==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-10 3PXQ . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,E.SCHONBRUNN . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 61.4 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 12.8 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 . 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 2 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 -3 A S 0 0 157 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 127.8 117.4 107.1 45.2 2 -2 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 69,-0.1 0.638 360.0-141.8 -68.1 166.2 119.2 105.2 44.3 3 -1 A E - 0 0 43 -2,-0.2 2,-0.4 67,-0.1 67,-0.0 -0.807 16.6-161.5 -95.4 141.5 116.5 102.7 43.7 4 0 A F > - 0 0 111 -2,-0.4 3,-2.5 1,-0.1 4,-0.3 -0.934 29.2-119.9-122.2 147.7 117.4 99.1 44.6 5 1 A M G > S+ 0 0 32 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.828 115.0 63.7 -55.5 -32.4 115.6 96.0 43.3 6 2 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.699 89.3 69.9 -64.3 -18.8 114.9 95.2 47.0 7 3 A N G < S+ 0 0 40 -3,-2.5 21,-3.0 20,-0.1 2,-0.4 0.591 91.8 74.6 -73.5 -11.7 112.9 98.4 47.0 8 4 A F E < -A 27 0A 14 -3,-2.0 2,-0.6 -4,-0.3 19,-0.2 -0.895 66.4-153.5-112.7 134.0 110.3 96.7 44.8 9 5 A Q E -A 26 0A 103 17,-2.6 17,-2.6 -2,-0.4 2,-0.2 -0.869 26.6-127.6 -97.9 123.9 107.8 94.0 45.7 10 6 A K E +A 25 0A 126 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.546 28.5 178.6 -74.1 138.3 106.9 91.9 42.7 11 7 A V E - 0 0 46 13,-3.3 2,-0.3 1,-0.3 14,-0.2 0.851 54.4 -39.5-102.2 -57.4 103.1 91.7 42.1 12 8 A E E -A 24 0A 113 12,-1.1 12,-3.8 0, 0.0 -1,-0.3 -0.959 60.6 -87.8-170.3 153.9 102.6 89.6 39.0 13 9 A K E -A 23 0A 119 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.495 34.8-176.8 -69.3 136.6 103.9 88.9 35.5 14 10 A I E - 0 0 48 8,-2.8 2,-0.3 1,-0.3 9,-0.2 0.785 53.5 -42.4-102.1 -42.3 102.4 91.3 33.0 15 11 A G E -A 22 0A 27 7,-1.6 7,-2.3 2,-0.0 2,-0.6 -0.972 51.2 -87.6-170.7-174.1 103.9 90.1 29.8 16 12 A E E -A 21 0A 90 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.812 35.6-165.3-119.1 88.2 106.8 88.8 27.6 17 13 A G - 0 0 10 3,-1.3 3,-0.5 -2,-0.6 140,-0.1 -0.252 33.4-112.8 -66.4 161.7 108.9 91.5 26.0 18 14 A T S S+ 0 0 1 1,-0.2 140,-1.6 139,-0.1 139,-0.9 0.799 116.0 28.1 -67.1 -27.5 111.2 90.5 23.2 19 15 A Y S S+ 0 0 51 1,-0.3 21,-0.3 137,-0.3 2,-0.2 0.249 131.7 2.1-117.4 11.5 114.3 91.3 25.3 20 16 A G S S- 0 0 0 -3,-0.5 -3,-1.3 19,-0.1 -1,-0.3 -0.828 71.4 -96.4 169.9 149.6 113.0 90.7 28.8 21 17 A V E -A 16 0A 36 17,-0.4 17,-1.9 -2,-0.2 2,-0.5 -0.454 35.6-142.6 -75.3 149.0 110.1 89.7 31.0 22 18 A V E -AB 15 37A 24 -7,-2.3 -8,-2.8 15,-0.2 -7,-1.6 -0.969 16.8-173.1-120.5 126.5 107.9 92.4 32.5 23 19 A Y E -AB 13 36A 68 13,-2.6 13,-2.7 -2,-0.5 2,-0.4 -0.884 28.0-122.3-116.3 147.2 106.5 92.2 36.0 24 20 A K E +AB 12 35A 38 -12,-3.8 -13,-3.3 -2,-0.3 -12,-1.1 -0.725 44.9 178.2 -80.7 135.3 104.1 94.4 37.7 25 21 A A E -AB 10 34A 0 9,-2.4 9,-2.4 -2,-0.4 2,-0.5 -0.939 25.7-133.7-138.5 161.9 105.9 95.6 40.8 26 22 A R E -AB 9 33A 114 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.7 -0.975 18.5-129.8-121.6 126.2 105.2 97.9 43.8 27 23 A N E > -A 8 0A 13 5,-2.5 4,-2.9 -2,-0.5 3,-0.3 -0.621 17.3-154.9 -71.5 112.1 107.7 100.5 45.0 28 24 A K T 4 S+ 0 0 123 -21,-3.0 -1,-0.2 -2,-0.7 -20,-0.1 0.753 90.2 49.9 -60.7 -25.1 107.8 99.7 48.8 29 25 A L T 4 S+ 0 0 132 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.790 127.1 18.0 -85.4 -33.3 108.8 103.4 49.5 30 26 A T T 4 S- 0 0 92 -3,-0.3 -2,-0.2 2,-0.2 3,-0.1 0.536 91.7-127.0-115.7 -12.0 106.2 105.3 47.5 31 27 A G < + 0 0 51 -4,-2.9 2,-0.3 1,-0.3 -3,-0.1 0.443 59.8 146.5 78.3 -1.5 103.5 102.7 46.9 32 28 A E - 0 0 91 -5,-0.2 -5,-2.5 -6,-0.1 2,-0.3 -0.531 44.9-137.4 -72.1 124.2 103.7 103.5 43.2 33 29 A V E +B 26 0A 45 -2,-0.3 50,-0.6 -7,-0.2 2,-0.3 -0.633 31.5 171.7 -81.6 143.1 103.1 100.5 40.9 34 30 A V E -BC 25 82A 0 -9,-2.4 -9,-2.4 -2,-0.3 2,-0.5 -0.809 35.0-111.3-138.7 177.2 105.5 100.3 38.0 35 31 A A E -BC 24 81A 8 46,-2.7 46,-3.6 -2,-0.3 2,-0.5 -0.988 30.3-160.1-118.3 122.8 106.4 97.8 35.3 36 32 A L E -BC 23 80A 18 -13,-2.7 -13,-2.6 -2,-0.5 2,-0.5 -0.915 5.1-166.8-109.5 127.7 109.8 96.2 35.6 37 33 A K E -BC 22 79A 26 42,-2.4 42,-3.0 -2,-0.5 2,-0.5 -0.959 12.0-148.7-113.4 122.5 111.6 94.7 32.6 38 34 A K E - C 0 78A 101 -17,-1.9 -17,-0.4 -2,-0.5 2,-0.4 -0.794 12.5-171.1 -95.1 129.2 114.6 92.5 33.4 39 35 A I E C 0 77A 30 38,-3.3 38,-2.1 -2,-0.5 -19,-0.1 -0.977 360.0 360.0-119.9 130.2 117.4 92.4 30.8 40 36 A R 0 0 171 -2,-0.4 36,-0.2 -21,-0.3 35,-0.1 -0.779 360.0 360.0 -92.8 360.0 120.2 89.9 31.2 41 ! 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 42 41 A T 0 0 78 0, 0.0 2,-0.3 0, 0.0 112,-0.1 0.000 360.0 360.0 360.0 51.0 126.0 89.4 27.1 43 42 A E + 0 0 186 110,-0.2 2,-0.5 111,-0.1 111,-0.0 -0.968 360.0 22.7-154.6 134.8 129.3 91.3 27.1 44 43 A G - 0 0 73 -2,-0.3 109,-0.1 1,-0.1 0, 0.0 -0.592 66.5-148.3 115.5 -72.5 130.7 94.2 25.1 45 44 A V - 0 0 63 -2,-0.5 108,-0.1 108,-0.2 -1,-0.1 0.914 27.7-108.2 63.0 100.0 127.8 96.3 23.8 46 45 A P >> - 0 0 53 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.202 18.7-120.1 -57.5 144.6 128.7 97.9 20.4 47 46 A S H 3> S+ 0 0 93 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.825 118.2 53.4 -55.0 -34.1 129.3 101.7 20.3 48 47 A T H 3> S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.822 106.1 55.5 -71.1 -29.1 126.5 101.9 17.8 49 48 A A H <> S+ 0 0 2 -3,-0.9 4,-2.5 2,-0.2 3,-0.2 0.967 106.0 47.6 -65.5 -55.6 124.3 100.0 20.3 50 49 A I H X S+ 0 0 86 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.874 110.8 54.3 -54.0 -40.9 124.9 102.5 23.1 51 50 A R H X S+ 0 0 145 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.889 109.0 45.8 -64.0 -41.8 124.1 105.4 20.8 52 51 A E H X S+ 0 0 56 -4,-1.7 4,-2.3 -3,-0.2 -1,-0.2 0.906 113.1 50.2 -69.1 -39.3 120.8 104.0 19.7 53 52 A I H X S+ 0 0 66 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.925 110.1 51.0 -62.7 -43.7 119.8 103.2 23.2 54 53 A S H X S+ 0 0 59 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.909 109.0 51.3 -59.6 -42.4 120.8 106.8 24.2 55 54 A L H X S+ 0 0 10 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.914 110.9 47.6 -61.9 -43.4 118.6 108.2 21.4 56 55 A L H >< S+ 0 0 55 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.928 108.7 54.1 -63.3 -44.4 115.6 106.1 22.5 57 56 A K H 3< S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 100.9 62.0 -60.1 -27.2 116.2 107.2 26.2 58 57 A E H 3< S+ 0 0 128 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.3 0.721 82.5 102.2 -71.2 -23.3 116.1 110.9 25.0 59 58 A L << + 0 0 13 -3,-1.3 2,-0.5 -4,-0.6 60,-0.0 -0.472 43.8 176.3 -70.9 126.0 112.5 110.5 23.8 60 59 A N + 0 0 138 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.960 22.2 142.0-128.7 109.6 109.7 112.0 25.9 61 60 A H > - 0 0 44 -2,-0.5 3,-1.9 3,-0.4 54,-0.0 -0.993 59.0-121.6-152.8 144.6 106.3 111.7 24.3 62 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.767 114.4 49.7 -54.9 -27.9 102.7 110.9 25.3 63 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.058 96.0 76.2-105.6 26.9 102.7 108.0 22.9 64 63 A I B < S-e 144 0B 11 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.997 93.6-104.5-131.3 126.9 106.0 106.3 23.9 65 64 A V - 0 0 18 79,-2.5 2,-0.5 -2,-0.4 -2,-0.1 -0.245 42.8-113.6 -53.5 133.9 106.0 104.2 27.2 66 65 A K - 0 0 127 -4,-0.1 16,-2.0 -6,-0.1 2,-0.6 -0.608 20.4-151.8 -78.8 121.7 107.7 106.2 29.9 67 66 A L E -D 81 0A 54 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.822 15.4-179.8 -90.5 124.1 111.0 104.8 31.2 68 67 A L E - 0 0 58 12,-3.4 2,-0.3 -2,-0.6 13,-0.2 0.766 57.7 -16.6 -97.6 -29.9 111.4 106.1 34.8 69 68 A D E -D 80 0A 58 11,-1.5 11,-2.8 2,-0.0 2,-0.4 -0.975 49.2-135.8-168.1 165.4 114.7 104.6 35.8 70 69 A V E -D 79 0A 32 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.971 19.6-160.3-137.5 115.5 117.3 102.0 35.0 71 70 A I E -D 78 0A 12 7,-2.6 7,-2.7 -2,-0.4 2,-0.4 -0.890 4.2-154.9-105.0 122.5 118.8 99.9 37.8 72 71 A H E +D 77 0A 144 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.810 23.0 158.9 -97.6 132.5 122.1 98.1 37.3 73 72 A T E > -D 76 0A 50 3,-2.6 3,-1.5 -2,-0.4 -2,-0.0 -0.839 61.3 -37.3-159.5 115.1 122.8 95.0 39.4 74 73 A E T 3 S- 0 0 158 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.855 122.2 -35.6 34.2 77.8 125.3 92.1 38.7 75 74 A N T 3 S+ 0 0 108 1,-0.2 2,-0.3 -35,-0.1 -1,-0.3 0.600 123.4 106.8 61.5 8.7 125.2 91.6 34.9 76 75 A K E < - D 0 73A 38 -3,-1.5 -3,-2.6 -36,-0.2 2,-0.4 -0.870 52.3-163.4-118.7 153.1 121.5 92.5 35.2 77 76 A L E -CD 39 72A 46 -38,-2.1 -38,-3.3 -2,-0.3 2,-0.6 -0.999 2.9-162.4-135.2 129.3 119.6 95.6 34.2 78 77 A Y E -CD 38 71A 42 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.6 -0.951 8.2-154.3-116.9 111.8 116.1 96.4 35.4 79 78 A L E -CD 37 70A 27 -42,-3.0 -42,-2.4 -2,-0.6 2,-0.7 -0.755 8.5-150.5 -86.2 123.6 114.2 98.9 33.4 80 79 A V E +CD 36 69A 2 -11,-2.8 -12,-3.4 -2,-0.6 -11,-1.5 -0.857 23.8 175.9 -98.4 113.8 111.6 100.7 35.5 81 80 A F E -CD 35 67A 31 -46,-3.6 -46,-2.7 -2,-0.7 -14,-0.2 -0.745 39.7 -88.1-114.2 165.0 108.6 101.8 33.4 82 81 A E E -C 34 0A 38 -16,-2.0 2,-0.4 -2,-0.3 -48,-0.2 -0.347 59.0 -99.5 -63.2 152.5 105.3 103.4 34.1 83 82 A F + 0 0 46 -50,-0.6 2,-0.3 -49,-0.1 -1,-0.1 -0.670 57.5 147.7 -86.1 129.4 102.8 100.7 34.9 84 83 A L + 0 0 16 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.897 16.4 177.4-145.8 159.5 100.4 99.7 32.1 85 84 A H + 0 0 63 51,-0.5 2,-0.4 -2,-0.3 52,-0.1 0.193 54.7 82.5-156.6 15.8 99.1 96.2 31.7 86 85 A Q E -F 136 0B 19 50,-0.6 50,-2.0 4,-0.0 2,-0.3 -0.954 52.9-176.9-124.2 146.8 96.7 96.3 28.7 87 86 A D E > -F 135 0B 23 -2,-0.4 4,-2.8 48,-0.3 48,-0.2 -0.948 40.2-105.6-142.2 162.5 97.8 96.1 25.1 88 87 A L H > S+ 0 0 0 46,-2.6 4,-3.2 43,-0.6 44,-0.2 0.852 117.3 52.7 -56.0 -39.1 96.2 96.3 21.6 89 88 A K H > S+ 0 0 75 42,-1.2 4,-2.3 2,-0.2 5,-0.2 0.969 112.1 43.4 -62.7 -54.3 96.5 92.6 21.0 90 89 A K H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.917 116.3 50.2 -57.4 -42.3 94.8 91.7 24.3 91 90 A F H X S+ 0 0 11 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.936 108.8 49.6 -62.8 -48.1 92.2 94.4 23.6 92 91 A M H < S+ 0 0 18 -4,-3.2 7,-0.2 1,-0.2 -1,-0.2 0.883 112.4 49.4 -58.8 -38.6 91.5 93.2 20.0 93 92 A D H >< S+ 0 0 86 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.926 109.8 49.2 -66.6 -44.6 91.0 89.6 21.3 94 93 A A H 3< S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.768 118.0 43.1 -65.1 -23.0 88.6 90.8 24.1 95 94 A S T >X S+ 0 0 18 -4,-1.5 4,-3.9 -5,-0.2 3,-0.8 0.140 82.0 108.3-107.7 18.0 86.8 92.7 21.4 96 95 A A T <4 + 0 0 49 -3,-1.7 2,-1.0 1,-0.3 -1,-0.1 0.913 70.0 61.1 -61.8 -44.5 86.9 90.0 18.7 97 96 A L T 34 S+ 0 0 173 -4,-0.3 -1,-0.3 1,-0.2 -4,-0.1 -0.032 131.0 6.6 -76.6 35.9 83.2 89.1 18.9 98 97 A T T <4 S- 0 0 101 -2,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.199 102.6-125.1 177.1 -26.0 82.4 92.7 17.8 99 98 A G < - 0 0 9 -4,-3.9 -3,-0.1 -7,-0.2 99,-0.1 0.269 39.2 -60.7 78.4 154.0 85.6 94.5 16.9 100 99 A I - 0 0 11 97,-0.5 5,-0.1 1,-0.1 2,-0.0 -0.511 64.7-102.9 -69.6 135.5 87.1 97.7 18.2 101 100 A P >> - 0 0 77 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.357 28.2-118.4 -60.2 138.2 84.7 100.7 17.5 102 101 A L H 3> S+ 0 0 80 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.809 112.2 59.9 -49.3 -37.3 85.9 102.8 14.5 103 102 A P H 3> S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 188,-0.4 0.904 109.1 43.7 -60.0 -38.2 86.4 105.9 16.7 104 103 A L H <> S+ 0 0 6 -3,-1.2 4,-2.8 2,-0.2 5,-0.2 0.850 111.2 53.7 -73.3 -37.8 88.9 104.0 18.8 105 104 A I H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.942 111.8 46.4 -59.8 -48.4 90.6 102.5 15.8 106 105 A K H X S+ 0 0 18 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.925 113.5 48.5 -60.1 -46.6 91.0 106.1 14.4 107 106 A S H X S+ 0 0 3 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.930 113.9 45.1 -61.3 -48.4 92.2 107.4 17.7 108 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.916 114.4 48.1 -63.0 -45.7 94.8 104.7 18.3 109 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.938 112.6 49.8 -61.2 -44.4 96.1 104.8 14.7 110 109 A F H X S+ 0 0 45 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.930 113.0 46.1 -58.8 -49.1 96.3 108.6 15.0 111 110 A Q H X S+ 0 0 11 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.874 110.7 51.8 -63.3 -40.6 98.3 108.4 18.3 112 111 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.906 109.6 51.2 -64.0 -37.9 100.6 105.7 17.0 113 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.892 109.3 50.2 -66.3 -36.9 101.3 107.9 14.0 114 113 A Q H X S+ 0 0 70 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 112.7 47.0 -65.5 -42.3 102.1 110.9 16.3 115 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 115.2 45.4 -63.4 -45.1 104.4 108.7 18.4 116 115 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.893 109.3 54.6 -66.2 -41.8 106.1 107.3 15.2 117 116 A A H X S+ 0 0 21 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.921 110.4 48.4 -58.4 -40.7 106.4 110.8 13.7 118 117 A F H X S+ 0 0 50 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.942 112.8 46.3 -64.5 -48.6 108.2 111.9 16.8 119 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-1.0 0.961 113.1 49.8 -57.4 -52.6 110.6 108.9 16.8 120 119 A H H ><5S+ 0 0 30 -4,-3.1 3,-1.3 1,-0.3 -1,-0.2 0.833 107.5 52.7 -58.9 -35.3 111.3 109.3 13.1 121 120 A S H 3<5S+ 0 0 87 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.745 110.6 49.9 -73.3 -20.7 112.1 113.1 13.4 122 121 A H T <<5S- 0 0 75 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.129 123.5-106.2-100.1 17.1 114.5 112.2 16.2 123 122 A R T < 5S+ 0 0 147 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.774 79.3 130.7 65.3 29.8 116.2 109.5 14.1 124 123 A V < - 0 0 4 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.945 36.4-170.0-116.6 132.3 114.6 106.7 16.0 125 124 A L - 0 0 21 -2,-0.4 23,-0.1 1,-0.2 58,-0.1 -0.855 18.8-150.4-114.5 155.3 112.8 103.7 14.4 126 125 A H - 0 0 0 -2,-0.3 22,-2.9 57,-0.1 -1,-0.2 0.913 21.8-177.1 -85.9 -53.8 110.7 101.1 16.2 127 126 A R + 0 0 66 20,-0.2 22,-0.1 56,-0.1 20,-0.1 0.186 68.0 56.5 79.7 -15.8 111.4 98.3 13.7 128 127 A D + 0 0 14 20,-0.1 5,-0.1 2,-0.1 2,-0.1 -0.174 66.5 166.7-140.6 47.2 109.2 95.7 15.4 129 128 A L + 0 0 1 40,-0.2 40,-0.1 3,-0.1 17,-0.1 -0.395 11.3 146.8 -66.2 135.1 105.7 97.1 15.6 130 129 A K > - 0 0 1 -2,-0.1 3,-1.3 1,-0.1 4,-0.2 -0.940 59.8-102.5-164.0 152.7 103.0 94.6 16.4 131 130 A P G > S+ 0 0 4 0, 0.0 3,-1.4 0, 0.0 -42,-1.2 0.799 114.2 63.8 -47.6 -41.9 99.7 94.7 18.4 132 131 A Q G 3 S+ 0 0 48 1,-0.2 -42,-0.1 -44,-0.2 -3,-0.1 0.836 102.1 47.0 -56.5 -38.7 101.3 93.0 21.4 133 132 A N G < S+ 0 0 5 -3,-1.3 2,-0.8 -5,-0.1 12,-0.6 0.309 86.5 97.3 -94.5 17.0 103.8 95.8 22.1 134 133 A L E < - G 0 144B 0 -3,-1.4 -46,-2.6 -4,-0.2 2,-0.3 -0.877 64.9-154.1-107.5 105.4 101.3 98.7 21.9 135 134 A L E -FG 87 143B 37 8,-2.0 8,-2.7 -2,-0.8 2,-0.3 -0.585 8.4-163.0 -87.7 139.9 100.2 99.6 25.4 136 135 A I E -FG 86 142B 2 -50,-2.0 -50,-0.6 -2,-0.3 -51,-0.5 -0.893 0.4-158.1-122.9 147.1 97.0 101.2 26.3 137 136 A N > - 0 0 35 4,-1.7 3,-1.4 -2,-0.3 -53,-0.1 -0.632 36.6 -96.5-115.6 177.0 95.8 103.0 29.5 138 137 A T T 3 S+ 0 0 87 1,-0.3 159,-0.1 -2,-0.2 -1,-0.0 0.828 117.0 58.1 -61.7 -35.3 92.4 103.7 31.0 139 138 A E T 3 S- 0 0 142 155,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.274 121.4 -97.0 -83.4 11.9 92.2 107.3 29.6 140 139 A G S < S+ 0 0 0 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.509 76.3 134.9 93.4 3.0 92.5 106.2 26.0 141 140 A A - 0 0 10 151,-0.1 -4,-1.7 -30,-0.0 2,-0.4 -0.506 36.2-158.7 -84.3 157.3 96.2 106.7 25.2 142 141 A I E - G 0 136B 0 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.986 12.6-160.6-132.2 140.8 98.2 104.0 23.3 143 142 A K E - G 0 135B 27 -8,-2.7 -8,-2.0 -2,-0.4 -79,-0.3 -0.978 19.4-117.5-133.7 144.2 102.0 103.9 23.5 144 143 A L E +eG 64 134B 1 -81,-2.6 -79,-2.5 -2,-0.4 2,-0.3 -0.498 45.7 153.5 -72.6 138.8 104.9 102.4 21.6 145 144 A A + 0 0 9 -12,-0.6 -12,-0.1 -2,-0.2 -19,-0.0 -0.932 41.3 51.0-156.1 172.2 106.9 99.8 23.5 146 145 A D S S- 0 0 14 -2,-0.3 -1,-0.1 1,-0.1 -13,-0.1 0.921 72.8-161.4 56.4 48.4 109.2 96.8 22.9 147 146 A F - 0 0 22 -3,-0.1 -20,-0.2 1,-0.1 -1,-0.1 -0.245 11.2-124.5 -58.2 145.7 111.3 98.7 20.4 148 147 A G - 0 0 13 -22,-2.9 2,-0.4 -23,-0.1 -20,-0.1 -0.070 21.7-124.4 -81.0-172.0 113.5 96.5 18.0 149 148 A L - 0 0 56 1,-0.1 3,-0.2 -22,-0.1 -100,-0.1 -0.970 15.1-161.1-145.9 131.1 117.3 96.8 17.6 150 149 A A S S+ 0 0 54 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.934 91.4 26.1 -69.7 -47.7 119.6 97.3 14.7 151 150 A R S S- 0 0 164 -103,-0.1 -1,-0.3 -105,-0.1 -99,-0.1 -0.981 84.9-134.9-123.8 126.4 122.7 96.0 16.5 152 151 A A + 0 0 70 -2,-0.4 -103,-0.1 -3,-0.2 -107,-0.0 -0.084 40.0 143.7 -74.4 172.2 122.5 93.5 19.4 153 152 A F + 0 0 49 -108,-0.1 -108,-0.2 -104,-0.1 -110,-0.2 0.182 67.3 47.2-175.5 -34.3 124.2 93.3 22.8 154 153 A G S S- 0 0 25 -112,-0.1 -111,-0.1 1,-0.0 -109,-0.1 0.561 95.3 -75.4 -92.3-120.5 121.8 91.9 25.3 155 154 A V - 0 0 46 -136,-0.2 2,-0.9 -113,-0.1 -115,-0.2 -0.927 25.1-132.0-155.3 125.5 119.6 88.8 25.0 156 155 A P - 0 0 78 0, 0.0 -137,-0.3 0, 0.0 -138,-0.1 -0.688 22.6-177.2 -81.7 105.5 116.3 88.2 23.0 157 156 A V + 0 0 54 -139,-0.9 -138,-0.2 -2,-0.9 -139,-0.1 0.681 54.8 80.4 -76.8 -21.7 113.9 86.5 25.5 158 157 A R - 0 0 43 -140,-1.6 -141,-0.1 1,-0.1 -140,-0.1 0.306 62.8-150.4 -68.7-156.9 111.0 85.9 23.1 159 158 A T S S+ 0 0 78 2,-0.1 3,-0.4 0, 0.0 -1,-0.1 0.372 71.2 97.9-146.2 -37.0 110.6 83.0 20.6 160 159 A Y > > + 0 0 77 1,-0.2 3,-1.1 3,-0.1 5,-0.7 0.657 60.5 97.6 -30.6 -33.9 108.5 84.6 17.8 161 160 A T T 3 5S+ 0 0 65 1,-0.3 2,-1.8 2,-0.1 4,-0.3 0.798 99.1 14.3 -24.1 -96.0 111.7 85.2 15.9 162 161 A H T 3 5S+ 0 0 160 -3,-0.4 -1,-0.3 2,-0.1 2,-0.1 -0.636 124.9 73.6 -88.5 76.7 111.8 82.3 13.5 163 162 A E T < 5S- 0 0 96 -2,-1.8 -2,-0.1 -3,-1.1 -3,-0.1 -0.121 103.6 -65.9-146.8-113.1 108.2 81.5 14.2 164 163 A V T 5S+ 0 0 57 -4,-0.1 -3,-0.1 -2,-0.1 -2,-0.1 -0.167 102.5 55.7-155.6 50.4 105.0 83.2 13.2 165 164 A V S > S+ 0 0 3 1,-0.2 3,-0.9 2,-0.2 4,-0.1 0.837 111.2 61.1 -61.6 -25.7 107.3 89.5 14.3 167 166 A L G > S+ 0 0 10 -7,-0.3 3,-1.6 -6,-0.3 -1,-0.2 0.796 86.7 73.6 -69.1 -28.0 107.3 88.5 10.6 168 167 A W G < S+ 0 0 56 -3,-1.1 36,-0.3 1,-0.3 -1,-0.2 0.744 104.3 37.6 -58.6 -25.0 103.7 89.3 10.0 169 168 A Y G < S+ 0 0 10 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.3 0.273 86.2 127.3-112.3 12.1 104.4 93.0 10.2 170 169 A R < - 0 0 71 -3,-1.6 16,-0.1 -4,-0.1 -42,-0.1 -0.552 61.4-118.1 -79.1 128.5 107.8 93.1 8.3 171 170 A A >> - 0 0 1 -2,-0.3 4,-1.7 14,-0.2 3,-0.9 -0.257 20.5-121.6 -60.2 144.5 108.1 95.5 5.4 172 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 6,-0.2 0.831 109.5 62.4 -60.9 -31.6 108.8 93.9 2.0 173 172 A E H 34>S+ 0 0 2 1,-0.2 5,-2.8 2,-0.2 4,-0.1 0.845 106.0 47.5 -63.7 -30.3 112.1 95.8 1.5 174 173 A I H X45S+ 0 0 47 -3,-0.9 3,-1.7 3,-0.2 -1,-0.2 0.935 110.9 49.6 -73.8 -47.0 113.4 94.0 4.5 175 174 A L H 3<5S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.811 109.4 53.7 -60.0 -31.6 112.2 90.6 3.4 176 175 A L T 3<5S- 0 0 0 -4,-2.2 60,-3.0 -5,-0.2 61,-0.3 0.396 124.5-100.9 -86.7 2.7 113.8 91.3 -0.0 177 176 A G T < 5 + 0 0 24 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.674 54.3 170.7 93.2 18.4 117.2 92.1 1.6 178 177 A C < - 0 0 38 -5,-2.8 -1,-0.2 1,-0.2 3,-0.2 -0.467 16.9-164.0 -63.8 121.3 117.5 95.8 1.6 179 178 A K S S+ 0 0 155 -2,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.955 82.0 42.5 -72.1 -52.2 120.6 96.7 3.7 180 179 A Y S S+ 0 0 185 -6,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.843 78.4 170.7 -99.9 105.6 119.7 100.3 4.2 181 180 A Y - 0 0 83 -2,-0.9 2,-0.2 -3,-0.2 -2,-0.0 -0.501 18.8-134.5-103.0 178.8 116.0 100.6 4.9 182 181 A S > - 0 0 43 -2,-0.2 3,-2.0 1,-0.0 4,-0.3 -0.648 35.8 -83.7-126.5-177.5 114.1 103.7 6.1 183 182 A T T >> S+ 0 0 53 1,-0.3 3,-1.5 -2,-0.2 4,-0.9 0.675 112.7 84.4 -60.2 -17.8 111.5 104.9 8.6 184 183 A A H 3> S+ 0 0 6 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.760 72.9 71.2 -57.9 -26.2 109.0 103.6 6.0 185 184 A V H <> S+ 0 0 10 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.849 96.6 50.9 -63.3 -29.6 109.3 100.1 7.5 186 185 A D H <> S+ 0 0 0 -3,-1.5 4,-2.5 -4,-0.3 -1,-0.2 0.868 106.3 53.8 -73.2 -35.7 107.4 101.3 10.5 187 186 A I H X S+ 0 0 1 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.890 107.2 52.6 -65.0 -38.6 104.6 102.8 8.4 188 187 A W H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.961 109.9 47.2 -61.3 -50.9 104.2 99.4 6.7 189 188 A S H X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.920 112.9 49.2 -57.3 -44.3 103.9 97.6 10.0 190 189 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.885 106.9 55.1 -65.6 -34.8 101.4 100.2 11.2 191 190 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 76,-0.3 -1,-0.2 0.917 107.8 50.0 -63.6 -40.1 99.4 99.8 8.0 192 191 A C H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 11,-0.4 0.891 111.1 48.9 -62.8 -39.3 99.2 96.1 8.7 193 192 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.883 107.9 54.7 -68.1 -36.7 98.0 96.8 12.2 194 193 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.963 109.8 46.6 -59.9 -50.4 95.4 99.2 10.9 195 194 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.885 111.9 52.8 -59.3 -38.8 94.0 96.5 8.6 196 195 A E H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 5,-0.4 0.878 105.5 51.3 -66.7 -41.6 94.0 94.1 11.5 197 196 A M H < S+ 0 0 3 -4,-2.4 -97,-0.5 1,-0.2 -1,-0.2 0.899 116.1 44.3 -62.8 -37.2 92.1 96.3 13.8 198 197 A V H < S+ 0 0 16 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.906 123.8 30.7 -73.8 -46.4 89.5 96.7 11.1 199 198 A T H < S- 0 0 43 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.648 98.6-130.3 -88.9 -17.6 89.2 93.1 9.9 200 199 A R S < S+ 0 0 134 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.727 79.0 86.4 72.7 25.7 89.9 91.5 13.3 201 200 A R S S- 0 0 188 -5,-0.4 -2,-0.3 -6,-0.3 -1,-0.2 -0.983 90.0 -94.8-152.4 143.2 92.5 89.3 11.7 202 201 A A - 0 0 15 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.327 30.9-141.4 -58.5 138.9 96.2 89.7 10.9 203 202 A L S S+ 0 0 30 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.916 89.6 18.2 -72.2 -44.2 96.7 90.8 7.3 204 203 A F + 0 0 2 -36,-0.3 2,-1.7 2,-0.1 -1,-0.2 -0.672 67.9 175.4-132.0 77.7 99.8 88.7 6.4 205 204 A P + 0 0 27 0, 0.0 -37,-0.1 0, 0.0 2,-0.1 -0.486 20.4 168.1 -84.3 72.3 100.3 85.8 8.9 206 205 A G - 0 0 0 -2,-1.7 -38,-0.2 -41,-0.1 -39,-0.1 -0.295 34.4-152.0 -81.4 167.5 103.2 84.1 7.3 207 206 A D S S+ 0 0 87 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.325 78.1 20.4-120.8 5.7 105.4 81.4 8.8 208 207 A S S > S- 0 0 35 1,-0.1 4,-2.7 -44,-0.0 5,-0.2 -0.960 85.9 -99.6-161.6 163.8 108.7 82.1 7.0 209 208 A E H > S+ 0 0 104 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.930 124.3 44.3 -59.7 -43.8 110.3 84.9 5.1 210 209 A I H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 114.1 50.1 -68.0 -35.9 109.3 83.5 1.7 211 210 A D H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 109.5 51.7 -67.7 -38.7 105.8 82.7 2.9 212 211 A Q H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.926 110.8 48.5 -62.0 -46.9 105.5 86.2 4.3 213 212 A L H X S+ 0 0 6 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.920 111.5 48.5 -59.6 -45.6 106.5 87.6 0.9 214 213 A F H X S+ 0 0 44 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.864 109.8 52.0 -67.1 -33.5 104.1 85.3 -1.0 215 214 A R H X S+ 0 0 75 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.919 112.2 46.5 -67.7 -39.3 101.2 86.3 1.2 216 215 A I H >X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 3,-0.9 0.960 113.8 48.4 -64.0 -49.8 102.0 90.0 0.6 217 216 A F H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.868 106.3 56.3 -56.2 -43.4 102.3 89.4 -3.1 218 217 A R H 3< S+ 0 0 91 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.759 118.0 34.8 -62.5 -26.2 99.0 87.4 -3.3 219 218 A T H << S+ 0 0 28 -4,-1.0 28,-3.2 -3,-0.9 -2,-0.2 0.889 129.9 28.0 -95.1 -51.0 97.2 90.4 -1.8 220 219 A L H < S- 0 0 16 -4,-3.0 26,-0.3 26,-0.2 -3,-0.2 0.505 115.8-103.8 -92.8 -2.8 98.9 93.5 -3.1 221 220 A G < - 0 0 4 -4,-1.9 24,-0.2 -5,-0.4 -1,-0.2 0.129 44.2 -68.8 94.2 146.6 100.1 91.9 -6.4 222 221 A T - 0 0 10 22,-2.5 24,-0.1 -4,-0.1 2,-0.1 -0.595 62.0-122.5 -71.5 125.3 103.6 90.7 -7.2 223 222 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.395 34.2-179.6 -69.3 145.6 105.6 94.0 -7.5 224 223 A D > - 0 0 66 -2,-0.1 4,-2.9 7,-0.0 7,-0.2 -0.717 47.5 -82.6-131.3-176.5 107.4 94.8 -10.7 225 224 A E T 4 S+ 0 0 76 -2,-0.2 6,-0.1 1,-0.2 0, 0.0 0.797 124.0 58.0 -63.1 -29.3 109.6 97.7 -11.8 226 225 A V T 4 S+ 0 0 122 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.952 117.0 31.6 -65.3 -50.1 106.6 99.9 -12.8 227 226 A V T 4 S+ 0 0 66 1,-0.3 44,-0.4 -3,-0.1 -2,-0.2 0.870 137.5 21.8 -78.2 -34.7 105.2 99.8 -9.3 228 227 A W S >< S- 0 0 11 -4,-2.9 3,-2.5 42,-0.1 4,-0.3 -0.732 79.7-145.3-136.8 87.5 108.5 99.6 -7.4 229 228 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.256 87.7 18.2 -54.4 130.6 111.5 100.8 -9.3 230 229 A G T > S+ 0 0 34 41,-0.0 3,-2.0 4,-0.0 4,-0.4 0.157 86.9 118.0 95.1 -16.5 114.5 98.7 -8.3 231 230 A V G X + 0 0 0 -3,-2.5 3,-1.6 1,-0.3 6,-0.1 0.873 69.9 57.2 -53.1 -41.8 112.6 95.8 -6.9 232 231 A T G 3 S+ 0 0 58 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.584 107.6 49.1 -70.7 -5.7 113.9 93.2 -9.4 233 232 A S G < S+ 0 0 102 -3,-2.0 -1,-0.3 5,-0.1 -2,-0.2 0.360 80.6 122.8-109.4 1.6 117.5 94.0 -8.4 234 233 A M S X S- 0 0 26 -3,-1.6 3,-2.2 -4,-0.4 -57,-0.1 -0.349 78.2-103.5 -64.1 148.5 117.0 93.7 -4.7 235 234 A P T 3 S+ 0 0 86 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.809 116.3 29.4 -38.2 -50.7 119.3 91.1 -3.0 236 235 A D T 3 S+ 0 0 75 -60,-3.0 2,-0.3 2,-0.1 -59,-0.1 0.213 86.4 123.7-103.7 15.5 116.7 88.4 -2.5 237 236 A Y < - 0 0 39 -3,-2.2 -5,-0.0 -61,-0.3 3,-0.0 -0.584 41.6-166.0 -74.4 137.8 114.4 89.1 -5.4 238 237 A K > - 0 0 109 -2,-0.3 3,-2.6 1,-0.1 -5,-0.1 -0.985 23.9-144.4-127.6 122.7 113.9 86.1 -7.7 239 238 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.756 99.1 72.1 -56.8 -18.1 112.4 86.3 -11.2 240 239 A S T 3 + 0 0 105 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.462 68.7 122.0 -75.9 -0.8 110.9 82.9 -10.3 241 240 A F S < S- 0 0 17 -3,-2.6 -19,-0.0 1,-0.1 -4,-0.0 -0.388 74.6-105.5 -61.2 140.6 108.5 84.5 -7.9 242 241 A P - 0 0 51 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.299 29.7-126.7 -64.2 153.9 104.9 83.7 -8.9 243 242 A K + 0 0 135 -3,-0.1 2,-0.3 -22,-0.0 -25,-0.0 -0.858 33.0 178.4-110.4 99.5 103.1 86.7 -10.5 244 243 A W - 0 0 77 -2,-0.8 -22,-2.5 -27,-0.0 2,-0.2 -0.703 26.7-121.3 -96.7 150.9 99.8 87.4 -8.6 245 244 A A - 0 0 65 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.619 37.5 -95.1 -89.9 151.4 97.4 90.3 -9.5 246 245 A R - 0 0 122 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.382 38.7-131.5 -65.0 138.6 96.6 92.9 -6.9 247 246 A Q - 0 0 69 -28,-3.2 2,-0.2 -2,-0.1 -1,-0.1 -0.624 22.7-104.6 -91.7 153.2 93.3 92.3 -4.9 248 247 A D >> - 0 0 109 -2,-0.2 4,-2.1 1,-0.1 3,-1.7 -0.517 19.1-134.5 -75.2 139.7 90.6 95.0 -4.4 249 248 A F H 3> S+ 0 0 12 1,-0.3 4,-2.9 2,-0.3 7,-0.2 0.687 103.9 72.5 -67.0 -17.3 90.5 96.5 -0.9 250 249 A S H 34 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.769 110.7 33.2 -66.4 -21.5 86.8 96.1 -0.9 251 250 A K H <4 S+ 0 0 145 -3,-1.7 -2,-0.3 2,-0.1 -1,-0.2 0.804 120.8 48.4 -98.3 -41.6 87.8 92.4 -0.5 252 251 A V H < S+ 0 0 27 -4,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.887 133.9 11.4 -69.7 -40.9 90.9 92.8 1.6 253 252 A V S >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.1 -1,-0.3 -0.639 75.4 179.7-138.0 74.8 89.5 95.3 4.2 254 253 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.821 73.7 57.6 -45.1 -45.9 85.7 95.1 3.5 255 254 A P T 3 S+ 0 0 92 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.712 86.0 96.1 -64.4 -23.7 84.6 97.6 6.3 256 255 A L < - 0 0 12 -3,-1.4 2,-0.1 -7,-0.2 -3,-0.1 -0.423 60.5-148.6 -74.8 143.7 86.7 100.5 5.1 257 256 A D > - 0 0 93 -2,-0.1 4,-3.1 1,-0.0 5,-0.3 -0.340 45.0 -78.1 -95.4-177.0 85.4 103.3 2.9 258 257 A E H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.821 131.3 53.0 -54.1 -35.5 87.4 105.3 0.3 259 258 A D H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.940 113.5 42.3 -66.0 -46.3 89.0 107.5 3.0 260 259 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.917 116.0 49.0 -65.3 -44.3 90.2 104.4 4.9 261 260 A R H X S+ 0 0 76 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.894 108.7 53.5 -62.6 -41.0 91.3 102.6 1.7 262 261 A S H X S+ 0 0 30 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.955 113.0 43.1 -58.9 -50.3 93.2 105.7 0.5 263 262 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.935 114.9 48.8 -62.4 -47.7 95.1 105.9 3.8 264 263 A L H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 3,-0.3 0.927 108.9 53.2 -60.2 -45.4 95.8 102.1 3.9 265 264 A S H < S+ 0 0 48 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.882 109.6 49.7 -57.6 -37.4 96.9 102.0 0.3 266 265 A Q H >< S+ 0 0 68 -4,-1.7 10,-2.2 -5,-0.2 3,-0.6 0.816 111.2 48.4 -72.3 -29.1 99.4 104.8 1.1 267 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.3 -3,-0.3 -1,-0.2 0.747 115.4 44.6 -80.5 -24.6 100.7 102.9 4.2 268 267 A L T 3< S+ 0 0 7 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.106 77.8 139.7-106.8 21.8 101.1 99.7 2.3 269 268 A H < - 0 0 65 -3,-0.6 6,-0.2 1,-0.1 5,-0.1 -0.435 52.0-138.5 -63.1 134.7 102.7 101.1 -0.8 270 269 A Y S S+ 0 0 16 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.953 86.0 75.3 -59.9 -50.8 105.5 98.7 -2.0 271 270 A D S >> S- 0 0 12 -44,-0.4 3,-2.5 1,-0.2 4,-1.8 -0.513 71.0-154.2 -69.1 111.1 108.0 101.5 -2.8 272 271 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.823 95.8 60.8 -54.1 -31.0 109.4 102.8 0.5 273 272 A N T 34 S+ 0 0 153 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.615 112.3 36.3 -72.1 -14.8 110.0 106.1 -1.4 274 273 A K T <4 S+ 0 0 96 -3,-2.5 -1,-0.2 2,-0.1 3,-0.1 0.574 89.8 111.8-108.9 -18.6 106.3 106.5 -2.2 275 274 A R S < S- 0 0 14 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.312 80.3-101.3 -59.7 133.6 104.9 105.1 1.1 276 275 A I - 0 0 19 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.214 33.5-125.2 -57.7 144.3 103.3 107.8 3.2 277 276 A S > - 0 0 60 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.495 21.8-114.3 -83.2 162.5 105.3 109.3 6.1 278 277 A A H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -161,-0.1 0.929 118.0 53.1 -63.0 -42.3 103.8 109.3 9.6 279 278 A K H > S+ 0 0 171 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.937 111.6 43.8 -57.6 -49.0 103.8 113.1 9.5 280 279 A A H >4 S+ 0 0 50 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.845 107.7 60.1 -67.4 -33.2 101.8 113.2 6.2 281 280 A A H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.853 94.7 63.2 -63.1 -34.5 99.5 110.4 7.4 282 281 A L H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.781 102.5 50.9 -60.2 -26.2 98.3 112.6 10.3 283 282 A A T << S+ 0 0 86 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.364 82.8 123.0 -92.0 2.9 96.9 115.1 7.7 284 283 A H S X S- 0 0 14 -3,-1.8 3,-2.4 -4,-0.2 4,-0.1 -0.420 73.8-121.2 -67.6 138.7 95.0 112.4 5.8 285 284 A P G > S+ 0 0 55 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.735 105.8 78.7 -52.2 -23.4 91.3 113.1 5.6 286 285 A F G 3 S+ 0 0 5 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.826 94.3 49.7 -55.4 -30.4 90.6 109.8 7.3 287 286 A F G X S+ 0 0 9 -3,-2.4 3,-1.6 -6,-0.2 -1,-0.3 0.205 74.8 109.8 -95.8 15.9 91.5 111.6 10.6 288 287 A Q T < S+ 0 0 157 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.876 89.0 34.1 -55.9 -42.9 89.2 114.6 10.1 289 288 A D T 3 S+ 0 0 105 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.1 -0.056 85.4 149.5-104.0 29.0 86.8 113.5 12.9 290 289 A V < + 0 0 42 -3,-1.6 2,-0.2 -184,-0.1 -186,-0.1 -0.444 16.4 169.0 -69.3 136.5 89.4 111.9 15.1 291 290 A T - 0 0 80 -188,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.632 40.7-106.2-129.6-172.9 88.6 112.1 18.9 292 291 A K - 0 0 122 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.616 39.8-174.3-125.4 75.1 90.0 110.5 22.0 293 292 A P - 0 0 33 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.258 24.6-122.9 -64.3 150.7 87.5 107.8 23.1 294 293 A V - 0 0 106 1,-0.0 -155,-0.1 -154,-0.0 2,-0.1 -0.836 29.8-121.7 -96.2 132.8 88.1 105.9 26.4 295 294 A P - 0 0 14 0, 0.0 2,-1.0 0, 0.0 -155,-0.1 -0.431 14.1-124.3 -75.2 151.0 88.3 102.1 25.9 296 295 A H + 0 0 170 -2,-0.1 2,-0.3 2,-0.1 -158,-0.0 -0.814 43.5 166.7 -95.5 99.1 85.9 99.8 27.7 297 296 A L - 0 0 28 -2,-1.0 2,-1.9 -159,-0.1 -206,-0.0 -0.865 45.7-121.1-114.1 148.4 88.2 97.4 29.7 298 297 A R 0 0 251 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.472 360.0 360.0 -85.2 66.9 87.3 95.0 32.4 299 298 A L 0 0 134 -2,-1.9 -1,-0.2 -161,-0.0 -3,-0.0 0.841 360.0 360.0-107.1 360.0 89.7 96.7 34.9