==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 07-DEC-11 3V04 . COMPND 2 MOLECULE: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.HEALD,P.JACKSON,P.SAVY,M.JONES,E.GANCIA,B.BURTON,R.NEWMAN, . 289 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 14.2 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 . 3 1.0 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 . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+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 0 2 1 1 2 2 2 0 0 0 0 0 1 0 0 0 0 0 1 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 1 1 0 1 1 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 . 0 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 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 61 A M 0 0 166 0, 0.0 2,-0.3 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 146.8 43.4 -26.8 -9.0 2 62 A E - 0 0 168 69,-0.1 2,-0.3 1,-0.0 69,-0.1 -0.652 360.0-131.9 -85.3 140.1 41.7 -30.0 -10.1 3 63 A L + 0 0 20 -2,-0.3 2,-0.3 69,-0.2 69,-0.1 -0.714 28.4 174.9 -95.9 146.4 38.0 -30.0 -10.8 4 64 A K > - 0 0 94 -2,-0.3 3,-1.3 69,-0.1 4,-0.1 -0.989 38.7-111.4-155.4 149.1 35.6 -32.6 -9.4 5 65 A D G > S+ 0 0 77 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.805 109.8 50.7 -58.5 -42.2 31.8 -33.2 -9.4 6 66 A D G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.582 96.1 71.1 -78.6 -9.7 30.9 -32.6 -5.7 7 67 A D G < S+ 0 0 29 -3,-1.3 21,-2.2 21,-0.1 -1,-0.3 0.424 90.7 82.8 -80.0 0.5 32.7 -29.2 -5.7 8 68 A F E < -A 27 0A 19 -3,-1.2 2,-0.3 19,-0.2 19,-0.2 -0.630 54.3-168.2-109.8 165.4 29.9 -27.7 -7.8 9 69 A E E -A 26 0A 117 17,-0.8 17,-2.0 -2,-0.2 2,-0.2 -0.923 27.4-120.3-153.0 120.5 26.5 -26.3 -7.3 10 70 A K E +A 25 0A 144 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.452 29.2 173.1 -68.4 126.5 23.9 -25.6 -10.0 11 71 A I E - 0 0 87 13,-2.6 2,-0.2 1,-0.4 14,-0.2 0.866 64.9 -36.4 -90.0 -61.9 22.8 -21.9 -10.3 12 72 A S E -A 24 0A 57 12,-1.4 12,-1.7 0, 0.0 2,-0.6 -0.848 61.9 -91.9-147.0-176.9 20.6 -22.2 -13.5 13 73 A E E -A 23 0A 109 -2,-0.2 10,-0.2 10,-0.2 3,-0.1 -0.951 24.2-168.1-108.1 118.8 20.5 -23.9 -16.9 14 74 A L E - 0 0 55 8,-1.3 2,-0.3 -2,-0.6 9,-0.2 0.654 58.2 -77.4 -77.7 -18.7 22.1 -21.9 -19.7 15 75 A G E -A 22 0A 29 7,-1.2 7,-2.4 2,-0.0 2,-0.3 -0.853 39.4-105.6 147.3-179.5 20.6 -24.1 -22.4 16 76 A A E +A 21 0A 73 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.934 22.7 173.7-140.1 161.8 20.7 -27.5 -24.2 17 77 A G - 0 0 52 3,-1.8 3,-0.4 -2,-0.3 4,-0.0 -0.376 56.5 -57.0-179.6 89.9 21.7 -28.8 -27.6 18 78 A N S S+ 0 0 142 1,-0.3 2,-0.5 -2,-0.1 3,-0.1 0.841 122.4 8.0 52.4 80.8 21.9 -32.2 -29.0 19 79 A G S S+ 0 0 56 1,-0.0 -1,-0.3 20,-0.0 21,-0.2 -0.974 123.6 36.2 111.2-109.8 24.3 -34.2 -26.7 20 80 A G - 0 0 10 -2,-0.5 -3,-1.8 -3,-0.4 2,-0.4 -0.212 57.8-147.2 -80.9 160.2 25.0 -32.0 -23.7 21 81 A V E -AB 16 38A 47 17,-1.1 17,-2.7 -5,-0.2 2,-0.4 -0.928 21.5-143.6-109.3 148.5 23.2 -29.5 -21.6 22 82 A V E -AB 15 37A 29 -7,-2.4 -8,-1.3 -2,-0.4 -7,-1.2 -0.947 13.1-161.9-116.5 137.8 25.2 -26.7 -20.1 23 83 A F E -AB 13 36A 30 13,-2.1 13,-2.7 -2,-0.4 2,-0.7 -0.863 24.1-125.3-114.1 146.5 24.6 -25.2 -16.6 24 84 A K E +AB 12 35A 64 -12,-1.7 -13,-2.6 -2,-0.3 -12,-1.4 -0.865 50.2 176.8 -81.6 118.2 25.7 -21.9 -15.0 25 85 A V E -AB 10 34A 1 9,-2.5 9,-2.4 -2,-0.7 2,-0.5 -0.851 33.7-129.8-127.7 162.7 27.5 -23.3 -11.9 26 86 A S E -AB 9 33A 26 -17,-2.0 2,-1.1 -2,-0.3 -17,-0.8 -0.967 15.1-144.8-111.5 120.2 29.4 -22.1 -8.9 27 87 A H E >> -A 8 0A 4 5,-2.5 4,-2.9 -2,-0.5 3,-0.7 -0.778 18.2-156.0 -80.3 99.7 32.8 -23.8 -8.2 28 88 A K T 34 S+ 0 0 109 -21,-2.2 -1,-0.2 -2,-1.1 -20,-0.1 0.829 83.6 50.7 -51.8 -45.8 32.5 -23.7 -4.4 29 89 A P T 34 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.822 123.6 29.0 -66.3 -33.0 36.3 -23.9 -3.6 30 90 A S T <4 S- 0 0 60 -3,-0.7 -2,-0.2 2,-0.1 3,-0.1 0.705 96.0-133.3 -95.1 -26.5 37.3 -21.0 -6.0 31 91 A G < + 0 0 52 -4,-2.9 -3,-0.2 1,-0.3 2,-0.1 0.332 56.5 143.7 85.5 -4.2 34.0 -19.0 -5.9 32 92 A L - 0 0 81 -5,-0.4 -5,-2.5 -6,-0.1 2,-0.5 -0.369 50.4-132.6 -73.3 143.1 34.1 -18.7 -9.7 33 93 A V E +B 26 0A 57 -7,-0.2 52,-0.6 -3,-0.1 2,-0.3 -0.836 38.8 168.8 -89.2 130.8 31.0 -18.8 -11.9 34 94 A M E -BC 25 84A 2 -9,-2.4 -9,-2.5 -2,-0.5 2,-0.6 -0.810 39.3-114.4-133.3 171.9 31.5 -21.1 -14.8 35 95 A A E -BC 24 83A 8 48,-2.7 48,-2.5 -2,-0.3 2,-0.8 -0.975 29.5-160.7-110.5 116.7 29.6 -22.8 -17.6 36 96 A R E -BC 23 82A 14 -13,-2.7 -13,-2.1 -2,-0.6 2,-0.6 -0.873 0.9-161.7-105.1 103.7 29.6 -26.6 -17.1 37 97 A K E -BC 22 81A 33 44,-2.6 44,-2.4 -2,-0.8 2,-0.5 -0.755 6.4-161.5 -81.0 120.7 28.8 -28.5 -20.2 38 98 A L E -BC 21 80A 18 -17,-2.7 -17,-1.1 -2,-0.6 2,-0.5 -0.905 4.7-169.1-102.2 130.9 27.7 -32.1 -19.5 39 99 A I E - C 0 79A 11 40,-1.8 40,-2.0 -2,-0.5 2,-0.4 -0.949 17.1-138.8-123.4 111.8 27.9 -34.7 -22.3 40 100 A H E + C 0 78A 116 -2,-0.5 2,-0.4 -21,-0.2 38,-0.2 -0.536 29.3 171.9 -69.8 118.7 26.2 -38.1 -21.7 41 101 A L - 0 0 14 36,-1.8 2,-1.6 -2,-0.4 118,-0.1 -0.945 29.8-156.1-134.0 112.6 28.4 -40.9 -23.1 42 102 A E + 0 0 183 -2,-0.4 2,-0.3 36,-0.0 36,-0.1 -0.694 53.1 143.7 -79.7 86.0 27.7 -44.5 -22.5 43 103 A I - 0 0 55 -2,-1.6 -2,-0.1 1,-0.0 34,-0.1 -0.954 55.2 -95.9-141.4 146.3 31.4 -45.3 -23.1 44 104 A K > - 0 0 167 -2,-0.3 4,-1.1 1,-0.1 3,-0.3 -0.193 35.2-118.0 -65.2 153.4 34.1 -47.6 -21.8 45 105 A P T 4 S+ 0 0 82 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.608 105.6 61.3 -72.7 -12.9 36.5 -46.4 -19.1 46 106 A A T >> S+ 0 0 73 2,-0.2 3,-0.6 1,-0.1 4,-0.6 0.926 108.8 38.7 -76.3 -47.6 39.7 -46.7 -21.1 47 107 A I H 3> S+ 0 0 53 -3,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.641 106.6 64.0 -84.1 -16.9 38.8 -44.2 -23.9 48 108 A R H 3X S+ 0 0 65 -4,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.606 101.3 54.1 -79.1 -13.1 37.0 -41.7 -21.5 49 109 A N H <> S+ 0 0 76 -3,-0.6 4,-1.5 -4,-0.3 -2,-0.2 0.711 106.4 52.2 -81.3 -27.0 40.5 -41.3 -19.9 50 110 A Q H X S+ 0 0 59 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.828 105.3 54.6 -74.7 -34.5 41.8 -40.4 -23.4 51 111 A I H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.912 111.2 44.4 -65.0 -44.9 39.1 -37.8 -23.9 52 112 A I H X S+ 0 0 30 -4,-0.9 4,-0.7 2,-0.2 -1,-0.2 0.879 112.3 53.2 -64.8 -39.3 40.1 -36.0 -20.7 53 113 A R H < S+ 0 0 161 -4,-1.5 3,-0.2 1,-0.2 -2,-0.2 0.846 112.5 44.0 -65.3 -34.5 43.8 -36.4 -21.6 54 114 A E H >< S+ 0 0 58 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.692 106.0 60.7 -85.9 -22.0 43.2 -34.8 -25.0 55 115 A L H >< S+ 0 0 4 -4,-1.4 3,-1.8 1,-0.2 -1,-0.2 0.633 83.8 82.6 -76.9 -15.6 41.0 -32.0 -23.6 56 116 A Q G >< S+ 0 0 73 -4,-0.7 3,-1.3 1,-0.3 4,-0.3 0.643 73.6 73.8 -63.2 -16.0 44.0 -30.9 -21.5 57 117 A V G X S+ 0 0 61 -3,-0.8 3,-1.4 1,-0.2 -1,-0.3 0.721 78.4 75.8 -70.4 -20.4 45.3 -29.0 -24.5 58 118 A L G X S+ 0 0 17 -3,-1.8 3,-0.6 1,-0.3 11,-0.3 0.660 81.4 69.0 -62.8 -17.9 42.5 -26.4 -23.8 59 119 A H G < S+ 0 0 74 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.785 103.3 43.5 -67.7 -28.9 44.7 -25.2 -20.9 60 120 A E G < S+ 0 0 121 -3,-1.4 2,-1.3 -4,-0.3 -1,-0.2 0.294 88.4 98.6 -94.6 6.2 47.1 -23.8 -23.6 61 121 A C < + 0 0 3 -3,-0.6 2,-0.6 -4,-0.1 -1,-0.1 -0.536 50.1 155.8 -93.1 68.1 44.2 -22.5 -25.7 62 122 A N + 0 0 110 -2,-1.3 5,-0.1 6,-0.1 -3,-0.0 -0.865 10.2 129.3-101.9 117.4 44.5 -18.9 -24.5 63 123 A S B > -E 66 0B 23 -2,-0.6 3,-1.5 3,-0.5 53,-0.0 -0.959 62.6-122.9-163.0 144.4 43.2 -16.2 -26.8 64 124 A P T 3 S+ 0 0 78 0, 0.0 80,-0.2 0, 0.0 52,-0.1 0.710 117.1 49.8 -63.4 -19.3 40.8 -13.2 -26.6 65 125 A Y T 3 S+ 0 0 66 50,-0.1 81,-1.9 80,-0.1 2,-0.4 0.120 101.8 73.7-106.5 17.7 38.8 -14.9 -29.4 66 126 A I B < S-Ef 63 146B 2 -3,-1.5 -3,-0.5 79,-0.3 81,-0.2 -0.997 87.4-110.2-133.8 130.8 38.6 -18.4 -27.7 67 127 A V - 0 0 11 79,-2.4 -2,-0.1 -2,-0.4 -6,-0.1 -0.324 43.5-109.9 -59.4 131.5 36.4 -19.3 -24.7 68 128 A G - 0 0 21 -4,-0.1 16,-1.8 1,-0.1 2,-0.4 -0.216 25.9-138.7 -69.5 153.3 38.6 -20.0 -21.6 69 129 A F E +D 83 0A 25 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.928 23.7 173.5-118.3 136.4 39.1 -23.4 -20.1 70 130 A Y E - 0 0 75 12,-2.7 2,-0.3 -2,-0.4 13,-0.2 0.773 60.2 -62.0-105.9 -43.6 39.1 -24.3 -16.5 71 131 A G E -D 82 0A 6 11,-1.3 11,-2.3 -69,-0.1 2,-0.3 -0.923 37.4-124.0 168.6 168.2 39.3 -28.1 -16.5 72 132 A A E +D 81 0A 15 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.989 27.8 155.4-137.2 146.7 37.7 -31.5 -17.5 73 133 A F E -D 80 0A 20 7,-1.6 7,-2.9 -2,-0.3 2,-0.5 -0.948 37.5-108.6-155.5 172.4 36.7 -34.6 -15.7 74 134 A Y E +D 79 0A 70 -2,-0.3 5,-0.2 5,-0.2 -69,-0.2 -0.958 33.9 171.8-113.9 129.9 34.4 -37.7 -15.8 75 135 A S - 0 0 38 3,-2.7 2,-0.7 -2,-0.5 -1,-0.1 0.448 59.2 -33.7-103.7-121.0 31.5 -38.0 -13.4 76 136 A D S S- 0 0 151 1,-0.1 3,-0.1 3,-0.0 -1,-0.0 -0.763 123.6 -30.5-114.7 84.5 28.7 -40.6 -13.5 77 137 A G S S+ 0 0 16 -2,-0.7 -36,-1.8 1,-0.2 2,-0.3 0.461 124.7 82.9 88.1 3.5 28.1 -41.5 -17.1 78 138 A E E -C 40 0A 56 -38,-0.2 -3,-2.7 -36,-0.1 2,-0.5 -0.996 68.2-135.7-140.3 142.3 29.0 -38.0 -18.4 79 139 A I E -CD 39 74A 2 -40,-2.0 -40,-1.8 -2,-0.3 2,-0.5 -0.865 26.0-146.7 -94.7 129.2 32.2 -36.0 -19.3 80 140 A S E -CD 38 73A 0 -7,-2.9 -7,-1.6 -2,-0.5 2,-0.5 -0.845 12.4-168.7 -99.6 128.4 32.2 -32.5 -17.9 81 141 A I E -CD 37 72A 22 -44,-2.4 -44,-2.6 -2,-0.5 2,-0.5 -0.984 11.0-159.3-112.0 124.7 33.9 -29.6 -19.7 82 142 A C E +CD 36 71A 0 -11,-2.3 -12,-2.7 -2,-0.5 -11,-1.3 -0.911 23.0 157.1-110.9 122.1 34.2 -26.5 -17.5 83 143 A M E -CD 35 69A 18 -48,-2.5 -48,-2.7 -2,-0.5 -14,-0.2 -0.792 46.0 -60.8-138.3 171.1 34.6 -23.1 -19.2 84 144 A E E -C 34 0A 32 -16,-1.8 2,-0.5 -2,-0.2 -50,-0.2 -0.341 51.3-123.4 -51.3 129.5 34.3 -19.4 -19.0 85 145 A H - 0 0 42 -52,-0.6 2,-0.7 -60,-0.1 -1,-0.1 -0.732 20.9-154.7 -75.3 124.8 30.7 -18.3 -18.4 86 146 A M > - 0 0 11 -2,-0.5 3,-1.2 1,-0.1 52,-0.2 -0.917 2.0-161.3-105.1 108.0 29.8 -15.9 -21.2 87 147 A D T 3 S+ 0 0 61 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.565 86.3 56.1 -73.1 -10.6 27.0 -13.7 -19.9 88 148 A G T 3 S- 0 0 7 50,-1.4 -1,-0.3 1,-0.2 51,-0.2 0.614 98.5-149.4 -90.6 -18.6 25.8 -12.5 -23.3 89 149 A G E < -G 138 0B 14 -3,-1.2 49,-2.7 49,-0.6 -1,-0.2 -0.375 35.5 -29.4 85.1-161.3 25.2 -16.1 -24.5 90 150 A S E >> -G 137 0B 12 47,-0.2 4,-1.6 -2,-0.1 3,-0.7 -0.537 55.3-114.0 -93.7 162.0 25.5 -17.4 -28.1 91 151 A L H 3> S+ 0 0 1 45,-2.2 4,-1.0 42,-1.6 43,-0.2 0.666 115.1 61.5 -72.1 -17.8 24.9 -15.4 -31.3 92 152 A D H 3> S+ 0 0 48 41,-0.6 4,-1.1 44,-0.2 -1,-0.3 0.841 106.0 48.5 -72.8 -33.1 21.9 -17.6 -32.1 93 153 A Q H <> S+ 0 0 91 -3,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.898 111.6 47.2 -68.2 -43.9 20.3 -16.3 -28.9 94 154 A V H X S+ 0 0 2 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.725 107.5 58.6 -73.3 -21.4 21.1 -12.7 -29.6 95 155 A L H X S+ 0 0 12 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.847 100.9 55.2 -73.9 -36.0 19.8 -13.1 -33.1 96 156 A K H < S+ 0 0 153 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.930 116.8 36.1 -59.2 -47.3 16.3 -14.2 -31.8 97 157 A K H < S+ 0 0 138 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.832 120.1 47.7 -76.0 -33.7 16.1 -11.0 -29.7 98 158 A A H < S- 0 0 31 -4,-1.9 2,-1.7 1,-0.2 -2,-0.2 0.723 85.5-148.9 -82.7 -23.2 17.7 -8.6 -32.2 99 159 A G S < S+ 0 0 38 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.2 -0.541 79.7 11.9 81.6 -71.0 15.9 -9.7 -35.4 100 160 A R S S- 0 0 96 -2,-1.7 95,-0.2 -3,-0.1 94,-0.1 -0.926 76.1-127.5-125.0 159.9 18.9 -8.9 -37.4 101 161 A I - 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0 0 102 -2,-0.2 4,-1.3 1,-0.1 3,-0.4 -0.131 36.1 -92.3 -68.6 173.9 11.9 -14.9 -52.8 206 268 A A H > S+ 0 0 82 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.811 126.1 52.6 -61.0 -32.3 11.6 -11.2 -53.9 207 269 A K H > S+ 0 0 164 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.806 107.0 50.9 -74.8 -31.8 8.4 -10.8 -51.8 208 270 A E H > S+ 0 0 61 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.726 107.6 55.2 -76.2 -23.5 9.9 -12.1 -48.6 209 271 A L H X S+ 0 0 52 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.702 104.5 53.6 -78.7 -24.3 12.8 -9.7 -49.1 210 272 A E H < S+ 0 0 151 -4,-0.8 -2,-0.2 3,-0.3 -1,-0.2 0.852 107.1 51.2 -75.4 -37.4 10.4 -6.8 -49.3 211 273 A L H < S+ 0 0 152 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.1 0.847 116.4 39.9 -68.9 -38.0 8.8 -7.8 -45.9 212 274 A M H < 0 0 44 -4,-1.2 -2,-0.2 -5,-0.1 -3,-0.1 0.969 360.0 360.0 -71.1 -58.2 12.2 -7.9 -44.2 213 275 A F < 0 0 91 -4,-1.9 -3,-0.3 -5,-0.1 -2,-0.2 0.719 360.0 360.0-110.1 360.0 13.7 -4.9 -45.9 214 ! 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 0.0 215 306 A P 0 0 175 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.0 6.8 -25.0 -44.3 216 307 A P - 0 0 121 0, 0.0 2,-0.0 0, 0.0 -52,-0.0 -0.446 360.0-103.8 -67.9 145.0 10.3 -26.1 -43.1 217 308 A M - 0 0 49 -16,-0.2 2,-0.1 -2,-0.1 -16,-0.0 -0.334 32.6-111.3 -66.9 148.9 12.4 -28.1 -45.7 218 309 A A > - 0 0 55 1,-0.1 4,-1.7 -2,-0.0 5,-0.2 -0.343 34.2-106.0 -71.2 165.7 12.8 -31.8 -45.3 219 310 A I H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.928 117.7 41.5 -67.5 -48.5 16.3 -33.0 -44.5 220 311 A F H > S+ 0 0 153 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 112.0 55.8 -64.8 -42.9 17.2 -34.4 -47.9 221 312 A E H > S+ 0 0 113 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.856 111.5 45.1 -56.1 -37.2 15.6 -31.5 -49.7 222 313 A L H X S+ 0 0 7 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.889 113.6 46.6 -76.2 -43.9 17.8 -29.1 -47.8 223 314 A L H X S+ 0 0 55 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.827 109.5 55.8 -69.7 -32.0 21.1 -31.0 -48.1 224 315 A D H X S+ 0 0 54 -4,-2.5 4,-2.1 1,-0.2 5,-0.4 0.856 105.9 52.0 -66.8 -36.0 20.4 -31.5 -51.8 225 316 A Y H X S+ 0 0 51 -4,-1.1 4,-1.6 -5,-0.2 -2,-0.2 0.902 107.1 52.9 -66.2 -40.6 20.1 -27.7 -52.1 226 317 A I H < S+ 0 0 3 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 119.1 32.8 -62.4 -41.5 23.5 -27.2 -50.4 227 318 A V H < S+ 0 0 28 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.791 131.5 26.6 -89.1 -29.8 25.4 -29.5 -52.7 228 319 A N H < S+ 0 0 101 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.634 107.4 68.3-112.1 -21.6 23.6 -29.1 -56.1 229 320 A E S < S- 0 0 89 -4,-1.6 0, 0.0 -5,-0.4 0, 0.0 -0.721 94.5 -84.5-104.7 155.5 22.1 -25.6 -56.1 230 321 A P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.208 55.4 -96.9 -62.0 149.8 24.0 -22.3 -56.2 231 322 A P - 0 0 46 0, 0.0 20,-0.1 0, 0.0 -5,-0.0 -0.207 45.6 -87.0 -70.8 155.6 25.2 -20.9 -52.9 232 323 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 19,-0.1 -0.299 43.2-152.9 -62.9 140.2 23.2 -18.3 -50.8 233 324 A K - 0 0 164 -33,-0.1 11,-0.0 -3,-0.1 3,-0.0 -0.799 21.1-112.9-108.8 154.5 23.9 -14.7 -51.6 234 325 A L - 0 0 7 -2,-0.3 5,-0.0 10,-0.2 -42,-0.0 -0.750 50.3-103.7 -78.4 133.3 23.6 -11.6 -49.5 235 326 A P > - 0 0 23 0, 0.0 4,-0.6 0, 0.0 3,-0.1 -0.353 39.1-110.5 -66.7 141.6 20.8 -9.6 -51.0 236 327 A S T 4 S+ 0 0 103 1,-0.2 2,-1.1 2,-0.1 4,-0.1 -0.268 87.0 21.4 -73.2 155.3 21.8 -6.6 -53.1 237 328 A G T 4 S+ 0 0 68 2,-0.4 -1,-0.2 1,-0.1 4,-0.1 -0.503 110.3 63.1 96.1 -65.0 21.2 -3.0 -52.0 238 329 A V T 4 S+ 0 0 77 -2,-1.1 2,-0.3 -3,-0.1 -1,-0.1 0.657 102.2 53.9 -75.2 -17.9 20.8 -3.1 -48.3 239 330 A F S < S- 0 0 18 -4,-0.6 -2,-0.4 1,-0.1 -5,-0.0 -0.876 94.4-100.5-114.7 153.1 24.4 -4.5 -47.6 240 331 A S > - 0 0 31 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.239 27.6-118.4 -68.1 158.1 27.7 -3.0 -48.8 241 332 A L H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.807 112.7 55.8 -67.7 -30.8 29.5 -4.4 -51.8 242 333 A E H > S+ 0 0 85 2,-0.2 4,-1.5 1,-0.2 27,-0.4 0.819 108.4 46.9 -71.9 -33.3 32.5 -5.3 -49.8 243 334 A F H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 5,-0.2 0.864 110.4 52.7 -74.9 -39.1 30.5 -7.4 -47.3 244 335 A Q H X S+ 0 0 25 -4,-1.8 4,-1.6 1,-0.2 -10,-0.2 0.892 110.7 47.6 -60.9 -41.5 28.7 -9.1 -50.2 245 336 A D H X S+ 0 0 60 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.880 107.9 57.4 -67.0 -37.9 32.0 -10.0 -51.8 246 337 A F H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.938 111.4 39.1 -58.5 -52.4 33.3 -11.3 -48.4 247 338 A V H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.795 112.3 58.4 -71.1 -29.2 30.5 -13.9 -48.0 248 339 A N H < S+ 0 0 62 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.886 106.7 48.1 -66.7 -37.9 30.6 -14.8 -51.7 249 340 A K H >< S+ 0 0 80 -4,-2.2 10,-1.8 1,-0.2 3,-0.6 0.805 112.0 50.7 -69.5 -31.3 34.3 -15.7 -51.3 250 341 A C H 3< S+ 0 0 0 -4,-1.3 -62,-0.2 1,-0.2 -1,-0.2 0.733 110.6 49.6 -74.8 -23.8 33.3 -17.8 -48.2 251 342 A L T 3< + 0 0 2 -4,-1.2 2,-0.5 -3,-0.2 -1,-0.2 0.161 69.1 133.1-110.9 17.3 30.6 -19.6 -50.0 252 343 A I < - 0 0 41 -3,-0.6 6,-0.2 1,-0.2 -67,-0.1 -0.592 54.3-140.8 -65.9 119.2 32.3 -20.8 -53.2 253 344 A K S S+ 0 0 53 -2,-0.5 -82,-0.3 4,-0.1 -1,-0.2 0.881 86.0 77.0 -51.7 -47.3 31.3 -24.4 -53.5 254 345 A N S > S- 0 0 80 1,-0.2 4,-1.8 -84,-0.1 -2,-0.1 -0.565 74.0-154.3 -67.9 116.1 34.8 -25.5 -54.6 255 346 A P T 4 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.784 92.5 49.2 -68.7 -29.7 36.9 -25.5 -51.4 256 347 A A T 4 S+ 0 0 97 1,-0.2 4,-0.1 -3,-0.0 -2,-0.1 0.811 114.8 45.5 -74.2 -32.2 40.2 -25.0 -53.2 257 348 A E T 4 S+ 0 0 137 2,-0.1 -1,-0.2 -3,-0.1 -4,-0.1 0.797 99.7 94.3 -76.1 -28.5 38.7 -22.1 -55.2 258 349 A R S < S- 0 0 5 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.284 89.3 -95.8 -67.4 146.3 37.2 -20.8 -51.9 259 350 A A - 0 0 5 -10,-1.8 2,-0.2 1,-0.1 -1,-0.1 -0.257 37.4-148.6 -60.9 144.4 39.0 -18.2 -49.8 260 351 A D > - 0 0 61 -4,-0.1 4,-2.1 -76,-0.1 5,-0.2 -0.543 34.2 -89.7-106.4 179.3 41.2 -19.3 -46.9 261 352 A L H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -143,-0.1 0.859 122.8 55.3 -59.5 -40.5 41.9 -17.6 -43.6 262 353 A K H > S+ 0 0 170 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.930 111.2 43.4 -57.7 -49.4 45.0 -15.7 -45.0 263 354 A Q H 4 S+ 0 0 116 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.871 112.3 51.8 -68.3 -40.0 43.0 -14.1 -47.8 264 355 A L H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 6,-0.3 0.805 100.9 63.6 -66.6 -30.2 40.0 -13.2 -45.8 265 356 A M H 3< S+ 0 0 60 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 110.1 37.8 -62.9 -36.5 42.2 -11.5 -43.2 266 357 A V T 3< S+ 0 0 103 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.273 89.9 128.1 -99.3 8.0 43.3 -8.9 -45.8 267 358 A H S <> S- 0 0 23 -3,-1.0 4,-2.2 -4,-0.2 3,-0.5 -0.273 71.8-115.0 -63.6 151.7 39.9 -8.6 -47.5 268 359 A A H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.809 114.3 56.7 -58.5 -34.8 38.4 -5.1 -47.9 269 360 A F H > S+ 0 0 0 -27,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.866 109.9 44.1 -65.7 -39.0 35.5 -5.9 -45.6 270 361 A I H > S+ 0 0 2 -3,-0.5 4,-2.8 -6,-0.3 5,-0.2 0.923 111.5 51.8 -72.6 -47.7 37.9 -6.8 -42.7 271 362 A K H X S+ 0 0 143 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.902 113.0 47.2 -53.8 -42.9 40.2 -3.9 -43.2 272 363 A R H X S+ 0 0 64 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.900 113.2 46.8 -66.2 -43.2 37.2 -1.6 -43.2 273 364 A S H < S+ 0 0 10 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.813 106.0 59.3 -72.8 -31.9 35.7 -3.2 -40.0 274 365 A D H < S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.906 109.7 45.0 -53.8 -44.8 39.1 -3.1 -38.3 275 366 A A H < S+ 0 0 78 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.805 93.8 100.0 -72.9 -32.5 39.0 0.7 -38.7 276 367 A E S < S- 0 0 48 -4,-1.3 2,-0.7 1,-0.1 -3,-0.0 -0.143 70.7-130.4 -64.6 150.2 35.4 1.2 -37.6 277 368 A E + 0 0 191 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.903 36.9 169.3-103.6 107.6 34.5 2.4 -34.1 278 369 A V - 0 0 34 -2,-0.7 2,-1.5 -5,-0.1 3,-0.2 -0.983 35.4-150.3-127.4 124.7 31.8 0.1 -32.7 279 370 A D > + 0 0 119 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 -0.696 31.5 164.9 -85.1 79.6 30.5 -0.1 -29.1 280 371 A F H > S+ 0 0 1 -2,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.889 73.5 54.0 -66.9 -41.0 29.8 -3.8 -29.5 281 372 A A H > S+ 0 0 23 -3,-0.2 4,-2.1 1,-0.2 5,-0.2 0.924 111.1 46.4 -54.4 -47.4 29.5 -4.1 -25.7 282 373 A G H > S+ 0 0 32 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.831 114.0 46.4 -68.1 -35.9 26.9 -1.3 -25.7 283 374 A W H X S+ 0 0 52 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.865 111.8 52.1 -72.6 -37.6 24.9 -2.7 -28.6 284 375 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.2 0.941 113.6 41.5 -66.7 -49.9 24.9 -6.2 -27.2 285 376 A C H X>S+ 0 0 12 -4,-2.1 4,-1.6 1,-0.2 5,-0.9 0.828 112.0 57.5 -67.3 -34.2 23.6 -5.2 -23.8 286 377 A S H <5S+ 0 0 99 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.849 110.6 42.3 -63.8 -37.0 21.1 -2.8 -25.4 287 378 A T H <5S+ 0 0 43 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.744 125.1 31.5 -86.6 -26.1 19.4 -5.5 -27.5 288 379 A I H <5S- 0 0 28 -4,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.504 106.3-118.2-109.5 -7.7 19.3 -8.3 -24.8 289 380 A G T <5 + 0 0 66 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.981 67.9 119.4 66.4 87.8 18.8 -6.2 -21.7 290 381 A L < 0 0 81 -5,-0.9 -4,-0.1 1,-0.3 -5,-0.1 0.438 360.0 360.0-137.5 -73.5 21.8 -6.8 -19.3 291 382 A N 0 0 163 -9,-0.0 -1,-0.3 -151,-0.0 -2,-0.1 -0.564 360.0 360.0 -76.6 360.0 24.0 -3.8 -18.3