==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 05-JAN-12 3VN9 . COMPND 2 MOLECULE: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KINOSHITA,H.MATSUZAKA,R.NAKAI,Y.KIRII,K.YOKOTA,T.TADA,T.MA . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 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 0.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 32.6 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 2 1 2 0 1 0 3 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 2 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 . 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 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 44 A Q 0 0 147 0, 0.0 72,-0.0 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 176.1 -0.2 -56.0 0.4 2 45 A N - 0 0 134 2,-0.0 3,-0.1 0, 0.0 0, 0.0 0.841 360.0-141.7-112.6 -71.3 -3.4 -58.2 0.4 3 46 A F + 0 0 64 1,-0.2 70,-0.0 0, 0.0 0, 0.0 0.812 31.4 174.4 50.0 119.8 -7.0 -56.9 -0.4 4 47 A E - 0 0 69 0, 0.0 -1,-0.2 0, 0.0 28,-0.1 -0.992 43.0-141.4 70.8 12.9 -9.6 -57.8 1.0 5 48 A V - 0 0 98 -3,-0.1 69,-0.0 1,-0.1 71,-0.0 -0.094 37.1 -81.1 -45.4 123.7 -11.3 -55.1 -1.3 6 49 A K + 0 0 29 2,-0.0 -1,-0.1 3,-0.0 2,-0.1 0.107 50.8 126.6 -53.9 172.2 -14.1 -53.1 0.7 7 50 A A S S- 0 0 56 -3,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.756 75.1 -5.1-125.7-154.7 -16.8 -52.8 1.7 8 51 A D S S+ 0 0 145 2,-0.1 -2,-0.0 -2,-0.1 3,-0.0 0.050 102.1 97.6 -92.4 108.4 -18.6 -52.3 3.9 9 52 A D + 0 0 22 21,-0.0 21,-1.4 2,-0.0 2,-0.5 0.462 42.0 100.3-139.1 5.7 -15.7 -52.3 6.1 10 53 A L E -A 29 0A 25 19,-0.2 19,-0.2 20,-0.1 -2,-0.1 -0.851 50.8-152.4-105.2 130.4 -14.2 -49.0 7.0 11 54 A E E -A 28 0A 90 17,-1.4 17,-1.1 -2,-0.5 -2,-0.0 -0.868 17.2-128.7-105.0 120.3 -14.9 -47.5 10.3 12 55 A P E +A 27 0A 85 0, 0.0 15,-0.2 0, 0.0 3,-0.1 -0.353 34.8 166.7 -62.9 138.7 -14.9 -43.7 10.6 13 56 A I E - 0 0 86 13,-2.5 2,-0.3 1,-0.7 14,-0.2 0.656 61.2 -13.7-124.8 -33.2 -12.7 -42.7 13.4 14 57 A M E -A 26 0A 111 12,-1.5 12,-1.5 2,-0.0 -1,-0.7 -0.950 64.2-135.8-167.9 149.6 -11.9 -39.0 13.3 15 58 A E E +A 25 0A 78 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.830 30.6 161.9-111.6 165.1 -12.4 -36.9 10.5 16 59 A L E + 0 0 61 8,-2.1 2,-0.1 1,-0.4 9,-0.1 -0.066 49.5 49.5-177.2 72.8 -9.9 -34.7 9.6 17 60 A G E + 0 0 18 2,-0.0 7,-4.2 9,-0.0 -1,-0.4 -0.151 48.8 152.8 145.6 97.8 -9.8 -33.2 6.3 18 61 A R E +A 23 0A 147 5,-0.3 2,-0.3 -3,-0.1 5,-0.2 -0.956 16.3 130.9-139.2 147.4 -12.8 -31.6 4.8 19 62 A G - 0 0 57 3,-1.7 2,-0.4 -2,-0.4 -2,-0.0 -0.678 67.2 -52.2-159.4-136.6 -12.3 -29.0 2.3 20 63 A A S S+ 0 0 72 -2,-0.3 2,-0.3 1,-0.1 3,-0.0 -0.941 117.5 24.4-121.4 164.9 -14.1 -29.1 -0.8 21 64 A Y S S+ 0 0 64 -2,-0.4 21,-1.8 19,-0.1 2,-0.3 -0.657 125.8 27.0 70.8 -41.8 -14.4 -31.7 -3.3 22 65 A G E - B 0 41A 9 -2,-0.3 -3,-1.7 19,-0.2 2,-0.4 -0.805 58.0-146.3-126.4 164.2 -13.6 -34.3 -0.6 23 66 A V E -AB 18 40A 33 17,-0.6 17,-1.5 -2,-0.3 2,-0.4 -0.993 24.3-157.2-121.1 127.9 -13.8 -35.1 3.1 24 67 A V E - B 0 39A 31 -7,-4.2 -8,-2.1 -2,-0.4 2,-0.3 -0.907 11.6-172.0-107.5 139.5 -10.9 -37.1 4.3 25 68 A E E -AB 15 38A 39 13,-2.2 13,-1.5 -2,-0.4 2,-0.4 -0.962 32.1-118.5-128.0 143.3 -11.1 -39.3 7.4 26 69 A K E +AB 14 37A 66 -12,-1.5 -13,-2.5 -2,-0.3 -12,-1.5 -0.700 53.8 170.2 -68.8 130.6 -8.9 -41.3 9.7 27 70 A M E -AB 12 36A 7 9,-3.0 9,-1.8 -2,-0.4 2,-0.5 -0.879 33.2-125.0-141.3 168.6 -10.5 -44.7 9.2 28 71 A R E -AB 11 35A 94 -17,-1.1 -17,-1.4 -2,-0.3 2,-0.5 -0.936 11.6-144.3-128.1 108.9 -9.8 -48.3 10.1 29 72 A H E >> -AB 10 34A 7 5,-1.9 5,-0.7 -2,-0.5 4,-0.7 -0.597 18.9-155.5 -65.2 119.5 -9.8 -51.1 7.5 30 73 A V T 45S+ 0 0 58 -21,-1.4 3,-0.3 -2,-0.5 -1,-0.1 0.885 81.9 54.6 -76.3 -43.7 -11.3 -54.0 9.5 31 74 A P T 45S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.949 124.9 26.1 -52.1 -47.2 -9.9 -57.2 7.7 32 75 A S T 45S- 0 0 44 2,-0.1 -2,-0.2 -28,-0.1 3,-0.1 0.446 95.5-132.5 -95.1 -1.8 -6.3 -56.0 8.1 33 76 A G T <5 + 0 0 40 -4,-0.7 2,-0.5 -3,-0.3 -3,-0.2 0.756 55.2 153.9 48.5 26.8 -6.7 -53.8 11.2 34 77 A Q E < -B 29 0A 74 -5,-0.7 -5,-1.9 1,-0.0 -1,-0.2 -0.747 44.9-129.3 -89.7 119.5 -4.7 -51.2 9.1 35 78 A I E +B 28 0A 88 -2,-0.5 2,-0.3 -7,-0.2 53,-0.3 -0.346 38.2 175.9 -66.9 155.6 -5.2 -47.5 10.0 36 79 A M E -B 27 0A 4 -9,-1.8 -9,-3.0 51,-0.2 2,-0.4 -0.991 32.7-130.3-167.0 142.2 -5.9 -45.5 6.9 37 80 A A E -BC 26 86A 9 49,-2.7 49,-3.3 -2,-0.3 2,-0.4 -0.884 28.4-164.6-108.1 144.2 -6.8 -42.1 5.5 38 81 A V E -BC 25 85A 1 -13,-1.5 -13,-2.2 -2,-0.4 2,-0.4 -0.986 13.3-160.6-142.8 122.8 -9.8 -41.9 3.1 39 82 A K E -BC 24 84A 24 45,-2.5 45,-3.2 -2,-0.4 2,-0.6 -0.877 8.6-160.0-103.2 137.4 -10.9 -39.2 0.8 40 83 A R E -BC 23 83A 79 -17,-1.5 -17,-0.6 -2,-0.4 43,-0.3 -0.919 17.7-149.5-124.3 95.3 -14.5 -39.5 -0.3 41 84 A I E -BC 22 82A 7 41,-3.4 41,-0.6 -2,-0.6 -19,-0.2 -0.334 25.0 -84.6 -79.8 152.3 -14.8 -37.4 -3.5 42 85 A R - 0 0 45 -21,-1.8 40,-0.4 39,-0.2 -1,-0.1 0.083 59.2 -82.9 -41.7 156.5 -18.0 -35.5 -4.7 43 86 A A S S- 0 0 70 38,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.565 73.9-167.7 -41.3 -5.4 -20.6 -37.5 -6.7 44 87 A T - 0 0 22 1,-0.2 -1,-0.1 -23,-0.1 37,-0.1 0.046 21.3-108.0 43.1-154.1 -18.1 -36.6 -9.4 45 88 A V + 0 0 125 35,-0.1 -1,-0.2 -3,-0.1 2,-0.1 -0.391 47.3 163.8-167.5 84.2 -19.2 -37.1 -13.0 46 89 A N - 0 0 52 34,-0.1 2,-0.3 4,-0.0 3,-0.1 -0.442 20.7-156.2 -94.2 170.4 -17.5 -40.1 -14.8 47 90 A S > - 0 0 55 -2,-0.1 4,-2.5 1,-0.1 5,-0.1 -0.781 31.7-110.4-128.3-178.1 -18.4 -42.0 -17.9 48 91 A Q H > S+ 0 0 166 -2,-0.3 4,-1.5 2,-0.2 5,-0.2 0.934 117.1 54.3 -82.5 -45.6 -17.4 -45.6 -18.8 49 92 A E H 4 S+ 0 0 127 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.721 122.9 32.7 -51.3 -25.2 -14.9 -44.6 -21.6 50 93 A Q H >> S+ 0 0 54 2,-0.1 4,-1.5 3,-0.1 3,-1.1 0.813 107.2 66.7 -98.7 -48.7 -13.2 -42.4 -18.9 51 94 A K H 3X S+ 0 0 69 -4,-2.5 4,-3.1 1,-0.3 5,-0.2 0.739 95.0 60.1 -51.7 -32.5 -13.8 -44.4 -15.7 52 95 A R H 3X S+ 0 0 160 -4,-1.5 4,-1.4 2,-0.2 -1,-0.3 0.927 103.0 51.1 -61.0 -46.5 -11.5 -47.2 -17.0 53 96 A L H <> S+ 0 0 86 -3,-1.1 4,-2.3 -4,-0.2 -2,-0.2 0.904 116.3 40.8 -59.7 -44.7 -8.6 -44.8 -17.1 54 97 A L H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.894 115.2 50.5 -67.3 -42.0 -9.3 -43.7 -13.6 55 98 A M H X S+ 0 0 89 -4,-3.1 4,-1.0 -5,-0.2 -2,-0.2 0.646 114.0 48.6 -71.4 -13.5 -10.0 -47.2 -12.4 56 99 A D H X S+ 0 0 83 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.885 101.8 56.2 -88.9 -52.5 -6.7 -48.2 -14.1 57 100 A L H X S+ 0 0 26 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.821 105.9 59.7 -46.9 -34.5 -4.4 -45.6 -12.6 58 101 A D H X S+ 0 0 5 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.996 104.3 44.4 -52.6 -68.3 -5.8 -47.0 -9.4 59 102 A I H < S+ 0 0 92 -4,-1.0 4,-0.4 1,-0.3 -2,-0.2 0.697 116.6 50.2 -58.5 -22.6 -4.4 -50.5 -10.2 60 103 A S H >X S+ 0 0 28 -4,-2.0 3,-2.0 2,-0.1 4,-0.8 0.955 107.2 51.0 -73.5 -55.1 -1.2 -48.9 -11.3 61 104 A M H 3< S+ 0 0 6 -4,-3.3 11,-0.5 1,-0.3 3,-0.5 0.763 95.0 71.0 -61.1 -31.7 -0.7 -46.7 -8.2 62 105 A R T 3< S+ 0 0 75 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.813 100.0 49.6 -55.9 -32.4 -1.2 -49.6 -5.8 63 106 A T T <4 S+ 0 0 98 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.831 81.0 115.5 -71.7 -35.5 2.2 -50.9 -7.0 64 107 A V < - 0 0 18 -4,-0.8 2,-0.4 -3,-0.5 8,-0.3 -0.062 44.6-171.1 -43.8 133.2 4.0 -47.6 -6.5 65 108 A D + 0 0 145 6,-0.1 -1,-0.1 4,-0.0 -3,-0.0 -0.759 27.9 139.0-129.7 83.4 6.7 -48.0 -3.9 66 109 A C >> - 0 0 14 -2,-0.4 3,-1.8 1,-0.1 4,-0.8 -0.991 48.7-145.8-135.7 128.1 8.0 -44.6 -3.0 67 110 A P T 34 S+ 0 0 83 0, 0.0 83,-0.1 0, 0.0 -1,-0.1 0.586 103.3 48.0 -68.2 -11.7 8.9 -43.1 0.4 68 111 A F T 34 S+ 0 0 52 83,-0.1 84,-1.5 50,-0.1 54,-0.1 0.339 101.8 69.5-106.5 3.5 7.8 -39.6 -0.7 69 112 A T T <4 S- 0 0 9 -3,-1.8 83,-0.7 82,-0.3 82,-0.0 0.981 90.2-123.1 -90.6 -69.8 4.5 -40.7 -2.2 70 113 A V < - 0 0 10 -4,-0.8 17,-0.3 81,-0.2 83,-0.1 -0.179 44.2 -97.4 152.6 -43.1 1.9 -41.8 0.5 71 114 A T - 0 0 60 15,-0.1 16,-1.6 -10,-0.1 2,-0.8 0.574 28.4-129.6 91.1 113.3 1.0 -45.4 -0.5 72 115 A F E +D 86 0A 20 -11,-0.5 14,-0.2 -8,-0.3 3,-0.1 -0.823 26.0 176.2 -91.5 110.4 -2.1 -46.0 -2.5 73 116 A Y E - 0 0 26 12,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.964 57.6 -65.8 -74.9 -59.1 -4.2 -48.7 -0.9 74 117 A G E -D 85 0A 2 11,-1.3 11,-3.2 -13,-0.1 2,-0.4 -0.994 31.0-115.6-179.5 169.3 -7.1 -48.3 -3.4 75 118 A A E -D 84 0A 8 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.987 18.8-164.0-123.9 133.6 -10.0 -46.5 -5.1 76 119 A L E -D 83 0A 30 7,-2.0 7,-1.8 -2,-0.4 2,-0.8 -0.952 9.3-152.5-112.5 133.1 -13.6 -47.6 -5.0 77 120 A F E +D 82 0A 40 -2,-0.4 5,-0.2 5,-0.2 4,-0.1 -0.811 43.5 132.8-111.2 93.2 -16.0 -46.1 -7.6 78 121 A R + 0 0 103 3,-1.5 2,-2.8 -2,-0.8 4,-0.1 0.511 57.5 10.6-110.2-120.6 -19.4 -46.2 -5.9 79 122 A E S S- 0 0 127 1,-0.2 2,-3.2 2,-0.1 -1,-0.1 -0.312 116.3 -73.9 -69.3 65.1 -22.4 -43.7 -5.3 80 123 A G S S+ 0 0 28 -2,-2.8 -1,-0.2 1,-0.2 -35,-0.1 -0.305 119.7 103.4 69.0 -54.2 -21.1 -41.2 -7.8 81 124 A D - 0 0 18 -2,-3.2 -3,-1.5 -37,-0.1 2,-0.6 -0.247 67.2-143.3 -63.8 140.3 -18.6 -40.5 -4.9 82 125 A V E -CD 41 77A 1 -41,-0.6 -41,-3.4 -40,-0.4 2,-0.5 -0.919 7.1-152.6-116.0 116.5 -15.1 -41.9 -5.3 83 126 A W E -CD 40 76A 28 -7,-1.8 -7,-2.0 -2,-0.6 2,-0.5 -0.770 8.8-170.0 -89.3 126.2 -13.3 -43.2 -2.2 84 127 A I E -CD 39 75A 8 -45,-3.2 -45,-2.5 -2,-0.5 2,-0.5 -0.986 7.8-156.9-117.1 124.1 -9.5 -43.1 -2.2 85 128 A C E +CD 38 74A 6 -11,-3.2 -12,-2.3 -2,-0.5 -11,-1.3 -0.875 22.1 163.4-106.6 128.3 -7.7 -45.0 0.6 86 129 A M E -CD 37 72A 14 -49,-3.3 -49,-2.7 -2,-0.5 -14,-0.2 -0.992 44.0 -76.6-149.7 145.6 -4.2 -43.9 1.5 87 130 A E - 0 0 15 -16,-1.6 2,-0.2 -2,-0.3 -51,-0.2 -0.013 58.2-105.1 -40.3 141.7 -1.6 -44.2 4.3 88 131 A L - 0 0 53 -53,-0.3 2,-0.3 -61,-0.1 -1,-0.1 -0.543 38.3-169.6 -78.7 140.7 -2.3 -41.9 7.2 89 132 A M - 0 0 19 -2,-0.2 56,-0.2 1,-0.1 3,-0.1 -0.907 30.3-124.4-130.9 150.1 -0.3 -38.8 7.7 90 133 A D S S- 0 0 115 -2,-0.3 2,-0.3 54,-0.2 55,-0.2 0.990 77.7 -35.9 -66.3 -49.2 -0.0 -36.4 10.5 91 134 A T E -E 144 0B 24 53,-3.2 53,-2.1 -3,-0.1 2,-0.4 -0.932 53.3 -85.9-157.6-178.3 -0.9 -33.2 8.4 92 135 A S E >> -E 143 0B 11 -2,-0.3 4,-3.4 51,-0.2 3,-1.5 -0.813 32.3-132.6 -88.3 136.7 -1.0 -30.9 5.4 93 136 A L H 3> S+ 0 0 2 49,-2.4 4,-3.1 46,-0.6 47,-0.2 0.762 109.1 58.4 -57.2 -25.9 1.8 -28.4 4.8 94 137 A D H 34 S+ 0 0 31 45,-0.6 -1,-0.3 48,-0.4 46,-0.1 0.689 111.6 40.4 -80.9 -17.9 -0.8 -25.7 4.2 95 138 A K H X> S+ 0 0 103 -3,-1.5 4,-2.3 44,-0.2 3,-1.2 0.851 118.2 50.2 -83.4 -46.0 -2.1 -26.4 7.7 96 139 A F H >X S+ 0 0 4 -4,-3.4 4,-2.5 1,-0.3 3,-0.5 0.983 105.5 52.2 -51.4 -71.0 1.4 -26.7 8.9 97 140 A Y H 3X S+ 0 0 10 -4,-3.1 4,-1.3 1,-0.3 -1,-0.3 0.571 111.6 52.8 -52.1 -2.5 2.8 -23.5 7.4 98 141 A K H <> S+ 0 0 86 -3,-1.2 4,-3.2 2,-0.2 -1,-0.3 0.863 103.6 49.8 -97.6 -47.1 -0.1 -21.9 9.2 99 142 A Q H < S+ 0 0 0 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.998 107.8 43.3 -55.6 -70.4 4.0 -21.9 11.8 101 144 A I H >< S+ 0 0 71 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.841 112.9 55.3 -38.8 -44.4 2.6 -18.4 11.2 102 145 A D H 3< S+ 0 0 138 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.806 104.2 50.6 -70.5 -32.7 0.4 -18.8 14.3 103 146 A K T << S- 0 0 120 -4,-1.9 -1,-0.3 -3,-1.1 -2,-0.2 0.161 123.9-109.7 -81.3 15.5 3.4 -19.6 16.6 104 147 A G S < S+ 0 0 56 -3,-1.6 2,-0.2 1,-0.1 -3,-0.2 0.957 75.8 112.8 47.8 91.9 4.9 -16.4 15.1 105 148 A Q - 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0 0 14 -3,-0.1 -20,-1.4 -21,-0.1 4,-0.1 0.999 60.4 -26.4 -66.5 -73.1 -1.9 -37.8 -7.6 156 199 A G S > S+ 0 0 3 -22,-0.2 4,-2.7 3,-0.1 5,-0.3 0.774 120.1 67.6-116.8 -30.7 -4.2 -38.2 -10.5 157 200 A I H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.938 101.1 47.3 -62.9 -46.0 -7.7 -38.9 -9.7 158 201 A S H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 116.6 44.2 -62.0 -46.2 -8.7 -35.6 -8.1 159 202 A G H 4 S+ 0 0 2 -24,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.7 49.4 -64.2 -42.3 -7.2 -33.6 -10.9 160 203 A Y H < S+ 0 0 74 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.917 111.5 50.4 -64.0 -41.0 -8.6 -35.7 -13.6 161 204 A L H < S+ 0 0 23 -4,-2.7 2,-0.3 -5,-0.3 -1,-0.2 0.895 130.2 10.7 -64.4 -41.1 -12.0 -35.6 -12.1 162 205 A V S < S- 0 0 36 -4,-2.3 -1,-0.3 -5,-0.3 5,-0.2 -0.675 78.9-133.3-148.6 95.5 -11.9 -31.9 -11.8 163 206 A D >> - 0 0 58 -3,-0.4 3,-1.6 -2,-0.3 4,-1.5 -0.041 21.8-121.0 -46.5 137.1 -9.4 -29.6 -13.3 164 207 A S H 3> S+ 0 0 13 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.773 110.2 59.4 -54.3 -37.0 -7.8 -26.8 -11.1 165 208 A V H >> S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 3,-0.9 0.906 108.3 47.0 -58.1 -39.9 -9.0 -23.9 -13.3 166 209 A A H <> S+ 0 0 22 -3,-1.6 4,-2.5 1,-0.3 5,-0.5 0.861 101.2 64.4 -75.3 -31.1 -12.5 -25.2 -12.7 167 210 A K H 3< S+ 0 0 7 -4,-1.5 6,-2.1 3,-0.2 5,-0.4 0.651 110.9 40.9 -64.2 -11.5 -11.8 -25.4 -9.0 168 211 A T H << S+ 0 0 2 -3,-0.9 -2,-0.2 -4,-0.6 3,-0.1 0.826 116.5 41.2 -99.3 -72.1 -11.4 -21.7 -9.1 169 212 A I H < S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.786 131.0 33.6 -43.6 -25.0 -14.2 -20.5 -11.4 170 213 A D S < S+ 0 0 113 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.728 134.5 13.7-112.9 -33.9 -16.4 -23.0 -9.6 171 214 A A S S- 0 0 45 -5,-0.5 -3,-0.1 -4,-0.3 -4,-0.1 0.159 94.3-108.7-101.0-122.3 -15.3 -23.2 -5.9 172 215 A G + 0 0 57 -5,-0.4 -4,-0.2 -2,-0.1 2,-0.1 0.047 54.7 159.1-158.8 34.7 -12.9 -20.4 -5.0 173 216 A C - 0 0 45 -6,-2.1 -2,-0.1 1,-0.1 -3,-0.0 -0.368 49.1-103.3 -69.4 135.8 -9.6 -22.1 -4.7 174 217 A K - 0 0 104 1,-0.1 2,-0.9 -2,-0.1 -1,-0.1 -0.327 45.7-107.5 -50.2 136.9 -6.4 -20.1 -5.0 175 218 A P + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.644 45.3 164.2 -83.7 102.3 -4.8 -20.7 -8.4 176 219 A Y + 0 0 21 -2,-0.9 26,-0.2 -39,-0.1 27,-0.1 0.395 47.9 103.7 -90.1 2.3 -1.7 -22.9 -8.4 177 220 A M - 0 0 2 1,-0.1 25,-0.1 -13,-0.1 19,-0.0 -0.073 67.9-106.6 -76.4-170.7 -1.8 -23.6 -12.2 178 221 A A >> - 0 0 0 1,-0.0 4,-1.6 50,-0.0 3,-0.6 -0.686 26.7-106.8-117.1 162.1 0.1 -22.3 -15.1 179 222 A P H 3> S+ 0 0 10 0, 0.0 4,-2.7 0, 0.0 49,-0.1 0.849 113.1 62.0 -59.5 -38.1 -0.6 -19.9 -17.9 180 223 A E H 34 S+ 0 0 47 1,-0.2 5,-0.4 2,-0.2 -3,-0.0 0.919 103.2 51.1 -59.5 -40.6 -0.9 -22.6 -20.5 181 224 A R H <4 S+ 0 0 47 -3,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.953 111.5 45.5 -62.6 -45.8 -3.8 -24.2 -18.7 182 225 A I H < S+ 0 0 39 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.2 54.6 -63.1 -39.4 -5.7 -21.0 -18.4 183 226 A N S < S- 0 0 87 -4,-2.7 -1,-0.2 -5,-0.2 3,-0.2 0.839 76.6-160.0 -63.6 -39.3 -4.9 -20.1 -22.0 184 227 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.972 25.9-134.6 48.1 55.4 -6.1 -23.2 -24.0 185 228 A E > - 0 0 129 -5,-0.4 3,-1.8 1,-0.1 2,-1.0 -0.260 42.0 -83.1 -49.4 106.2 -3.9 -22.2 -27.0 186 229 A L T 3 S+ 0 0 164 1,-0.2 -1,-0.1 -3,-0.2 0, 0.0 0.037 114.8 13.2 30.0 -66.6 -6.3 -22.7 -29.9 187 230 A N T 3 S+ 0 0 132 -2,-1.0 -1,-0.2 2,-0.0 -2,-0.1 0.770 94.9 114.5-105.5 -30.7 -6.1 -26.5 -30.7 188 231 A Q < + 0 0 125 -3,-1.8 2,-0.3 1,-0.1 0, 0.0 0.137 29.7 173.1 -74.3 163.3 -4.4 -28.3 -27.8 189 232 A K + 0 0 196 2,-0.0 -1,-0.1 -5,-0.0 -2,-0.0 -0.915 35.6 63.0-150.8 163.7 -5.3 -30.9 -25.1 190 233 A G S S- 0 0 48 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 0.294 75.3 -87.4 86.9 147.8 -3.6 -32.9 -22.4 191 234 A Y - 0 0 24 -58,-0.0 2,-0.4 3,-0.0 -58,-0.1 -0.775 40.6-138.2 -94.3 126.5 -1.7 -32.0 -19.3 192 235 A S >> - 0 0 53 -2,-0.5 3,-1.3 1,-0.1 4,-0.6 -0.679 14.3-129.2 -92.3 135.8 2.1 -31.3 -19.6 193 236 A V H >> S+ 0 0 36 -2,-0.4 4,-0.8 1,-0.3 3,-0.7 0.770 109.0 62.1 -42.6 -32.9 4.9 -32.4 -17.2 194 237 A K H >> S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 3,-1.5 0.935 89.7 65.2 -64.5 -48.1 6.1 -28.8 -17.2 195 238 A S H <> S+ 0 0 1 -3,-1.3 4,-1.3 1,-0.3 -1,-0.2 0.739 99.4 53.4 -47.8 -30.6 2.9 -27.4 -15.7 196 239 A D H X S+ 0 0 0 -4,-4.4 4,-1.7 1,-0.2 3,-1.3 0.939 109.1 43.4 -37.8 -76.3 7.4 -23.7 -7.9 202 245 A I H 3X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.3 -1,-0.2 0.786 109.0 59.3 -51.5 -34.6 4.4 -21.8 -6.5 203 246 A T H 3X S+ 0 0 0 -4,-3.5 4,-3.2 2,-0.2 -1,-0.3 0.953 106.1 48.4 -55.6 -49.8 4.1 -24.3 -3.7 204 247 A M H S+ 0 0 4 -4,-3.0 4,-1.8 1,-0.2 5,-1.1 0.992 113.4 45.9 -58.2 -56.7 3.8 -20.1 -0.8 207 250 A L H <5S+ 0 0 1 -4,-3.2 -100,-0.3 -5,-0.2 -1,-0.2 0.825 118.5 46.2 -52.8 -32.2 5.6 -22.2 1.8 208 251 A A H <5S+ 0 0 7 -4,-2.6 -101,-0.2 -5,-0.2 -2,-0.2 0.994 116.4 38.2 -72.9 -68.0 8.4 -19.5 1.7 209 252 A I H <5S- 0 0 74 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.640 102.2-130.0 -53.1 -17.0 6.4 -16.2 1.9 210 253 A L T <5S+ 0 0 23 -4,-1.8 2,-0.3 -5,-0.4 -3,-0.2 0.899 85.2 69.0 52.4 41.8 4.0 -17.9 4.3 211 254 A R S - 0 0 55 3,-0.1 4,-1.8 1,-0.1 3,-0.3 0.134 53.6-146.9 -59.9 137.2 -12.9 -12.3 -8.9 220 263 A P H >> S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.960 104.9 56.1 -43.3 -63.1 -11.8 -15.8 -10.0 221 264 A F H 3> S+ 0 0 139 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.821 110.1 48.2 -40.6 -36.8 -11.7 -14.7 -13.6 222 265 A Q H 3> S+ 0 0 80 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.841 103.3 56.4 -82.7 -38.6 -9.3 -11.9 -12.5 223 266 A Q H > - 0 0 55 0, 0.0 4,-1.1 0, 0.0 3,-0.6 -0.391 22.8-132.8 -73.7 142.6 12.8 -12.2 -2.6 237 280 A A G >4 S+ 0 0 68 1,-0.2 3,-0.8 2,-0.2 8,-0.1 0.913 93.2 58.6 -57.2 -72.5 16.7 -12.2 -2.4 238 281 A D G 34 S+ 0 0 128 1,-0.2 -1,-0.2 4,-0.0 4,-0.1 0.710 110.6 47.3 -20.7 -46.1 17.7 -10.8 1.0 239 282 A K G <4 S+ 0 0 158 -3,-0.6 2,-0.3 2,-0.1 -1,-0.2 0.889 105.8 46.4 -81.0 -44.4 15.8 -13.6 2.8 240 283 A F S << S- 0 0 41 -4,-1.1 5,-0.1 -3,-0.8 -1,-0.0 -0.703 88.9 -77.7-118.9 159.8 16.6 -16.9 1.1 241 284 A S >> - 0 0 41 -2,-0.3 4,-2.5 1,-0.1 3,-0.9 -0.109 43.2-130.2 -40.0 125.7 19.4 -19.2 -0.2 242 285 A A H 3> S+ 0 0 72 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.812 107.4 51.5 -63.2 -32.3 20.6 -17.8 -3.6 243 286 A E H 3> S+ 0 0 86 2,-0.2 4,-2.9 1,-0.2 27,-0.4 0.758 109.7 52.5 -73.7 -24.5 20.4 -21.2 -5.4 244 287 A F H <> S+ 0 0 0 -3,-0.9 4,-3.0 2,-0.2 5,-0.4 0.953 101.9 57.8 -68.1 -55.2 16.9 -21.4 -4.0 245 288 A V H X S+ 0 0 42 -4,-2.5 4,-1.9 1,-0.2 -10,-0.3 0.902 116.9 36.5 -34.9 -52.3 16.1 -18.0 -5.4 246 289 A D H X S+ 0 0 64 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.915 109.4 59.6 -73.2 -47.6 17.1 -19.5 -8.8 247 290 A F H X S+ 0 0 2 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.928 111.1 45.3 -47.0 -52.4 15.6 -23.0 -8.2 248 291 A T H X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -1,-0.3 0.973 108.1 56.9 -44.7 -62.2 12.4 -21.2 -7.8 249 292 A S H < S+ 0 0 51 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.809 105.0 51.7 -49.7 -40.9 13.0 -19.1 -10.9 250 293 A Q H >< S+ 0 0 55 -4,-2.7 3,-2.0 1,-0.2 -1,-0.2 0.980 109.0 49.6 -56.9 -60.0 13.5 -22.1 -13.1 251 294 A C H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.798 112.0 50.7 -47.3 -35.4 10.2 -23.7 -12.0 252 295 A L T 3< + 0 0 5 -4,-1.8 -1,-0.3 -5,-0.1 2,-0.2 0.132 69.0 139.7-103.5 22.1 8.4 -20.4 -12.7 253 296 A K < - 0 0 71 -3,-2.0 6,-0.1 1,-0.1 -55,-0.1 -0.487 52.0-137.5 -62.8 130.3 9.5 -19.6 -16.2 254 297 A K S S+ 0 0 76 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 0.741 91.6 66.6 -65.4 -27.1 6.4 -18.2 -18.0 255 298 A N S > S- 0 0 79 1,-0.2 3,-2.0 -76,-0.1 4,-0.2 -0.891 81.5-145.6 -98.1 113.3 7.1 -20.1 -21.1 256 299 A S G > S+ 0 0 31 -2,-0.7 3,-1.9 1,-0.3 -1,-0.2 0.823 94.6 66.3 -47.4 -36.9 6.7 -23.8 -20.2 257 300 A K G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.804 95.3 55.6 -55.4 -35.4 9.5 -24.7 -22.7 258 301 A E G < S+ 0 0 125 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.352 85.4 102.9 -86.4 8.3 12.1 -22.9 -20.6 259 302 A R S < S- 0 0 3 -3,-1.9 -8,-0.1 -4,-0.2 -9,-0.1 -0.789 77.2-109.1 -96.5 133.7 11.3 -24.9 -17.4 260 303 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.042 24.3-123.0 -66.2 159.2 13.7 -27.7 -16.4 261 304 A T > - 0 0 45 1,-0.1 4,-2.6 -64,-0.0 5,-0.2 -0.348 35.3 -98.0 -85.7 174.2 13.0 -31.4 -16.7 262 305 A Y H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.887 125.9 50.9 -67.4 -41.0 13.2 -33.7 -13.6 263 306 A P H 4 S+ 0 0 92 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.931 113.4 50.5 -59.8 -34.1 16.6 -35.0 -14.3 264 307 A E H >> S+ 0 0 113 2,-0.2 3,-0.7 1,-0.2 4,-0.7 0.914 113.4 41.7 -67.1 -44.7 17.5 -31.3 -14.7 265 308 A L H >< S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.2 6,-0.3 0.955 107.9 61.1 -62.8 -48.7 16.0 -30.3 -11.4 266 309 A M T 3< S+ 0 0 66 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.584 108.0 46.5 -57.6 -9.5 17.4 -33.3 -9.6 267 310 A Q T <4 S+ 0 0 71 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.626 88.1 117.9-102.8 -22.2 20.8 -32.0 -10.5 268 311 A H S S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 -25,-0.1 0.886 115.8 48.9 -35.0 -60.4 22.4 -26.7 -6.7 270 313 A F H > S+ 0 0 3 -27,-0.4 4,-1.2 1,-0.2 3,-0.1 0.906 114.5 45.7 -58.1 -45.2 19.4 -26.2 -4.4 271 314 A F H > S+ 0 0 10 -6,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.939 111.5 51.0 -60.3 -49.8 18.3 -29.9 -4.8 272 315 A T H < S+ 0 0 73 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.741 104.9 57.0 -68.3 -24.7 21.8 -31.3 -4.4 273 316 A L H X S+ 0 0 82 -4,-1.7 4,-0.9 -5,-0.2 3,-0.3 0.957 113.9 35.5 -66.0 -48.9 22.5 -29.4 -1.1 274 317 A H H < S+ 0 0 3 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.1 0.800 105.0 61.3 -86.9 -34.2 19.5 -30.8 0.8 275 318 A E T < S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.662 121.4 29.7 -68.6 -16.7 19.0 -34.4 -0.3 276 319 A S T 4 S+ 0 0 102 -4,-0.4 2,-0.4 -3,-0.3 -1,-0.2 0.528 102.6 96.2-112.2 -19.7 22.5 -35.2 1.0 277 320 A K S < S- 0 0 79 -4,-0.9 2,-0.5 -5,-0.1 -4,-0.0 -0.615 76.0-131.2 -72.5 125.4 22.5 -32.6 3.7 278 321 A G + 0 0 76 -2,-0.4 2,-0.3 2,-0.0 -3,-0.1 -0.696 38.8 162.5 -73.8 122.5 21.5 -34.0 7.1 279 322 A T - 0 0 37 -2,-0.5 2,-1.0 -5,-0.1 -2,-0.0 -0.939 39.8-123.9-145.8 126.6 18.8 -31.7 8.6 280 323 A D + 0 0 97 -2,-0.3 4,-0.4 1,-0.2 -132,-0.1 -0.543 39.3 159.9 -75.9 103.9 16.4 -32.6 11.4 281 324 A V > + 0 0 17 -2,-1.0 4,-2.2 2,-0.1 3,-0.5 0.835 65.0 67.2 -90.2 -34.3 13.0 -32.0 10.1 282 325 A A H > S+ 0 0 25 1,-0.3 4,-2.3 2,-0.2 -134,-0.2 0.853 100.8 47.6 -54.4 -46.3 11.1 -34.2 12.7 283 326 A S H > S+ 0 0 63 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.783 108.7 56.0 -69.0 -29.6 11.9 -32.0 15.7 284 327 A F H > S+ 0 0 17 -3,-0.5 4,-2.5 -4,-0.4 -2,-0.2 0.895 109.2 45.2 -70.0 -43.2 10.8 -28.9 13.7 285 328 A V H X S+ 0 0 3 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.941 116.7 46.7 -58.7 -46.9 7.4 -30.5 13.1 286 329 A K H X S+ 0 0 152 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.857 111.3 52.1 -66.9 -36.9 7.4 -31.5 16.8 287 330 A L H < S+ 0 0 102 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.938 115.8 41.0 -56.3 -52.1 8.5 -27.9 17.7 288 331 A I H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.947 134.6 15.6 -67.8 -50.0 5.7 -26.5 15.6 289 332 A L H < S+ 0 0 55 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.084 85.5 146.2-117.4 25.2 2.8 -28.8 16.5 290 333 A G < 0 0 37 -4,-1.3 -1,-0.1 1,-0.2 -3,-0.1 0.748 360.0 360.0 -27.6 -94.7 4.0 -30.7 19.7 291 334 A D 0 0 218 -5,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.613 360.0 360.0 -50.6 360.0 1.5 -31.7 22.4