==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-SEP-08 3ENM . COMPND 2 MOLECULE: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.MIN,R.AKELLA,H.HE,J.M.HUMPHREYS,S.TSUTAKAWA,S.-J.LEE,J.A.T . 1107 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 61 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 378 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 7 0 1 2 3 3 12 0 0 0 0 0 1 7 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 4 4 9 3 2 4 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 6 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 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 46 A F 0 0 113 0, 0.0 72,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -27.1 -16.9 29.3 15.1 2 47 A E B -a 73 0A 88 70,-0.2 2,-0.5 72,-0.0 72,-0.2 -0.891 360.0-148.0-109.1 136.1 -15.3 28.9 18.5 3 48 A V - 0 0 12 70,-2.9 72,-0.4 -2,-0.4 2,-0.3 -0.879 21.8-134.1 -98.6 125.8 -12.2 26.8 19.2 4 49 A K > - 0 0 121 -2,-0.5 3,-2.0 1,-0.1 4,-0.2 -0.601 8.3-131.8 -85.4 139.4 -12.3 25.3 22.7 5 50 A A G > S+ 0 0 26 -2,-0.3 3,-2.6 1,-0.3 -1,-0.1 0.915 104.4 63.4 -55.1 -42.9 -9.1 25.6 24.7 6 51 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.501 99.7 55.7 -67.0 3.8 -9.2 21.9 25.6 7 52 A D G < S+ 0 0 63 -3,-2.0 21,-3.2 21,-0.1 2,-0.5 0.325 95.8 79.3-108.2 5.5 -8.8 21.0 21.9 8 53 A L E < -B 27 0A 13 -3,-2.6 19,-0.2 19,-0.2 17,-0.0 -0.936 63.3-159.6-120.0 128.2 -5.6 23.0 21.6 9 54 A E E -B 26 0A 72 17,-3.3 17,-2.9 -2,-0.5 708,-0.0 -0.921 20.0-124.6-112.4 139.1 -2.3 21.8 22.7 10 55 A P E -B 25 0A 54 0, 0.0 2,-0.5 0, 0.0 15,-0.1 -0.218 17.3-128.5 -73.4 165.5 0.6 24.2 23.4 11 56 A I - 0 0 28 13,-0.5 2,-0.4 11,-0.0 13,-0.1 -0.968 16.2-135.9-124.8 119.7 4.0 24.0 21.8 12 57 A X + 0 0 66 -2,-0.5 2,-0.4 10,-0.0 0, 0.0 -0.621 27.0 178.5 -82.3 124.3 7.1 24.0 23.9 13 58 A E > - 0 0 44 -2,-0.4 3,-0.7 629,-0.1 2,-0.1 -0.978 25.2-124.2-122.4 138.3 9.9 26.2 22.6 14 59 A L T 3 S+ 0 0 64 -2,-0.4 628,-0.0 1,-0.2 629,-0.0 -0.402 88.5 23.1 -67.3 147.8 13.4 26.9 24.1 15 60 A G T 3 S+ 0 0 24 -2,-0.1 -1,-0.2 1,-0.1 627,-0.1 0.487 87.3 105.3 88.6 3.3 14.4 30.5 24.7 16 61 A R S < S- 0 0 38 -3,-0.7 626,-0.1 626,-0.2 -2,-0.1 0.509 79.0-112.0-107.9 -2.6 11.1 32.2 25.0 17 62 A G - 0 0 1 624,-0.3 625,-0.2 625,-0.2 627,-0.1 0.268 36.2 -65.5 97.9 147.1 10.8 32.8 28.8 18 63 A A S S+ 0 0 4 623,-0.4 625,-0.1 625,-0.2 623,-0.1 -0.314 98.6 6.6 -63.3 152.6 8.6 31.4 31.6 19 64 A Y S S+ 0 0 2 1,-0.2 696,-0.2 696,-0.1 2,-0.1 -0.001 85.7 85.8 68.8-176.0 4.8 32.2 31.5 20 65 A G S S- 0 0 0 694,-2.0 2,-0.4 572,-0.2 -1,-0.2 -0.454 79.9 -67.3 82.3-154.7 3.0 33.9 28.6 21 66 A V - 0 0 4 -2,-0.1 2,-0.3 694,-0.1 693,-0.0 -0.999 26.5-137.1-146.6 120.9 1.6 32.2 25.6 22 67 A V - 0 0 12 -2,-0.4 554,-0.1 2,-0.1 -10,-0.0 -0.695 22.3-143.0 -78.8 141.4 3.3 30.6 22.6 23 68 A E S S+ 0 0 10 -2,-0.3 13,-2.9 552,-0.1 2,-0.4 0.178 78.5 76.2 -99.4 22.0 1.3 31.9 19.7 24 69 A K E + C 0 35A 54 11,-0.3 -13,-0.5 -13,-0.1 2,-0.3 -0.998 63.0 174.3-137.1 117.3 1.5 28.6 17.7 25 70 A X E -BC 10 34A 1 9,-3.3 9,-4.2 -2,-0.4 2,-0.6 -0.968 29.9-120.3-135.4 154.8 -0.8 25.8 18.8 26 71 A R E -BC 9 33A 104 -17,-2.9 -17,-3.3 -2,-0.3 2,-0.9 -0.823 15.6-143.4 -93.3 123.2 -1.9 22.3 17.8 27 72 A H E > -B 8 0A 42 5,-3.9 4,-2.6 -2,-0.6 5,-0.5 -0.778 22.8-160.2 -79.6 111.2 -5.5 21.7 17.1 28 73 A V T 4 S+ 0 0 75 -21,-3.2 -1,-0.2 -2,-0.9 -20,-0.1 0.912 79.4 53.6 -74.4 -44.5 -5.5 18.2 18.6 29 74 A P T 4 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.876 125.9 27.6 -58.3 -29.5 -8.6 16.6 17.0 30 75 A S T 4 S- 0 0 72 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.670 97.0-128.8-103.3 -21.4 -7.2 17.5 13.6 31 76 A G < + 0 0 46 -4,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.389 57.8 148.5 82.2 -4.0 -3.5 17.6 14.1 32 77 A Q - 0 0 86 -5,-0.5 -5,-3.9 -6,-0.1 2,-0.4 -0.446 43.4-140.3 -65.2 127.4 -3.5 21.1 12.5 33 78 A I E -C 26 0A 46 -7,-0.3 53,-0.5 -2,-0.2 2,-0.3 -0.751 30.8-173.8 -80.9 133.5 -0.8 23.6 13.8 34 79 A X E -C 25 0A 3 -9,-4.2 -9,-3.3 -2,-0.4 2,-0.3 -0.957 28.9-121.5-135.9 155.0 -2.3 27.1 14.1 35 80 A A E -CD 24 84A 3 49,-2.9 49,-2.3 -2,-0.3 2,-0.5 -0.708 25.9-160.5 -85.3 143.1 -1.4 30.6 14.8 36 81 A V E - D 0 83A 0 -13,-2.9 2,-0.4 -2,-0.3 47,-0.2 -0.988 12.1-178.2-128.9 115.0 -3.3 32.2 17.8 37 82 A K E - D 0 82A 1 45,-2.6 45,-3.2 -2,-0.5 2,-0.3 -0.969 21.6-128.5-127.1 136.5 -3.4 36.0 18.0 38 83 A R E - D 0 81A 10 -2,-0.4 122,-2.7 43,-0.3 2,-0.3 -0.580 19.3-128.5 -82.9 137.5 -4.9 38.3 20.6 39 84 A I B -F 159 0B 19 41,-2.3 41,-0.3 -2,-0.3 120,-0.3 -0.649 42.0 -98.0 -78.9 136.1 -7.3 41.1 19.6 40 85 A R > - 0 0 46 118,-3.2 3,-1.1 -2,-0.3 -1,-0.1 -0.194 21.8-127.6 -58.4 150.5 -6.1 44.4 21.2 41 86 A A T 3 S+ 0 0 54 590,-0.7 -1,-0.1 1,-0.2 591,-0.1 0.561 103.4 66.3 -70.6 -12.8 -7.7 45.5 24.5 42 87 A T T 3 + 0 0 4 589,-0.3 -1,-0.2 276,-0.1 2,-0.1 0.379 67.9 128.6 -93.9 7.7 -8.4 48.9 23.0 43 88 A V < - 0 0 16 -3,-1.1 115,-0.0 115,-0.1 274,-0.0 -0.387 50.8-137.2 -68.9 133.7 -11.0 47.8 20.2 44 89 A N > - 0 0 66 -2,-0.1 4,-2.2 274,-0.1 5,-0.1 -0.165 26.7 -97.0 -78.1-177.1 -14.2 49.8 20.2 45 90 A S H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 122.3 51.7 -71.4 -50.6 -17.8 48.4 19.8 46 91 A Q H > S+ 0 0 157 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 111.9 49.5 -43.5 -50.3 -18.1 49.1 16.0 47 92 A E H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 109.0 49.5 -66.4 -42.7 -14.8 47.3 15.6 48 93 A Q H X S+ 0 0 98 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.926 114.4 47.6 -56.5 -44.1 -15.8 44.3 17.6 49 94 A K H X S+ 0 0 143 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.894 112.9 46.8 -65.4 -38.5 -18.9 44.2 15.5 50 95 A R H X S+ 0 0 116 -4,-2.8 4,-3.1 -5,-0.2 5,-0.2 0.925 111.0 52.1 -75.2 -38.6 -17.1 44.6 12.2 51 96 A L H X S+ 0 0 14 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.910 111.0 47.7 -59.7 -46.2 -14.5 41.9 13.1 52 97 A L H X S+ 0 0 100 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.917 111.9 49.6 -56.6 -51.6 -17.2 39.4 14.0 53 98 A X H X S+ 0 0 93 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.970 117.0 41.2 -56.3 -48.8 -19.1 40.1 10.8 54 99 A D H X S+ 0 0 21 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.866 111.9 53.4 -67.9 -35.8 -15.9 39.7 8.7 55 100 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.923 114.1 45.1 -68.2 -35.6 -14.6 36.7 10.6 56 101 A D H X S+ 0 0 60 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.948 111.4 49.1 -70.6 -53.3 -17.9 35.0 10.0 57 102 A I H X>S+ 0 0 58 -4,-2.8 4,-1.6 -5,-0.2 5,-0.6 0.937 114.6 50.0 -50.8 -44.6 -18.3 36.0 6.3 58 103 A S H X5S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.948 112.5 41.7 -61.1 -54.3 -14.8 34.7 5.9 59 104 A X H <5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 120.1 43.9 -66.7 -36.6 -15.1 31.3 7.5 60 105 A R H <5S+ 0 0 163 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.733 132.5 12.8 -81.1 -17.9 -18.5 30.6 6.1 61 106 A T H <5S+ 0 0 62 -4,-1.6 2,-1.2 -5,-0.3 -3,-0.2 0.659 97.9 89.6-132.3 -25.6 -17.8 31.7 2.5 62 107 A V << + 0 0 22 -4,-2.2 2,-0.6 -5,-0.6 -1,-0.1 -0.652 38.7 157.0 -93.2 94.0 -14.2 32.3 1.7 63 108 A D + 0 0 142 -2,-1.2 3,-0.1 -3,-0.1 5,-0.1 -0.949 22.3 135.5-113.4 116.8 -12.5 29.2 0.4 64 109 A C > - 0 0 12 -2,-0.6 3,-1.7 3,-0.2 56,-0.0 -0.910 58.9-131.7-164.9 132.3 -9.4 30.0 -1.7 65 110 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 55,-0.1 0.807 110.5 49.6 -51.2 -29.7 -5.8 29.0 -2.3 66 111 A F T 3 S+ 0 0 58 83,-0.1 84,-3.2 53,-0.1 2,-0.3 0.416 99.6 73.7-101.8 4.9 -4.8 32.7 -2.2 67 112 A T B < S-g 150 0C 3 -3,-1.7 2,-0.3 82,-0.3 -3,-0.2 -0.871 85.2-107.9-115.1 151.5 -6.5 33.7 1.0 68 113 A V - 0 0 2 82,-2.7 84,-0.4 -2,-0.3 2,-0.3 -0.584 33.7-124.2 -75.2 131.5 -5.5 32.9 4.6 69 114 A T - 0 0 66 -2,-0.3 16,-2.7 82,-0.1 2,-0.4 -0.600 18.8-153.9 -75.2 132.6 -7.8 30.4 6.4 70 115 A F E - E 0 84A 8 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.917 7.5-168.9-103.9 136.5 -9.4 31.5 9.6 71 116 A Y E - 0 0 68 12,-2.7 2,-0.3 -2,-0.4 13,-0.2 0.758 46.2 -95.0 -98.5 -27.3 -10.3 28.7 12.1 72 117 A G E - E 0 83A 0 11,-1.3 11,-2.8 -69,-0.1 2,-0.4 -0.969 46.9 -57.2 143.9-159.0 -12.3 30.6 14.7 73 118 A A E -aE 2 82A 2 -72,-1.9 -70,-2.9 -2,-0.3 2,-0.4 -0.929 30.2-148.9-128.0 144.5 -11.9 32.3 18.0 74 119 A L E - E 0 81A 1 7,-3.2 7,-3.1 -2,-0.4 2,-0.6 -0.953 9.6-154.1-112.2 134.2 -10.6 31.2 21.4 75 120 A F E + E 0 80A 102 -72,-0.4 2,-0.4 -2,-0.4 -70,-0.2 -0.932 28.1 157.5-112.3 113.1 -12.0 32.8 24.6 76 121 A R E > - 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0 0 2 -2,-0.4 485,-1.8 1,-0.1 56,-0.2 -0.985 41.3-120.5-129.7 145.6 2.3 31.9 7.9 88 133 A D S S- 0 0 50 -2,-0.3 2,-0.3 483,-0.2 55,-0.2 0.920 77.5 -31.0 -60.7 -40.4 5.8 33.1 8.8 89 134 A T E -H 142 0C 19 53,-2.1 53,-2.5 483,-0.1 2,-0.3 -0.953 57.8 -97.7-161.8 177.5 5.2 36.8 8.5 90 135 A S E > -H 141 0C 2 -2,-0.3 4,-2.5 51,-0.2 3,-0.3 -0.771 39.2-113.2-108.9 162.4 3.3 39.7 6.9 91 136 A L H > S+ 0 0 0 49,-2.7 4,-2.3 46,-1.2 47,-0.2 0.731 113.5 58.2 -78.5 -22.7 4.8 41.7 4.1 92 137 A D H > S+ 0 0 25 45,-0.6 4,-1.3 48,-0.3 -1,-0.3 0.940 114.1 39.4 -64.7 -44.4 5.2 45.0 6.0 93 138 A K H > S+ 0 0 73 -3,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.873 114.5 56.8 -68.3 -37.8 7.4 43.1 8.6 94 139 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.937 105.8 45.9 -63.8 -48.8 9.1 41.2 5.8 95 140 A Y H X S+ 0 0 19 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.843 107.5 58.4 -69.9 -25.8 10.3 44.2 3.8 96 141 A K H X S+ 0 0 92 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.862 108.4 47.3 -62.4 -34.7 11.6 45.9 7.0 97 142 A Q H X S+ 0 0 40 -4,-1.4 4,-2.0 -3,-0.3 -2,-0.2 0.878 105.2 58.3 -76.0 -35.5 13.8 42.8 7.5 98 143 A V H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 -2,-0.2 0.947 109.4 45.6 -54.7 -49.2 14.8 43.0 3.9 99 144 A I H ><5S+ 0 0 67 -4,-2.0 3,-2.5 1,-0.2 -2,-0.2 0.947 105.4 58.9 -59.3 -52.1 16.1 46.5 4.6 100 145 A D H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 105.9 51.3 -46.9 -35.2 17.9 45.4 7.9 101 146 A K T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.093 116.1-115.2 -86.1 20.1 19.9 42.9 5.8 102 147 A G T < 5S+ 0 0 62 -3,-2.5 -3,-0.2 1,-0.1 2,-0.2 0.927 76.7 130.2 46.6 45.4 21.0 45.6 3.4 103 148 A Q < - 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0 0 106 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.274 54.2-100.5 -58.4 151.6 0.8 63.0 -9.5 222 275 A S - 0 0 25 20,-0.2 22,-0.1 1,-0.1 20,-0.0 -0.368 46.9 -85.0 -74.2 158.9 0.7 59.4 -8.3 223 276 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.317 45.6-153.3 -60.0 140.4 4.0 57.6 -7.4 224 277 A Q - 0 0 151 -21,-0.1 11,-0.1 -3,-0.1 15,-0.0 -0.877 15.2-119.1-114.4 152.8 6.0 56.0 -10.2 225 278 A L - 0 0 5 -2,-0.3 2,-0.5 10,-0.3 5,-0.1 -0.683 41.1-103.5 -79.6 137.9 8.4 53.1 -10.3 226 279 A P >> - 0 0 46 0, 0.0 3,-1.7 0, 0.0 4,-1.1 -0.548 26.7-149.3 -64.5 115.9 11.9 54.0 -11.5 227 280 A A T 34 S+ 0 0 77 -2,-0.5 8,-0.1 1,-0.3 7,-0.1 0.636 93.2 53.9 -64.8 -16.0 12.1 52.8 -15.2 228 281 A D T 34 S+ 0 0 141 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.532 112.8 41.5 -99.0 -9.3 15.8 52.1 -14.9 229 282 A K T <4 S+ 0 0 159 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.507 118.0 45.9-110.0 -5.8 15.6 50.0 -11.9 230 283 A F S < S- 0 0 33 -4,-1.1 -1,-0.1 -5,-0.1 -5,-0.0 -0.934 89.9 -95.5-137.8 154.1 12.5 48.0 -12.9 231 284 A S > - 0 0 36 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.279 34.3-115.6 -63.9 158.6 11.3 46.3 -16.0 232 285 A A H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.871 117.4 53.6 -61.3 -40.4 9.0 48.2 -18.4 233 286 A E H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.885 109.6 45.1 -59.9 -42.4 6.3 45.6 -17.6 234 287 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.941 115.5 48.2 -73.5 -37.8 6.5 46.2 -13.9 235 288 A V H X S+ 0 0 22 -4,-2.6 4,-2.2 1,-0.2 -10,-0.3 0.885 113.6 47.6 -66.6 -42.2 6.6 49.9 -14.4 236 289 A D H X S+ 0 0 64 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.909 111.2 49.9 -64.5 -41.4 3.7 49.8 -16.7 237 290 A F H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.926 113.2 46.8 -64.0 -41.7 1.6 47.5 -14.4 238 291 A T H X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.905 112.2 49.7 -69.2 -40.6 2.3 49.8 -11.5 239 292 A S H < S+ 0 0 36 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.893 107.5 54.7 -71.9 -32.2 1.4 52.9 -13.5 240 293 A Q H >< S+ 0 0 52 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.960 107.7 49.3 -59.0 -51.8 -1.9 51.4 -14.8 241 294 A C H 3< S+ 0 0 0 -4,-1.9 -50,-0.2 1,-0.3 -1,-0.2 0.734 111.6 51.0 -60.0 -25.9 -3.1 50.7 -11.2 242 295 A L T 3< + 0 0 1 -4,-1.0 -1,-0.3 -3,-0.2 -20,-0.2 0.019 68.0 142.1-109.8 23.0 -2.3 54.2 -10.1 243 296 A K < - 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0 0 77 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.122 27.4-159.2 -62.1 152.4 -4.7 29.5 62.6 730 228 C E S S+ 0 0 194 1,-0.2 2,-0.4 -5,-0.1 -5,-0.0 0.577 83.3 38.1 -95.9 -20.5 -4.9 30.0 66.3 731 229 C L S S- 0 0 113 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.984 95.4 -97.0-134.6 143.0 -3.6 33.5 66.2 732 230 C N 0 0 164 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.468 360.0 360.0 -59.9 114.3 -4.1 36.4 63.7 733 231 C Q 0 0 174 -2,-0.4 -1,-0.2 -7,-0.1 -7,-0.0 0.175 360.0 360.0-163.3 360.0 -1.3 36.6 61.2 734 ! 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 0.0 735 235 C S >> 0 0 90 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 151.4 7.0 32.7 59.5 736 236 C V H 3> + 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.839 360.0 71.6 -62.0 -30.5 9.8 30.8 57.8 737 237 C K H 3> S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.873 95.1 50.9 -56.3 -35.2 8.1 27.6 59.0 738 238 C S H <> S+ 0 0 11 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.921 111.2 46.7 -68.3 -44.6 5.2 28.0 56.6 739 239 C D H X S+ 0 0 4 -4,-1.0 4,-2.8 1,-0.2 5,-0.2 0.907 107.9 56.5 -62.5 -41.2 7.5 28.5 53.7 740 240 C I H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.871 105.9 52.5 -62.7 -32.3 9.5 25.5 54.7 741 241 C W H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.2 3,-0.4 0.933 109.5 47.2 -63.3 -49.0 6.3 23.5 54.6 742 242 C S H X S+ 0 0 7 -4,-1.9 4,-3.5 1,-0.3 -2,-0.2 0.899 105.8 58.8 -62.1 -40.8 5.5 24.6 51.0 743 243 C L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.3 0.865 106.7 50.9 -47.8 -38.0 9.1 23.9 50.0 744 244 C G H X S+ 0 0 0 -4,-1.1 4,-1.4 -3,-0.4 -1,-0.2 0.821 109.1 46.2 -75.1 -37.5 8.3 20.4 51.2 745 245 C I H X S+ 0 0 0 -4,-1.5 4,-2.5 -24,-0.2 -2,-0.2 0.887 112.7 54.5 -69.9 -39.0 5.1 20.1 49.1 746 246 C T H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.933 107.4 47.8 -57.8 -46.8 7.1 21.5 46.2 747 247 C X H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.857 113.6 46.9 -66.7 -37.0 9.9 18.8 46.5 748 248 C I H X S+ 0 0 2 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.973 109.7 54.3 -67.3 -51.6 7.4 15.9 46.7 749 249 C E H X>S+ 0 0 10 -4,-2.5 4,-1.7 1,-0.2 5,-0.8 0.901 112.3 43.4 -43.7 -54.3 5.4 17.3 43.7 750 250 C L H <5S+ 0 0 1 -4,-2.4 -91,-0.3 1,-0.2 -1,-0.2 0.946 113.9 52.2 -60.7 -43.8 8.5 17.4 41.5 751 251 C A H <5S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.812 121.2 29.0 -68.3 -29.8 9.6 14.0 42.7 752 252 C I H <5S- 0 0 54 -4,-2.4 -1,-0.2 2,-0.3 -2,-0.2 0.470 100.0-127.3-108.8 -4.9 6.3 12.2 42.0 753 253 C L T <5S+ 0 0 31 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.815 79.4 74.8 65.2 31.3 5.1 14.3 39.1 754 254 C R S - 0 0 70 1,-0.1 4,-2.4 3,-0.1 5,-0.2 -0.030 54.9-101.5 -61.2 167.5 -14.6 21.0 46.9 763 263 C P H > S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.910 127.2 53.4 -58.3 -37.7 -12.1 23.6 48.0 764 264 C F H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 106.9 51.2 -58.5 -44.0 -13.3 23.1 51.5 765 265 C Q H > S+ 0 0 102 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.900 110.6 48.9 -64.4 -35.8 -12.7 19.4 51.2 766 266 C Q H X S+ 0 0 26 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.903 111.7 47.3 -76.2 -34.8 -9.2 19.9 50.0 767 267 C L H X S+ 0 0 62 -4,-2.4 4,-2.1 -5,-0.2 3,-0.3 0.932 109.0 56.0 -67.7 -38.0 -8.3 22.4 52.7 768 268 C K H X S+ 0 0 100 -4,-2.4 4,-2.5 1,-0.3 5,-0.3 0.818 103.6 54.8 -60.0 -33.3 -9.7 20.0 55.3 769 269 C Q H X S+ 0 0 16 -4,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.838 108.0 49.1 -76.8 -28.6 -7.5 17.2 54.1 770 270 C V H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.895 116.3 41.2 -73.9 -38.6 -4.4 19.4 54.6 771 271 C V H < S+ 0 0 36 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.919 128.2 28.3 -73.6 -34.9 -5.4 20.4 58.1 772 272 C E H < S+ 0 0 128 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.840 106.2 64.6-101.3 -37.5 -6.6 17.0 59.2 773 273 C E S < S- 0 0 99 -4,-1.5 2,-0.0 -5,-0.3 0, 0.0 -0.335 89.8 -86.4 -86.2 164.9 -4.8 14.2 57.4 774 274 C P - 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0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.136 54.8 -99.9 -65.0 155.2 35.8 82.2 0.9 1059 275 D S - 0 0 23 20,-0.2 22,-0.0 1,-0.1 20,-0.0 -0.312 46.2 -89.7 -74.8 154.4 34.1 79.7 3.2 1060 276 D P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.367 43.8-150.3 -64.7 151.3 33.4 76.1 2.0 1061 277 D Q - 0 0 143 -21,-0.1 11,-0.1 -3,-0.1 3,-0.0 -0.921 16.9-114.7-126.6 143.7 30.0 75.4 0.3 1062 278 D L - 0 0 5 -2,-0.3 2,-0.2 10,-0.3 5,-0.1 -0.601 43.1-109.6 -71.5 131.8 27.8 72.5 -0.0 1063 279 D P >> - 0 0 53 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.495 22.8-143.0 -63.6 134.7 27.6 71.3 -3.7 1064 280 D A T 34 S+ 0 0 84 1,-0.2 8,-0.1 2,-0.2 5,-0.1 0.709 94.3 56.1 -71.2 -34.9 24.1 72.1 -5.2 1065 281 D D T 34 S+ 0 0 143 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.624 117.1 37.4 -70.8 -19.2 23.6 69.0 -7.4 1066 282 D K T <4 S+ 0 0 159 -3,-0.6 2,-0.3 1,-0.1 -2,-0.2 0.677 116.4 47.8-106.8 -27.2 24.2 66.7 -4.4 1067 283 D F S < S- 0 0 33 -4,-1.4 -1,-0.1 -5,-0.1 2,-0.0 -0.857 86.1 -97.9-120.9 156.7 22.4 68.7 -1.6 1068 284 D S >> - 0 0 27 -2,-0.3 4,-2.8 1,-0.1 3,-0.8 -0.315 32.5-114.3 -71.1 152.1 19.0 70.4 -1.2 1069 285 D A H 3> S+ 0 0 74 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.898 116.2 48.3 -50.1 -48.6 18.5 74.1 -1.6 1070 286 D E H 3> S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.792 112.1 48.5 -65.0 -27.9 17.6 74.6 2.1 1071 287 D F H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 5,-0.3 0.904 111.5 49.4 -81.7 -40.0 20.6 72.6 3.3 1072 288 D V H X S+ 0 0 24 -4,-2.8 4,-2.5 2,-0.2 -10,-0.3 0.966 116.5 44.6 -56.7 -49.0 23.0 74.5 1.0 1073 289 D D H X S+ 0 0 69 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.931 108.7 53.6 -65.4 -49.9 21.4 77.7 2.3 1074 290 D F H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.879 114.8 42.3 -48.4 -45.9 21.4 76.8 6.0 1075 291 D T H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.940 112.2 51.0 -73.5 -43.7 25.1 76.0 6.0 1076 292 D S H < S+ 0 0 30 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.824 107.9 57.1 -71.8 -23.0 26.2 78.9 3.9 1077 293 D Q H >< S+ 0 0 55 -4,-2.6 3,-1.7 -5,-0.2 -1,-0.2 0.964 106.8 46.0 -57.1 -59.6 24.3 81.0 6.3 1078 294 D C H 3< S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.769 112.4 54.2 -52.3 -31.0 26.3 79.8 9.3 1079 295 D L T 3< + 0 0 0 -4,-1.7 2,-0.3 -51,-0.1 -1,-0.3 0.074 67.8 142.2-102.9 21.1 29.5 80.2 7.3 1080 296 D K < - 0 0 90 -3,-1.7 6,-0.2 1,-0.2 5,-0.1 -0.513 53.2-137.8 -57.7 121.4 29.0 83.9 6.4 1081 297 D K S S+ 0 0 61 -2,-0.3 2,-0.6 4,-0.1 -74,-0.2 0.921 92.3 68.9 -55.7 -39.5 32.6 85.1 6.7 1082 298 D N S >> S- 0 0 77 1,-0.1 3,-1.3 -76,-0.1 4,-0.7 -0.684 79.0-150.9 -81.5 120.5 31.3 88.2 8.4 1083 299 D S T 34 S+ 0 0 28 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.735 89.1 64.7 -67.9 -26.5 29.8 87.2 11.8 1084 300 D K T 34 S+ 0 0 178 1,-0.2 -1,-0.3 -63,-0.0 -2,-0.0 0.776 102.9 51.8 -63.6 -26.0 27.2 90.0 12.0 1085 301 D E T <4 S+ 0 0 109 -3,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.691 85.8 98.9 -84.7 -25.1 25.5 88.4 9.0 1086 302 D R S < S- 0 0 1 -4,-0.7 -8,-0.2 -3,-0.3 2,-0.1 -0.366 83.2-108.9 -59.6 148.7 25.4 84.9 10.5 1087 303 D P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.430 24.1-118.1 -81.7 156.3 22.0 84.2 12.0 1088 304 D T > - 0 0 43 -2,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.213 36.4 -98.1 -74.3 176.2 21.2 84.0 15.7 1089 305 D Y H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.953 122.9 52.5 -68.8 -49.9 19.8 80.8 17.2 1090 306 D P H 4 S+ 0 0 84 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.924 111.5 50.5 -50.9 -38.5 16.1 81.8 17.1 1091 307 D E H >> S+ 0 0 106 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.871 106.7 51.6 -68.0 -36.5 16.6 82.6 13.4 1092 308 D L H >< S+ 0 0 1 -4,-1.7 3,-0.9 1,-0.3 6,-0.3 0.844 104.4 59.3 -65.6 -30.0 18.2 79.2 12.7 1093 309 D X T 3< S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.653 103.9 51.6 -76.9 -14.6 15.2 77.8 14.4 1094 310 D Q T <4 S+ 0 0 105 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.505 84.3 118.1 -90.9 -8.9 13.1 79.5 11.7 1095 311 D H S XX S- 0 0 19 -3,-0.9 4,-2.8 -4,-0.5 3,-0.7 -0.339 71.1-129.7 -67.2 138.0 15.2 78.1 8.8 1096 312 D P H 3> S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.831 108.7 56.0 -49.3 -35.8 13.3 75.9 6.4 1097 313 D F H 3> S+ 0 0 2 -27,-0.3 4,-1.3 2,-0.2 5,-0.1 0.856 113.3 42.0 -69.4 -34.0 16.0 73.1 6.8 1098 314 D F H <> S+ 0 0 2 -3,-0.7 4,-4.1 -6,-0.3 5,-0.3 0.953 115.1 46.4 -73.1 -55.0 15.5 73.1 10.5 1099 315 D T H X S+ 0 0 6 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.903 112.2 51.9 -61.0 -40.3 11.7 73.3 10.6 1100 316 D L H < S+ 0 0 19 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.2 0.954 117.7 37.3 -60.1 -49.1 11.4 70.6 8.0 1101 317 D H H >< S+ 0 0 3 -4,-1.3 3,-0.6 1,-0.2 -2,-0.2 0.853 109.7 60.3 -79.8 -28.5 13.6 68.2 9.8 1102 318 D E H 3< S+ 0 0 76 -4,-4.1 2,-0.5 1,-0.3 -1,-0.2 0.799 110.7 45.0 -59.6 -30.2 12.4 69.2 13.3 1103 319 D S T 3< S+ 0 0 48 -4,-1.3 2,-0.3 -3,-0.4 -1,-0.3 -0.644 93.8 100.0-117.7 71.9 8.9 68.0 12.1 1104 320 D K < - 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