==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-NOV-11 3UIB . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR S.HORJALES,D.SCHMIDT-ARRAS,O.LECLERCQ,G.SPATH,A.BUSCHIAZZO . 309 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 60.2 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 . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 2 0 0 0 2 0 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 7 A A 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.7 21.6 35.1 49.0 2 8 A A > + 0 0 53 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.353 360.0 67.0-152.4 -43.8 20.5 32.1 46.9 3 9 A M G > S+ 0 0 122 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.755 94.5 62.5 -60.1 -31.7 22.8 31.8 43.8 4 10 A R G > S+ 0 0 62 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.689 93.3 63.8 -69.2 -23.4 25.8 30.7 46.1 5 11 A D G < S+ 0 0 121 -3,-1.2 3,-0.5 1,-0.2 -1,-0.2 0.752 99.1 53.8 -72.2 -27.6 23.9 27.6 47.2 6 12 A L G <> S+ 0 0 46 -3,-0.7 4,-0.9 -4,-0.5 -1,-0.2 0.484 86.0 81.4 -86.9 -4.8 23.9 26.1 43.7 7 13 A I T <4 S+ 0 0 154 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.778 98.6 42.4 -69.5 -26.5 27.7 26.5 43.2 8 14 A A T 4 S+ 0 0 98 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.516 122.9 42.4 -92.5 -12.1 28.0 23.1 45.2 9 15 A E T 4 0 0 79 1,-0.2 -2,-0.2 -3,-0.2 -3,-0.1 0.845 360.0 360.0 -96.7 -85.5 25.1 21.6 43.2 10 16 A L < 0 0 117 -4,-0.9 -1,-0.2 2,-0.0 -2,-0.1 -0.934 360.0 360.0-112.5 360.0 25.1 22.4 39.4 11 ! 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 12 25 A V 0 0 71 0, 0.0 2,-0.3 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 -4.6 22.7 29.4 36.4 13 26 A Q 0 0 63 9,-0.1 9,-0.2 -10,-0.0 10,-0.1 -0.851 360.0 360.0-122.8 156.3 21.6 32.8 38.0 14 27 A R 0 0 100 7,-0.6 7,-0.6 -2,-0.3 -11,-0.0 -0.932 360.0 360.0-159.0 360.0 19.8 36.0 36.9 15 ! 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 16 34 A Y 0 0 211 0, 0.0 2,-0.3 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 -35.1 5.4 29.2 48.7 17 35 A G - 0 0 34 18,-0.1 2,-0.5 2,-0.0 18,-0.2 -0.944 360.0 -75.6 163.5-177.9 9.1 29.5 47.7 18 36 A A E -A 34 0A 60 16,-2.5 16,-2.9 -2,-0.3 2,-0.4 -0.947 38.2-158.1-115.7 114.0 11.8 31.7 46.0 19 37 A V E +A 33 0A 76 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.781 17.2 168.0 -95.5 131.8 11.8 31.8 42.1 20 38 A C E -A 32 0A 72 12,-2.5 12,-3.0 -2,-0.4 2,-0.1 -0.996 25.1-127.2-144.4 142.8 15.0 32.8 40.2 21 39 A A E +A 31 0A 24 -7,-0.6 -7,-0.6 -2,-0.3 2,-0.2 -0.235 39.0 128.2 -83.1 170.8 16.1 32.6 36.5 22 40 A G E -A 30 0A 11 8,-1.2 8,-2.8 -9,-0.2 2,-0.2 -0.905 50.5 -74.5 160.8 174.7 19.2 31.1 34.8 23 41 A V E -A 29 0A 70 -2,-0.2 4,-0.1 6,-0.2 -9,-0.0 -0.657 40.4-130.3 -96.6 152.2 20.7 28.8 32.2 24 42 A D - 0 0 27 4,-1.5 -1,-0.1 2,-0.7 6,-0.0 0.032 45.6 -75.5 -84.1-165.3 20.7 24.9 32.3 25 43 A S S S+ 0 0 110 2,-0.1 2,-0.2 -13,-0.0 -2,-0.0 0.857 127.7 32.1 -61.5 -36.6 23.6 22.4 31.8 26 44 A E S S- 0 0 62 2,-0.1 2,-2.4 0, 0.0 -2,-0.7 -0.633 122.3 -70.0-110.7 168.8 23.2 23.3 28.1 27 45 A G S S+ 0 0 80 -2,-0.2 -2,-0.1 -4,-0.1 -4,-0.0 -0.373 85.3 129.4 -65.9 71.5 22.1 26.7 26.6 28 46 A I - 0 0 93 -2,-2.4 -4,-1.5 51,-0.0 2,-0.6 -0.995 58.3-127.8-128.0 126.2 18.5 26.5 27.7 29 47 A P E +A 23 0A 82 0, 0.0 51,-1.6 0, 0.0 -6,-0.2 -0.652 42.1 171.2 -79.2 117.6 16.7 29.4 29.7 30 48 A V E -AB 22 79A 10 -8,-2.8 -8,-1.2 -2,-0.6 2,-0.4 -0.709 33.4-127.4-121.4 170.0 15.0 27.9 32.8 31 49 A A E -AB 21 78A 21 47,-2.6 47,-1.8 -2,-0.2 2,-0.5 -0.991 21.1-162.3-122.6 119.1 13.2 28.9 36.0 32 50 A I E -AB 20 77A 30 -12,-3.0 -12,-2.5 -2,-0.4 2,-0.4 -0.930 1.1-163.3-109.9 122.4 14.6 27.5 39.4 33 51 A K E -AB 19 76A 32 43,-2.8 43,-2.4 -2,-0.5 2,-0.5 -0.901 4.4-158.2-105.4 128.1 12.3 27.6 42.5 34 52 A R E +AB 18 75A 55 -16,-2.9 -16,-2.5 -2,-0.4 2,-0.4 -0.949 16.6 168.6-113.3 120.0 13.9 27.1 46.0 35 53 A V + 0 0 15 39,-2.8 7,-0.1 -2,-0.5 3,-0.1 -0.998 22.1 125.1-131.1 121.8 11.8 26.0 48.9 36 54 A F + 0 0 132 -2,-0.4 5,-1.9 1,-0.4 6,-0.4 0.526 65.8 14.5-142.6 -46.3 13.4 24.9 52.3 37 55 A N 0 0 102 3,-0.2 -1,-0.4 4,-0.1 0, 0.0 -0.979 360.0 360.0-144.3 154.9 12.1 26.7 55.4 38 56 A T 0 0 155 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.996 360.0 360.0-145.6 360.0 9.2 29.0 56.6 39 ! 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 40 64 A N > 0 0 76 0, 0.0 4,-0.6 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 151.4 12.1 22.5 57.8 41 65 A I T 4 + 0 0 15 -5,-1.9 7,-0.2 2,-0.2 10,-0.1 0.856 360.0 51.1 -94.7 -48.8 9.3 22.0 55.1 42 66 A L T 4 S+ 0 0 32 -6,-0.4 -1,-0.1 1,-0.2 -5,-0.1 0.600 116.9 43.7 -65.6 -14.8 10.6 18.7 53.5 43 67 A S T 4 S+ 0 0 64 1,-0.1 2,-0.6 5,-0.0 -1,-0.2 0.827 92.6 85.2 -96.3 -44.2 10.9 17.1 57.0 44 68 A D S X S- 0 0 73 -4,-0.6 4,-2.5 1,-0.2 3,-0.3 -0.527 76.1-144.3 -65.8 106.1 7.5 18.4 58.5 45 69 A S H > S+ 0 0 26 -2,-0.6 4,-1.1 1,-0.2 254,-0.2 0.668 94.1 53.0 -45.8 -30.8 5.0 15.7 57.3 46 70 A F H > S+ 0 0 149 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.964 117.2 33.1 -72.7 -57.3 2.2 18.3 56.8 47 71 A L H > S+ 0 0 57 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.709 114.5 60.3 -72.9 -23.8 4.1 20.8 54.5 48 72 A C H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.897 103.1 52.6 -67.1 -41.6 6.1 17.9 52.9 49 73 A K H X S+ 0 0 37 -4,-1.1 4,-1.6 -5,-0.3 -2,-0.2 0.799 108.8 50.4 -62.3 -34.1 2.8 16.4 51.7 50 74 A R H X S+ 0 0 37 -4,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.872 113.0 44.3 -72.6 -40.6 1.9 19.9 50.1 51 75 A V H X S+ 0 0 22 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.887 113.3 51.4 -70.1 -41.3 5.3 20.1 48.3 52 76 A L H X S+ 0 0 9 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.872 106.4 56.0 -61.4 -39.3 4.9 16.4 47.2 53 77 A R H X S+ 0 0 45 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.876 107.5 48.1 -61.1 -40.6 1.4 17.3 45.9 54 78 A E H X S+ 0 0 35 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.941 113.8 45.9 -64.7 -51.2 2.9 20.1 43.6 55 79 A I H X S+ 0 0 10 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.917 114.0 48.6 -57.0 -49.2 5.7 17.8 42.2 56 80 A R H X S+ 0 0 44 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.842 114.1 47.1 -62.7 -35.6 3.2 14.9 41.6 57 81 A L H >X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 3,-0.5 0.945 112.0 48.3 -70.7 -50.0 0.7 17.3 39.9 58 82 A L H 3< S+ 0 0 11 -4,-3.0 3,-0.3 1,-0.2 -2,-0.2 0.889 115.6 45.9 -57.3 -41.9 3.4 19.0 37.7 59 83 A N H 3< S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.685 103.5 65.0 -73.2 -23.7 4.7 15.4 36.7 60 84 A H H << S+ 0 0 36 -4,-0.9 2,-0.2 -3,-0.5 -1,-0.2 0.860 97.0 63.6 -67.0 -39.0 1.1 14.2 36.0 61 85 A F < + 0 0 4 -4,-1.2 226,-0.1 -3,-0.3 225,-0.0 -0.642 46.8 174.5 -96.3 146.6 0.5 16.6 33.1 62 86 A H + 0 0 153 224,-0.5 5,-0.1 -2,-0.2 -3,-0.1 -0.481 40.4 124.4-144.5 59.4 2.3 16.7 29.7 63 87 A H > - 0 0 21 3,-0.3 3,-1.9 1,-0.1 223,-0.1 -0.963 66.4-124.0-125.3 141.7 0.3 19.4 27.8 64 88 A P T 3 S+ 0 0 111 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.729 112.1 51.3 -57.8 -23.1 1.5 22.7 26.1 65 89 A N T 3 S+ 0 0 7 74,-0.1 75,-1.9 2,-0.1 2,-0.4 0.372 101.7 70.4 -94.0 1.8 -1.0 24.8 28.2 66 90 A I B < S-d 140 0B 9 -3,-1.9 -3,-0.3 73,-0.2 75,-0.2 -0.988 88.9-111.8-124.7 128.9 0.1 23.3 31.6 67 91 A L - 0 0 23 73,-2.5 2,-0.3 -2,-0.4 -6,-0.2 -0.344 38.2-168.0 -62.0 127.8 3.4 24.0 33.3 68 92 A G - 0 0 33 -2,-0.1 11,-0.5 -4,-0.1 -9,-0.1 -0.923 23.8-104.0-122.7 148.1 5.7 20.9 33.5 69 93 A L E -C 78 0A 32 -2,-0.3 9,-0.3 -11,-0.2 3,-0.1 -0.397 21.9-174.5 -68.8 141.4 8.9 20.1 35.3 70 94 A R E S+ 0 0 65 7,-3.3 2,-0.2 1,-0.4 8,-0.2 0.559 83.2 5.6-106.8 -20.6 12.2 20.1 33.4 71 95 A D E C 77 0A 53 6,-1.6 6,-2.3 1,-0.1 -1,-0.4 -0.820 360.0 360.0-166.6 120.1 14.3 18.8 36.3 72 96 A I 0 0 28 241,-0.3 3,-0.2 -2,-0.2 242,-0.1 0.871 360.0 360.0 -91.8 360.0 12.9 17.6 39.7 73 ! 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 74 108 A L 0 0 59 0, 0.0 -39,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.0 14.2 21.6 47.6 75 109 A Y E -B 34 0A 129 -41,-0.2 2,-0.4 -3,-0.2 -41,-0.2 -0.863 360.0-167.5-104.8 131.7 15.0 22.9 44.1 76 110 A L E -B 33 0A 8 -43,-2.4 -43,-2.8 -2,-0.4 2,-0.4 -0.990 1.9-161.8-126.6 131.6 12.5 22.8 41.2 77 111 A V E +BC 32 71A 17 -6,-2.3 -7,-3.3 -2,-0.4 -6,-1.6 -0.956 21.2 147.5-119.6 130.2 13.2 23.4 37.5 78 112 A T E -BC 31 69A 20 -47,-1.8 -47,-2.6 -2,-0.4 -9,-0.1 -0.775 56.2 -68.3-137.9 179.3 10.7 24.3 34.7 79 113 A E E -B 30 0A 144 -11,-0.5 2,-0.5 -49,-0.2 -49,-0.3 -0.471 56.7-106.7 -72.8 148.2 11.0 26.4 31.5 80 114 A L - 0 0 62 -51,-1.6 2,-0.5 -2,-0.1 54,-0.3 -0.685 29.7-147.0 -82.1 125.8 11.4 30.2 32.0 81 115 A M - 0 0 33 -2,-0.5 52,-0.2 1,-0.1 3,-0.0 -0.857 8.0-140.1 -98.1 122.1 8.3 32.2 31.2 82 116 A R S S- 0 0 125 -2,-0.5 2,-0.2 50,-0.3 51,-0.2 0.869 71.7 -35.8 -40.4 -59.6 8.8 35.7 29.8 83 117 A T E -E 132 0B 29 49,-1.4 49,-3.1 50,-0.1 2,-0.2 -0.844 61.9-102.5-154.6-177.5 6.0 37.4 31.8 84 118 A D E > -E 131 0B 41 47,-0.3 4,-1.1 -2,-0.2 47,-0.3 -0.700 33.2-107.8-113.6 168.4 2.4 36.7 33.1 85 119 A L H > S+ 0 0 0 45,-2.9 4,-2.4 42,-1.0 5,-0.2 0.844 115.5 62.8 -63.4 -36.8 -1.1 37.9 31.9 86 120 A A H > S+ 0 0 22 41,-1.5 4,-3.0 44,-0.2 -1,-0.2 0.900 104.0 47.8 -56.0 -45.2 -1.4 40.4 34.8 87 121 A Q H 4 S+ 0 0 128 40,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.809 111.1 50.8 -66.9 -33.4 1.6 42.3 33.6 88 122 A V H >< S+ 0 0 8 -4,-1.1 3,-0.7 2,-0.2 -2,-0.2 0.916 116.0 40.9 -72.1 -38.6 0.3 42.4 30.0 89 123 A I H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.920 114.3 52.7 -70.7 -46.4 -3.2 43.7 31.1 90 124 A H T 3< S+ 0 0 111 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 0.159 94.6 77.5 -81.3 19.9 -1.6 46.2 33.7 91 125 A D X - 0 0 35 -3,-0.7 3,-1.8 3,-0.2 -1,-0.2 -0.818 61.0-170.9-130.3 86.2 0.7 47.7 31.0 92 126 A Q T 3 S+ 0 0 124 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.604 80.4 71.6 -53.4 -19.0 -1.5 50.1 28.9 93 127 A R T 3 S+ 0 0 208 2,-0.1 2,-0.5 1,-0.0 -1,-0.3 0.873 89.2 69.2 -65.4 -39.7 1.5 50.6 26.4 94 128 A I S < S- 0 0 82 -3,-1.8 2,-0.4 -6,-0.2 -3,-0.2 -0.719 82.9-146.9 -81.4 122.2 0.8 47.0 25.2 95 129 A V - 0 0 120 -2,-0.5 2,-0.7 1,-0.0 -2,-0.1 -0.792 2.6-150.7 -96.5 132.7 -2.5 46.8 23.3 96 130 A I - 0 0 18 -2,-0.4 -2,-0.0 85,-0.2 88,-0.0 -0.903 16.6-157.2-105.3 103.0 -4.6 43.6 23.6 97 131 A S >> - 0 0 26 -2,-0.7 4,-2.0 1,-0.1 3,-1.0 -0.389 31.8-107.8 -73.2 156.8 -6.6 43.3 20.3 98 132 A P H 3> S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.828 124.3 57.3 -55.0 -30.3 -9.9 41.2 20.2 99 133 A Q H 3> S+ 0 0 129 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.829 107.0 47.6 -65.6 -37.0 -7.8 38.6 18.2 100 134 A H H <> S+ 0 0 81 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.861 110.9 50.6 -72.5 -38.7 -5.3 38.4 21.1 101 135 A I H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.939 110.5 49.9 -63.2 -46.9 -8.1 38.0 23.7 102 136 A Q H X S+ 0 0 29 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.879 113.7 45.0 -58.5 -45.2 -9.7 35.1 21.6 103 137 A Y H X S+ 0 0 78 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.942 115.4 46.9 -65.0 -49.9 -6.3 33.3 21.3 104 138 A F H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.924 113.8 48.1 -56.8 -51.0 -5.5 33.8 25.0 105 139 A M H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.889 108.1 54.8 -58.2 -43.9 -8.9 32.6 26.1 106 140 A Y H X S+ 0 0 10 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.918 114.4 40.4 -57.3 -45.0 -8.8 29.6 23.8 107 141 A H H X S+ 0 0 25 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.876 113.7 52.8 -72.7 -37.9 -5.5 28.5 25.5 108 142 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.964 113.1 44.7 -58.9 -53.8 -6.6 29.5 29.0 109 143 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.791 110.7 54.9 -60.3 -34.0 -9.8 27.3 28.6 110 144 A L H X S+ 0 0 4 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.942 108.2 48.4 -66.7 -46.0 -7.7 24.4 27.0 111 145 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.917 113.4 47.0 -57.4 -46.1 -5.4 24.3 30.1 112 146 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.904 109.5 54.7 -61.9 -43.1 -8.5 24.3 32.4 113 147 A H H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 106.8 51.2 -55.9 -44.6 -10.1 21.5 30.2 114 148 A V H X S+ 0 0 1 -4,-2.3 4,-1.1 2,-0.2 174,-0.3 0.895 113.6 44.3 -61.4 -43.5 -6.9 19.4 30.7 115 149 A L H >X>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 3,-1.1 0.976 113.5 49.6 -64.7 -55.2 -7.1 19.9 34.5 116 150 A H H ><5S+ 0 0 7 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.804 107.8 54.6 -52.3 -39.6 -10.9 19.2 34.7 117 151 A E H 3<5S+ 0 0 102 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.809 110.3 45.9 -66.6 -31.3 -10.6 16.0 32.6 118 152 A A H <<5S- 0 0 0 -4,-1.1 173,-3.0 -3,-1.1 -1,-0.2 0.462 124.5-108.0 -88.6 -2.9 -7.9 14.7 35.1 119 153 A G T <<5S+ 0 0 49 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.2 0.663 73.3 141.1 83.5 21.9 -10.3 15.8 38.0 120 154 A V < - 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0 0 76 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.319 36.9 -94.2 -78.6 165.8 -18.6 42.3 20.4 245 290 A P H > S+ 0 0 108 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.826 126.4 52.6 -54.0 -32.8 -22.0 40.6 20.9 246 291 A V H > S+ 0 0 58 2,-0.2 4,-1.5 1,-0.2 27,-0.2 0.915 111.6 44.9 -68.6 -43.5 -20.4 37.1 20.4 247 292 A A H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.861 113.5 51.0 -66.3 -39.9 -17.8 37.8 23.1 248 293 A L H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.831 104.9 56.9 -66.8 -35.7 -20.4 39.2 25.5 249 294 A D H X S+ 0 0 69 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.933 111.6 42.5 -61.3 -45.7 -22.6 36.2 25.0 250 295 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.923 112.5 52.4 -65.3 -49.4 -19.8 33.9 26.2 251 296 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.908 110.4 49.0 -52.5 -50.5 -18.7 36.2 29.1 252 297 A A H < S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.4 48.5 -58.2 -39.0 -22.4 36.3 30.4 253 298 A K H < S+ 0 0 89 -4,-1.4 10,-1.5 1,-0.2 3,-0.4 0.867 112.7 46.6 -72.1 -37.0 -22.5 32.5 30.2 254 299 A M H < S+ 0 0 0 -4,-2.4 2,-0.9 1,-0.2 -2,-0.2 0.839 109.0 59.4 -70.0 -37.5 -19.2 32.0 32.0 255 300 A L S < S+ 0 0 2 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 -0.460 70.0 144.8 -94.6 58.7 -20.4 34.5 34.7 256 301 A E - 0 0 69 -2,-0.9 6,-0.1 -3,-0.4 -84,-0.1 -0.873 46.0-144.9 -94.9 125.5 -23.5 32.7 35.9 257 302 A F S S+ 0 0 17 -2,-0.5 -100,-0.3 -53,-0.1 -1,-0.2 0.965 91.1 59.0 -52.7 -57.1 -24.1 33.3 39.7 258 303 A N S >> S- 0 0 8 1,-0.1 3,-1.9 -3,-0.1 4,-0.5 -0.617 78.0-150.5 -76.8 117.9 -25.5 29.7 40.0 259 304 A P T 34 S+ 0 0 4 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.660 92.2 74.0 -65.7 -12.5 -22.8 27.2 38.9 260 305 A Q T 34 S+ 0 0 115 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.631 106.2 35.7 -70.2 -17.4 -25.7 24.8 37.8 261 306 A R T <4 S+ 0 0 126 -3,-1.9 -1,-0.2 2,-0.1 2,-0.1 0.379 91.8 120.0-110.6 -9.9 -26.2 27.2 34.8 262 307 A R S < S- 0 0 13 -4,-0.5 -8,-0.2 -3,-0.2 -9,-0.1 -0.415 74.3-104.9 -64.8 133.4 -22.5 28.0 34.3 263 308 A I - 0 0 24 -10,-1.5 -1,-0.1 -13,-0.2 -7,-0.1 -0.366 37.8-123.8 -60.7 131.8 -21.1 27.1 30.8 264 309 A S > - 0 0 49 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.241 22.4-105.3 -73.5 167.3 -18.9 23.9 30.9 265 310 A T H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.915 122.6 44.6 -59.3 -44.8 -15.3 23.8 29.7 266 311 A E H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 113.2 49.7 -65.4 -49.3 -16.4 21.8 26.6 267 312 A Q H > S+ 0 0 114 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.802 112.0 48.0 -59.8 -36.0 -19.4 24.1 25.8 268 313 A A H >< S+ 0 0 0 -4,-2.1 3,-0.8 2,-0.2 6,-0.3 0.920 111.7 49.5 -72.2 -43.4 -17.3 27.3 26.1 269 314 A L H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.803 113.8 47.6 -62.4 -30.8 -14.6 25.9 23.8 270 315 A R H 3< S+ 0 0 120 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.553 86.8 115.6 -86.6 -13.9 -17.4 24.9 21.4 271 316 A H S X< S- 0 0 15 -3,-0.8 3,-1.7 -4,-0.6 4,-0.2 -0.213 82.8-110.5 -55.6 144.7 -19.1 28.4 21.6 272 317 A P G > S+ 0 0 82 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.660 110.7 78.3 -54.4 -17.0 -19.1 30.5 18.2 273 318 A Y G 3 S+ 0 0 20 1,-0.3 3,-0.3 -27,-0.2 -26,-0.1 0.852 100.3 39.0 -58.0 -37.8 -16.6 32.9 19.8 274 319 A F G X> S+ 0 0 0 -3,-1.7 4,-3.6 -6,-0.3 3,-1.3 0.200 81.2 116.8 -97.9 11.4 -13.8 30.3 19.2 275 320 A E T <4 S+ 0 0 156 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.866 76.9 48.3 -47.7 -49.1 -15.1 29.2 15.7 276 321 A S T 34 S+ 0 0 98 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.691 125.2 30.6 -67.4 -22.2 -11.9 30.5 13.9 277 322 A L T <4 S+ 0 0 49 -3,-1.3 -2,-0.2 -4,-0.1 -1,-0.2 0.670 93.8 109.5-105.9 -30.6 -9.6 28.7 16.4 278 323 A F < + 0 0 47 -4,-3.6 -8,-0.0 -7,-0.1 3,-0.0 -0.337 31.9 168.9 -62.9 134.2 -11.6 25.7 17.5 279 324 A D > - 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