 0 8 -3,-2.5 -3,-0.1 1,-0.1 -61,-0.0 -0.324 62.7-115.5 -57.9 138.5 -46.0 12.4 24.6 253 256 A D > - 0 0 59 1,-0.1 4,-2.7 -3,-0.1 3,-0.3 -0.178 29.4 -96.3 -72.1 166.9 -44.5 14.5 21.7 254 257 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.772 123.5 56.1 -57.9 -30.7 -46.0 17.7 20.2 255 258 A D H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.944 112.5 43.5 -65.0 -45.9 -47.6 15.8 17.3 256 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.924 115.1 47.4 -63.2 -47.1 -49.4 13.6 19.9 257 260 A R H X S+ 0 0 62 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.883 110.6 53.7 -62.9 -37.9 -50.3 16.5 22.2 258 261 A S H X S+ 0 0 38 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.957 111.6 44.0 -61.9 -49.3 -51.6 18.5 19.2 259 262 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.2 0.935 113.7 50.5 -61.9 -45.0 -53.9 15.7 18.1 260 263 A L H >X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-0.6 0.931 106.7 55.0 -59.9 -43.8 -55.1 15.1 21.6 261 264 A S H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.873 108.5 49.3 -58.6 -34.8 -55.8 18.8 22.2 262 265 A Q H >< S+ 0 0 65 -4,-1.7 10,-2.3 -3,-0.2 3,-0.6 0.782 109.2 51.4 -75.9 -24.2 -58.0 18.7 19.1 263 266 A M H << S+ 0 0 0 -4,-1.5 -76,-0.3 -3,-0.6 -1,-0.2 0.675 112.7 47.6 -82.7 -17.3 -59.9 15.6 20.3 264 267 A L T 3< S+ 0 0 3 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.103 73.9 138.5-110.8 19.7 -60.6 17.2 23.6 265 268 A H < - 0 0 66 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.426 54.4-133.7 -61.6 140.6 -61.8 20.6 22.5 266 269 A Y S S+ 0 0 15 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.945 88.8 74.3 -62.8 -50.1 -64.8 21.6 24.7 267 270 A D S >> S- 0 0 15 -44,-0.5 3,-2.0 1,-0.2 4,-1.6 -0.546 75.9-147.9 -69.3 115.8 -67.1 22.8 21.9 268 271 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.817 99.1 57.4 -53.6 -30.8 -68.3 19.6 20.1 269 272 A N T 34 S+ 0 0 147 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.710 108.0 44.5 -75.3 -19.6 -68.3 21.6 16.9 270 273 A K T <4 S+ 0 0 98 -3,-2.0 -1,-0.2 2,-0.1 3,-0.1 0.669 89.2 108.4 -94.7 -18.8 -64.6 22.5 17.2 271 274 A R S < S- 0 0 13 -4,-1.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.310 81.4-103.8 -60.6 135.5 -63.7 18.9 18.2 272 275 A I - 0 0 20 -10,-2.3 2,-0.1 -13,-0.2 -1,-0.1 -0.247 32.4-123.2 -61.7 145.7 -61.8 17.2 15.3 273 276 A S > - 0 0 55 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.491 21.0-114.2 -84.8 163.8 -63.6 14.6 13.3 274 277 A A H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -161,-0.1 0.935 118.2 52.0 -62.6 -42.9 -62.4 11.1 12.9 275 278 A K H > S+ 0 0 163 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.922 112.3 44.3 -58.3 -47.3 -61.7 11.7 9.2 276 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.889 108.9 57.1 -66.7 -39.7 -59.7 14.8 9.9 277 280 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 6,-0.2 0.841 97.1 63.4 -60.7 -33.3 -57.8 13.2 12.7 278 281 A L H 3< S+ 0 0 42 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.784 102.4 50.9 -62.1 -26.1 -56.6 10.4 10.4 279 282 A A T << S+ 0 0 84 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.458 82.7 122.7 -90.4 -3.1 -54.8 13.1 8.4 280 283 A H S X S- 0 0 18 -3,-1.6 3,-2.3 -4,-0.3 4,-0.1 -0.305 74.6-118.7 -62.8 140.7 -53.0 14.6 11.4 281 284 A P G > S+ 0 0 80 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.715 106.7 79.5 -53.3 -20.9 -49.2 14.6 11.2 282 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.859 93.0 50.4 -55.8 -31.8 -49.1 12.4 14.3 283 286 A F G X S+ 0 0 11 -3,-2.3 3,-1.6 -6,-0.2 -1,-0.3 0.306 75.5 107.2 -91.3 10.0 -49.8 9.5 11.9 284 287 A Q T < S+ 0 0 161 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.888 92.1 30.7 -54.0 -42.5 -47.1 10.3 9.4 285 288 A D T 3 S+ 0 0 86 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.064 87.1 148.7-107.3 25.6 -45.1 7.3 10.5 286 289 A V < + 0 0 40 -3,-1.6 2,-0.2 -184,-0.1 -186,-0.1 -0.259 15.9 167.9 -63.1 145.5 -47.9 4.9 11.6 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.777 38.8-108.4-142.1-176.9 -47.3 1.2 11.2 288 291 A K - 0 0 133 -2,-0.2 -188,-0.1 -185,-0.1 -151,-0.1 -0.721 38.1-172.5-127.7 83.2 -49.0 -2.0 12.3 289 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.252 27.7-112.4 -71.9 161.8 -46.9 -3.8 15.0 290 293 A V - 0 0 118 -154,-0.0 2,-0.1 1,-0.0 -155,-0.1 -0.820 34.4-134.7 -92.6 125.6 -47.6 -7.2 16.5 291 294 A P - 0 0 9 0, 0.0 2,-1.3 0, 0.0 -155,-0.1 -0.493 16.0-115.2 -83.5 156.6 -48.7 -7.0 20.2 292 295 A H + 0 0 169 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.762 48.0 177.0 -88.5 94.3 -47.3 -9.2 22.9 293 296 A L - 0 0 28 -2,-1.3 2,-0.6 -159,-0.1 -159,-0.0 -0.901 19.7-165.7-109.4 125.2 -50.5 -11.0 23.7 294 297 A R 0 0 216 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.946 360.0 360.0-107.4 118.5 -50.7 -13.8 26.3 295 298 A L 0 0 142 -2,-0.6 -1,-0.1 -213,-0.0 -2,-0.0 0.706 360.0 360.0-108.7 360.0 -54.0 -15.6 26.1