==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUN-12 4FV2 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 345 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 60.6 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 . 12 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 29.6 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 0 1 1 0 2 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 1 0 1 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 0 144 0, 0.0 9,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 135.8 26.7 12.4 35.1 2 10 A E - 0 0 78 7,-0.4 7,-1.9 6,-0.1 2,-0.3 -0.388 360.0-149.8 -69.8 145.3 27.6 13.2 31.5 3 11 A M B -A 8 0A 80 5,-0.2 2,-0.3 -2,-0.1 5,-0.2 -0.897 13.7-176.9-118.8 147.5 25.6 15.9 29.6 4 12 A V - 0 0 21 3,-2.1 3,-0.3 -2,-0.3 15,-0.1 -0.967 69.6 -9.6-150.9 128.0 24.9 16.2 25.9 5 13 A R S S- 0 0 78 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.790 129.1 -55.3 51.7 38.5 23.0 18.9 23.9 6 14 A G S S+ 0 0 81 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.916 115.9 108.4 64.2 48.0 21.9 20.5 27.2 7 15 A Q S S- 0 0 77 -3,-0.3 -3,-2.1 2,-0.0 -1,-0.2 -0.973 72.9-106.1-153.9 140.2 20.3 17.3 28.6 8 16 A V B -A 3 0A 76 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.456 28.9-178.5 -68.6 132.2 21.2 14.7 31.3 9 17 A F + 0 0 1 -7,-1.9 2,-1.4 -2,-0.2 -7,-0.4 -0.693 5.4 177.1-132.7 72.0 22.4 11.3 30.0 10 18 A D + 0 0 84 -2,-0.2 82,-0.1 1,-0.2 -2,-0.1 -0.635 30.9 128.7 -87.0 85.8 23.0 9.2 33.2 11 19 A V > + 0 0 4 -2,-1.4 4,-0.8 4,-0.2 3,-0.3 0.447 49.1 159.5-113.9 -9.8 24.0 5.8 31.7 12 20 A G T 4 + 0 0 52 -3,-0.2 4,-0.1 1,-0.2 -2,-0.0 -0.032 35.0 25.9 -66.4 168.2 27.2 5.3 33.8 13 21 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 -0.987 125.9 43.1 -79.6 -17.1 29.4 3.7 35.0 14 22 A R T 4 S+ 0 0 82 -3,-0.3 21,-2.8 1,-0.1 2,-0.5 0.832 116.5 46.9 -57.4 -39.8 29.0 1.0 32.2 15 23 A Y E < S+B 34 0B 2 -4,-0.8 -4,-0.2 19,-0.2 2,-0.2 -0.936 70.2 156.2-117.6 125.7 28.6 3.5 29.3 16 24 A T E +B 33 0B 39 17,-1.7 17,-3.5 -2,-0.5 -2,-0.0 -0.801 41.6 51.2-135.6 175.8 30.9 6.5 28.7 17 25 A N E S- 0 0 111 -2,-0.2 2,-0.2 15,-0.2 -1,-0.2 0.977 71.0-161.2 52.4 66.6 32.3 9.0 26.0 18 26 A L E - 0 0 23 14,-0.1 2,-0.3 -3,-0.1 14,-0.2 -0.540 14.4-175.2 -78.4 142.3 28.9 10.0 24.7 19 27 A S E -B 31 0B 64 12,-1.9 12,-3.2 -2,-0.2 -15,-0.1 -0.992 29.1-111.1-140.4 129.3 28.5 11.6 21.2 20 28 A Y E +B 30 0B 109 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.254 38.3 163.1 -59.4 143.8 25.2 13.0 19.8 21 29 A I E - 0 0 62 8,-1.8 2,-0.3 1,-0.4 9,-0.2 0.596 57.0 -53.5-123.1 -61.6 23.6 11.1 16.8 22 30 A G E -B 29 0B 21 7,-1.2 7,-3.0 2,-0.0 -1,-0.4 -0.948 47.3-139.6-169.7-178.2 19.9 12.3 16.5 23 31 A E E -B 28 0B 126 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.941 2.4-150.8-153.9 172.7 16.6 12.7 18.3 24 32 A G - 0 0 45 3,-1.9 5,-0.0 -2,-0.3 -2,-0.0 -0.544 47.0 -82.6-129.4-166.8 12.8 12.5 18.4 25 33 A A S S+ 0 0 94 -2,-0.2 29,-0.0 1,-0.2 3,-0.0 0.848 127.7 18.6 -74.2 -38.5 9.8 14.2 20.2 26 34 A Y S S+ 0 0 25 28,-0.0 21,-3.2 22,-0.0 2,-0.3 0.192 127.4 43.8-117.8 11.1 10.1 12.2 23.4 27 35 A G E - C 0 46B 19 19,-0.3 -3,-1.9 21,-0.1 2,-0.3 -0.895 54.0-150.2-150.0 178.8 13.6 10.8 23.0 28 36 A M E -BC 23 45B 2 17,-2.6 17,-3.6 -2,-0.3 2,-0.4 -0.964 13.1-147.9-156.2 136.4 17.3 11.3 22.1 29 37 A V E +BC 22 44B 38 -7,-3.0 -8,-1.8 -2,-0.3 -7,-1.2 -0.909 19.0 171.7-115.7 135.8 20.0 8.9 20.7 30 38 A C E -BC 20 43B 0 13,-2.5 13,-3.1 -2,-0.4 2,-0.3 -0.946 31.4-120.9-133.1 156.3 23.8 9.0 21.5 31 39 A S E +BC 19 42B 15 -12,-3.2 -12,-1.9 -2,-0.3 2,-0.3 -0.731 40.0 171.9 -92.6 145.2 26.8 6.8 20.7 32 40 A A E - C 0 41B 0 9,-2.2 9,-3.5 -2,-0.3 2,-0.5 -0.980 34.6-107.0-153.9 157.9 28.7 5.5 23.8 33 41 A Y E -BC 16 40B 83 -17,-3.5 -17,-1.7 -2,-0.3 2,-0.7 -0.801 25.1-141.7 -94.4 121.3 31.5 3.1 24.8 34 42 A D E >> -BC 15 39B 2 5,-3.4 4,-1.6 -2,-0.5 5,-0.8 -0.747 9.5-164.6 -82.2 112.9 30.4 -0.2 26.6 35 43 A N T 45S+ 0 0 79 -21,-2.8 -1,-0.2 -2,-0.7 -20,-0.1 0.744 86.9 49.9 -71.2 -24.0 33.0 -0.9 29.3 36 44 A V T 45S+ 0 0 104 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.0 0.941 124.0 26.4 -79.2 -51.9 31.8 -4.5 29.7 37 45 A N T 45S- 0 0 99 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.522 99.4-131.7 -91.0 -7.1 31.8 -5.6 26.0 38 46 A K T <5 + 0 0 59 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.870 68.1 112.5 56.0 45.7 34.5 -3.0 24.9 39 47 A V E + 0 0 0 0, 0.0 3,-1.4 0, 0.0 7,-0.4 0.485 34.6 97.7-105.7 -4.1 7.7 9.3 27.7 49 57 A F T 3 S+ 0 0 30 40,-0.4 284,-0.1 1,-0.3 283,-0.1 0.690 76.0 64.2 -65.9 -18.2 5.8 9.3 31.1 50 58 A E T 3 S+ 0 0 172 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.700 106.6 43.2 -77.6 -21.8 4.1 12.7 30.5 51 59 A H <> - 0 0 98 -3,-1.4 4,-1.6 1,-0.1 3,-0.3 -0.991 68.5-147.4-133.1 128.7 2.1 11.4 27.5 52 60 A Q H > S+ 0 0 87 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.743 100.1 58.1 -63.1 -28.0 0.2 8.1 27.2 53 61 A T H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 107.6 47.2 -67.5 -43.7 0.8 7.8 23.4 54 62 A Y H > S+ 0 0 69 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.842 112.4 50.8 -64.5 -35.5 4.6 8.0 24.1 55 63 A C H X S+ 0 0 0 -4,-1.6 4,-2.5 -7,-0.4 -2,-0.2 0.913 110.1 49.1 -65.9 -48.1 4.2 5.3 26.8 56 64 A Q H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.914 113.9 45.5 -57.6 -48.3 2.2 3.0 24.5 57 65 A R H X S+ 0 0 94 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.860 113.1 50.7 -64.4 -41.8 4.9 3.4 21.7 58 66 A T H X S+ 0 0 15 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.919 114.2 44.1 -59.6 -49.2 7.8 2.8 24.2 59 67 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.903 112.0 51.3 -64.6 -48.8 6.1 -0.3 25.6 60 68 A R H X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.923 114.6 44.5 -53.9 -48.9 5.1 -1.8 22.1 61 69 A E H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.926 113.5 48.6 -65.9 -45.6 8.7 -1.4 20.9 62 70 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.941 114.2 46.2 -60.1 -50.4 10.4 -2.8 24.1 63 71 A K H X S+ 0 0 51 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.913 117.3 43.2 -58.5 -47.9 8.1 -5.9 24.2 64 72 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 3,-0.5 0.947 114.9 47.2 -64.5 -51.8 8.6 -6.7 20.5 65 73 A L H < S+ 0 0 4 -4,-2.8 11,-0.5 1,-0.2 -1,-0.2 0.768 108.6 56.0 -69.1 -22.3 12.4 -6.0 20.3 66 74 A L H < S+ 0 0 24 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.847 112.6 41.7 -75.7 -31.0 13.0 -8.1 23.4 67 75 A R H < S+ 0 0 130 -4,-1.3 2,-0.3 -3,-0.5 -2,-0.2 0.717 104.4 83.5 -85.8 -20.3 11.2 -11.1 21.8 68 76 A F < + 0 0 17 -4,-1.6 2,-0.3 -5,-0.1 62,-0.0 -0.606 47.0 173.5 -88.5 145.8 12.8 -10.6 18.4 69 77 A R + 0 0 224 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.838 24.7 132.7-149.0 101.5 16.3 -11.8 17.3 70 78 A H > - 0 0 17 3,-0.4 3,-1.9 -2,-0.3 56,-0.0 -0.970 58.2-124.8-154.6 139.0 17.2 -11.3 13.7 71 79 A E T 3 S+ 0 0 130 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.721 112.1 47.5 -53.9 -31.2 20.3 -9.9 11.8 72 80 A N T 3 S+ 0 0 7 82,-0.1 83,-2.8 2,-0.1 2,-0.4 0.131 101.4 76.9-102.7 20.5 18.1 -7.3 9.9 73 81 A I B < S-f 155 0C 6 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -0.998 86.6-114.0-130.7 129.5 16.2 -6.0 13.0 74 82 A I - 0 0 8 81,-2.9 2,-0.2 -2,-0.4 -6,-0.1 -0.267 37.3-144.9 -59.4 139.1 17.7 -3.7 15.6 75 83 A G - 0 0 19 -4,-0.1 2,-0.5 -6,-0.1 21,-0.5 -0.533 13.6-127.7-101.2 170.4 18.1 -5.3 19.0 76 84 A I + 0 0 17 -11,-0.5 19,-0.2 -2,-0.2 3,-0.1 -0.977 28.7 174.0-114.5 103.2 17.8 -4.2 22.6 77 85 A N - 0 0 84 17,-2.3 2,-0.3 -2,-0.5 18,-0.2 0.731 66.5 -10.1 -81.3 -29.3 21.1 -5.3 24.3 78 86 A D E -E 94 0B 17 16,-1.1 16,-3.2 2,-0.0 2,-0.4 -0.975 56.4-141.6-164.6 159.6 20.4 -3.6 27.6 79 87 A I E -E 93 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.991 14.1-161.9-134.7 124.5 18.0 -1.2 29.3 80 88 A I E +E 92 0B 32 12,-2.8 12,-3.1 -2,-0.4 2,-0.3 -0.920 27.7 135.7-107.9 133.7 19.1 1.5 31.9 81 89 A R - 0 0 17 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.946 57.7 -72.4-163.3 166.4 16.6 3.1 34.3 82 90 A A - 0 0 28 8,-0.5 6,-0.1 -2,-0.3 262,-0.0 -0.254 46.7-113.0 -62.3 154.8 16.3 4.1 38.0 83 91 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.629 96.1 43.8 -69.1 -13.4 15.8 1.2 40.5 84 92 A T S > S- 0 0 48 1,-0.1 4,-1.0 0, 0.0 -2,-0.1 -0.928 80.4-121.6-130.8 157.6 12.3 2.3 41.5 85 93 A I T >4 S+ 0 0 54 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.910 114.0 54.3 -58.5 -45.8 9.1 3.6 39.6 86 94 A E T 34 S+ 0 0 165 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.847 112.9 40.7 -57.2 -43.2 9.2 6.8 41.6 87 95 A Q T 34 S+ 0 0 132 -3,-0.1 2,-0.9 2,-0.0 -1,-0.2 0.559 91.5 102.3 -83.8 -13.0 12.8 7.6 40.7 88 96 A M << + 0 0 1 -4,-1.0 3,-0.1 -3,-0.7 249,-0.1 -0.669 29.0 145.7 -79.4 103.0 12.4 6.5 37.0 89 97 A K + 0 0 64 -2,-0.9 -40,-0.4 1,-0.2 2,-0.3 0.625 69.4 24.5-107.5 -23.6 12.0 9.7 34.9 90 98 A D - 0 0 37 -3,-0.2 -8,-0.5 -43,-0.1 2,-0.4 -0.932 64.5-145.6-138.9 158.7 13.8 8.4 31.8 91 99 A V E -D 46 0B 0 -45,-2.6 -45,-3.0 -2,-0.3 2,-0.5 -0.987 10.8-155.6-125.3 135.7 14.5 5.0 30.1 92 100 A Y E -DE 45 80B 4 -12,-3.1 -12,-2.8 -2,-0.4 2,-0.6 -0.970 4.9-162.4-114.9 122.1 17.7 4.2 28.2 93 101 A I E -DE 44 79B 1 -49,-2.6 -49,-2.7 -2,-0.5 2,-0.5 -0.936 9.8-147.4-108.8 120.9 17.6 1.5 25.6 94 102 A V E +DE 43 78B 0 -16,-3.2 -17,-2.3 -2,-0.6 -16,-1.1 -0.783 32.9 161.5 -88.7 122.0 21.0 0.2 24.5 95 103 A Q E -D 42 0B 11 -53,-3.3 -53,-2.5 -2,-0.5 -19,-0.2 -0.837 44.0 -59.7-135.6 174.1 20.9 -0.9 20.8 96 104 A D - 0 0 42 -21,-0.5 2,-0.5 -2,-0.3 -55,-0.1 -0.275 50.2-129.8 -56.0 135.6 23.1 -1.7 17.8 97 105 A L - 0 0 60 -57,-0.4 2,-0.4 -55,-0.1 -1,-0.1 -0.818 29.2-175.8 -92.8 128.5 25.3 1.3 16.7 98 106 A M - 0 0 23 -2,-0.5 50,-0.2 1,-0.1 55,-0.0 -0.995 27.5-137.7-130.7 136.1 25.0 2.0 13.0 99 107 A E S S- 0 0 126 -2,-0.4 2,-0.2 47,-0.1 49,-0.2 0.861 78.3 -13.8 -56.2 -50.7 26.9 4.7 10.9 100 108 A T E -G 147 0C 22 47,-2.9 47,-2.9 4,-0.0 2,-0.3 -0.728 58.6-124.4-142.8-170.0 24.0 5.9 8.8 101 109 A D E > -G 146 0C 23 45,-0.3 4,-2.4 -2,-0.2 45,-0.2 -0.908 34.2-107.3-138.6 164.0 20.4 5.4 7.7 102 110 A L H > S+ 0 0 0 43,-2.4 4,-2.3 40,-1.0 41,-0.2 0.780 117.6 57.9 -67.1 -27.6 18.8 5.1 4.2 103 111 A Y H > S+ 0 0 117 39,-0.9 4,-1.0 42,-0.3 -1,-0.2 0.974 111.1 43.0 -62.9 -51.3 17.2 8.6 4.6 104 112 A K H >> S+ 0 0 83 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.918 115.3 49.9 -58.1 -49.2 20.7 10.2 5.1 105 113 A L H >X S+ 0 0 16 -4,-2.4 4,-2.9 1,-0.2 3,-0.8 0.853 106.7 54.1 -57.5 -46.8 22.2 8.1 2.3 106 114 A L H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.712 97.6 65.2 -67.8 -21.4 19.5 9.0 -0.3 107 115 A K H << S+ 0 0 137 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.834 125.8 7.0 -66.5 -34.4 20.0 12.7 0.2 108 116 A T H << S+ 0 0 105 -3,-0.8 2,-0.5 -4,-0.7 -2,-0.2 0.556 112.4 79.3-126.9 -12.3 23.6 12.6 -1.2 109 117 A Q < - 0 0 100 -4,-2.9 2,-0.3 -5,-0.2 -1,-0.1 -0.905 59.1-144.4-115.5 128.9 24.4 9.1 -2.6 110 118 A H - 0 0 159 -2,-0.5 2,-0.4 -3,-0.1 102,-0.1 -0.629 28.4-136.3 -75.4 131.5 23.5 7.5 -5.9 111 119 A L - 0 0 10 100,-0.4 2,-0.1 -2,-0.3 -1,-0.0 -0.835 9.2-131.2 -94.8 134.8 22.9 3.8 -5.2 112 120 A S > - 0 0 46 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.415 29.4-109.0 -70.3 159.9 24.3 1.2 -7.7 113 121 A N H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.882 122.8 55.6 -56.7 -37.0 21.8 -1.5 -8.8 114 122 A D H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 108.2 47.6 -62.6 -39.9 23.8 -4.0 -6.6 115 123 A H H > S+ 0 0 77 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.921 112.8 48.1 -65.7 -45.5 23.3 -1.7 -3.6 116 124 A I H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.921 113.9 47.9 -59.7 -46.5 19.5 -1.4 -4.3 117 125 A C H X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.941 115.6 43.3 -59.0 -51.0 19.2 -5.2 -4.8 118 126 A Y H X S+ 0 0 62 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.867 114.5 49.9 -64.9 -42.2 21.1 -5.9 -1.5 119 127 A F H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.944 112.7 46.6 -63.4 -47.5 19.2 -3.2 0.5 120 128 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.906 110.1 54.3 -62.0 -42.1 15.8 -4.5 -0.7 121 129 A Y H X S+ 0 0 15 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.926 110.9 45.0 -55.6 -48.1 16.9 -8.1 0.1 122 130 A Q H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.855 111.5 53.1 -67.9 -35.2 17.8 -7.2 3.7 123 131 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.952 114.5 41.4 -60.4 -51.6 14.6 -5.2 4.2 124 132 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.804 112.2 54.8 -68.7 -32.8 12.4 -8.1 3.0 125 133 A R H X S+ 0 0 15 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.943 113.5 42.1 -67.0 -45.6 14.5 -10.7 4.9 126 134 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.925 114.3 52.6 -62.9 -44.1 13.9 -8.6 8.1 127 135 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.851 102.3 58.7 -63.4 -35.0 10.2 -8.1 7.1 128 136 A K H X S+ 0 0 18 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.933 108.4 45.6 -58.8 -45.6 9.7 -11.9 6.6 129 137 A Y H X S+ 0 0 20 -4,-1.3 4,-0.9 2,-0.2 186,-0.5 0.927 113.0 49.8 -63.9 -46.4 10.7 -12.5 10.3 130 138 A I H ><>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-1.1 0.949 115.3 43.2 -55.0 -54.5 8.4 -9.6 11.5 131 139 A H H ><5S+ 0 0 6 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.809 106.6 60.9 -64.9 -31.6 5.4 -10.9 9.5 132 140 A S H 3<5S+ 0 0 39 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.745 101.3 54.5 -68.6 -19.7 6.1 -14.5 10.6 133 141 A A T <<5S- 0 0 1 -3,-1.1 186,-3.2 -4,-0.9 -1,-0.3 0.321 121.8-111.8 -89.3 3.1 5.6 -13.3 14.3 134 142 A N T < 5S+ 0 0 56 -3,-1.7 30,-2.8 1,-0.3 2,-0.4 0.750 76.9 135.2 67.6 29.6 2.1 -11.9 13.1 135 143 A V E < -I 163 0D 0 -5,-1.8 2,-0.4 28,-0.2 -1,-0.3 -0.857 45.9-153.0-110.6 143.0 3.5 -8.4 13.7 136 144 A L E -I 162 0D 0 26,-2.9 26,-1.5 -2,-0.4 61,-0.1 -0.944 5.7-156.3-108.0 134.8 3.1 -5.3 11.4 137 145 A H - 0 0 0 -2,-0.4 23,-0.3 24,-0.2 -1,-0.1 0.938 19.0-173.7 -73.3 -50.2 5.9 -2.6 11.5 138 146 A R + 0 0 30 59,-0.1 42,-0.1 23,-0.1 -1,-0.1 0.377 66.8 62.1 71.9 6.5 3.4 0.1 10.1 139 147 A D + 0 0 15 18,-0.1 2,-0.3 40,-0.1 5,-0.1 -0.077 62.1 157.5-147.1 41.5 6.1 2.9 9.8 140 148 A L + 0 0 0 43,-0.1 17,-0.0 3,-0.1 5,-0.0 -0.525 17.2 134.4 -74.2 130.1 8.6 1.6 7.2 141 149 A K > - 0 0 43 -2,-0.3 3,-1.9 65,-0.0 -39,-0.1 -0.936 69.5 -88.9-164.4 163.5 10.5 4.4 5.6 142 150 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -40,-1.0 0.831 122.5 58.6 -56.6 -32.3 14.2 5.2 4.8 143 151 A S G 3 S+ 0 0 40 1,-0.3 -3,-0.1 -41,-0.2 -39,-0.0 0.676 102.4 55.7 -73.3 -12.2 14.9 6.9 8.2 144 152 A N G < S+ 0 0 10 -3,-1.9 12,-2.5 -5,-0.1 2,-0.6 0.188 91.4 83.6-100.6 15.5 13.8 3.5 9.9 145 153 A L E < - H 0 155C 0 -3,-1.6 -43,-2.4 10,-0.2 -42,-0.3 -0.943 67.9-162.5-120.4 103.8 16.4 1.6 8.0 146 154 A L E -GH 101 154C 30 8,-2.8 8,-2.2 -2,-0.6 2,-0.4 -0.624 4.4-166.1 -87.6 146.1 19.8 1.8 9.6 147 155 A L E -GH 100 153C 0 -47,-2.9 -47,-2.9 -2,-0.2 6,-0.2 -0.992 6.9-153.2-133.3 142.1 23.1 0.9 7.8 148 156 A N > - 0 0 37 4,-1.5 3,-1.9 -2,-0.4 -50,-0.1 -0.423 46.0 -83.4-101.0-176.3 26.6 0.3 9.0 149 157 A T T 3 S+ 0 0 97 1,-0.3 -51,-0.0 -2,-0.1 -2,-0.0 0.617 129.0 50.8 -66.0 -17.8 29.9 0.8 7.0 150 158 A T T 3 S- 0 0 96 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.141 120.9-105.0-105.2 17.4 29.6 -2.6 5.3 151 159 A X < + 0 0 54 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.677 64.1 157.6 69.2 18.9 26.0 -2.0 4.1 152 160 A D - 0 0 59 -30,-0.0 -4,-1.5 1,-0.0 2,-0.4 -0.622 30.8-147.3 -72.3 133.3 24.4 -4.3 6.8 153 161 A L E - H 0 147C 0 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.897 18.6-176.4-110.1 137.5 20.8 -3.1 7.1 154 162 A K E - H 0 146C 35 -8,-2.2 -8,-2.8 -2,-0.4 2,-0.3 -0.997 22.8-132.5-134.3 129.8 18.7 -3.2 10.3 155 163 A I E -fH 73 145C 0 -83,-2.8 -81,-2.9 -2,-0.4 -10,-0.2 -0.637 34.5-179.6 -76.4 130.8 15.0 -2.2 10.7 156 164 A C + 0 0 17 -12,-2.5 -12,-0.0 -2,-0.3 -81,-0.0 -0.685 37.9 55.1-125.9 177.7 14.4 0.1 13.7 157 165 A D + 0 0 56 -2,-0.2 3,-0.3 1,-0.1 -1,-0.1 0.996 38.6 176.5 60.4 91.7 11.5 1.9 15.5 158 166 A F > + 0 0 0 1,-0.2 3,-1.4 2,-0.1 -94,-0.1 0.120 45.4 116.3-106.1 22.5 8.7 -0.5 16.4 159 167 A G T 3 S+ 0 0 2 1,-0.3 -99,-0.2 -99,-0.1 -1,-0.2 0.739 81.5 38.8 -61.1 -31.4 6.8 2.3 18.2 160 168 A L T 3 S+ 0 0 24 -3,-0.3 -1,-0.3 -23,-0.3 -2,-0.1 0.245 90.1 127.8-102.7 7.8 3.8 2.1 15.8 161 169 A A < - 0 0 0 -3,-1.4 2,-0.3 -104,-0.2 -24,-0.2 -0.333 33.6-178.6 -70.5 149.9 3.9 -1.8 15.4 162 170 A R E -I 136 0D 69 -26,-1.5 -26,-2.9 -2,-0.0 2,-0.3 -0.945 35.6 -98.9-140.3 161.8 0.7 -3.9 16.0 163 171 A V E -I 135 0D 39 -2,-0.3 -28,-0.2 -28,-0.2 -29,-0.1 -0.671 56.5-100.6 -80.3 131.5 -0.3 -7.6 16.0 164 172 A A + 0 0 12 -30,-2.8 32,-0.2 -2,-0.3 -1,-0.1 -0.312 44.1 175.3 -58.1 135.8 -2.0 -8.3 12.5 165 173 A D > + 0 0 60 30,-2.6 3,-1.3 1,-0.1 30,-0.1 -0.543 7.6 166.8-142.2 70.7 -5.8 -8.3 12.7 166 174 A P G > S+ 0 0 79 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.772 73.7 62.4 -66.6 -21.3 -7.1 -8.7 9.1 167 175 A D G 3 S+ 0 0 151 1,-0.3 3,-0.1 2,-0.1 29,-0.0 0.645 109.9 40.7 -76.6 -16.8 -10.7 -9.5 10.3 168 176 A H G < S+ 0 0 115 -3,-1.3 -1,-0.3 27,-0.1 25,-0.0 -0.189 85.0 106.3-118.4 35.2 -11.1 -5.9 11.9 169 177 A D < + 0 0 17 -3,-1.0 24,-2.3 23,-0.1 25,-0.3 0.704 50.3 99.7 -89.6 -21.9 -9.3 -4.0 9.1 170 178 A H B +J 192 0E 112 22,-0.2 2,-0.3 -4,-0.2 22,-0.2 -0.403 42.0 150.6 -75.7 141.0 -12.3 -2.2 7.5 171 179 A T - 0 0 35 20,-1.4 76,-0.1 -2,-0.1 3,-0.1 -0.873 42.4 -75.1-152.1 178.5 -13.1 1.4 8.3 172 180 A G > - 0 0 26 -2,-0.3 3,-0.8 1,-0.1 2,-0.2 -0.186 58.7 -74.6 -78.9 173.2 -14.7 4.5 6.7 173 181 A F T 3 S+ 0 0 44 1,-0.2 17,-0.2 18,-0.1 -1,-0.1 -0.472 112.7 9.5 -73.7 138.1 -13.4 6.8 4.1 174 182 A L T 3 S+ 0 0 68 15,-2.5 2,-0.3 1,-0.2 -1,-0.2 0.877 84.3 177.1 58.1 42.9 -10.7 9.4 5.1 175 183 A T < - 0 0 37 -3,-0.8 -1,-0.2 13,-0.4 17,-0.1 -0.662 39.1 -96.0 -78.7 132.8 -10.2 7.8 8.6 176 184 A E - 0 0 170 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.168 47.0-171.2 -50.4 130.9 -7.5 9.4 10.8 177 185 A Y - 0 0 36 1,-0.1 4,-0.1 2,-0.1 17,-0.0 -0.974 23.2-160.8-134.3 148.2 -4.1 7.7 10.5 178 186 A V + 0 0 100 -2,-0.3 3,-0.2 -18,-0.1 -1,-0.1 0.825 58.8 98.4 -95.1 -41.1 -0.7 8.1 12.4 179 187 A A S S- 0 0 9 1,-0.2 -40,-0.1 -19,-0.1 5,-0.1 -0.093 91.7 -70.8 -56.8 151.8 2.0 6.5 10.1 180 188 A T > - 0 0 42 1,-0.1 3,-1.5 3,-0.1 4,-0.2 -0.189 44.4-135.2 -51.1 122.0 4.2 8.6 7.8 181 189 A R G > S+ 0 0 85 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.809 95.9 55.8 -50.6 -54.4 2.2 10.0 4.9 182 190 A W G 3 S+ 0 0 91 1,-0.3 36,-0.3 38,-0.1 -1,-0.3 0.670 111.5 45.8 -60.1 -18.4 4.5 9.4 1.9 183 191 A Y G < S+ 0 0 12 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 0.269 85.2 121.9-108.4 7.9 4.7 5.6 2.7 184 192 A R < - 0 0 27 -3,-1.9 5,-0.1 -4,-0.2 16,-0.1 -0.612 63.5-122.0 -78.5 132.1 0.9 5.1 3.3 185 193 A A >> - 0 0 0 -2,-0.4 3,-1.4 14,-0.2 4,-0.6 -0.233 24.2-114.8 -66.7 148.0 -0.9 2.5 1.1 186 194 A P H >> S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.868 113.2 63.5 -56.5 -36.0 -3.9 3.9 -0.9 187 195 A E H 3>>S+ 0 0 6 99,-0.2 4,-2.8 1,-0.2 5,-2.1 0.712 88.8 70.5 -64.5 -20.0 -6.4 1.7 1.1 188 196 A I H <45S+ 0 0 1 -3,-1.4 -13,-0.4 1,-0.2 -1,-0.2 0.907 104.0 41.1 -59.4 -43.5 -5.5 3.7 4.4 189 197 A M H <<5S+ 0 0 0 -3,-1.0 -15,-2.5 -4,-0.6 -1,-0.2 0.638 124.7 39.0 -78.8 -15.4 -7.3 6.8 2.9 190 198 A L H <5S- 0 0 1 -4,-0.6 60,-0.2 -3,-0.3 -2,-0.2 0.878 134.9 -32.7-102.2 -55.4 -10.2 4.6 1.6 191 199 A N T <5S+ 0 0 14 -4,-2.8 -20,-1.4 -18,-0.1 2,-0.4 0.247 96.6 103.9-160.4 21.0 -11.2 1.8 3.9 192 200 A S B < -J 170 0E 2 -5,-2.1 -22,-0.2 -22,-0.2 -17,-0.1 -0.950 45.1-162.6-125.0 141.7 -8.3 0.4 5.9 193 201 A K - 0 0 77 -24,-2.3 -23,-0.1 -2,-0.4 -1,-0.1 0.413 55.6-111.0 -86.1 -4.8 -7.0 0.6 9.5 194 202 A G S S+ 0 0 0 -25,-0.3 -25,-0.1 -28,-0.1 -24,-0.1 0.856 77.2 133.6 72.4 40.3 -3.6 -0.7 8.5 195 203 A Y + 0 0 44 -30,-0.1 -30,-2.6 -26,-0.1 2,-0.3 0.158 48.6 81.7-105.4 14.7 -4.1 -4.0 10.3 196 204 A T S > S- 0 0 25 -32,-0.2 3,-1.8 -31,-0.1 4,-0.4 -0.896 83.7-119.1-122.6 155.1 -2.9 -6.3 7.4 197 205 A K T >> S+ 0 0 80 -2,-0.3 4,-1.2 1,-0.3 3,-1.1 0.766 106.5 74.5 -60.5 -30.2 0.6 -7.3 6.2 198 206 A S H 3> S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.725 84.7 67.0 -57.8 -22.1 -0.1 -5.8 2.8 199 207 A I H <> S+ 0 0 5 -3,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.881 101.8 45.7 -68.1 -38.2 0.4 -2.3 4.5 200 208 A D H <> S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.4 -1,-0.2 0.860 108.2 57.0 -71.0 -39.2 4.1 -2.9 5.1 201 209 A I H X S+ 0 0 2 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.901 104.0 53.0 -61.6 -39.6 4.6 -4.2 1.6 202 210 A W H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.933 109.1 48.8 -59.9 -47.2 3.3 -1.0 0.1 203 211 A S H X S+ 0 0 9 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.875 109.6 52.1 -60.1 -39.7 5.8 1.0 2.2 204 212 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.909 108.2 52.3 -63.5 -40.8 8.7 -1.3 1.0 205 213 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 108.4 49.6 -58.7 -45.6 7.5 -0.6 -2.6 206 214 A C H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 11,-0.4 0.871 111.0 50.9 -60.0 -39.3 7.7 3.2 -1.9 207 215 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.913 108.7 50.4 -65.6 -46.4 11.3 2.6 -0.5 208 216 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.941 110.9 48.9 -56.2 -48.9 12.4 0.7 -3.6 209 217 A A H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 6,-0.3 0.901 111.5 50.3 -59.2 -39.4 11.1 3.5 -5.9 210 218 A E H X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.854 107.5 53.4 -68.1 -35.6 12.9 6.1 -3.7 211 219 A M H < S+ 0 0 1 -4,-2.3 -100,-0.4 1,-0.2 -1,-0.2 0.829 105.9 55.8 -66.1 -33.4 16.2 4.0 -3.9 212 220 A L H < S+ 0 0 29 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.792 127.9 12.5 -70.7 -29.9 15.9 4.0 -7.7 213 221 A S H < S- 0 0 47 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.461 92.7-119.3-129.3 -2.5 15.7 7.9 -8.1 214 222 A N S < S+ 0 0 49 -4,-2.5 -3,-0.1 1,-0.2 -4,-0.1 0.579 86.7 95.0 68.6 17.0 16.7 9.5 -4.7 215 223 A R S S- 0 0 190 -5,-0.3 -2,-0.2 -6,-0.3 -1,-0.2 -0.997 86.7-103.2-135.0 138.9 13.2 11.1 -4.5 216 224 A P - 0 0 35 0, 0.0 -9,-0.1 0, 0.0 -33,-0.0 -0.359 27.0-142.4 -60.1 133.9 10.0 9.9 -2.7 217 225 A I S S+ 0 0 17 -11,-0.4 -10,-0.0 1,-0.2 -11,-0.0 0.860 92.9 29.5 -67.6 -36.6 7.7 8.4 -5.4 218 226 A F + 0 0 0 -36,-0.3 2,-1.9 -12,-0.1 -1,-0.2 -0.673 69.2 175.5-125.1 75.0 4.4 9.8 -3.7 219 227 A P - 0 0 45 0, 0.0 -37,-0.1 0, 0.0 7,-0.0 -0.403 14.4-174.7 -85.9 67.8 5.3 13.1 -1.8 220 228 A G - 0 0 0 -2,-1.9 -38,-0.1 1,-0.1 3,-0.1 -0.216 20.9-151.7 -56.6 145.3 1.7 14.0 -0.7 221 229 A K S S+ 0 0 172 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.545 75.8 3.1 -99.7 -9.0 1.5 17.4 1.0 222 230 A H S > S- 0 0 109 1,-0.1 4,-1.4 -41,-0.0 -1,-0.2 -0.936 94.2 -73.9-165.2 169.3 -1.6 16.4 3.1 223 231 A Y H > S+ 0 0 50 -2,-0.3 4,-0.6 1,-0.2 3,-0.5 0.811 126.4 29.4 -39.4 -68.4 -3.9 13.5 3.8 224 232 A L H >> S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.811 110.7 69.0 -73.5 -24.0 -6.1 13.2 0.6 225 233 A D H 3> S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 93.1 61.8 -58.7 -32.4 -3.2 14.7 -1.5 226 234 A Q H 3X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.5 -1,-0.2 0.891 102.3 48.0 -57.7 -46.7 -1.4 11.3 -0.8 227 235 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-1.2 0.951 114.8 44.9 -62.0 -49.1 -0.7 7.4 -5.9 231 239 A L H 3X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.799 103.2 66.4 -66.1 -29.0 -3.6 7.6 -8.5 232 240 A G H 3< S+ 0 0 35 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.761 116.0 26.5 -62.3 -27.2 -1.5 10.0 -10.6 233 241 A I H << S+ 0 0 22 -3,-1.2 30,-3.1 -4,-0.8 -2,-0.2 0.833 125.3 44.5-103.1 -49.8 1.0 7.2 -11.3 234 242 A L H < S- 0 0 21 -4,-2.8 28,-0.3 28,-0.2 -3,-0.2 0.753 101.1-143.0 -66.7 -28.5 -1.0 3.9 -11.0 235 243 A G < - 0 0 4 -4,-1.8 26,-0.2 -5,-0.3 -1,-0.2 -0.217 45.6 -23.0 86.6 179.4 -3.9 5.4 -13.0 236 244 A S S S- 0 0 42 24,-3.1 26,-0.1 1,-0.1 23,-0.1 -0.379 76.3-109.0 -59.8 133.8 -7.6 4.8 -12.4 237 245 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 -0.326 38.5-107.3 -62.2 147.3 -8.4 1.5 -10.5 238 246 A S > - 0 0 56 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.194 27.9-104.0 -67.6 164.8 -10.0 -1.2 -12.6 239 247 A Q H > S+ 0 0 157 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 123.6 52.2 -55.5 -46.3 -13.7 -2.2 -12.2 240 248 A E H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.909 110.2 46.8 -58.4 -47.4 -12.5 -5.4 -10.3 241 249 A D H >4 S+ 0 0 19 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.866 113.4 49.6 -66.0 -36.2 -10.4 -3.3 -7.8 242 250 A L H >< S+ 0 0 21 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.896 104.2 58.3 -66.5 -41.2 -13.3 -0.8 -7.3 243 251 A N H 3< S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.705 98.1 61.6 -65.8 -17.2 -15.8 -3.7 -6.7 244 252 A C T << S+ 0 0 59 -4,-0.7 2,-0.9 -3,-0.5 -1,-0.3 0.604 90.1 76.9 -80.5 -14.9 -13.5 -4.8 -3.8 245 253 A I < + 0 0 10 -3,-2.0 -1,-0.1 -4,-0.3 6,-0.1 -0.854 56.3 171.0 -98.0 98.1 -14.2 -1.4 -2.1 246 254 A I + 0 0 142 -2,-0.9 2,-0.2 -55,-0.1 -1,-0.2 0.766 45.4 103.7 -80.9 -26.8 -17.8 -1.8 -0.7 247 255 A N > - 0 0 53 1,-0.1 4,-2.6 -76,-0.1 5,-0.2 -0.434 65.5-148.7 -60.6 120.8 -17.7 1.5 1.3 248 256 A L H > S+ 0 0 120 -2,-0.2 4,-3.1 2,-0.2 5,-0.3 0.896 92.4 51.2 -60.9 -46.9 -19.9 3.9 -0.8 249 257 A K H > S+ 0 0 161 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 115.0 43.4 -59.0 -45.0 -18.0 7.2 0.2 250 258 A A H > S+ 0 0 0 -60,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.940 117.4 45.6 -65.9 -46.3 -14.6 5.6 -0.8 251 259 A R H X S+ 0 0 65 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.929 113.4 48.4 -63.8 -47.4 -16.0 4.0 -4.0 252 260 A N H X S+ 0 0 85 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.812 107.0 57.1 -65.6 -30.4 -17.9 7.2 -5.1 253 261 A Y H X S+ 0 0 43 -4,-1.8 4,-0.6 -5,-0.3 3,-0.4 0.947 110.1 44.2 -62.1 -48.1 -14.8 9.3 -4.5 254 262 A L H >< S+ 0 0 11 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.906 113.2 51.8 -63.1 -38.2 -12.8 7.1 -6.9 255 263 A L H 3< S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.751 101.1 62.3 -68.1 -26.5 -15.7 7.1 -9.4 256 264 A S H 3< S+ 0 0 86 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.624 86.9 93.6 -74.4 -17.3 -15.9 11.0 -9.3 257 265 A L S << S- 0 0 39 -3,-1.0 3,-0.1 -4,-0.6 -3,-0.0 -0.570 84.1-110.9 -80.6 140.3 -12.3 11.3 -10.7 258 266 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.282 51.1 -81.7 -63.7 154.1 -11.6 11.7 -14.4 259 267 A H - 0 0 138 -23,-0.1 2,-0.4 -24,-0.1 -24,-0.0 -0.342 49.8-167.7 -59.9 136.9 -10.0 8.7 -16.0 260 268 A K - 0 0 60 -3,-0.1 -24,-3.1 -23,-0.1 2,-0.2 -1.000 13.0-135.5-130.8 131.9 -6.2 8.5 -15.6 261 269 A N - 0 0 124 -2,-0.4 -26,-0.3 -26,-0.2 2,-0.1 -0.583 31.3 -99.0 -85.5 149.0 -3.8 6.3 -17.4 262 270 A K - 0 0 92 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.424 30.4-131.2 -62.7 133.0 -1.0 4.4 -15.6 263 271 A V - 0 0 27 -30,-3.1 5,-0.1 -2,-0.1 -1,-0.1 -0.849 32.9-115.4 -85.1 119.4 2.5 6.1 -15.9 264 272 A P >> - 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.360 11.6-133.1 -63.6 136.6 4.9 3.2 -17.0 265 273 A W H 3> S+ 0 0 18 1,-0.3 4,-2.7 2,-0.2 7,-0.1 0.844 108.0 58.5 -55.6 -35.7 7.6 2.4 -14.5 266 274 A N H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.643 104.5 51.8 -73.5 -11.4 10.2 2.5 -17.3 267 275 A R H <4 S+ 0 0 165 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.841 115.9 39.5 -86.3 -40.1 9.2 6.2 -18.0 268 276 A L H < S+ 0 0 66 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.827 131.9 28.2 -73.8 -36.7 9.6 7.1 -14.3 269 277 A F >< + 0 0 14 -4,-2.7 3,-1.3 -5,-0.2 -1,-0.2 -0.632 68.2 163.1-127.3 71.2 12.8 5.0 -13.9 270 278 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.728 79.4 46.4 -67.6 -19.2 14.5 4.8 -17.3 271 279 A N T 3 S+ 0 0 162 -59,-0.1 2,-0.1 2,-0.1 3,-0.1 0.435 90.8 112.9 -98.8 -3.4 17.9 3.6 -15.9 272 280 A A S < S- 0 0 26 -3,-1.3 2,-0.1 -7,-0.1 -3,-0.1 -0.361 78.1 -99.0 -74.4 153.1 16.3 0.9 -13.6 273 281 A D > - 0 0 55 1,-0.1 4,-1.6 -2,-0.1 5,-0.2 -0.451 29.3-132.4 -63.7 131.7 16.8 -2.8 -13.9 274 282 A S H > S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.848 108.1 53.0 -60.3 -37.2 13.6 -4.3 -15.6 275 283 A K H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.893 106.6 53.3 -66.6 -37.3 13.4 -7.1 -12.9 276 284 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.879 110.4 47.5 -62.5 -37.6 13.5 -4.3 -10.2 277 285 A L H X S+ 0 0 17 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.822 108.8 53.8 -74.3 -31.0 10.5 -2.5 -12.0 278 286 A D H X S+ 0 0 72 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.932 113.1 43.2 -67.6 -43.2 8.6 -5.8 -12.3 279 287 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.914 111.7 54.5 -69.1 -39.1 9.0 -6.3 -8.5 280 288 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.911 106.0 52.7 -56.4 -45.9 8.1 -2.6 -7.8 281 289 A D H < S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 109.2 49.4 -57.6 -40.6 4.9 -3.0 -9.8 282 290 A K H >< S+ 0 0 78 -4,-1.4 10,-2.0 1,-0.2 3,-0.5 0.799 114.1 44.0 -73.4 -31.3 3.9 -6.0 -7.7 283 291 A M H 3< S+ 0 0 0 -4,-1.8 2,-0.3 1,-0.2 -78,-0.2 0.831 113.0 53.0 -80.5 -34.3 4.6 -4.2 -4.3 284 292 A L T 3< S+ 0 0 1 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.264 78.2 142.3 -95.8 46.2 2.9 -1.1 -5.5 285 293 A T < - 0 0 30 -3,-0.5 6,-0.1 -2,-0.3 -3,-0.1 -0.751 50.0-141.3 -87.5 130.3 -0.3 -2.9 -6.5 286 294 A F S S+ 0 0 19 -2,-0.4 -99,-0.2 -52,-0.1 -1,-0.1 0.922 87.6 69.8 -57.1 -52.1 -3.5 -0.8 -5.8 287 295 A N S >> S- 0 0 9 1,-0.2 3,-1.2 -101,-0.1 4,-1.2 -0.622 74.0-153.4 -73.4 113.9 -5.6 -3.9 -4.6 288 296 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.776 94.5 56.0 -62.7 -23.6 -4.1 -5.0 -1.2 289 297 A H T 34 S+ 0 0 150 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.741 111.6 43.0 -76.0 -24.8 -5.3 -8.6 -1.8 290 298 A K T <4 S+ 0 0 98 -3,-1.2 -1,-0.2 2,-0.1 3,-0.1 0.588 90.8 112.1 -92.0 -16.5 -3.4 -8.8 -5.2 291 299 A R S < S- 0 0 9 -4,-1.2 -8,-0.2 -6,-0.1 -9,-0.1 -0.337 80.2-100.0 -59.5 137.1 -0.3 -7.1 -3.7 292 300 A I - 0 0 16 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.270 35.0-130.3 -60.1 142.6 2.8 -9.4 -3.4 293 301 A E > - 0 0 122 -3,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.535 26.1-104.0 -88.1 162.5 3.5 -10.9 0.0 294 302 A V H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -166,-0.1 0.872 119.6 49.8 -59.2 -43.1 7.0 -10.8 1.6 295 303 A E H > S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 112.4 48.0 -68.8 -32.4 7.9 -14.5 0.9 296 304 A Q H 4 S+ 0 0 111 2,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.871 109.5 54.1 -68.7 -38.2 6.9 -14.1 -2.8 297 305 A A H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 6,-0.3 0.909 106.4 51.2 -61.6 -41.7 8.9 -10.8 -3.0 298 306 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.879 109.4 50.9 -62.7 -36.3 12.0 -12.7 -1.7 299 307 A A T 3< S+ 0 0 49 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.357 84.6 120.7 -82.0 2.8 11.5 -15.4 -4.5 300 308 A H S X S- 0 0 14 -3,-1.4 3,-2.1 -4,-0.2 4,-0.2 -0.443 76.4-117.8 -70.7 143.2 11.3 -12.7 -7.2 301 309 A P G > S+ 0 0 69 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.792 111.1 68.7 -51.2 -30.6 13.9 -13.0 -10.1 302 310 A Y G 3 S+ 0 0 9 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.827 105.6 40.0 -58.5 -31.8 15.3 -9.5 -9.1 303 311 A L G X> S+ 0 0 0 -3,-2.1 4,-2.1 -6,-0.3 3,-1.8 0.174 79.0 118.6-104.8 20.1 16.6 -11.0 -5.8 304 312 A E T <4 + 0 0 141 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.775 68.1 62.2 -54.8 -34.7 17.9 -14.4 -7.2 305 313 A Q T 34 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.750 119.4 25.1 -66.0 -23.6 21.5 -13.7 -6.2 306 314 A Y T <4 S+ 0 0 75 -3,-1.8 -2,-0.2 -8,-0.1 -1,-0.2 0.650 87.5 120.0-112.0 -24.6 20.5 -13.6 -2.5 307 315 A Y < + 0 0 94 -4,-2.1 -8,-0.1 -9,-0.2 5,-0.0 -0.278 20.3 144.1 -55.7 121.5 17.3 -15.7 -2.2 308 316 A D > - 0 0 71 -2,-0.1 3,-2.4 1,-0.0 -1,-0.0 -0.710 29.4-165.6-156.2 92.9 17.7 -18.7 0.1 309 317 A P G > S+ 0 0 64 0, 0.0 3,-1.2 0, 0.0 -1,-0.0 0.789 91.2 59.2 -61.6 -23.9 14.5 -19.5 2.2 310 318 A S G 3 S+ 0 0 107 1,-0.3 0, 0.0 3,-0.1 0, 0.0 0.629 107.6 46.7 -73.8 -17.5 16.5 -21.7 4.5 311 319 A D G < S+ 0 0 84 -3,-2.4 -1,-0.3 1,-0.1 0, 0.0 0.030 96.2 80.2-109.5 20.6 18.7 -18.6 5.4 312 320 A E S < S- 0 0 3 -3,-1.2 -1,-0.1 -184,-0.0 -186,-0.0 -0.808 78.4-157.5-124.9 78.6 15.6 -16.4 5.8 313 321 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -181,-0.1 -0.190 6.4-148.0 -68.9 155.8 14.5 -17.3 9.4 314 322 A I - 0 0 103 -182,-0.1 -185,-0.1 1,-0.1 -184,-0.1 -0.772 32.2 -83.9-115.4 163.2 11.1 -16.9 10.9 315 323 A A - 0 0 13 -186,-0.5 -1,-0.1 -2,-0.3 -247,-0.1 -0.363 32.1-123.5 -69.7 145.1 10.0 -16.2 14.5 316 324 A E S S- 0 0 207 1,-0.2 -1,-0.1 -2,-0.1 -183,-0.0 0.652 91.2 -3.4 -65.2 -16.7 9.8 -19.2 17.0 317 325 A A S S- 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -185,-0.0 -0.939 84.2 -90.3-167.1 152.7 6.1 -18.3 17.8 318 326 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -184,-0.2 -0.175 48.1-106.9 -64.9 163.3 3.5 -15.6 16.8 319 327 A F + 0 0 4 -186,-3.2 2,-0.3 0, 0.0 -255,-0.0 -0.726 34.2 178.7 -95.0 142.7 3.2 -12.4 19.0 320 328 A K 0 0 148 -2,-0.3 -186,-0.0 -157,-0.1 0, 0.0 -0.974 360.0 360.0-144.1 124.9 0.3 -11.7 21.4 321 329 A F 0 0 80 -2,-0.3 -261,-0.0 0, 0.0 0, 0.0 -0.164 360.0 360.0 -78.4 360.0 0.1 -8.6 23.7 322 ! 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 0.0 323 332 A E 0 0 103 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.0 -4.2 -4.4 24.7 324 333 A L > + 0 0 13 1,-0.1 3,-1.0 2,-0.0 -268,-0.1 0.466 360.0 92.4-110.9 -6.3 -2.6 -0.9 25.4 325 334 A D T 3 S+ 0 0 78 1,-0.3 2,-0.3 -269,-0.0 -1,-0.1 0.897 94.1 37.6 -56.2 -48.6 -5.2 1.4 23.7 326 335 A D T 3 S+ 0 0 95 2,-0.0 -1,-0.3 -3,-0.0 -2,-0.0 -0.372 91.9 111.9-104.8 52.7 -7.3 2.0 26.9 327 336 A L < - 0 0 22 -3,-1.0 -271,-0.1 -2,-0.3 2,-0.0 -0.989 64.1-124.8-125.6 126.4 -4.4 2.1 29.5 328 337 A P > - 0 0 72 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.358 25.9-110.1 -71.4 156.0 -3.3 5.3 31.4 329 338 A K H > S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 -278,-0.1 0.701 119.2 54.7 -52.2 -28.4 0.2 6.7 31.3 330 339 A E H > S+ 0 0 147 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.917 110.5 42.8 -75.2 -46.7 0.7 5.7 35.0 331 340 A K H > S+ 0 0 109 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.835 113.9 52.9 -66.6 -34.5 -0.3 2.0 34.4 332 341 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.866 104.1 56.6 -70.3 -33.2 1.9 2.0 31.2 333 342 A K H X S+ 0 0 39 -4,-1.3 4,-2.7 -5,-0.2 -2,-0.2 0.905 106.2 51.4 -59.7 -43.5 4.8 3.4 33.3 334 343 A E H X S+ 0 0 106 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.885 110.5 46.9 -60.3 -44.3 4.4 0.3 35.6 335 344 A L H X S+ 0 0 63 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.872 110.8 51.5 -70.4 -35.1 4.5 -2.1 32.5 336 345 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.962 112.2 48.6 -63.3 -46.4 7.6 -0.3 31.1 337 346 A F H >X S+ 0 0 29 -4,-2.7 3,-0.5 1,-0.2 4,-0.5 0.932 114.7 43.3 -56.0 -54.3 9.2 -0.8 34.7 338 347 A E H >< S+ 0 0 119 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.884 112.4 53.1 -62.7 -40.1 8.3 -4.5 34.9 339 348 A E H 3< S+ 0 0 51 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.740 112.4 45.3 -66.6 -25.9 9.3 -5.2 31.2 340 349 A T H X< S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.5 -1,-0.2 0.431 85.3 96.4 -98.7 0.6 12.8 -3.6 31.8 341 350 A A G X< + 0 0 44 -3,-0.9 3,-2.2 -4,-0.5 -1,-0.1 0.828 69.5 69.4 -57.6 -41.1 13.4 -5.4 35.2 342 351 A R G 3 S+ 0 0 168 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.657 97.1 54.8 -55.5 -19.1 15.5 -8.3 33.7 343 352 A F G < S+ 0 0 53 -3,-1.4 -1,-0.3 3,-0.0 -2,-0.2 0.467 82.2 106.4 -97.2 -2.3 18.3 -5.8 32.9 344 353 A Q S < S- 0 0 49 -3,-2.2 -264,-0.1 -4,-0.2 -262,-0.0 -0.509 75.0-127.5 -78.2 144.9 18.8 -4.4 36.5 345 354 A P 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.852 360.0 360.0 -59.6 -34.4 21.9 -5.5 38.4 346 355 A G 0 0 114 -5,-0.0 -2,-0.1 -263,-0.0 -3,-0.0 -0.338 360.0 360.0 -66.0 360.0 19.7 -6.7 41.4