==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 28-NOV-12 4I5H . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.B.HARI,D.J.MALY,E.A.MERRITT . 335 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 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 . 44 13.1 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 . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 29.9 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+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 0 2 0 0 1 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 . 1 2 1 1 0 1 1 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 0 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 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 0 145 0, 0.0 2,-0.3 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -50.4 -39.2 61.5 129.8 2 10 A E - 0 0 76 7,-0.4 7,-2.4 2,-0.0 2,-0.4 -0.597 360.0-173.6 -66.8 125.7 -37.8 63.9 132.4 3 11 A M E -A 8 0A 119 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.994 11.4-170.8-128.0 132.3 -38.3 67.4 131.0 4 12 A V E > S-A 7 0A 19 3,-3.0 3,-1.9 -2,-0.4 15,-0.1 -0.980 71.2 -24.2-130.9 122.1 -37.0 70.6 132.6 5 13 A R T 3 S- 0 0 174 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.894 129.2 -45.1 36.2 56.2 -38.1 74.1 131.3 6 14 A G T 3 S+ 0 0 56 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.474 117.2 110.0 78.7 4.4 -38.9 72.7 127.9 7 15 A Q E < -A 4 0A 68 -3,-1.9 -3,-3.0 2,-0.0 2,-0.3 -0.959 60.3-142.8-114.9 119.0 -35.7 70.6 127.5 8 16 A V E -A 3 0A 57 -2,-0.5 2,-0.6 -5,-0.3 -5,-0.2 -0.594 11.1-152.8 -68.0 134.3 -35.9 66.8 127.7 9 17 A F - 0 0 4 -7,-2.4 2,-1.7 -2,-0.3 3,-0.4 -0.895 2.9-162.1-111.3 97.8 -32.9 65.3 129.5 10 18 A D + 0 0 99 -2,-0.6 82,-0.1 1,-0.2 80,-0.1 -0.567 53.8 115.5 -85.3 85.0 -32.3 61.8 128.1 11 19 A V > + 0 0 7 -2,-1.7 4,-1.6 4,-0.2 -1,-0.2 0.447 47.1 137.0-140.9 -18.0 -30.2 60.7 131.0 12 20 A G T 4 + 0 0 49 -3,-0.4 4,-0.1 2,-0.2 2,-0.0 -0.315 40.7 36.6 -76.6 170.4 -32.0 57.9 133.0 13 21 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.971 124.6 40.3 -79.5 -18.7 -32.1 55.4 134.4 14 22 A R T 4 S+ 0 0 66 1,-0.1 21,-2.7 20,-0.1 2,-0.5 0.917 122.7 41.1 -52.9 -50.9 -28.6 56.0 136.0 15 23 A Y E < S+B 34 0B 2 -4,-1.6 2,-0.2 19,-0.2 19,-0.2 -0.903 76.0 150.8-108.4 129.0 -29.4 59.7 136.6 16 24 A T E +B 33 0B 46 17,-1.7 17,-3.4 -2,-0.5 -2,-0.0 -0.816 37.3 60.5-143.1 174.1 -32.8 60.8 137.8 17 25 A N E - 0 0 125 -2,-0.2 -1,-0.1 15,-0.2 14,-0.1 0.896 67.8-163.8 67.4 48.9 -34.5 63.6 139.9 18 26 A L E - 0 0 18 -3,-0.1 2,-0.3 14,-0.1 14,-0.2 -0.272 12.7-177.2 -69.0 142.1 -33.5 66.5 137.7 19 27 A S E -B 31 0B 66 12,-2.0 12,-2.9 -15,-0.1 -15,-0.1 -0.993 30.9-103.7-143.1 138.3 -33.8 70.1 138.9 20 28 A Y E +B 30 0B 62 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.265 39.2 162.0 -67.9 134.8 -33.0 73.3 136.9 21 29 A I E - 0 0 50 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.689 61.6 -57.0-112.2 -52.2 -29.8 75.3 137.5 22 30 A G E -B 29 0B 2 7,-2.1 7,-3.2 148,-0.1 -1,-0.4 -0.983 42.3-124.9-177.1 174.6 -29.6 77.4 134.4 23 31 A E E -B 28 0B 69 -2,-0.3 139,-0.5 5,-0.2 5,-0.2 -0.942 15.1-168.0-135.1 162.4 -29.4 77.6 130.6 24 32 A G E > -BC 27 161B 10 3,-2.5 3,-0.6 -2,-0.3 137,-0.3 -0.594 49.8 -66.4-131.8-167.0 -27.2 79.0 127.9 25 33 A A T 3 S+ 0 0 37 135,-2.5 136,-0.1 1,-0.2 138,-0.1 0.780 127.8 8.6 -56.4 -38.3 -27.2 79.6 124.2 26 34 A Y T 3 S+ 0 0 27 134,-0.5 21,-2.6 19,-0.1 2,-0.3 0.006 125.7 18.0-139.3 36.7 -27.2 75.9 123.2 27 35 A G E < -BD 24 46B 15 -3,-0.6 -3,-2.5 19,-0.2 2,-0.3 -0.985 60.1-119.5 177.5-174.6 -27.8 73.8 126.3 28 36 A M E -BD 23 45B 4 17,-2.4 17,-2.9 -2,-0.3 2,-0.5 -0.999 9.9-140.9-153.4 145.7 -29.0 73.5 129.9 29 37 A V E +BD 22 44B 15 -7,-3.2 -8,-2.8 -2,-0.3 -7,-2.1 -0.947 23.8 168.6-117.0 128.9 -27.7 72.6 133.3 30 38 A C E -BD 20 43B 0 13,-2.0 13,-2.5 -2,-0.5 -10,-0.2 -0.931 32.7-121.4-125.8 153.4 -29.6 70.6 135.9 31 39 A S E +BD 19 42B 10 -12,-2.9 -12,-2.0 -2,-0.3 2,-0.3 -0.560 41.4 166.0 -78.3 158.6 -28.8 68.9 139.2 32 40 A A E - D 0 41B 6 9,-2.0 9,-3.4 -14,-0.2 2,-0.4 -0.964 35.4-103.3-164.0 165.6 -29.6 65.2 139.3 33 41 A Y E -BD 16 40B 84 -17,-3.4 -17,-1.7 -2,-0.3 2,-0.7 -0.866 22.5-143.6-101.0 135.5 -28.9 62.0 141.4 34 42 A D E >> -BD 15 39B 0 5,-2.8 4,-1.8 -2,-0.4 5,-0.9 -0.875 13.9-174.8 -96.0 113.0 -26.4 59.3 140.3 35 43 A N T 45S+ 0 0 60 -21,-2.7 -1,-0.1 -2,-0.7 -20,-0.1 0.838 82.2 54.7 -77.5 -35.1 -27.7 55.9 141.3 36 44 A L T 45S+ 0 0 121 -22,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.993 127.4 20.2 -58.7 -58.4 -24.6 54.0 140.2 37 45 A N T 45S- 0 0 107 2,-0.1 -2,-0.2 -23,-0.1 -1,-0.2 0.534 99.2-130.4 -95.8 -4.9 -22.3 56.1 142.4 38 46 A K T <5 + 0 0 131 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.939 62.4 122.3 61.3 53.3 -25.0 57.5 144.9 39 47 A V E < -D 34 0B 48 -5,-0.9 -5,-2.8 -7,-0.0 2,-0.3 -0.983 67.6-107.2-145.4 146.0 -24.0 61.2 144.6 40 48 A R E -D 33 0B 155 -2,-0.3 57,-1.6 -7,-0.2 2,-0.3 -0.613 47.9-176.7 -68.6 131.5 -25.7 64.5 143.7 41 49 A V E -DE 32 96B 0 -9,-3.4 -9,-2.0 -2,-0.3 2,-0.4 -0.809 28.1-131.4-126.1 169.8 -24.4 65.6 140.3 42 50 A A E -DE 31 95B 21 53,-2.9 53,-2.3 -2,-0.3 2,-0.4 -0.918 24.1-161.9-110.3 148.8 -24.7 68.5 137.8 43 51 A I E -DE 30 94B 0 -13,-2.5 -13,-2.0 -2,-0.4 2,-0.7 -0.987 7.3-156.1-138.2 122.6 -25.4 67.6 134.2 44 52 A K E -DE 29 93B 23 49,-3.3 49,-2.7 -2,-0.4 2,-0.5 -0.894 8.0-163.0-101.9 110.8 -24.8 69.9 131.3 45 53 A K E -DE 28 92B 12 -17,-2.9 -17,-2.4 -2,-0.7 2,-0.4 -0.794 13.0-177.9 -83.4 126.5 -26.9 69.1 128.2 46 54 A I E -DE 27 91B 6 45,-2.9 45,-2.3 -2,-0.5 -19,-0.2 -0.977 20.8-170.3-128.4 147.6 -25.6 70.7 125.1 47 55 A S + 0 0 41 -21,-2.6 3,-0.2 -2,-0.4 43,-0.1 -0.765 31.7 143.5-131.6 77.2 -27.1 70.5 121.5 48 56 A P > + 0 0 0 0, 0.0 3,-1.6 0, 0.0 7,-0.4 0.525 34.2 100.1 -95.8 -8.0 -24.3 72.1 119.4 49 57 A F T 3 S+ 0 0 21 40,-0.4 274,-0.1 1,-0.3 273,-0.1 0.678 74.0 58.8 -72.1 -23.3 -24.4 70.1 116.1 50 58 A E T 3 S+ 0 0 137 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.680 105.6 57.7 -73.2 -17.3 -26.4 72.4 113.8 51 59 A H <> - 0 0 103 -3,-1.6 4,-1.9 1,-0.1 3,-0.1 -0.966 69.8-146.4-128.0 131.0 -23.8 75.2 114.3 52 60 A Q H > S+ 0 0 63 -2,-0.4 4,-2.2 1,-0.2 5,-0.1 0.868 99.0 48.7 -54.5 -47.0 -20.1 75.1 113.6 53 61 A T H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.853 110.0 50.7 -71.8 -34.8 -19.0 77.4 116.5 54 62 A Y H > S+ 0 0 57 -6,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 110.1 52.3 -67.9 -35.2 -21.0 75.5 119.1 55 63 A C H X S+ 0 0 0 -4,-1.9 4,-2.4 -7,-0.4 -2,-0.2 0.890 109.8 48.8 -64.0 -40.8 -19.3 72.3 117.8 56 64 A Q H X S+ 0 0 78 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.936 112.4 47.0 -64.7 -47.3 -15.9 74.0 118.2 57 65 A R H X S+ 0 0 124 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.847 112.6 51.1 -62.5 -35.4 -16.7 75.1 121.7 58 66 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 109.8 47.7 -71.6 -43.0 -18.0 71.6 122.5 59 67 A L H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.941 114.0 48.7 -60.7 -46.6 -14.9 69.8 121.2 60 68 A R H X S+ 0 0 91 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.911 110.0 51.0 -60.1 -47.5 -12.7 72.2 123.2 61 69 A E H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.910 113.3 46.0 -55.2 -45.2 -14.8 71.7 126.4 62 70 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.937 113.1 46.9 -67.8 -49.9 -14.5 67.9 126.0 63 71 A K H X S+ 0 0 76 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.880 114.2 48.2 -58.4 -43.5 -10.8 67.8 125.3 64 72 A I H X S+ 0 0 21 -4,-2.4 4,-2.5 -5,-0.2 3,-0.4 0.957 112.7 47.9 -61.9 -50.2 -10.0 70.2 128.2 65 73 A L H < S+ 0 0 22 -4,-2.4 11,-0.4 -5,-0.3 -2,-0.2 0.807 109.2 53.8 -65.8 -30.7 -12.1 68.3 130.6 66 74 A L H < S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.7 37.7 -67.0 -37.6 -10.6 64.9 129.6 67 75 A R H < S+ 0 0 115 -4,-1.5 2,-0.3 -3,-0.4 -2,-0.2 0.809 102.5 83.5 -83.8 -34.5 -7.1 66.1 130.3 68 76 A F < + 0 0 12 -4,-2.5 8,-0.3 -5,-0.2 2,-0.3 -0.523 40.7 160.6 -83.5 132.5 -7.7 68.3 133.3 69 77 A R + 0 0 147 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.832 18.3 140.0-146.6 116.3 -7.8 67.0 136.8 70 78 A H > - 0 0 17 3,-0.4 3,-1.7 -2,-0.3 56,-0.0 -0.993 56.1-123.6-154.5 144.5 -7.3 69.4 139.6 71 79 A E T 3 S+ 0 0 138 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.753 113.4 47.1 -63.1 -25.6 -8.8 70.1 143.0 72 80 A N T 3 S+ 0 0 6 82,-0.1 83,-2.9 2,-0.1 2,-0.4 0.108 102.2 71.5-106.6 22.7 -9.7 73.7 142.0 73 81 A I B < S-g 155 0C 12 -3,-1.7 -3,-0.4 81,-0.3 83,-0.2 -0.998 93.7-102.6-130.6 136.7 -11.3 72.9 138.6 74 82 A I - 0 0 27 81,-2.8 2,-0.4 -2,-0.4 -2,-0.1 -0.282 44.4-138.6 -54.8 138.9 -14.7 71.2 138.2 75 83 A G - 0 0 11 21,-0.1 21,-0.7 -4,-0.1 2,-0.2 -0.857 6.0-117.7-112.6 143.9 -14.1 67.6 137.2 76 84 A I E +F 95 0B 17 -11,-0.4 19,-0.3 -2,-0.4 3,-0.1 -0.537 26.3 175.4 -76.0 137.6 -15.8 65.4 134.7 77 85 A N E - 0 0 44 17,-3.4 2,-0.3 1,-0.4 18,-0.2 0.690 63.9 -20.3-103.7 -37.0 -17.7 62.2 135.9 78 86 A D E -F 94 0B 16 16,-1.2 16,-2.6 2,-0.0 -1,-0.4 -0.983 46.7-137.0-169.0 156.7 -19.3 60.9 132.7 79 87 A I E -F 93 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.981 19.0-162.3-131.9 123.2 -20.4 61.8 129.2 80 88 A I E +F 92 0B 38 12,-2.6 12,-2.6 -2,-0.4 2,-0.3 -0.924 26.9 138.6-105.9 124.5 -23.7 60.5 127.9 81 89 A R - 0 0 18 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.942 55.1 -71.2-153.5 171.2 -24.5 60.4 124.1 82 90 A A - 0 0 24 8,-0.4 6,-0.2 -2,-0.3 252,-0.0 -0.213 36.1-121.4 -71.5 152.8 -26.2 58.0 121.7 83 91 A P S S+ 0 0 96 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.772 98.4 54.2 -61.4 -24.6 -24.5 54.7 120.7 84 92 A T S > S- 0 0 51 1,-0.1 4,-1.4 0, 0.0 -2,-0.1 -0.898 78.4-135.3-114.0 141.8 -24.7 55.8 117.0 85 93 A I T 4 S+ 0 0 45 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.902 107.8 50.4 -60.8 -41.7 -23.3 59.0 115.5 86 94 A E T 4 S+ 0 0 148 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.882 112.5 48.6 -64.6 -36.9 -26.5 59.6 113.4 87 95 A Q T 4 S+ 0 0 120 -3,-0.1 2,-0.8 2,-0.0 -1,-0.2 0.746 89.9 98.2 -70.3 -25.9 -28.6 59.1 116.5 88 96 A M < + 0 0 1 -4,-1.4 3,-0.1 -3,-0.3 239,-0.0 -0.546 30.5 136.9 -75.7 107.1 -26.3 61.5 118.6 89 97 A K + 0 0 132 -2,-0.8 -40,-0.4 1,-0.3 2,-0.3 0.531 66.2 40.9-119.6 -17.9 -27.9 65.0 118.7 90 98 A D - 0 0 27 -43,-0.1 -8,-0.4 -42,-0.1 2,-0.4 -0.958 62.5-159.3-129.2 147.3 -27.3 65.9 122.4 91 99 A V E -E 46 0B 0 -45,-2.3 -45,-2.9 -2,-0.3 2,-0.5 -0.982 6.2-157.0-122.2 139.2 -24.3 65.4 124.7 92 100 A Y E -EF 45 80B 7 -12,-2.6 -12,-2.6 -2,-0.4 2,-0.5 -0.977 2.8-162.2-119.1 121.3 -24.6 65.4 128.5 93 101 A I E -EF 44 79B 10 -49,-2.7 -49,-3.3 -2,-0.5 2,-0.4 -0.904 10.8-157.1-104.9 125.9 -21.5 66.2 130.5 94 102 A V E +EF 43 78B 0 -16,-2.6 -17,-3.4 -2,-0.5 -16,-1.2 -0.847 19.4 161.1-108.0 136.1 -21.7 65.1 134.2 95 103 A A E -EF 42 76B 17 -53,-2.3 -53,-2.9 -2,-0.4 -19,-0.2 -0.931 48.0 -79.5-143.3 163.5 -19.7 66.5 137.0 96 104 A D E -E 41 0B 77 -21,-0.7 2,-0.4 -2,-0.3 -55,-0.2 -0.418 51.0-113.0 -66.4 145.2 -20.1 66.6 140.9 97 105 A L - 0 0 39 -57,-1.6 2,-0.4 -65,-0.1 -57,-0.1 -0.636 24.7-152.2 -79.7 128.8 -22.6 69.1 142.2 98 106 A M - 0 0 23 -2,-0.4 50,-0.2 1,-0.1 -57,-0.0 -0.826 17.3-128.4 -98.1 146.9 -21.2 72.0 144.2 99 107 A E S S- 0 0 127 -2,-0.4 2,-0.2 48,-0.1 49,-0.2 0.855 74.8 -22.2 -60.4 -42.0 -23.5 73.6 146.8 100 108 A T E -H 147 0C 46 47,-2.4 47,-2.1 -3,-0.0 2,-0.3 -0.707 59.5-123.7-153.2-167.0 -23.1 77.2 145.8 101 109 A D E > -H 146 0C 2 45,-0.3 4,-2.4 -2,-0.2 45,-0.2 -0.965 32.0-102.4-151.8 165.9 -20.9 79.8 144.1 102 110 A L H > S+ 0 0 0 43,-2.7 4,-2.6 40,-0.7 41,-0.2 0.872 116.2 60.6 -59.6 -40.2 -19.1 83.1 144.7 103 111 A Y H > S+ 0 0 59 39,-1.2 4,-0.7 42,-0.2 -1,-0.2 0.935 111.3 40.1 -52.8 -47.6 -21.8 85.1 142.8 104 112 A K H >> S+ 0 0 87 1,-0.2 3,-0.9 38,-0.2 4,-0.8 0.926 113.6 53.1 -69.7 -44.2 -24.5 83.9 145.3 105 113 A L H >X S+ 0 0 31 -4,-2.4 4,-1.2 1,-0.2 3,-0.8 0.865 103.1 58.6 -58.4 -35.8 -22.2 84.2 148.4 106 114 A L H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.763 100.5 57.6 -71.1 -21.3 -21.4 87.9 147.5 107 115 A K H << S+ 0 0 156 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.755 116.0 32.7 -74.6 -26.8 -25.1 88.8 147.6 108 116 A T H << S+ 0 0 117 -3,-0.8 2,-0.4 -4,-0.8 -2,-0.2 0.469 118.3 46.4-109.4 -5.8 -25.5 87.6 151.3 109 117 A Q < - 0 0 82 -4,-1.2 2,-0.6 99,-0.0 -1,-0.2 -0.990 57.0-144.0-149.8 131.7 -22.1 88.4 152.8 110 118 A H - 0 0 142 -2,-0.4 2,-0.3 -3,-0.1 98,-0.1 -0.858 48.0-129.5 -80.2 126.4 -19.4 91.0 153.1 111 119 A L - 0 0 3 -2,-0.6 2,-0.1 94,-0.5 -5,-0.0 -0.609 11.6-121.4 -88.7 143.1 -16.4 88.5 153.1 112 120 A S > - 0 0 53 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.423 26.6-111.1 -72.3 155.0 -13.7 88.7 155.7 113 121 A N H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 119.6 57.5 -51.5 -41.7 -10.1 89.2 154.7 114 122 A D H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 109.4 43.7 -57.6 -42.7 -9.3 85.6 155.7 115 123 A H H > S+ 0 0 67 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.905 112.5 52.5 -69.9 -39.7 -12.0 84.3 153.3 116 124 A I H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.941 109.7 50.5 -57.7 -46.4 -10.9 86.6 150.5 117 125 A C H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.916 112.4 44.0 -62.5 -46.2 -7.4 85.4 150.9 118 126 A Y H X S+ 0 0 66 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.832 114.4 49.4 -70.6 -34.7 -8.2 81.7 150.7 119 127 A F H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.908 111.6 49.3 -69.2 -44.0 -10.6 82.0 147.8 120 128 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.908 108.2 54.5 -62.3 -45.4 -8.1 84.1 145.9 121 129 A Y H X S+ 0 0 16 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.923 110.5 45.2 -50.3 -50.5 -5.4 81.4 146.6 122 130 A Q H X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.878 110.5 53.8 -64.6 -41.6 -7.6 78.6 145.2 123 131 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.942 113.8 42.8 -54.1 -50.7 -8.5 80.7 142.1 124 132 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.894 111.9 53.5 -67.2 -37.9 -4.9 81.3 141.4 125 133 A R H X S+ 0 0 15 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.941 113.3 43.5 -61.9 -48.1 -3.9 77.6 142.1 126 134 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.911 114.3 50.5 -61.0 -47.1 -6.5 76.4 139.6 127 135 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.809 101.5 61.7 -63.6 -34.9 -5.5 79.0 137.1 128 136 A K H X S+ 0 0 17 -4,-2.7 4,-2.3 2,-0.2 181,-0.2 0.925 107.5 45.4 -54.2 -42.7 -1.9 78.1 137.4 129 137 A Y H X S+ 0 0 7 -4,-1.3 4,-1.2 -3,-0.3 180,-0.5 0.951 112.9 49.1 -68.1 -46.3 -2.8 74.6 136.1 130 138 A I H ><>S+ 0 0 7 -4,-1.8 5,-1.8 1,-0.2 3,-0.8 0.933 115.5 44.3 -57.2 -52.5 -5.0 75.9 133.3 131 139 A H H ><5S+ 0 0 5 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.828 107.0 58.3 -65.3 -35.8 -2.3 78.3 132.1 132 140 A S H 3<5S+ 0 0 31 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.744 103.2 54.8 -64.5 -26.0 0.5 75.8 132.4 133 141 A A T <<5S- 0 0 0 -4,-1.2 180,-2.4 -3,-0.8 -1,-0.3 0.356 120.1-116.0 -80.3 0.4 -1.6 73.7 129.9 134 142 A N T < 5S+ 0 0 68 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.857 72.2 136.4 62.1 34.5 -1.4 76.7 127.7 135 143 A V < - 0 0 12 -5,-1.8 2,-0.4 -6,-0.1 -1,-0.3 -0.900 46.2-144.3-109.4 142.4 -5.2 77.1 127.9 136 144 A L - 0 0 23 -2,-0.4 55,-0.1 1,-0.1 -9,-0.0 -0.898 3.6-156.8-103.7 135.9 -7.1 80.4 128.5 137 145 A H - 0 0 12 -2,-0.4 -1,-0.1 54,-0.1 54,-0.0 0.940 19.7-174.2 -71.0 -49.4 -10.2 80.4 130.6 138 146 A R + 0 0 106 53,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.098 66.4 54.0 78.6 -12.6 -11.5 83.7 128.9 139 147 A D + 0 0 39 2,-0.1 2,-0.2 5,-0.1 20,-0.1 -0.147 62.4 160.7-145.4 49.1 -14.6 84.2 131.1 140 148 A L + 0 0 1 37,-0.1 17,-0.1 17,-0.1 37,-0.1 -0.531 18.6 134.1 -74.8 139.4 -13.6 84.2 134.8 141 149 A K > - 0 0 9 -2,-0.2 3,-2.0 35,-0.0 -39,-0.1 -0.916 69.2 -85.3-173.9 164.1 -16.3 85.9 137.0 142 150 A P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 -39,-1.2 0.826 123.1 59.2 -58.2 -32.4 -18.0 85.0 140.3 143 151 A S G 3 S+ 0 0 4 1,-0.3 -3,-0.1 -41,-0.2 14,-0.0 0.710 102.0 57.5 -68.2 -16.9 -20.7 82.8 138.7 144 152 A N G < S+ 0 0 1 -3,-2.0 12,-2.6 1,-0.1 2,-0.5 0.155 90.0 84.1 -99.3 19.8 -17.8 80.7 137.4 145 153 A L E < - I 0 155C 0 -3,-1.7 -43,-2.7 10,-0.2 -42,-0.2 -0.877 66.9-157.7-125.5 101.4 -16.4 80.0 140.9 146 154 A L E -HI 101 154C 23 8,-2.6 8,-2.1 -2,-0.5 2,-0.3 -0.444 12.1-175.8 -78.4 143.0 -18.1 77.1 142.7 147 155 A L E -HI 100 153C 2 -47,-2.1 -47,-2.4 6,-0.2 2,-0.2 -0.933 11.0-161.2-132.1 159.9 -18.0 76.8 146.5 148 156 A N > - 0 0 31 4,-1.0 3,-1.3 -2,-0.3 -50,-0.1 -0.678 46.6 -83.1-125.1-171.0 -19.1 74.4 149.2 149 157 A T T 3 S+ 0 0 120 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.750 124.0 55.1 -69.2 -23.8 -19.6 74.7 152.9 150 158 A T T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.147 118.8-103.3 -99.8 21.8 -15.9 74.3 153.8 151 159 A C < + 0 0 28 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.593 67.4 153.1 69.8 15.4 -14.7 77.1 151.5 152 160 A D - 0 0 63 -30,-0.0 -4,-1.0 2,-0.0 2,-0.4 -0.613 29.0-156.1 -72.7 136.6 -13.4 74.7 148.8 153 161 A L E - I 0 147C 0 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.933 12.7-172.4-121.1 137.1 -13.4 76.6 145.5 154 162 A K E - I 0 146C 60 -8,-2.1 -8,-2.6 -2,-0.4 -81,-0.3 -0.992 23.0-125.9-133.2 128.7 -13.6 75.1 141.9 155 163 A I E -gI 73 145C 3 -83,-2.9 -81,-2.8 -2,-0.4 2,-0.3 -0.487 33.5-177.5 -69.1 138.2 -13.2 77.0 138.6 156 164 A L - 0 0 27 -12,-2.6 2,-0.3 -2,-0.2 3,-0.1 -0.858 28.3-153.4-129.9 156.4 -16.1 76.4 136.2 157 165 A D - 0 0 51 -2,-0.3 3,-0.1 1,-0.1 -13,-0.1 -0.816 11.2-173.3-129.4 98.8 -17.0 77.5 132.7 158 166 A F - 0 0 21 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.837 41.9-128.3 -58.8 -39.9 -20.7 77.4 132.5 159 167 A G - 0 0 25 -20,-0.1 -1,-0.2 -3,-0.1 2,-0.1 -0.524 47.1 -11.6 121.7-175.9 -20.6 78.1 128.8 160 168 A L S S- 0 0 56 -2,-0.2 -135,-2.5 -3,-0.1 -134,-0.5 -0.297 72.9-127.5 -60.9 126.2 -22.0 80.4 126.2 161 169 A A B -C 24 0B 18 -137,-0.3 -137,-0.2 -136,-0.1 11,-0.1 -0.256 22.4 -93.1 -80.5 162.1 -24.8 82.4 127.6 162 170 A R - 0 0 120 -139,-0.5 11,-0.4 9,-0.2 -137,-0.2 -0.250 57.3 -79.0 -64.9 153.7 -28.4 82.9 126.3 163 171 A V - 0 0 123 -139,-0.1 2,-0.5 -138,-0.1 -1,-0.2 -0.355 46.6-137.3 -52.4 127.9 -29.2 85.9 124.1 164 172 A A - 0 0 66 -3,-0.1 -1,-0.1 8,-0.0 -3,-0.0 -0.816 15.2-133.1 -88.7 130.8 -29.6 88.9 126.3 165 173 A D 0 0 144 -2,-0.5 -2,-0.0 1,-0.1 -1,-0.0 -0.789 360.0 360.0 -90.9 113.1 -32.6 91.0 125.3 166 174 A P 0 0 162 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.755 360.0 360.0 -89.9 360.0 -31.7 94.7 125.0 167 ! 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 0.0 168 182 A L 0 0 199 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.4 -29.7 91.0 136.7 169 183 A T > - 0 0 88 1,-0.0 3,-0.8 0, 0.0 0, 0.0 -0.667 360.0-105.2-107.1 168.9 -29.8 87.1 136.7 170 184 A E T 3 S+ 0 0 25 1,-0.2 -27,-0.2 -2,-0.2 -148,-0.1 0.827 103.3 41.5 -70.6 -45.3 -26.8 84.8 137.3 171 185 A Y T 3 S+ 0 0 39 -148,-0.1 -1,-0.2 2,-0.0 -9,-0.2 0.233 79.5 124.8 -98.2 18.3 -25.7 83.2 134.0 172 186 A V S < S- 0 0 42 -3,-0.8 2,-0.3 -11,-0.1 -9,-0.1 -0.263 72.9 -98.6 -68.9 158.0 -25.9 86.2 131.6 173 187 A A - 0 0 57 -11,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.650 50.6-178.1 -71.9 135.1 -23.0 87.2 129.5 174 188 A T - 0 0 24 -2,-0.3 3,-0.2 -3,-0.1 0, 0.0 -0.966 26.7-157.7-136.3 148.4 -21.5 90.2 131.4 175 189 A R > + 0 0 91 -2,-0.3 3,-2.0 39,-0.2 8,-0.1 0.374 65.1 104.7-106.1 1.3 -18.5 92.3 130.3 176 190 A W T 3 S+ 0 0 95 1,-0.3 36,-0.3 38,-0.0 -1,-0.1 0.684 83.7 44.3 -62.3 -21.5 -17.6 93.6 133.7 177 191 A Y T 3 S+ 0 0 16 -3,-0.2 -1,-0.3 34,-0.1 2,-0.3 0.267 85.9 119.5-105.5 6.0 -14.6 91.3 134.1 178 192 A R < - 0 0 73 -3,-2.0 16,-0.1 1,-0.1 -3,-0.1 -0.568 66.6-115.0 -81.2 138.2 -13.1 91.7 130.6 179 193 A A >> - 0 0 0 -2,-0.3 3,-1.9 1,-0.1 4,-1.6 -0.385 23.8-117.4 -66.8 149.1 -9.7 93.1 130.1 180 194 A P H 3> S+ 0 0 0 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.836 112.3 64.0 -60.5 -36.3 -9.4 96.5 128.4 181 195 A E H 3> S+ 0 0 19 2,-0.2 4,-1.4 99,-0.2 7,-0.1 0.665 102.8 50.9 -60.3 -19.1 -7.4 95.0 125.5 182 196 A I H <4 S+ 0 0 29 -3,-1.9 -1,-0.2 2,-0.2 7,-0.0 0.889 111.8 45.8 -80.6 -47.4 -10.5 92.9 124.7 183 197 A M H < S+ 0 0 23 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.958 124.0 35.9 -52.5 -48.4 -12.6 96.0 124.7 184 198 A L H < S+ 0 0 15 -4,-3.3 2,-0.4 -5,-0.1 60,-0.3 0.647 118.5 40.6 -86.2 -22.8 -9.9 97.9 122.6 185 199 A N S < S- 0 0 13 -4,-1.4 3,-0.2 -5,-0.2 -1,-0.1 -0.990 72.7-120.7-133.1 138.6 -8.6 95.1 120.2 186 200 A S S S- 0 0 102 -2,-0.4 55,-0.1 1,-0.2 -2,-0.0 -0.257 80.5 -43.2 -56.3 163.8 -9.9 92.3 118.1 187 201 A K S S+ 0 0 142 1,-0.2 -1,-0.2 2,-0.0 -5,-0.1 -0.107 81.3 125.3 -57.2 116.4 -8.1 89.1 119.4 188 202 A G + 0 0 55 -3,-0.2 -1,-0.2 -7,-0.1 -2,-0.1 -0.256 51.8 163.2-133.2 43.5 -4.4 89.3 120.1 189 203 A Y - 0 0 55 1,-0.1 2,-0.2 -4,-0.1 -2,-0.0 -0.231 17.7-175.7 -80.4 156.5 -5.4 88.0 123.6 190 204 A T >> - 0 0 72 -2,-0.0 3,-2.0 1,-0.0 4,-0.5 -0.709 47.6 -84.3-139.2 168.1 -3.2 86.4 126.3 191 205 A K H >> S+ 0 0 83 1,-0.3 4,-1.2 -2,-0.2 3,-1.0 0.767 116.7 76.4 -42.3 -33.7 -3.1 84.7 129.7 192 206 A S H 3> S+ 0 0 14 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.785 82.5 63.0 -57.1 -33.0 -3.0 88.3 131.0 193 207 A I H <> S+ 0 0 3 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.889 100.2 53.0 -61.7 -35.6 -6.7 88.7 130.3 194 208 A D H < S+ 0 0 23 -4,-1.9 3,-1.0 1,-0.2 5,-0.2 0.864 107.8 52.7 -68.4 -40.0 -15.5 92.8 144.1 205 219 A M H 3< S+ 0 0 1 -4,-2.1 -94,-0.5 1,-0.2 -1,-0.2 0.804 107.2 54.0 -61.3 -32.8 -14.7 90.6 147.1 206 220 A L T 3< S+ 0 0 18 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.552 121.5 24.1 -77.2 -9.0 -13.2 93.6 148.9 207 221 A S S < S- 0 0 20 -3,-1.0 -96,-0.3 -4,-0.4 -3,-0.1 -0.315 89.3-100.2-133.2-154.4 -16.4 95.6 148.3 208 222 A N S S+ 0 0 124 -2,-0.1 -4,-0.1 -98,-0.1 -3,-0.1 0.166 94.8 39.4-122.0 13.8 -20.1 94.9 147.8 209 223 A R S S- 0 0 147 -5,-0.2 -2,-0.1 -6,-0.2 -3,-0.1 -0.992 92.3 -78.2-159.9 158.8 -20.2 95.4 144.1 210 224 A P - 0 0 26 0, 0.0 -9,-0.1 0, 0.0 -2,-0.1 -0.373 37.6-140.2 -65.1 142.5 -18.4 94.9 140.8 211 225 A I S S+ 0 0 20 -11,-0.4 -34,-0.1 1,-0.2 -10,-0.0 0.803 90.1 34.2 -78.7 -30.8 -15.6 97.4 140.3 212 226 A F S S+ 0 0 1 -36,-0.3 -1,-0.2 -12,-0.1 12,-0.1 -0.493 76.5 148.5-127.3 66.3 -16.1 98.1 136.6 213 227 A P + 0 0 40 0, 0.0 10,-0.2 0, 0.0 2,-0.1 -0.013 9.2 134.8 -82.6-163.8 -19.8 98.0 135.6 214 228 A G - 0 0 24 1,-0.1 -39,-0.2 9,-0.1 6,-0.1 -0.380 58.8-106.4 129.7 149.3 -21.4 100.1 132.9 215 229 A K S S+ 0 0 166 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.892 99.2 22.6 -78.4 -42.5 -23.9 99.6 130.1 216 230 A H S >> S- 0 0 110 -3,-0.1 4,-1.9 1,-0.1 3,-0.7 -0.789 86.2-103.0-120.0 166.2 -21.4 99.9 127.2 217 231 A Y H 3> S+ 0 0 57 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.823 121.0 57.0 -48.7 -37.3 -17.6 99.4 126.8 218 232 A L H 3> S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 105.1 50.0 -71.9 -31.9 -17.1 103.1 126.8 219 233 A D H <> S+ 0 0 63 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.866 113.7 46.4 -69.3 -38.7 -18.8 103.4 130.2 220 234 A Q H X S+ 0 0 1 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.940 110.5 51.0 -68.5 -48.4 -16.6 100.7 131.6 221 235 A L H X S+ 0 0 6 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.898 108.6 53.6 -55.7 -42.5 -13.4 102.2 130.1 222 236 A N H X S+ 0 0 57 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.909 110.5 46.3 -60.3 -42.7 -14.4 105.5 131.7 223 237 A H H X S+ 0 0 89 -4,-1.9 4,-1.0 -10,-0.2 -2,-0.2 0.956 113.6 49.7 -63.2 -46.3 -14.8 103.7 135.1 224 238 A I H >X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 3,-1.3 0.951 113.2 44.6 -54.7 -52.8 -11.4 102.0 134.6 225 239 A L H 3X S+ 0 0 2 -4,-3.3 4,-1.9 1,-0.3 -1,-0.2 0.829 106.4 62.9 -64.1 -30.5 -9.7 105.2 133.6 226 240 A G H 3< S+ 0 0 25 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.715 116.4 29.3 -64.4 -23.5 -11.4 106.9 136.6 227 241 A I H << S+ 0 0 25 -3,-1.3 30,-2.8 -4,-1.0 -2,-0.2 0.833 128.4 37.4-102.6 -50.9 -9.6 104.6 139.0 228 242 A L H < S- 0 0 30 -4,-2.8 28,-0.2 28,-0.2 -3,-0.2 0.726 105.9-128.2 -72.6 -23.1 -6.3 103.8 137.2 229 243 A G < - 0 0 7 -4,-1.9 26,-0.2 -5,-0.4 -1,-0.2 -0.192 46.3 -40.3 89.5 166.9 -5.9 107.2 135.7 230 244 A S S S- 0 0 32 24,-2.7 26,-0.1 1,-0.1 23,-0.1 -0.353 76.8 -94.7 -60.9 142.5 -5.3 108.1 132.1 231 245 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.298 37.5-119.1 -61.1 143.0 -2.9 105.7 130.4 232 246 A S > - 0 0 53 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.276 33.4-101.7 -65.8 167.0 0.8 106.7 130.2 233 247 A Q H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.948 127.3 56.4 -54.9 -46.1 2.3 107.2 126.7 234 248 A E H > S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.897 107.0 47.2 -52.7 -47.1 3.8 103.8 127.3 235 249 A D H >4 S+ 0 0 25 2,-0.2 3,-0.7 1,-0.2 4,-0.5 0.867 108.1 55.3 -64.2 -39.3 0.4 102.2 128.0 236 250 A L H >< S+ 0 0 10 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.938 105.2 54.9 -57.8 -42.7 -1.1 103.9 124.9 237 251 A N H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.695 98.6 60.9 -62.4 -22.7 1.7 102.3 122.8 238 252 A C T << S+ 0 0 19 -4,-0.7 2,-0.7 -3,-0.7 -1,-0.3 0.614 81.5 95.1 -81.3 -10.6 0.8 98.8 124.1 239 253 A I < - 0 0 4 -3,-1.7 6,-0.1 -4,-0.5 42,-0.0 -0.738 60.6-168.0 -84.6 112.2 -2.7 99.3 122.5 240 254 A I + 0 0 105 -2,-0.7 2,-0.6 -59,-0.1 -1,-0.2 0.825 64.2 77.7 -79.4 -35.7 -2.2 97.6 119.1 241 255 A N > - 0 0 50 1,-0.2 4,-1.9 -55,-0.1 5,-0.1 -0.675 66.3-159.6 -74.5 115.7 -5.4 98.7 117.4 242 256 A L H > S+ 0 0 103 -2,-0.6 4,-2.5 2,-0.2 5,-0.2 0.796 88.5 59.6 -71.5 -28.3 -4.8 102.3 116.3 243 257 A K H > S+ 0 0 165 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.962 110.9 43.0 -63.4 -46.4 -8.4 103.1 116.0 244 258 A A H > S+ 0 0 15 -60,-0.3 4,-1.9 1,-0.2 5,-0.2 0.857 111.5 54.3 -64.7 -36.5 -8.8 102.2 119.7 245 259 A R H X S+ 0 0 53 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.909 105.6 52.7 -67.9 -42.6 -5.6 104.1 120.6 246 260 A N H X S+ 0 0 104 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.906 107.3 54.5 -51.4 -46.3 -6.8 107.3 119.0 247 261 A Y H >< S+ 0 0 70 -4,-1.6 3,-1.0 2,-0.2 4,-0.3 0.938 109.3 43.3 -59.4 -50.0 -10.0 107.1 121.0 248 262 A L H >< S+ 0 0 8 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.899 109.8 60.3 -62.2 -35.6 -8.3 106.8 124.5 249 263 A L H 3< S+ 0 0 93 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.775 100.3 56.4 -59.2 -27.3 -6.1 109.6 123.2 250 264 A S T << S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.512 87.6 99.7 -83.5 -7.8 -9.2 111.7 122.8 251 265 A L S < S- 0 0 35 -3,-1.6 3,-0.1 -4,-0.3 -3,-0.0 -0.478 81.5 -95.7 -89.0 153.8 -10.5 111.5 126.4 252 266 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.277 50.6 -96.4 -59.6 149.1 -10.1 114.0 129.2 253 267 A H - 0 0 139 -23,-0.1 2,-0.4 -24,-0.0 -24,-0.0 -0.509 41.7-164.6 -67.8 128.7 -7.2 113.3 131.6 254 268 A K - 0 0 57 -2,-0.3 -24,-2.7 -3,-0.1 2,-0.1 -0.960 14.5-129.5-114.8 138.1 -8.3 111.4 134.7 255 269 A N - 0 0 120 -2,-0.4 -26,-0.4 -26,-0.2 2,-0.3 -0.461 30.2 -98.9 -81.4 155.9 -6.0 111.2 137.8 256 270 A K - 0 0 108 -28,-0.2 -28,-0.2 -2,-0.1 -29,-0.1 -0.546 27.2-149.0 -72.6 133.5 -5.2 107.9 139.5 257 271 A V - 0 0 53 -30,-2.8 5,-0.1 -2,-0.3 -1,-0.0 -0.935 25.2-123.5 -99.9 115.9 -7.3 107.1 142.6 258 272 A P >> - 0 0 60 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.256 15.0-123.2 -61.0 148.5 -5.1 105.0 144.9 259 273 A W H 3> S+ 0 0 14 1,-0.3 4,-2.4 2,-0.2 3,-0.1 0.795 110.0 59.6 -63.3 -35.6 -6.6 101.7 145.9 260 274 A N H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.694 100.8 57.0 -71.3 -17.2 -6.5 102.4 149.6 261 275 A R H <4 S+ 0 0 161 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.836 112.5 41.1 -76.1 -35.4 -8.8 105.4 149.0 262 276 A L H < S+ 0 0 53 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.800 129.0 29.3 -75.9 -36.0 -11.4 103.0 147.3 263 277 A F S >< S+ 0 0 16 -4,-2.4 3,-1.6 1,-0.1 -1,-0.2 -0.674 70.4 170.8-126.0 75.0 -10.9 100.2 149.9 264 278 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.676 80.0 43.6 -60.1 -23.3 -9.9 102.0 153.2 265 279 A N T 3 S+ 0 0 157 -59,-0.1 2,-0.1 -3,-0.1 3,-0.1 0.382 88.1 116.8-104.1 3.1 -10.3 98.9 155.2 266 280 A A S < S- 0 0 26 -3,-1.6 2,-0.1 1,-0.1 -3,-0.1 -0.377 77.5 -96.3 -74.4 149.7 -8.6 96.4 152.9 267 281 A D > - 0 0 53 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.426 32.0-133.7 -56.4 129.3 -5.4 94.5 153.8 268 282 A S H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.777 105.3 54.8 -64.9 -27.0 -2.6 96.5 152.3 269 283 A K H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.914 106.0 52.2 -69.5 -43.4 -1.0 93.3 150.9 270 284 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.904 110.4 48.8 -55.5 -44.4 -4.2 92.5 149.1 271 285 A L H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.841 107.2 53.5 -67.2 -36.8 -4.2 95.9 147.6 272 286 A D H X S+ 0 0 67 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.904 113.4 44.3 -62.1 -39.7 -0.7 95.6 146.4 273 287 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 3,-0.2 0.930 111.1 53.3 -70.0 -47.0 -1.6 92.4 144.7 274 288 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 3,-0.4 0.922 106.0 54.2 -49.6 -48.7 -4.8 93.9 143.3 275 289 A D H < S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 107.7 50.7 -55.2 -39.1 -2.8 96.8 141.8 276 290 A K H < S+ 0 0 84 -4,-1.3 10,-2.0 -3,-0.2 3,-0.4 0.783 113.3 44.5 -73.4 -28.2 -0.6 94.3 140.0 277 291 A M H < S+ 0 0 0 -4,-1.7 2,-1.3 -3,-0.4 -2,-0.2 0.893 109.9 54.3 -78.2 -43.8 -3.5 92.4 138.5 278 292 A L S < S+ 0 0 1 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 -0.391 76.6 137.1 -90.7 60.5 -5.5 95.5 137.5 279 293 A T - 0 0 31 -2,-1.3 6,-0.1 -3,-0.4 -3,-0.1 -0.905 53.1-139.9-109.0 134.3 -2.6 97.0 135.4 280 294 A F S S+ 0 0 12 -2,-0.4 -99,-0.2 4,-0.1 -1,-0.1 0.890 85.4 72.5 -65.4 -43.5 -3.6 98.5 132.1 281 295 A N S >> S- 0 0 8 1,-0.2 3,-1.2 -3,-0.1 4,-1.0 -0.618 72.1-152.9 -78.0 114.1 -0.6 97.2 130.1 282 296 A P T 34 S+ 0 0 19 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.794 92.2 58.7 -63.2 -26.8 -1.0 93.5 129.7 283 297 A H T 34 S+ 0 0 154 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.764 109.5 44.3 -68.8 -27.0 2.8 92.9 129.4 284 298 A K T <4 S+ 0 0 111 -3,-1.2 -1,-0.2 2,-0.1 3,-0.1 0.547 88.6 112.7 -94.1 -10.6 3.3 94.5 132.9 285 299 A R S < S- 0 0 4 -4,-1.0 -8,-0.2 -3,-0.3 -9,-0.1 -0.326 79.8 -99.5 -62.5 138.3 0.4 92.6 134.5 286 300 A I - 0 0 16 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.320 36.1-128.5 -62.3 143.0 1.4 90.0 137.1 287 301 A E > - 0 0 123 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.561 25.5-103.4 -91.2 159.0 1.5 86.4 135.9 288 302 A V H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.863 118.8 46.8 -53.1 -42.4 -0.2 83.6 137.7 289 303 A E H > S+ 0 0 101 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 111.7 50.2 -69.9 -38.1 3.0 82.1 139.4 290 304 A Q H 4 S+ 0 0 103 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.866 109.5 53.7 -61.4 -36.4 4.2 85.5 140.5 291 305 A A H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 6,-0.3 0.933 105.6 51.5 -67.5 -44.6 0.7 86.1 142.0 292 306 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 110.0 51.8 -57.3 -35.8 0.8 82.8 144.0 293 307 A A T 3< S+ 0 0 48 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.345 84.0 118.6 -84.1 6.5 4.2 84.0 145.4 294 308 A H S X S- 0 0 16 -3,-1.7 3,-2.5 1,-0.1 4,-0.4 -0.464 77.9-116.1 -78.2 144.3 2.9 87.4 146.5 295 309 A P G > S+ 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.840 111.2 68.8 -53.4 -29.4 3.1 88.1 150.2 296 310 A Y G 3 S+ 0 0 11 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.816 104.7 42.3 -53.1 -33.8 -0.7 88.3 150.4 297 311 A L G X> S+ 0 0 0 -3,-2.5 3,-2.3 -6,-0.3 4,-2.1 0.325 77.9 115.2 -97.4 7.8 -0.9 84.5 149.8 298 312 A E T <4 + 0 0 126 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 0.729 67.0 65.0 -55.1 -23.7 2.0 83.5 152.1 299 313 A Q T 34 S+ 0 0 156 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.780 120.3 20.5 -67.5 -26.9 -0.3 81.5 154.4 300 314 A Y T <4 S+ 0 0 79 -3,-2.3 -2,-0.2 -8,-0.1 -1,-0.2 0.605 87.9 123.0-116.5 -23.1 -1.1 79.0 151.7 301 315 A Y < + 0 0 96 -4,-2.1 -8,-0.1 -7,-0.1 5,-0.0 -0.164 21.8 146.8 -52.3 129.0 1.7 79.3 149.1 302 316 A D > - 0 0 68 1,-0.0 3,-1.9 3,-0.0 -1,-0.0 -0.532 26.6-169.7-166.1 90.1 3.4 75.9 148.5 303 317 A P G > S+ 0 0 65 0, 0.0 3,-1.6 0, 0.0 -2,-0.0 0.776 85.5 66.1 -64.0 -26.0 4.6 75.3 145.0 304 318 A S G 3 S+ 0 0 114 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.679 109.2 41.0 -64.7 -16.2 5.3 71.7 145.6 305 319 A D G < S+ 0 0 85 -3,-1.9 -1,-0.3 1,-0.1 -3,-0.0 -0.157 93.4 88.1-124.1 35.0 1.6 71.4 146.0 306 320 A E S < S- 0 0 4 -3,-1.6 -1,-0.1 -178,-0.0 -180,-0.0 -0.777 75.5-147.0-135.0 79.2 0.5 73.6 143.1 307 321 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.049 9.0-152.1 -53.7 146.7 0.4 71.2 140.2 308 322 A I - 0 0 101 -176,-0.1 2,-0.2 -177,-0.1 -179,-0.1 -0.876 35.4 -92.0-111.0 157.2 1.2 72.0 136.6 309 323 A A - 0 0 10 -180,-0.5 -241,-0.1 -2,-0.3 -242,-0.0 -0.440 23.8-157.5 -71.2 134.2 -0.4 70.1 133.7 310 324 A E S S+ 0 0 160 1,-0.2 -1,-0.1 -2,-0.2 -177,-0.0 0.733 89.4 47.5 -77.3 -23.7 1.6 67.1 132.4 311 325 A A S S- 0 0 44 -244,-0.1 -1,-0.2 0, 0.0 -178,-0.1 -0.549 77.0-173.3-125.7 65.1 -0.1 67.3 129.0 312 326 A P - 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