==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-12 4FV1 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 343 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 12.2 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 0.6 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 . 14 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 0 1 1 0 1 1 1 0 0 0 2 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 . 2 2 2 0 1 0 2 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 . 1 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 9 A P 0 0 123 0, 0.0 9,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 150.0 26.5 13.0 35.0 2 10 A E - 0 0 85 7,-0.4 7,-2.2 6,-0.1 2,-0.4 -0.407 360.0-145.4 -70.3 144.1 27.7 13.5 31.4 3 11 A M B -A 8 0A 114 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -0.937 14.7-173.6-117.4 137.7 25.9 16.2 29.4 4 12 A V S S- 0 0 16 3,-2.6 3,-0.5 -2,-0.4 15,-0.0 -0.977 73.1 -19.3-135.0 118.4 25.1 16.2 25.6 5 13 A R S S- 0 0 173 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.873 127.3 -50.4 52.1 49.1 23.6 19.3 23.8 6 14 A G S S+ 0 0 76 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.799 118.3 109.2 62.3 34.0 22.4 20.9 27.1 7 15 A Q S S- 0 0 63 -3,-0.5 -3,-2.6 2,-0.0 -1,-0.2 -0.997 73.9-107.5-140.7 142.2 20.6 17.7 28.2 8 16 A V B +A 3 0A 55 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.452 32.4 176.4 -67.8 132.8 21.4 15.1 30.9 9 17 A F + 0 0 0 -7,-2.2 2,-0.9 -2,-0.2 -7,-0.4 -0.614 5.4 172.9-139.5 72.0 22.7 11.7 29.6 10 18 A D + 0 0 79 1,-0.2 82,-0.1 -9,-0.1 -2,-0.0 -0.769 23.7 135.1 -91.5 102.0 23.5 9.6 32.7 11 19 A V > + 0 0 4 -2,-0.9 4,-1.3 4,-0.3 3,-0.2 0.251 46.0 161.9-126.3 2.5 24.4 6.0 31.5 12 20 A G T 4 + 0 0 54 1,-0.2 4,-0.1 2,-0.2 -2,-0.0 -0.203 36.8 27.7 -71.4 163.7 27.5 5.5 33.7 13 21 A P T 4 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 -0.983 127.6 38.0 -82.2 -19.0 29.5 3.7 35.0 14 22 A R T 4 S+ 0 0 77 -3,-0.2 21,-2.8 1,-0.1 2,-0.5 0.838 117.9 49.0 -61.0 -40.0 29.1 1.0 32.1 15 23 A Y E < +B 34 0B 2 -4,-1.3 -4,-0.3 19,-0.2 2,-0.2 -0.930 69.6 154.8-115.8 123.5 28.8 3.5 29.2 16 24 A T E +B 33 0B 38 17,-1.6 17,-3.3 -2,-0.5 -2,-0.0 -0.750 41.2 52.0-132.7 176.1 31.2 6.5 28.8 17 25 A N E S- 0 0 106 -2,-0.2 -1,-0.2 15,-0.2 2,-0.1 0.963 71.6-159.4 52.8 66.0 32.6 8.9 26.0 18 26 A L E - 0 0 22 14,-0.1 2,-0.3 -3,-0.1 14,-0.2 -0.392 15.4-173.9 -74.1 150.3 29.3 10.0 24.6 19 27 A S E -B 31 0B 61 12,-1.5 12,-2.8 -2,-0.1 2,-0.2 -0.967 29.0-115.4-146.7 126.5 28.9 11.5 21.1 20 28 A Y E +B 30 0B 68 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.479 34.0 170.6 -66.5 127.8 25.6 13.0 19.7 21 29 A I E - 0 0 71 8,-2.3 2,-0.3 1,-0.4 9,-0.2 0.836 56.4 -56.0 -99.2 -58.1 24.2 11.0 16.7 22 30 A G E -B 29 0B 23 7,-1.5 7,-2.7 2,-0.0 -1,-0.4 -0.974 45.5-115.4-173.3 177.4 20.8 12.7 16.2 23 31 A E E +B 28 0B 121 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.733 16.2 179.2-127.3 173.9 17.4 13.6 17.7 24 32 A G E > -B 27 0B 43 3,-0.9 3,-1.2 -2,-0.2 -2,-0.0 -0.927 45.5-105.1-164.4 161.3 13.6 12.9 17.5 25 33 A A T 3 S+ 0 0 93 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.802 122.7 50.8 -65.4 -27.8 10.5 14.1 19.3 26 34 A Y T 3 S- 0 0 47 1,-0.2 -1,-0.3 20,-0.1 2,-0.1 -0.156 125.7 -35.9-103.2 38.5 10.4 10.7 21.0 27 35 A G E < -B 24 0B 19 -3,-1.2 -3,-0.9 19,-0.1 2,-0.4 -0.474 54.5 -93.9 130.7 161.6 14.1 10.7 22.2 28 36 A M E -BC 23 45B 3 17,-1.8 17,-3.1 -5,-0.2 2,-0.4 -0.918 30.1-149.4-111.2 135.0 17.8 11.6 21.8 29 37 A V E +BC 22 44B 41 -7,-2.7 -8,-2.3 -2,-0.4 -7,-1.5 -0.904 19.8 169.9-111.5 130.9 20.4 9.1 20.3 30 38 A C E -BC 20 43B 0 13,-2.7 13,-3.5 -2,-0.4 2,-0.3 -0.939 30.1-126.6-130.0 153.9 24.1 9.1 21.3 31 39 A S E +BC 19 42B 14 -12,-2.8 -12,-1.5 -2,-0.3 2,-0.3 -0.735 35.9 177.3 -94.9 148.2 27.0 6.7 20.6 32 40 A A E - C 0 41B 0 9,-2.7 9,-3.3 -2,-0.3 2,-0.5 -0.988 32.8-107.5-152.3 157.1 28.9 5.4 23.7 33 41 A Y E -BC 16 40B 83 -17,-3.3 -17,-1.6 -2,-0.3 2,-0.7 -0.773 26.9-142.4 -89.3 123.3 31.7 3.0 24.8 34 42 A D E >> -BC 15 39B 2 5,-2.4 4,-1.3 -2,-0.5 5,-0.7 -0.802 9.4-164.9 -86.5 113.3 30.5 -0.2 26.6 35 43 A N T 45S+ 0 0 83 -21,-2.8 -1,-0.1 -2,-0.7 -20,-0.1 0.604 86.1 50.9 -74.8 -13.5 33.1 -0.9 29.3 36 44 A V T 45S+ 0 0 102 -22,-0.2 -1,-0.2 3,-0.1 -21,-0.0 0.912 123.4 25.7 -87.5 -51.1 31.9 -4.5 29.8 37 45 A N T 45S- 0 0 103 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.454 98.3-132.2 -93.5 -3.6 31.9 -5.7 26.1 38 46 A K T <5 + 0 0 60 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.824 69.2 112.0 52.7 41.7 34.7 -3.2 25.0 39 47 A V E + 0 0 3 0, 0.0 3,-1.9 0, 0.0 7,-0.5 0.596 31.5 97.7-103.4 -12.3 7.9 9.3 27.9 49 57 A F T 3 S+ 0 0 19 40,-0.5 283,-0.1 1,-0.3 282,-0.1 0.629 80.7 57.5 -62.9 -16.1 5.9 9.3 31.2 50 58 A E T 3 S+ 0 0 153 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.590 105.4 55.7 -89.2 -8.7 4.1 12.6 30.8 51 59 A H <> - 0 0 101 -3,-1.9 4,-2.0 1,-0.1 -1,-0.1 -0.984 66.5-153.5-130.3 122.5 2.5 11.6 27.4 52 60 A Q H > S+ 0 0 79 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.851 99.9 52.6 -56.6 -42.0 0.3 8.4 26.9 53 61 A T H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 109.5 48.5 -60.2 -48.8 1.2 8.2 23.2 54 62 A Y H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.869 112.5 50.0 -58.1 -42.1 5.0 8.4 24.0 55 63 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 -7,-0.5 -2,-0.2 0.886 110.1 49.1 -63.5 -47.6 4.4 5.6 26.7 56 64 A Q H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.930 112.4 47.7 -60.3 -47.6 2.5 3.3 24.2 57 65 A R H X S+ 0 0 63 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.858 112.7 50.2 -61.7 -39.8 5.3 3.7 21.6 58 66 A T H X S+ 0 0 15 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.922 113.5 44.1 -63.6 -49.5 8.0 3.0 24.2 59 67 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.903 111.4 52.7 -65.8 -46.2 6.2 -0.2 25.5 60 68 A R H X S+ 0 0 35 -4,-2.6 4,-2.3 99,-0.2 5,-0.2 0.935 114.1 43.7 -54.3 -50.6 5.4 -1.6 22.0 61 69 A E H X S+ 0 0 6 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.916 114.8 47.2 -61.9 -50.7 9.0 -1.3 20.9 62 70 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.954 114.5 47.4 -58.7 -51.1 10.6 -2.7 24.2 63 71 A K H X S+ 0 0 68 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.908 118.6 40.1 -55.9 -48.2 8.1 -5.7 24.2 64 72 A I H >X S+ 0 0 7 -4,-2.3 4,-1.6 -5,-0.3 3,-0.6 0.936 115.0 48.7 -69.5 -51.2 8.7 -6.6 20.5 65 73 A L H 3< S+ 0 0 3 -4,-2.9 11,-0.4 1,-0.2 -1,-0.2 0.784 108.2 54.5 -66.9 -26.4 12.5 -6.0 20.3 66 74 A L H 3< S+ 0 0 26 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.799 112.9 44.4 -74.3 -26.7 13.2 -8.0 23.4 67 75 A R H << S+ 0 0 124 -4,-0.9 2,-0.2 -3,-0.6 -2,-0.2 0.735 103.5 81.4 -86.3 -24.6 11.3 -11.0 21.8 68 76 A F < + 0 0 18 -4,-1.6 2,-0.3 6,-0.1 62,-0.0 -0.594 48.1 176.2 -88.9 146.7 12.9 -10.5 18.4 69 77 A R + 0 0 227 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.823 26.3 131.0-149.6 98.4 16.4 -11.8 17.3 70 78 A H > - 0 0 17 3,-0.4 3,-1.6 -2,-0.3 56,-0.0 -0.981 58.3-125.6-153.3 141.0 17.3 -11.2 13.6 71 79 A E T 3 S+ 0 0 132 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.720 112.3 47.3 -57.8 -29.3 20.4 -9.8 11.8 72 80 A N T 3 S+ 0 0 6 82,-0.1 83,-2.7 2,-0.1 2,-0.4 0.108 101.7 76.6-104.0 20.3 18.2 -7.3 9.9 73 81 A I B < S-f 155 0C 5 -3,-1.6 -3,-0.4 81,-0.3 83,-0.2 -0.998 86.8-114.5-131.3 128.4 16.3 -6.0 13.0 74 82 A I - 0 0 7 81,-2.5 2,-0.2 -2,-0.4 -6,-0.1 -0.277 36.4-147.9 -60.4 139.1 17.8 -3.7 15.6 75 83 A G - 0 0 19 -4,-0.1 2,-0.5 -6,-0.1 21,-0.5 -0.509 13.7-123.2-102.1 173.7 18.2 -5.4 18.9 76 84 A I + 0 0 19 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.979 27.7 176.2-117.2 108.0 18.0 -4.2 22.5 77 85 A N - 0 0 79 17,-2.4 2,-0.3 -2,-0.5 18,-0.2 0.764 66.8 -10.6 -82.4 -31.9 21.3 -5.0 24.2 78 86 A D E -E 94 0B 18 16,-1.1 16,-2.7 2,-0.0 2,-0.4 -0.974 55.8-141.8-162.8 158.9 20.6 -3.4 27.6 79 87 A I E -E 93 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.979 13.5-160.6-135.6 123.0 18.0 -1.0 29.3 80 88 A I E +E 92 0B 39 12,-2.9 12,-3.2 -2,-0.4 2,-0.3 -0.896 29.7 132.5-105.4 128.3 19.0 1.7 31.9 81 89 A R - 0 0 19 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.949 58.2 -70.8-163.0 164.7 16.5 3.2 34.3 82 90 A A - 0 0 24 8,-0.4 6,-0.1 -2,-0.3 261,-0.0 -0.212 44.5-114.7 -59.8 152.5 16.1 4.0 38.0 83 91 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.629 96.6 44.6 -67.3 -13.4 15.7 1.1 40.5 84 92 A T S > S- 0 0 47 1,-0.1 4,-0.9 0, 0.0 -2,-0.1 -0.931 79.3-123.9-131.4 156.4 12.1 2.2 41.4 85 93 A I T >4 S+ 0 0 52 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.893 113.3 56.3 -60.9 -42.9 8.9 3.4 39.6 86 94 A E T 34 S+ 0 0 151 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.872 112.8 39.2 -55.5 -46.1 8.9 6.6 41.7 87 95 A Q T 34 S+ 0 0 123 -3,-0.1 2,-0.7 2,-0.0 -1,-0.2 0.523 91.0 105.3 -84.8 -11.5 12.5 7.5 40.7 88 96 A M << + 0 0 0 -4,-0.9 3,-0.1 -3,-0.6 248,-0.1 -0.668 26.2 138.1 -79.9 112.9 12.1 6.4 37.0 89 97 A K + 0 0 137 -2,-0.7 -40,-0.5 1,-0.3 2,-0.3 0.646 67.7 34.4-118.1 -40.7 11.8 9.6 34.8 90 98 A D - 0 0 44 -43,-0.1 -8,-0.4 -42,-0.1 2,-0.4 -0.869 63.3-155.1-118.8 152.6 14.0 8.6 31.8 91 99 A V E -D 46 0B 0 -45,-2.8 -45,-3.2 -2,-0.3 2,-0.5 -0.998 7.4-156.3-127.5 129.3 14.7 5.2 30.1 92 100 A Y E -DE 45 80B 6 -12,-3.2 -12,-2.9 -2,-0.4 2,-0.6 -0.955 6.1-160.0-109.5 118.5 17.9 4.6 28.1 93 101 A I E -DE 44 79B 2 -49,-2.9 -49,-2.7 -2,-0.5 2,-0.5 -0.904 6.5-150.6-104.3 119.3 17.8 1.8 25.5 94 102 A V E +DE 43 78B 0 -16,-2.7 -17,-2.4 -2,-0.6 -16,-1.1 -0.785 30.5 161.1 -90.3 122.3 21.2 0.4 24.4 95 103 A Q E -D 42 0B 14 -53,-3.1 -53,-2.2 -2,-0.5 -19,-0.2 -0.760 43.9 -57.7-134.9 178.7 21.1 -0.8 20.8 96 104 A D - 0 0 45 -21,-0.5 2,-0.5 -2,-0.2 -55,-0.1 -0.338 51.7-126.9 -59.0 137.7 23.3 -1.8 17.8 97 105 A L + 0 0 63 -57,-0.3 2,-0.3 -55,-0.1 -1,-0.1 -0.812 33.9 178.7 -91.4 126.5 25.6 1.1 16.7 98 106 A M - 0 0 26 -2,-0.5 50,-0.3 1,-0.1 3,-0.1 -0.815 33.3-127.2-124.5 161.1 25.2 1.8 12.9 99 107 A E S S- 0 0 114 48,-1.0 2,-0.2 -2,-0.3 49,-0.2 0.915 77.6 -28.6 -76.1 -48.0 26.9 4.5 10.7 100 108 A T E -G 147 0C 26 47,-2.5 47,-2.8 4,-0.0 2,-0.3 -0.801 58.7-105.3-152.5-171.8 23.9 6.1 9.1 101 109 A D E > -G 146 0C 31 45,-0.3 4,-2.0 -2,-0.2 45,-0.2 -0.829 34.7-109.9-123.5 163.6 20.2 5.6 8.0 102 110 A L H > S+ 0 0 0 43,-2.2 4,-2.3 40,-1.2 41,-0.2 0.789 116.4 60.0 -67.1 -27.2 18.8 5.3 4.4 103 111 A Y H > S+ 0 0 114 39,-0.8 4,-0.7 42,-0.3 -1,-0.2 0.933 109.2 42.3 -63.7 -47.1 17.2 8.8 4.6 104 112 A K H >> S+ 0 0 89 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.915 115.0 51.5 -65.1 -44.0 20.6 10.4 5.2 105 113 A L H >X S+ 0 0 18 -4,-2.0 4,-2.6 1,-0.2 3,-1.1 0.885 106.8 52.4 -58.7 -47.6 22.3 8.2 2.5 106 114 A L H 3< S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.660 98.1 67.2 -68.3 -18.0 19.6 9.0 -0.2 107 115 A K H << S+ 0 0 134 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.746 124.8 6.4 -71.2 -28.4 20.1 12.8 0.3 108 116 A T H << S+ 0 0 111 -3,-1.1 2,-0.5 -4,-0.5 -2,-0.2 0.497 113.6 79.1-133.5 -9.4 23.7 12.7 -1.1 109 117 A Q < - 0 0 102 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.1 -0.925 58.4-145.8-119.2 130.3 24.5 9.2 -2.5 110 118 A H - 0 0 160 -2,-0.5 2,-0.4 -3,-0.1 102,-0.1 -0.699 28.0-136.9 -80.3 128.2 23.5 7.6 -5.8 111 119 A L - 0 0 10 100,-0.4 2,-0.1 -2,-0.4 -1,-0.0 -0.788 9.8-129.5 -91.9 135.7 23.0 3.8 -5.1 112 120 A S > - 0 0 48 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.394 29.3-108.3 -72.1 161.8 24.4 1.3 -7.6 113 121 A N H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.884 123.3 54.6 -58.5 -37.5 21.9 -1.4 -8.8 114 122 A D H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 108.3 48.2 -63.7 -37.3 23.9 -3.9 -6.6 115 123 A H H > S+ 0 0 75 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.906 112.0 48.6 -68.7 -43.4 23.4 -1.7 -3.5 116 124 A I H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.937 113.7 48.0 -59.5 -47.5 19.6 -1.3 -4.3 117 125 A C H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.911 115.4 43.4 -58.4 -49.8 19.3 -5.1 -4.7 118 126 A Y H X S+ 0 0 63 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.879 114.9 48.9 -66.8 -42.9 21.2 -5.9 -1.5 119 127 A F H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.948 113.6 47.1 -63.4 -46.1 19.4 -3.2 0.6 120 128 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.902 110.5 52.8 -61.7 -43.4 16.0 -4.4 -0.7 121 129 A Y H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.926 111.3 45.7 -55.7 -49.3 17.0 -8.1 0.1 122 130 A Q H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.861 111.3 52.7 -65.3 -38.0 17.9 -7.2 3.7 123 131 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.943 114.3 42.1 -59.8 -51.1 14.6 -5.1 4.2 124 132 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.817 112.2 54.7 -67.9 -33.2 12.5 -8.1 3.0 125 133 A R H X S+ 0 0 15 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.931 113.4 41.9 -66.5 -46.4 14.6 -10.6 5.0 126 134 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.2 0.928 114.5 52.3 -63.1 -44.0 14.0 -8.6 8.2 127 135 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.844 102.0 59.6 -64.2 -33.8 10.3 -8.1 7.2 128 136 A K H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.929 107.9 45.6 -58.9 -44.9 9.8 -11.8 6.6 129 137 A Y H X S+ 0 0 17 -4,-1.3 4,-0.9 -3,-0.2 186,-0.5 0.912 113.0 49.8 -65.2 -44.9 10.8 -12.5 10.3 130 138 A I H ><>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-0.9 0.951 114.8 43.6 -57.5 -53.2 8.5 -9.6 11.6 131 139 A H H ><5S+ 0 0 6 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.831 107.4 59.3 -64.3 -34.6 5.5 -10.9 9.5 132 140 A S H 3<5S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.725 101.8 55.5 -66.1 -21.5 6.1 -14.5 10.6 133 141 A A T <<5S- 0 0 1 -3,-0.9 186,-3.8 -4,-0.9 -1,-0.3 0.344 121.9-112.0 -88.4 3.7 5.7 -13.3 14.2 134 142 A N T < 5S+ 0 0 58 -3,-1.7 30,-2.7 1,-0.3 2,-0.3 0.748 76.7 134.2 65.8 32.8 2.2 -11.9 13.2 135 143 A V E < -I 163 0D 0 -5,-1.8 2,-0.4 28,-0.3 -1,-0.3 -0.845 46.1-152.9-112.1 143.9 3.6 -8.4 13.7 136 144 A L E -I 162 0D 0 26,-2.8 26,-1.7 -2,-0.3 61,-0.1 -0.969 5.9-156.8-111.7 132.9 3.2 -5.3 11.4 137 145 A H - 0 0 0 -2,-0.4 23,-0.3 24,-0.2 -1,-0.1 0.942 19.3-174.2 -70.7 -50.6 6.0 -2.6 11.5 138 146 A R + 0 0 30 59,-0.1 -1,-0.1 23,-0.1 41,-0.1 0.348 67.0 63.0 70.9 3.5 3.5 0.1 10.1 139 147 A D + 0 0 11 18,-0.1 2,-0.3 40,-0.1 5,-0.1 -0.113 62.1 156.9-145.2 43.4 6.2 2.9 9.8 140 148 A L + 0 0 0 43,-0.1 17,-0.0 3,-0.1 5,-0.0 -0.552 17.2 134.7 -74.8 128.7 8.7 1.6 7.3 141 149 A K > - 0 0 42 -2,-0.3 3,-1.9 65,-0.0 -39,-0.2 -0.942 69.6 -89.4-163.9 161.9 10.6 4.5 5.7 142 150 A P G > S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 -40,-1.2 0.845 122.8 57.8 -55.4 -32.7 14.3 5.3 4.8 143 151 A S G 3 S+ 0 0 39 1,-0.3 -3,-0.1 -41,-0.2 -39,-0.0 0.687 102.2 56.2 -73.3 -12.8 14.9 6.9 8.2 144 152 A N G < S+ 0 0 10 -3,-1.9 12,-3.0 -5,-0.1 2,-0.5 0.191 92.7 83.2-100.6 18.0 13.8 3.6 10.0 145 153 A L E < - H 0 155C 0 -3,-1.5 -43,-2.2 10,-0.2 2,-0.3 -0.972 68.0-159.7-123.0 109.7 16.5 1.6 8.1 146 154 A L E -GH 101 154C 30 8,-3.2 8,-2.3 -2,-0.5 2,-0.3 -0.698 4.7-165.1 -93.8 146.8 20.0 1.8 9.6 147 155 A L E -GH 100 153C 0 -47,-2.8 -47,-2.5 -2,-0.3 -48,-1.0 -0.984 4.8-155.1-128.4 139.5 23.2 1.0 7.7 148 156 A N > - 0 0 36 4,-1.5 3,-1.7 -2,-0.3 -50,-0.1 -0.428 45.4 -85.5-101.1-175.0 26.7 0.3 9.0 149 157 A T T 3 S+ 0 0 104 1,-0.3 -51,-0.0 -2,-0.1 -1,-0.0 0.678 128.6 51.6 -67.6 -19.1 30.0 0.8 7.0 150 158 A T T 3 S- 0 0 95 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.153 121.1-104.8-102.6 17.7 29.7 -2.6 5.3 151 159 A X < + 0 0 56 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.663 64.5 157.4 70.3 17.7 26.1 -2.0 4.1 152 160 A D - 0 0 58 -30,-0.0 -4,-1.5 1,-0.0 2,-0.4 -0.602 31.1-146.4 -72.0 132.8 24.5 -4.3 6.7 153 161 A L E - H 0 147C 0 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.893 18.5-176.3-110.4 137.1 20.9 -3.1 7.1 154 162 A K E - H 0 146C 34 -8,-2.3 -8,-3.2 -2,-0.4 2,-0.3 -0.997 21.8-134.5-134.2 128.3 18.7 -3.1 10.3 155 163 A I E +fH 73 145C 0 -83,-2.7 -81,-2.5 -2,-0.4 -10,-0.2 -0.644 34.3 179.7 -76.4 133.2 15.1 -2.2 10.6 156 164 A C + 0 0 16 -12,-3.0 -12,-0.0 -2,-0.3 -81,-0.0 -0.689 37.1 55.5-128.7-179.9 14.4 0.1 13.6 157 165 A D + 0 0 40 -2,-0.2 3,-0.3 1,-0.1 -1,-0.1 0.993 38.7 178.0 58.7 89.3 11.6 2.0 15.5 158 166 A F > + 0 0 0 1,-0.2 3,-1.0 2,-0.1 -94,-0.1 0.011 43.6 120.2-103.9 26.9 8.8 -0.4 16.4 159 167 A G T 3 S+ 0 0 1 1,-0.2 -99,-0.2 -99,-0.1 -1,-0.2 0.753 81.8 35.4 -62.5 -30.3 6.8 2.4 18.2 160 168 A L T 3 S+ 0 0 24 -3,-0.3 -1,-0.2 -23,-0.3 -2,-0.1 0.309 90.7 129.4-107.1 7.8 3.8 2.0 15.9 161 169 A A < + 0 0 1 -3,-1.0 2,-0.3 -104,-0.1 -24,-0.2 -0.289 32.4 177.7 -68.4 144.4 4.0 -1.8 15.5 162 170 A R E -I 136 0D 67 -26,-1.7 -26,-2.8 -102,-0.0 2,-0.3 -0.957 37.2 -95.4-140.3 164.5 0.9 -4.0 16.1 163 171 A V E -I 135 0D 54 -2,-0.3 -28,-0.3 -28,-0.2 -29,-0.1 -0.620 56.9-100.9 -79.3 133.3 -0.2 -7.6 16.0 164 172 A A + 0 0 13 -30,-2.7 32,-0.2 -2,-0.3 -1,-0.1 -0.328 42.1 178.5 -57.8 136.5 -1.9 -8.3 12.6 165 173 A D > + 0 0 56 30,-2.6 3,-1.2 1,-0.1 30,-0.1 -0.559 9.8 167.7-141.6 71.9 -5.7 -8.2 12.8 166 174 A P G > S+ 0 0 81 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.777 75.8 61.3 -62.0 -26.9 -7.2 -8.8 9.2 167 175 A D G 3 S+ 0 0 139 1,-0.2 3,-0.2 2,-0.1 -2,-0.0 0.724 110.7 39.2 -69.3 -26.9 -10.7 -9.4 10.6 168 176 A H G < S+ 0 0 109 -3,-1.2 -1,-0.2 1,-0.1 25,-0.0 -0.042 84.9 104.4-113.4 29.0 -10.9 -5.8 12.1 169 177 A D < + 0 0 18 -3,-1.0 24,-2.2 26,-0.1 25,-0.3 0.718 52.7 101.0 -83.4 -23.7 -9.1 -3.9 9.3 170 178 A H B +J 192 0E 133 -3,-0.2 2,-0.3 22,-0.2 22,-0.2 -0.364 42.9 148.7 -71.1 141.7 -12.3 -2.3 7.7 171 179 A T - 0 0 36 20,-1.4 76,-0.1 -2,-0.1 3,-0.1 -0.922 43.1 -76.1-157.6 174.2 -13.1 1.4 8.4 172 180 A G > - 0 0 26 -2,-0.3 3,-0.8 1,-0.2 2,-0.1 -0.153 58.3 -74.9 -76.4 172.5 -14.7 4.4 6.8 173 181 A F T 3 S+ 0 0 43 1,-0.2 17,-0.2 18,-0.1 -1,-0.2 -0.446 113.1 9.0 -71.5 138.5 -13.4 6.8 4.2 174 182 A L T 3 S+ 0 0 74 15,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.858 83.1 176.5 57.1 42.6 -10.7 9.4 5.2 175 183 A T < - 0 0 49 -3,-0.8 -1,-0.2 13,-0.4 17,-0.1 -0.664 39.3 -98.3 -77.9 131.5 -10.2 7.7 8.7 176 184 A E - 0 0 96 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.121 45.2-170.0 -52.3 138.7 -7.4 9.5 10.7 177 185 A Y - 0 0 38 1,-0.1 4,-0.1 2,-0.1 17,-0.0 -0.967 22.2-159.0-137.9 150.2 -4.0 7.7 10.6 178 186 A V + 0 0 108 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.827 59.3 96.8 -98.5 -42.3 -0.7 8.2 12.5 179 187 A A S S- 0 0 7 1,-0.2 -40,-0.1 -19,-0.1 5,-0.1 -0.100 93.2 -67.9 -56.8 152.1 2.1 6.6 10.3 180 188 A T > - 0 0 41 1,-0.1 3,-1.3 3,-0.1 4,-0.2 -0.144 45.5-136.8 -48.2 121.0 4.3 8.7 7.9 181 189 A R G > S+ 0 0 83 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.812 95.2 56.4 -50.3 -54.0 2.2 10.0 5.0 182 190 A W G 3 S+ 0 0 88 1,-0.3 36,-0.3 38,-0.1 -1,-0.2 0.673 110.8 46.0 -60.3 -19.5 4.5 9.4 2.0 183 191 A Y G < S+ 0 0 12 -3,-1.3 2,-0.3 2,-0.1 -1,-0.3 0.283 85.6 121.4-108.3 9.8 4.7 5.6 2.8 184 192 A R < - 0 0 26 -3,-1.7 5,-0.1 -4,-0.2 16,-0.1 -0.595 64.2-121.6 -80.1 130.0 0.9 5.1 3.4 185 193 A A >> - 0 0 0 -2,-0.3 3,-1.3 14,-0.1 4,-0.6 -0.241 24.3-114.6 -65.8 149.1 -0.9 2.5 1.2 186 194 A P H >> S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.878 113.5 62.9 -56.8 -38.4 -3.9 3.9 -0.8 187 195 A E H 3>>S+ 0 0 7 99,-0.3 4,-3.0 1,-0.2 5,-2.3 0.693 89.2 71.0 -61.2 -20.8 -6.4 1.7 1.2 188 196 A I H <45S+ 0 0 1 -3,-1.3 -13,-0.4 1,-0.2 -1,-0.2 0.911 103.5 40.8 -59.1 -45.2 -5.5 3.7 4.4 189 197 A M H <<5S+ 0 0 0 -3,-1.1 -15,-2.3 -4,-0.6 -1,-0.2 0.586 125.3 39.2 -77.9 -13.7 -7.3 6.8 3.0 190 198 A L H <5S- 0 0 1 -4,-0.6 -2,-0.2 -3,-0.3 60,-0.2 0.861 134.9 -33.0-105.1 -54.1 -10.2 4.6 1.7 191 199 A N T <5S+ 0 0 22 -4,-3.0 -20,-1.4 -18,-0.1 2,-0.4 0.292 96.8 103.5-159.4 15.5 -11.2 1.7 4.0 192 200 A S B < -J 170 0E 2 -5,-2.3 -22,-0.2 -22,-0.2 -17,-0.1 -0.933 45.0-163.6-120.9 140.0 -8.2 0.3 6.0 193 201 A K - 0 0 77 -24,-2.2 -23,-0.1 -2,-0.4 -1,-0.1 0.465 56.4-110.6 -85.5 -8.2 -7.0 0.7 9.6 194 202 A G S S+ 0 0 0 -25,-0.3 -25,-0.1 -28,-0.1 -24,-0.1 0.873 76.2 135.6 75.4 42.5 -3.6 -0.7 8.5 195 203 A Y + 0 0 42 -30,-0.1 -30,-2.6 -26,-0.1 2,-0.3 0.138 48.2 80.4-106.1 14.8 -4.0 -4.1 10.4 196 204 A T S > S- 0 0 27 -32,-0.2 3,-1.6 -31,-0.1 4,-0.4 -0.896 84.2-117.1-124.8 157.3 -2.8 -6.4 7.5 197 205 A K T >> S+ 0 0 74 -2,-0.3 3,-1.2 1,-0.3 4,-1.2 0.775 106.7 74.2 -58.8 -31.6 0.7 -7.4 6.3 198 206 A S H 3> S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.737 84.6 67.3 -57.3 -25.6 0.0 -5.7 2.9 199 207 A I H <> S+ 0 0 5 -3,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.878 101.6 46.1 -63.5 -39.7 0.5 -2.3 4.5 200 208 A D H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.4 -1,-0.2 0.843 107.5 57.0 -71.1 -36.7 4.2 -2.9 5.1 201 209 A I H X S+ 0 0 2 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.893 104.5 52.9 -64.8 -39.0 4.8 -4.2 1.6 202 210 A W H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.935 108.4 49.7 -58.8 -47.9 3.4 -0.9 0.1 203 211 A S H X S+ 0 0 9 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.891 109.7 51.2 -59.8 -39.1 5.9 1.0 2.3 204 212 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.901 108.3 53.0 -63.4 -41.6 8.8 -1.3 1.0 205 213 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.917 109.0 48.7 -57.8 -45.3 7.6 -0.5 -2.6 206 214 A C H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 11,-0.4 0.870 111.4 50.4 -61.3 -41.2 7.8 3.2 -1.8 207 215 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.899 109.0 51.4 -65.8 -42.6 11.3 2.7 -0.4 208 216 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.946 110.4 48.1 -59.5 -49.2 12.4 0.8 -3.5 209 217 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 6,-0.3 0.891 111.6 50.9 -58.8 -40.1 11.2 3.6 -5.8 210 218 A E H X S+ 0 0 10 -4,-2.0 4,-2.5 1,-0.2 5,-0.4 0.853 107.2 53.3 -67.5 -35.0 13.0 6.1 -3.6 211 219 A M H < S+ 0 0 1 -4,-2.1 -100,-0.4 1,-0.2 -1,-0.2 0.807 107.0 53.8 -67.5 -30.8 16.3 4.1 -3.8 212 220 A L H < S+ 0 0 27 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.802 128.4 14.2 -74.4 -31.1 16.0 4.1 -7.7 213 221 A S H < S- 0 0 45 -4,-1.1 -2,-0.2 2,-0.2 -3,-0.1 0.441 92.1-121.1-126.1 -4.5 15.7 8.0 -8.0 214 222 A N S < S+ 0 0 46 -4,-2.5 -3,-0.1 1,-0.2 -4,-0.1 0.683 85.2 97.5 66.2 21.8 16.8 9.5 -4.6 215 223 A R S S- 0 0 189 -5,-0.4 -2,-0.2 -6,-0.3 -1,-0.2 -1.000 85.8-104.0-137.7 137.2 13.2 11.2 -4.4 216 224 A P - 0 0 37 0, 0.0 -9,-0.1 0, 0.0 -33,-0.0 -0.390 27.4-143.9 -60.9 131.9 10.0 10.0 -2.6 217 225 A I S S+ 0 0 16 -11,-0.4 -10,-0.0 1,-0.2 -11,-0.0 0.860 92.4 29.6 -67.6 -37.9 7.7 8.5 -5.3 218 226 A F + 0 0 1 -36,-0.3 2,-1.9 2,-0.1 -1,-0.2 -0.689 69.8 176.3-124.3 77.4 4.4 9.9 -3.6 219 227 A P - 0 0 45 0, 0.0 -37,-0.1 0, 0.0 7,-0.0 -0.395 14.1-174.0 -85.8 67.0 5.3 13.1 -1.8 220 228 A G - 0 0 0 -2,-1.9 -38,-0.1 1,-0.1 6,-0.1 -0.285 20.3-153.3 -58.5 136.9 1.7 14.0 -0.6 221 229 A K S S+ 0 0 162 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.562 75.6 4.3 -91.2 -10.7 1.5 17.5 1.1 222 230 A H S > S- 0 0 109 1,-0.1 4,-1.6 -41,-0.0 -1,-0.2 -0.952 93.5 -75.0-164.9 168.3 -1.6 16.5 3.2 223 231 A Y H > S+ 0 0 53 -2,-0.3 4,-0.6 1,-0.2 3,-0.4 0.812 126.2 28.9 -38.8 -64.8 -3.9 13.5 4.0 224 232 A L H >> S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.801 111.1 67.8 -76.8 -26.2 -6.0 13.3 0.7 225 233 A D H 3> S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.824 93.2 63.4 -57.5 -32.5 -3.2 14.7 -1.5 226 234 A Q H 3X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.4 -1,-0.2 0.911 102.1 47.2 -57.4 -46.1 -1.4 11.4 -0.7 227 235 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-0.9 0.930 116.2 43.2 -60.2 -48.9 -0.7 7.4 -5.8 231 239 A L H 3X S+ 0 0 12 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.789 104.0 66.5 -69.6 -26.8 -3.6 7.5 -8.4 232 240 A G H 3< S+ 0 0 29 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.778 116.7 26.2 -63.1 -27.9 -1.6 10.1 -10.5 233 241 A I H << S+ 0 0 23 -4,-0.9 30,-3.0 -3,-0.9 -2,-0.2 0.836 125.5 44.8-102.2 -48.7 1.0 7.3 -11.2 234 242 A L H < S- 0 0 20 -4,-2.9 28,-0.3 28,-0.2 -3,-0.2 0.765 100.8-141.6 -68.0 -28.1 -1.0 4.0 -10.9 235 243 A G < - 0 0 5 -4,-1.8 26,-0.2 -5,-0.3 -1,-0.1 -0.162 45.3 -24.8 86.5 174.8 -3.9 5.4 -12.9 236 244 A S S S- 0 0 48 24,-2.9 26,-0.1 1,-0.1 23,-0.1 -0.327 76.0-109.0 -58.0 130.8 -7.7 4.8 -12.3 237 245 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.343 38.6-104.6 -61.5 147.3 -8.3 1.5 -10.3 238 246 A S > - 0 0 56 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.125 27.9-106.0 -65.3 164.9 -9.9 -1.3 -12.4 239 247 A Q H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.915 123.2 51.1 -58.5 -44.4 -13.6 -2.3 -12.1 240 248 A E H > S+ 0 0 123 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.893 110.5 47.5 -60.2 -45.4 -12.5 -5.5 -10.2 241 249 A D H 4 S+ 0 0 19 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.873 113.1 49.5 -67.2 -35.2 -10.4 -3.4 -7.7 242 250 A L H >< S+ 0 0 21 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.900 104.1 57.9 -67.2 -42.7 -13.3 -0.9 -7.2 243 251 A N H 3< S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.688 98.0 62.6 -64.1 -17.5 -15.8 -3.7 -6.5 244 252 A C T 3< S+ 0 0 63 -4,-0.7 2,-0.9 -3,-0.5 -1,-0.3 0.642 89.4 76.8 -78.7 -18.1 -13.4 -4.8 -3.6 245 253 A I < + 0 0 9 -3,-2.0 -1,-0.1 -4,-0.3 6,-0.1 -0.840 58.6 173.9 -97.3 97.0 -14.1 -1.4 -2.0 246 254 A I + 0 0 86 -2,-0.9 2,-0.2 -55,-0.1 -1,-0.2 0.767 46.8 101.9 -73.8 -32.9 -17.7 -1.9 -0.5 247 255 A N > - 0 0 58 1,-0.1 4,-2.7 -76,-0.1 5,-0.2 -0.423 64.7-149.9 -60.7 121.0 -17.8 1.5 1.3 248 256 A L H > S+ 0 0 123 -2,-0.2 4,-3.1 2,-0.2 5,-0.3 0.855 92.8 52.8 -61.4 -43.0 -19.9 3.9 -0.8 249 257 A K H > S+ 0 0 164 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 115.1 41.6 -61.6 -44.3 -18.1 7.1 0.2 250 258 A A H > S+ 0 0 0 -60,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.932 118.0 46.4 -68.7 -45.9 -14.7 5.6 -0.7 251 259 A R H X S+ 0 0 67 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.911 113.4 48.1 -63.3 -45.8 -16.0 4.0 -3.9 252 260 A N H X S+ 0 0 86 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.818 107.4 56.8 -67.7 -29.9 -17.9 7.2 -5.1 253 261 A Y H < S+ 0 0 43 -4,-1.7 4,-0.5 -5,-0.3 3,-0.4 0.959 110.8 43.1 -62.0 -49.7 -14.9 9.3 -4.4 254 262 A L H >< S+ 0 0 10 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.905 113.9 52.0 -61.7 -42.0 -12.8 7.1 -6.8 255 263 A L H 3< S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.745 101.6 61.4 -64.5 -28.8 -15.7 7.0 -9.3 256 264 A S T 3< S+ 0 0 85 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.608 87.4 93.6 -73.1 -17.3 -15.9 10.9 -9.3 257 265 A L S < S- 0 0 55 -3,-1.1 3,-0.1 -4,-0.5 -3,-0.0 -0.593 84.3-111.2 -80.3 140.3 -12.4 11.2 -10.6 258 266 A P - 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.294 49.2 -82.8 -64.9 153.4 -11.7 11.5 -14.4 259 267 A H - 0 0 142 -4,-0.1 2,-0.4 -24,-0.1 -24,-0.0 -0.299 50.6-172.4 -57.6 136.7 -10.1 8.5 -16.0 260 268 A K - 0 0 110 -3,-0.1 -24,-2.9 -29,-0.0 2,-0.2 -0.997 14.7-136.2-136.2 129.4 -6.3 8.5 -15.6 261 269 A N - 0 0 118 -2,-0.4 -26,-0.3 -26,-0.2 2,-0.1 -0.577 33.0 -93.1 -86.0 153.1 -3.9 6.1 -17.3 262 270 A K - 0 0 92 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.365 30.3-131.6 -61.7 132.2 -0.9 4.4 -15.6 263 271 A V - 0 0 27 -30,-3.0 -1,-0.1 -2,-0.1 5,-0.1 -0.826 35.5-116.8 -83.3 118.8 2.4 6.2 -15.8 264 272 A P >> - 0 0 40 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.373 9.7-131.3 -64.6 141.7 4.8 3.4 -16.9 265 273 A W H 3> S+ 0 0 18 1,-0.3 4,-2.5 2,-0.2 3,-0.0 0.841 107.4 60.4 -58.3 -34.8 7.6 2.6 -14.4 266 274 A N H 34 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.639 103.4 51.6 -71.2 -14.0 10.2 2.7 -17.2 267 275 A R H <4 S+ 0 0 178 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.818 114.9 41.1 -86.1 -37.1 9.3 6.4 -17.8 268 276 A L H < S+ 0 0 65 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.821 131.1 27.5 -77.1 -33.5 9.7 7.3 -14.1 269 277 A F >< + 0 0 13 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.2 -0.640 68.1 163.7-129.7 72.2 12.9 5.2 -13.8 270 278 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.763 79.4 46.0 -67.0 -22.8 14.6 5.0 -17.2 271 279 A N T 3 S+ 0 0 106 -59,-0.1 -5,-0.1 2,-0.1 2,-0.0 0.528 90.6 112.9 -94.4 -8.1 18.0 3.8 -15.8 272 280 A A S < S- 0 0 25 -3,-0.9 2,-0.1 1,-0.1 -3,-0.1 -0.314 77.9 -99.4 -69.4 149.0 16.5 1.1 -13.5 273 281 A D > - 0 0 52 1,-0.1 4,-1.6 -2,-0.0 5,-0.1 -0.393 28.6-130.9 -60.5 134.6 16.9 -2.7 -13.9 274 282 A S H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.828 108.0 54.2 -63.4 -33.6 13.8 -4.2 -15.6 275 283 A K H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.876 106.1 52.5 -68.2 -37.3 13.5 -6.9 -12.9 276 284 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.882 109.9 49.4 -62.9 -38.6 13.5 -4.2 -10.1 277 285 A L H X S+ 0 0 17 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.816 107.8 53.1 -72.6 -31.4 10.6 -2.5 -11.9 278 286 A D H X S+ 0 0 72 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.906 113.1 43.7 -68.7 -41.2 8.6 -5.7 -12.2 279 287 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.902 111.2 55.2 -69.5 -39.0 9.0 -6.3 -8.4 280 288 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.910 106.3 51.4 -56.9 -46.4 8.2 -2.5 -7.8 281 289 A D H < S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 110.0 49.7 -58.6 -39.9 4.9 -3.0 -9.8 282 290 A K H >< S+ 0 0 77 -4,-1.3 10,-1.8 1,-0.2 3,-0.6 0.828 114.6 43.2 -72.2 -34.4 4.0 -6.0 -7.6 283 291 A M H 3< S+ 0 0 0 -4,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.857 113.1 52.6 -78.6 -37.1 4.7 -4.2 -4.3 284 292 A L T 3< S+ 0 0 1 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.251 78.8 142.5 -94.3 46.2 2.9 -1.0 -5.5 285 293 A T < - 0 0 30 -3,-0.6 6,-0.1 -2,-0.4 -3,-0.1 -0.744 50.2-140.9 -87.5 129.3 -0.2 -2.8 -6.5 286 294 A F S S+ 0 0 19 -2,-0.4 -99,-0.3 -52,-0.1 -1,-0.1 0.927 87.4 69.3 -56.2 -53.0 -3.4 -0.8 -5.7 287 295 A N S >> S- 0 0 7 1,-0.2 4,-1.0 -101,-0.1 3,-0.9 -0.607 73.4-153.3 -72.7 115.9 -5.5 -3.9 -4.5 288 296 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.807 95.1 55.7 -62.1 -27.1 -4.0 -5.1 -1.1 289 297 A H T 34 S+ 0 0 158 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.788 111.5 43.1 -72.4 -28.5 -5.2 -8.7 -1.8 290 298 A K T <4 S+ 0 0 92 -3,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.563 91.3 112.7 -90.0 -14.8 -3.3 -8.7 -5.1 291 299 A R S < S- 0 0 8 -4,-1.0 -8,-0.2 -6,-0.1 -9,-0.1 -0.365 79.3-100.9 -62.5 138.3 -0.2 -7.1 -3.6 292 300 A I - 0 0 15 -10,-1.8 2,-0.2 -13,-0.1 -1,-0.1 -0.251 35.6-131.0 -59.4 142.1 2.9 -9.3 -3.4 293 301 A E > - 0 0 119 -3,-0.1 4,-2.3 1,-0.1 3,-0.3 -0.565 26.0-102.4 -92.9 163.9 3.6 -10.9 0.0 294 302 A V H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -166,-0.1 0.861 120.4 49.0 -56.8 -41.3 7.1 -10.8 1.7 295 303 A E H > S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.853 112.7 48.3 -70.5 -32.8 8.0 -14.5 0.8 296 304 A Q H 4 S+ 0 0 109 -3,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.864 108.8 54.5 -67.2 -40.7 7.0 -14.0 -2.9 297 305 A A H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 6,-0.3 0.918 106.9 50.3 -60.2 -43.8 9.0 -10.7 -3.0 298 306 A L H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.7 51.7 -62.7 -34.1 12.2 -12.6 -1.7 299 307 A A T 3< S+ 0 0 50 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.393 84.1 119.5 -83.4 0.1 11.6 -15.3 -4.5 300 308 A H S X S- 0 0 14 -3,-1.4 3,-2.2 -4,-0.3 4,-0.2 -0.429 77.1-117.8 -68.7 140.9 11.4 -12.6 -7.3 301 309 A P G > S+ 0 0 68 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.768 111.0 69.3 -49.6 -28.7 14.0 -12.9 -10.1 302 310 A Y G 3 S+ 0 0 8 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.833 105.2 40.3 -60.3 -30.5 15.4 -9.4 -9.1 303 311 A L G X> S+ 0 0 0 -3,-2.2 4,-2.3 -6,-0.3 3,-1.6 0.146 78.6 118.5-105.9 21.9 16.7 -10.9 -5.8 304 312 A E T <4 + 0 0 141 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.794 68.3 62.1 -56.4 -35.4 18.0 -14.2 -7.3 305 313 A Q T 34 S+ 0 0 141 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.767 119.9 24.4 -64.5 -25.4 21.6 -13.5 -6.3 306 314 A Y T <4 S+ 0 0 80 -3,-1.6 -2,-0.2 -8,-0.1 -1,-0.2 0.645 86.8 121.5-112.4 -24.2 20.6 -13.5 -2.5 307 315 A Y < + 0 0 95 -4,-2.3 -8,-0.1 -9,-0.1 5,-0.0 -0.267 20.5 144.6 -55.1 121.0 17.4 -15.7 -2.3 308 316 A D > - 0 0 69 -2,-0.1 3,-2.2 1,-0.0 -1,-0.0 -0.714 28.9-166.5-155.3 93.7 17.9 -18.6 0.1 309 317 A P G > S+ 0 0 64 0, 0.0 3,-1.1 0, 0.0 -1,-0.0 0.788 90.9 59.0 -61.9 -23.8 14.7 -19.4 2.1 310 318 A S G 3 S+ 0 0 105 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.624 107.9 46.6 -75.2 -15.2 16.7 -21.7 4.5 311 319 A D G < S+ 0 0 86 -3,-2.2 -1,-0.2 1,-0.1 0, 0.0 0.048 96.3 80.6-111.8 20.7 18.8 -18.6 5.3 312 320 A E S < S- 0 0 3 -3,-1.1 -1,-0.1 -184,-0.0 -186,-0.0 -0.791 77.4-159.1-123.9 77.2 15.7 -16.4 5.8 313 321 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.193 5.6-148.7 -68.7 157.0 14.6 -17.3 9.4 314 322 A I - 0 0 98 -182,-0.1 -185,-0.1 1,-0.1 -184,-0.1 -0.764 33.2 -81.0-116.1 164.5 11.2 -16.9 10.9 315 323 A A - 0 0 13 -186,-0.5 -1,-0.1 -2,-0.3 -247,-0.1 -0.346 31.2-128.9 -69.0 144.6 10.1 -16.2 14.5 316 324 A E S S+ 0 0 204 1,-0.1 -1,-0.1 -2,-0.1 -183,-0.0 0.725 90.2 5.0 -67.8 -23.4 9.9 -19.2 16.9 317 325 A A S S- 0 0 52 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.982 86.4 -94.9-155.1 153.5 6.3 -18.3 18.0 318 326 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -184,-0.2 -0.398 43.4-115.9 -71.3 154.0 3.7 -15.7 17.0 319 327 A F 0 0 18 -186,-3.8 -255,-0.0 1,-0.1 -4,-0.0 -0.745 360.0 360.0 -92.6 138.8 3.6 -12.4 19.0 320 328 A K 0 0 178 -2,-0.3 -1,-0.1 -157,-0.1 -187,-0.0 -0.595 360.0 360.0-171.1 360.0 0.5 -11.5 21.1 321 ! 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 0.0 322 332 A E 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 49.8 -4.6 -3.9 24.0 323 333 A L > + 0 0 29 1,-0.1 3,-0.7 3,-0.0 8,-0.1 0.535 360.0 79.8-105.4 -12.7 -2.3 -0.9 24.9 324 334 A D T 3 S+ 0 0 67 1,-0.3 2,-0.6 -268,-0.0 -1,-0.1 0.877 96.2 43.5 -64.0 -43.3 -4.4 1.8 23.2 325 335 A D T 3 S+ 0 0 98 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.477 91.3 108.0-104.6 59.4 -7.0 2.1 26.1 326 336 A L S < S- 0 0 43 -3,-0.7 -270,-0.1 -2,-0.6 5,-0.1 -1.000 71.3-113.3-134.9 128.5 -4.5 2.1 29.0 327 337 A P >> - 0 0 78 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.305 25.1-118.5 -63.2 150.0 -3.6 5.1 31.2 328 338 A K H 3> S+ 0 0 59 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.779 116.1 57.0 -57.7 -29.7 0.0 6.4 31.0 329 339 A E H 3> S+ 0 0 116 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.840 109.7 44.3 -71.3 -34.5 0.5 5.6 34.8 330 340 A K H <> S+ 0 0 88 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.865 111.9 52.8 -74.3 -39.0 -0.4 1.9 34.0 331 341 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.887 105.4 55.3 -63.6 -36.8 1.9 2.0 30.9 332 342 A K H X S+ 0 0 36 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.882 106.7 51.5 -59.8 -42.0 4.8 3.3 33.1 333 343 A E H X S+ 0 0 97 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.866 110.8 46.6 -62.9 -42.4 4.2 0.2 35.4 334 344 A L H X S+ 0 0 47 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.858 111.1 52.1 -71.1 -34.6 4.4 -2.2 32.4 335 345 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.935 110.3 49.4 -66.1 -44.8 7.5 -0.4 31.1 336 346 A F H < S+ 0 0 30 -4,-2.5 4,-0.4 1,-0.2 3,-0.4 0.934 113.8 45.4 -57.4 -49.4 9.1 -0.9 34.6 337 347 A E H >< S+ 0 0 130 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.878 111.8 51.7 -63.1 -40.8 8.2 -4.6 34.6 338 348 A E H 3< S+ 0 0 51 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.733 112.8 45.2 -69.7 -25.8 9.4 -5.2 31.0 339 349 A T T >< S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.4 -1,-0.2 0.387 84.5 98.1 -98.3 0.9 12.9 -3.6 31.7 340 350 A A G X + 0 0 45 -3,-0.9 3,-1.7 -4,-0.4 -1,-0.2 0.802 69.5 68.3 -60.0 -35.8 13.4 -5.4 35.1 341 351 A R G 3 S+ 0 0 170 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.646 95.5 56.9 -61.1 -19.1 15.7 -8.2 33.6 342 352 A F G < S+ 0 0 50 -3,-1.3 -1,-0.3 -263,-0.1 -2,-0.2 0.484 82.8 104.7 -93.9 -3.1 18.5 -5.6 32.9 343 353 A Q < 0 0 60 -3,-1.7 -263,-0.0 -4,-0.2 -261,-0.0 -0.514 360.0 360.0 -77.2 144.1 18.8 -4.4 36.6 344 354 A P 0 0 173 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.980 360.0 360.0 -75.9 360.0 21.9 -5.7 38.6