==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-AUG-11 3ZXT . COMPND 2 MOLECULE: DEATH-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.DE DIEGO,F.LEHMANN,M.WILMANNS . 1006 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 15.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 0.1 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 . 80 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 2 6 1 2 2 3 1 1 3 0 2 1 0 0 2 2 0 0 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 . 5 4 6 0 5 4 5 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 . 4 0 4 3 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 7 A E 0 0 154 0, 0.0 2,-0.7 0, 0.0 70,-0.3 0.000 360.0 360.0 360.0 143.6 85.3 16.6 25.6 2 8 A N > - 0 0 91 1,-0.1 3,-1.7 68,-0.1 4,-0.1 -0.715 360.0-168.1 -97.1 113.7 82.3 18.9 25.2 3 9 A V G >> S+ 0 0 14 -2,-0.7 4,-2.1 1,-0.3 3,-1.5 0.696 86.8 69.1 -65.9 -23.1 79.0 17.9 26.7 4 10 A D G 34 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.531 90.4 64.2 -76.9 -4.3 77.2 20.7 24.8 5 11 A D G <4 S+ 0 0 75 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.455 115.2 28.0 -87.6 -5.9 77.9 18.7 21.6 6 12 A Y T <4 S+ 0 0 48 -3,-1.5 21,-3.7 1,-0.3 22,-0.5 0.618 118.8 47.9-125.8 -28.1 75.7 15.8 22.8 7 13 A Y E < -A 26 0A 2 -4,-2.1 2,-0.5 19,-0.3 -1,-0.3 -0.945 61.9-141.5-125.7 141.5 73.1 17.3 25.1 8 14 A D E -A 25 0A 64 17,-3.8 17,-3.0 -2,-0.4 2,-0.3 -0.901 35.5-126.9 -94.6 125.6 70.7 20.2 25.0 9 15 A T E -A 24 0A 65 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.565 26.9-174.0 -83.9 133.3 70.6 21.7 28.5 10 16 A G E - 0 0 39 13,-3.6 2,-0.2 -2,-0.3 -1,-0.1 -0.029 36.2 -71.5 -98.4-154.4 67.2 22.3 30.3 11 17 A E E - 0 0 154 1,-0.1 12,-1.5 -2,-0.1 -1,-0.1 -0.730 61.5 -66.5-114.1 166.0 66.6 24.0 33.6 12 18 A E E +A 22 0A 69 -2,-0.2 10,-0.3 10,-0.2 -1,-0.1 0.063 32.5 177.1 -59.9 149.1 67.4 23.0 37.2 13 19 A L E S- 0 0 72 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.367 71.5 -6.7-120.2 -12.5 65.8 20.1 39.1 14 20 A G E -A 21 0A 29 7,-1.3 7,-1.6 2,-0.0 -1,-0.4 -0.985 54.2-149.6-172.9 167.3 67.9 20.6 42.2 15 21 A S E +A 20 0A 104 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.948 12.7 166.4-143.4 164.6 70.7 22.2 44.1 16 22 A G - 0 0 49 3,-1.1 3,-0.1 -2,-0.3 -2,-0.0 -0.808 57.5 -74.3-152.8-165.6 73.2 21.6 46.9 17 23 A Q S S+ 0 0 88 -2,-0.2 -1,-0.0 1,-0.2 3,-0.0 0.945 125.9 8.8 -66.9 -47.3 76.4 23.4 48.1 18 24 A F S S+ 0 0 162 -3,-0.1 21,-1.6 1,-0.0 2,-0.3 0.057 119.1 69.1-127.2 28.2 78.7 22.3 45.2 19 25 A A E - B 0 38A 23 19,-0.2 -3,-1.1 -3,-0.1 2,-0.4 -0.993 49.4-165.0-149.4 135.6 76.4 20.7 42.7 20 26 A V E -AB 15 37A 61 17,-1.8 17,-2.6 -2,-0.3 2,-0.6 -0.980 11.4-157.0-116.4 134.0 73.6 21.7 40.3 21 27 A V E +AB 14 36A 34 -7,-1.6 -8,-3.3 -2,-0.4 -7,-1.3 -0.955 19.9 176.4-110.7 115.0 71.4 19.1 38.8 22 28 A K E -AB 12 35A 68 13,-2.2 13,-2.6 -2,-0.6 -10,-0.2 -0.879 33.6-105.6-118.3 150.4 69.8 20.2 35.5 23 29 A K E - B 0 34A 63 -12,-1.5 -13,-3.6 -2,-0.3 2,-0.4 -0.464 39.9-169.4 -71.1 142.6 67.5 18.4 33.0 24 30 A C E -AB 9 33A 2 9,-2.4 9,-3.6 -15,-0.2 2,-0.5 -0.989 17.3-149.9-147.6 127.3 69.2 17.5 29.7 25 31 A R E -AB 8 32A 28 -17,-3.0 -17,-3.8 -2,-0.4 2,-0.5 -0.882 23.3-129.6 -99.8 124.9 68.1 16.2 26.3 26 32 A E E > -A 7 0A 19 5,-2.8 4,-2.1 -2,-0.5 -19,-0.3 -0.603 11.4-146.1 -70.8 120.6 70.4 14.0 24.4 27 33 A K T 4 S+ 0 0 82 -21,-3.7 978,-0.3 -2,-0.5 977,-0.2 0.905 92.4 47.4 -53.7 -46.8 70.8 15.3 20.9 28 34 A S T 4 S+ 0 0 27 -22,-0.5 976,-2.6 1,-0.2 -1,-0.2 0.824 125.7 21.8 -71.0 -33.8 71.2 11.8 19.2 29 35 A T T 4 S- 0 0 17 -3,-0.2 -1,-0.2 974,-0.2 -2,-0.2 0.536 88.9-127.3-114.7 -14.5 68.3 9.9 20.8 30 36 A G < + 0 0 46 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.234 64.5 136.0 81.7 -13.4 65.8 12.5 22.1 31 37 A L - 0 0 95 -6,-0.1 -5,-2.8 -5,-0.1 2,-0.3 -0.369 50.4-130.2 -68.7 147.5 65.9 10.9 25.6 32 38 A Q E +B 25 0A 109 -7,-0.2 50,-0.5 -3,-0.1 2,-0.3 -0.770 26.7 178.7-106.7 140.3 66.1 13.1 28.6 33 39 A Y E -BC 24 81A 32 -9,-3.6 -9,-2.4 -2,-0.3 2,-0.7 -0.862 32.7-111.3-134.0 167.7 68.6 12.6 31.5 34 40 A A E -BC 23 80A 10 46,-3.1 46,-2.4 -2,-0.3 2,-0.5 -0.895 31.5-154.6-101.7 110.5 69.5 14.3 34.7 35 41 A A E -BC 22 79A 1 -13,-2.6 -13,-2.2 -2,-0.7 2,-0.7 -0.757 2.1-158.1 -91.8 124.0 72.9 16.0 34.5 36 42 A K E -BC 21 78A 27 42,-3.2 42,-2.7 -2,-0.5 2,-0.8 -0.887 3.5-163.8-103.0 106.0 74.8 16.4 37.8 37 43 A F E -BC 20 77A 35 -17,-2.6 -17,-1.8 -2,-0.7 2,-0.7 -0.834 5.6-170.0 -90.0 107.1 77.5 19.2 37.5 38 44 A I E -BC 19 76A 20 38,-2.4 38,-3.0 -2,-0.8 2,-0.3 -0.914 18.2-137.8-101.3 107.7 79.8 18.7 40.4 39 45 A K E - C 0 75A 55 -21,-1.6 36,-0.3 -2,-0.7 2,-0.2 -0.508 22.6-133.8 -62.4 121.7 82.2 21.8 40.7 40 46 A K - 0 0 56 34,-1.0 2,-0.3 -2,-0.3 -1,-0.1 -0.575 18.1-108.3 -80.9 143.2 85.7 20.4 41.4 41 47 A R - 0 0 78 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.580 23.0-146.3 -64.8 128.5 87.9 22.0 44.2 42 48 A R 0 0 111 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.277 360.0 360.0 -85.1 9.8 90.7 23.9 42.4 43 49 A T 0 0 143 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.685 360.0 360.0-166.3 360.0 93.3 23.1 45.1 44 ! 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 45 58 A R 0 0 84 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.4 87.7 15.4 44.7 46 59 A E > + 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.1 -0.381 360.0 79.0 101.9 -40.9 88.5 11.7 44.4 47 60 A D H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 5,-0.0 0.658 88.7 56.4 -60.4 -25.1 85.2 11.8 46.4 48 61 A I H > S+ 0 0 27 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.871 105.6 45.9 -78.4 -39.0 84.0 12.3 42.8 49 62 A E H > S+ 0 0 129 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.864 110.3 55.6 -69.1 -33.2 85.7 9.1 41.5 50 63 A R H X S+ 0 0 79 -4,-2.2 4,-1.9 1,-0.2 5,-0.3 0.970 109.4 46.5 -56.4 -51.6 84.2 7.3 44.5 51 64 A E H X S+ 0 0 17 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.884 115.7 45.6 -60.1 -39.9 80.8 8.5 43.5 52 65 A V H X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.920 109.1 52.2 -72.9 -44.9 81.3 7.5 39.9 53 66 A S H X S+ 0 0 69 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.871 114.2 44.5 -64.0 -36.9 82.8 4.1 40.4 54 67 A I H X S+ 0 0 4 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.900 111.8 50.6 -71.1 -45.8 79.9 3.1 42.7 55 68 A L H < S+ 0 0 5 -4,-2.2 11,-0.5 -5,-0.3 -2,-0.2 0.911 110.7 53.3 -57.4 -36.7 77.3 4.5 40.4 56 69 A K H < S+ 0 0 150 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.876 108.5 48.8 -66.9 -39.6 79.0 2.5 37.6 57 70 A E H < S+ 0 0 89 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.853 97.8 81.9 -68.2 -34.0 78.8 -0.8 39.5 58 71 A I < + 0 0 6 -4,-1.8 8,-0.3 6,-0.1 2,-0.2 -0.471 40.6 165.7 -90.3 144.2 75.1 -0.7 40.5 59 72 A Q + 0 0 163 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.800 21.2 133.4-150.2 112.2 72.0 -1.6 38.6 60 73 A H > - 0 0 42 3,-0.5 3,-2.5 -2,-0.2 53,-0.0 -0.985 61.5-114.9-156.5 142.5 68.6 -2.1 40.3 61 74 A P T 3 S+ 0 0 93 0, 0.0 52,-0.1 0, 0.0 48,-0.0 0.700 117.1 50.5 -52.2 -18.6 65.1 -0.9 39.6 62 75 A N T 3 S+ 0 0 17 83,-0.1 84,-3.5 50,-0.1 2,-0.3 0.224 102.9 67.0-112.7 12.9 65.3 1.1 42.8 63 76 A V B < S-e 146 0B 2 -3,-2.5 -3,-0.5 82,-0.3 84,-0.2 -0.980 85.4-105.5-134.5 153.8 68.5 2.9 42.2 64 77 A I - 0 0 7 82,-1.7 2,-0.3 -2,-0.3 -6,-0.1 -0.393 31.8-139.6 -76.8 143.1 69.5 5.5 39.7 65 78 A T - 0 0 35 -2,-0.1 16,-3.4 17,-0.1 2,-0.3 -0.763 9.7-129.7-103.0 152.8 71.8 4.4 36.8 66 79 A L E -D 80 0A 32 -11,-0.5 14,-0.2 -8,-0.3 3,-0.1 -0.672 20.2-177.2 -96.8 153.9 74.7 6.4 35.3 67 80 A H E - 0 0 73 12,-2.7 2,-0.3 1,-0.6 13,-0.2 0.719 59.8 -22.6-120.3 -44.8 74.8 7.0 31.6 68 81 A E E -D 79 0A 69 11,-1.1 11,-1.8 2,-0.0 -1,-0.6 -0.937 54.9-132.8-159.6 173.2 78.0 8.9 30.8 69 82 A V E -D 78 0A 62 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 18.9-172.4-142.5 130.4 80.5 11.1 32.5 70 83 A Y E -D 77 0A 24 7,-3.5 7,-4.3 -2,-0.4 2,-0.4 -0.919 9.5-157.4-128.6 154.0 82.0 14.4 31.3 71 84 A E E +D 76 0A 122 -2,-0.3 5,-0.2 -70,-0.3 2,-0.2 -0.990 14.2 170.2-129.6 125.7 84.7 16.8 32.5 72 85 A N - 0 0 78 3,-2.5 -70,-0.0 -2,-0.4 5,-0.0 -0.444 56.3 -73.5-111.0-164.8 85.1 20.5 31.7 73 86 A K S S+ 0 0 92 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.911 123.1 3.0 -58.1 -45.6 87.5 23.2 33.1 74 87 A T S S+ 0 0 98 1,-0.1 -34,-1.0 -35,-0.0 2,-0.4 0.302 121.7 57.3-133.6 6.1 85.7 23.5 36.5 75 88 A D E -C 39 0A 13 -36,-0.3 -3,-2.5 -56,-0.0 2,-0.5 -0.992 61.0-146.5-136.7 144.6 82.9 21.1 36.7 76 89 A V E -CD 38 71A 10 -38,-3.0 -38,-2.4 -2,-0.4 2,-0.4 -0.976 28.5-144.6-110.6 121.5 82.8 17.2 36.4 77 90 A I E -CD 37 70A 2 -7,-4.3 -7,-3.5 -2,-0.5 2,-0.6 -0.754 14.9-164.6-106.8 131.3 79.5 16.2 34.8 78 91 A L E -CD 36 69A 0 -42,-2.7 -42,-3.2 -2,-0.4 2,-0.7 -0.921 8.5-155.4-115.8 110.1 77.4 13.1 35.5 79 92 A I E +CD 35 68A 0 -11,-1.8 -12,-2.7 -2,-0.6 -11,-1.1 -0.758 31.1 179.1 -81.8 115.5 74.7 12.2 33.1 80 93 A L E -CD 34 66A 19 -46,-2.4 -46,-3.1 -2,-0.7 -14,-0.2 -0.853 38.0 -79.3-124.9 154.3 72.2 10.2 35.2 81 94 A E E -C 33 0A 66 -16,-3.4 2,-0.2 -2,-0.3 -48,-0.1 -0.228 54.3-122.8 -42.7 126.5 69.0 8.4 34.9 82 95 A L - 0 0 41 -50,-0.5 2,-0.4 -58,-0.1 -17,-0.1 -0.500 22.5-164.0 -71.7 142.8 66.2 11.0 35.0 83 96 A V - 0 0 17 -2,-0.2 3,-0.4 1,-0.1 52,-0.1 -0.947 5.4-175.1-131.0 121.8 63.6 10.7 37.6 84 97 A A + 0 0 72 51,-0.4 51,-0.2 -2,-0.4 52,-0.1 0.631 63.7 76.3 -96.0 -15.9 60.5 12.8 37.0 85 98 A G S S- 0 0 16 49,-2.3 -1,-0.2 1,-0.2 50,-0.2 0.258 91.1-130.2 -82.3 15.6 58.1 12.5 40.1 86 99 A G - 0 0 26 -3,-0.4 48,-3.4 48,-0.3 2,-0.2 0.000 47.8 -28.2 60.3-171.2 60.2 14.8 42.3 87 100 A E B >> -F 133 0B 43 46,-0.2 4,-2.1 1,-0.1 3,-1.5 -0.509 41.3-133.5 -77.8 137.2 61.4 14.0 45.8 88 101 A L H 3> S+ 0 0 0 44,-2.7 4,-3.7 41,-0.5 5,-0.2 0.884 113.5 66.9 -48.9 -39.4 59.6 11.8 48.3 89 102 A F H 3> S+ 0 0 111 40,-1.0 4,-1.1 43,-0.5 -1,-0.3 0.874 104.1 41.4 -41.1 -46.0 60.3 14.8 50.5 90 103 A D H <> S+ 0 0 86 -3,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.845 114.2 49.1 -79.0 -37.7 57.9 16.8 48.3 91 104 A F H X S+ 0 0 57 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.894 111.2 53.6 -62.5 -41.5 55.3 14.0 48.0 92 105 A L H < S+ 0 0 23 -4,-3.7 -2,-0.2 -5,-0.3 -1,-0.2 0.796 109.1 48.6 -61.2 -32.8 55.8 13.9 51.8 93 106 A A H < S+ 0 0 71 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.938 112.9 44.3 -73.8 -45.6 55.0 17.6 52.0 94 107 A E H < S+ 0 0 96 -4,-2.4 2,-0.3 2,-0.1 -2,-0.2 0.960 118.6 47.2 -65.9 -48.9 51.8 17.6 49.9 95 108 A K S < S- 0 0 32 -4,-2.7 3,-0.1 -5,-0.2 0, 0.0 -0.705 87.7-149.4 -75.7 141.7 50.7 14.5 51.7 96 109 A E S S- 0 0 82 1,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.850 71.2 -25.4 -87.6 -35.2 51.3 15.6 55.4 97 110 A S S S- 0 0 55 -3,-0.1 -1,-0.3 90,-0.1 2,-0.3 -0.887 72.7-106.9-152.2-172.4 51.9 11.9 56.4 98 111 A L - 0 0 16 88,-1.8 2,-0.1 -2,-0.2 -6,-0.0 -0.899 20.1-115.5-122.4 149.8 51.0 8.4 55.2 99 112 A T > - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.373 43.1-105.2 -65.5 165.1 48.7 5.5 56.2 100 113 A E H > S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.905 119.9 59.1 -63.8 -36.7 50.6 2.4 57.2 101 114 A E H > S+ 0 0 150 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.865 111.2 40.1 -62.4 -38.8 49.6 0.7 53.9 102 115 A E H > S+ 0 0 71 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.872 113.5 53.2 -75.2 -41.6 51.3 3.5 51.8 103 116 A A H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 3,-0.2 0.931 109.3 50.5 -58.4 -45.3 54.3 3.8 54.0 104 117 A T H X S+ 0 0 23 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.902 108.6 51.3 -62.9 -39.7 54.8 0.1 53.7 105 118 A E H X S+ 0 0 59 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.2 0.782 115.6 40.8 -75.1 -23.5 54.6 0.2 49.9 106 119 A F H >X S+ 0 0 4 -4,-1.9 4,-2.2 -3,-0.2 3,-0.6 0.909 116.4 51.7 -72.1 -49.9 57.2 3.0 49.7 107 120 A L H 3X S+ 0 0 0 -4,-3.4 4,-3.0 1,-0.3 5,-0.2 0.851 102.1 58.9 -60.3 -39.1 59.2 1.3 52.4 108 121 A K H 3X S+ 0 0 98 -4,-3.3 4,-2.2 1,-0.2 -1,-0.3 0.928 108.7 45.9 -52.4 -45.6 59.2 -2.0 50.5 109 122 A Q H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 3,-0.7 0.972 109.8 53.1 -61.8 -54.1 63.5 1.4 49.6 111 124 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.892 108.8 51.1 -42.4 -47.6 64.3 -1.8 51.6 112 125 A N H 3X S+ 0 0 68 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.832 108.1 50.9 -62.7 -37.8 64.9 -3.6 48.2 113 126 A G H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.3 3,-1.2 0.869 110.4 51.8 -50.9 -48.9 73.4 -2.3 47.8 118 131 A H H ><5S+ 0 0 16 -4,-3.3 3,-1.2 1,-0.3 -1,-0.3 0.769 100.9 63.0 -65.4 -22.7 74.3 -4.1 51.0 119 132 A S H 3<5S+ 0 0 68 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.738 105.8 45.5 -73.5 -16.5 74.8 -7.2 49.0 120 133 A L T <<5S- 0 0 47 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.172 120.3-109.3-105.5 17.2 77.6 -5.4 47.2 121 134 A Q T < 5S+ 0 0 98 -3,-1.2 34,-3.0 1,-0.2 2,-0.5 0.650 72.2 146.2 55.6 23.0 79.1 -4.1 50.5 122 135 A I E < -H 154 0C 0 -5,-2.6 2,-0.5 32,-0.2 32,-0.2 -0.757 33.4-164.2 -88.6 127.6 77.9 -0.6 49.5 123 136 A A E -H 153 0C 0 30,-3.3 30,-2.3 -2,-0.5 28,-0.2 -0.958 7.7-160.0-108.4 131.9 76.8 1.7 52.3 124 137 A H - 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0 0 43 -2,-1.2 2,-0.3 20,-0.1 -17,-0.1 -0.861 33.5-170.7-118.8 159.2 103.0 5.8 81.8 472 235 B E - 0 0 70 -2,-0.3 2,-1.0 -19,-0.2 -2,-0.0 -0.971 31.8-116.8-140.9 153.6 105.3 7.1 84.5 473 236 B F - 0 0 48 -2,-0.3 2,-0.1 4,-0.0 -2,-0.0 -0.817 40.9-146.0 -91.6 100.7 108.9 8.5 84.4 474 237 B E >> - 0 0 41 -2,-1.0 4,-3.1 1,-0.1 3,-1.4 -0.436 12.4-137.5 -73.7 136.9 110.6 5.9 86.6 475 238 B D T 34 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.916 104.1 68.0 -59.3 -40.7 113.4 7.1 88.8 476 239 B E T 34 S+ 0 0 90 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.787 118.8 19.7 -43.5 -34.3 115.3 3.9 87.7 477 240 B Y T <4 S+ 0 0 140 -3,-1.4 2,-0.3 1,-0.1 -2,-0.2 0.748 113.2 70.7-110.7 -34.8 115.5 5.5 84.2 478 241 B F < 0 0 38 -4,-3.1 -1,-0.1 -29,-0.0 -5,-0.0 -0.698 360.0 360.0-102.1 141.8 115.0 9.2 84.4 479 242 B S 0 0 170 -2,-0.3 -3,-0.0 -3,-0.0 -4,-0.0 -0.935 360.0 360.0 148.6 360.0 117.3 12.0 85.8 480 ! 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 0.0 481 246 B A 0 0 95 0, 0.0 4,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -33.9 114.3 17.8 82.2 482 247 B L > + 0 0 48 2,-0.2 4,-1.6 1,-0.1 27,-0.2 0.585 360.0 74.3 -84.1 -16.6 112.8 19.6 79.2 483 248 B A H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.917 94.9 48.3 -52.9 -47.3 113.0 16.1 77.6 484 249 B K H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.747 105.4 56.2 -75.8 -24.3 109.9 15.0 79.8 485 250 B D H > S+ 0 0 82 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.908 106.5 52.8 -67.1 -40.9 107.9 18.1 78.9 486 251 B F H < S+ 0 0 0 -4,-1.6 -2,-0.2 2,-0.2 13,-0.1 0.941 111.9 43.0 -57.7 -56.0 108.3 17.2 75.2 487 252 B I H >X S+ 0 0 6 -4,-1.7 4,-3.2 1,-0.2 3,-1.4 0.894 113.9 53.3 -54.8 -43.6 107.0 13.6 75.7 488 253 B R H 3< S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.898 103.1 54.1 -66.1 -41.0 104.2 14.8 78.0 489 254 B R T 3< S+ 0 0 37 -4,-2.5 10,-1.6 1,-0.2 -1,-0.3 0.264 118.8 39.2 -79.0 17.4 102.8 17.3 75.5 490 255 B L T <4 S+ 0 0 0 -3,-1.4 2,-2.6 8,-0.2 -2,-0.2 0.606 97.0 71.2-128.0 -51.0 102.6 14.4 73.0 491 256 B L S < S+ 0 0 3 -4,-3.2 2,-0.4 -50,-0.1 -20,-0.1 -0.376 75.3 138.0 -70.4 67.0 101.5 11.3 75.0 492 257 B V - 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