==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-01 1JVP . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.RONDEAU . 281 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 64.8 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 . 39 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.0 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 3 1 0 1 0 0 2 0 1 0 0 0 1 0 0 1 0 0 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 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 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 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 1 P M > 0 0 42 0, 0.0 3,-1.6 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 142.1 -13.5 31.5 -2.1 2 2 P E T 3 + 0 0 143 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.438 360.0 85.4 -72.1 3.3 -12.9 30.6 -5.7 3 3 P N T 3 S+ 0 0 73 20,-0.1 21,-1.6 21,-0.1 22,-0.5 0.473 85.1 66.3 -81.8 -1.7 -11.0 33.8 -5.6 4 4 P F E < -A 23 0A 17 -3,-1.6 2,-0.6 19,-0.3 19,-0.2 -0.956 69.2-145.9-128.2 143.2 -8.0 31.8 -4.4 5 5 P Q E -A 22 0A 104 17,-2.7 17,-2.4 -2,-0.4 2,-0.6 -0.918 25.2-134.0-106.5 114.8 -5.8 29.1 -5.9 6 6 P K E +A 21 0A 120 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.573 26.5 176.2 -74.5 114.6 -4.7 26.6 -3.2 7 7 P V E - 0 0 61 13,-2.6 2,-0.3 -2,-0.6 14,-0.2 0.958 60.6 -32.0 -81.4 -57.7 -1.0 25.9 -3.5 8 8 P E E -A 20 0A 109 12,-1.4 12,-4.0 3,-0.0 2,-0.6 -0.988 60.2 -96.5-162.5 155.5 -0.4 23.6 -0.5 9 9 P K E -A 19 0A 112 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.675 30.8-176.0 -79.0 118.1 -1.6 22.8 3.0 10 10 P I E - 0 0 64 8,-1.5 2,-0.3 -2,-0.6 9,-0.2 0.231 62.4 -39.4 -98.4 14.4 0.8 24.5 5.4 11 11 P G E -A 18 0A 29 7,-0.9 7,-1.6 2,-0.0 2,-0.3 -0.923 49.9-120.2 154.6 179.6 -0.9 23.1 8.4 12 12 P E E +A 17 0A 124 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.964 20.0 176.3-157.8 137.9 -4.1 22.0 10.2 13 13 P G - 0 0 33 3,-2.6 3,-0.3 -2,-0.3 -2,-0.0 -0.621 45.3-105.8-127.4-172.8 -5.7 23.0 13.5 14 14 P T S S+ 0 0 113 -2,-0.2 3,-0.1 1,-0.2 135,-0.0 0.649 121.4 56.3 -91.6 -16.9 -8.9 22.0 15.2 15 15 P Y S S- 0 0 85 1,-0.3 21,-1.3 20,-0.1 2,-0.2 0.306 128.5 -56.5 -92.4 6.1 -10.4 25.4 14.3 16 16 P G E - B 0 35A 1 19,-0.3 -3,-2.6 -3,-0.3 2,-0.3 -0.669 57.8 -73.2 139.7 166.8 -9.6 24.7 10.7 17 17 P V E -AB 12 34A 28 17,-1.0 17,-1.8 -5,-0.2 2,-0.5 -0.749 37.7-144.5 -97.6 142.2 -7.1 23.8 8.0 18 18 P V E -AB 11 33A 30 -7,-1.6 -8,-1.5 -2,-0.3 -7,-0.9 -0.924 17.4-175.5-113.2 131.1 -4.5 26.3 6.7 19 19 P Y E -AB 9 32A 56 13,-2.9 13,-3.6 -2,-0.5 2,-0.6 -0.894 30.7-123.4-122.9 150.4 -3.3 26.5 3.1 20 20 P K E +AB 8 31A 49 -12,-4.0 -13,-2.6 -2,-0.3 -12,-1.4 -0.811 49.6 172.9 -86.5 127.3 -0.7 28.5 1.2 21 21 P A E -AB 6 30A 0 9,-2.9 9,-3.2 -2,-0.6 2,-0.5 -0.956 31.5-136.5-139.6 157.9 -2.8 30.2 -1.5 22 22 P R E -AB 5 29A 94 -17,-2.4 -17,-2.7 -2,-0.3 2,-0.9 -0.959 29.7-116.8-117.2 130.2 -2.5 32.8 -4.3 23 23 P N E >> -A 4 0A 26 5,-3.4 4,-3.0 -2,-0.5 3,-0.9 -0.514 26.0-144.7 -65.0 104.2 -5.2 35.4 -4.9 24 24 P K T 34 S+ 0 0 114 -21,-1.6 -1,-0.2 -2,-0.9 -20,-0.1 0.639 95.0 35.9 -46.0 -22.2 -6.4 34.4 -8.4 25 25 P L T 34 S+ 0 0 142 -22,-0.5 -1,-0.3 3,-0.1 -21,-0.1 0.670 128.8 30.1-108.0 -22.3 -6.9 38.0 -9.4 26 26 P T T <4 S- 0 0 89 -3,-0.9 -2,-0.2 2,-0.1 3,-0.1 0.397 90.4-133.6-117.2 -0.1 -4.1 39.8 -7.6 27 27 P G < + 0 0 44 -4,-3.0 -3,-0.1 1,-0.2 0, 0.0 0.350 53.3 150.1 64.8 -8.6 -1.4 37.1 -7.6 28 28 P E - 0 0 87 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.5 -0.240 44.0-131.2 -57.3 141.0 -0.8 37.9 -3.9 29 29 P V E +B 22 0A 48 -7,-0.2 47,-0.6 -3,-0.1 2,-0.3 -0.840 37.6 160.7-100.1 131.6 0.3 34.9 -1.8 30 30 P V E -BC 21 75A 0 -9,-3.2 -9,-2.9 -2,-0.5 2,-0.6 -0.847 45.9-104.9-141.6 175.4 -1.5 34.3 1.5 31 31 P A E -BC 20 74A 10 43,-2.7 43,-2.8 -2,-0.3 2,-0.6 -0.946 39.0-158.2-106.7 111.4 -2.2 31.8 4.2 32 32 P L E -BC 19 73A 4 -13,-3.6 -13,-2.9 -2,-0.6 2,-0.6 -0.846 8.2-170.5-100.9 118.9 -5.9 30.7 3.7 33 33 P K E -BC 18 72A 0 39,-3.0 39,-3.1 -2,-0.6 2,-0.8 -0.918 10.7-158.0-112.6 118.8 -7.7 29.3 6.7 34 34 P K E -BC 17 71A 71 -17,-1.8 -17,-1.0 -2,-0.6 37,-0.3 -0.834 27.3-129.6 -92.9 109.9 -11.1 27.6 6.2 35 35 P I E B 16 0A 11 35,-3.2 35,-0.5 -2,-0.8 -19,-0.3 -0.414 360.0 360.0 -67.2 129.4 -12.7 27.8 9.6 36 36 P R 0 0 216 -21,-1.3 -1,-0.1 -2,-0.2 -22,-0.0 -0.647 360.0 360.0 -86.8 360.0 -14.1 24.4 10.8 37 ! 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 38 44 P V 0 0 77 0, 0.0 31,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 111.5 -21.8 30.4 11.4 39 45 P P > - 0 0 80 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.212 360.0-131.6 -60.0 146.1 -22.7 32.3 14.7 40 46 P S H > S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.845 106.5 60.1 -67.7 -35.1 -22.8 36.1 14.7 41 47 P T H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 104.5 49.8 -61.2 -37.8 -20.7 36.3 17.8 42 48 P A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 111.6 49.1 -65.0 -43.0 -18.0 34.5 16.0 43 49 P I H X S+ 0 0 37 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.899 113.5 46.2 -62.2 -42.3 -18.4 36.9 13.1 44 50 P R H X S+ 0 0 144 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.907 114.0 46.5 -68.9 -43.1 -18.2 39.9 15.5 45 51 P E H X S+ 0 0 40 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.870 114.3 47.8 -67.7 -38.5 -15.2 38.7 17.5 46 52 P I H X S+ 0 0 0 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.876 108.0 56.0 -69.7 -36.0 -13.3 37.8 14.3 47 53 P S H < S+ 0 0 56 -4,-1.8 4,-0.3 -5,-0.2 3,-0.3 0.788 103.1 56.1 -65.6 -27.2 -14.2 41.2 12.9 48 54 P L H >X S+ 0 0 116 -4,-1.1 3,-1.6 1,-0.2 4,-0.7 0.877 99.2 60.3 -70.9 -37.7 -12.6 42.8 15.9 49 55 P L H 3< S+ 0 0 17 -4,-1.2 3,-0.4 1,-0.3 11,-0.3 0.736 89.1 71.9 -61.6 -25.5 -9.4 41.0 15.2 50 56 P K T 3< S+ 0 0 72 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.738 101.3 44.4 -64.6 -23.4 -9.1 42.7 11.8 51 57 P E T <4 S+ 0 0 151 -3,-1.6 2,-2.5 -4,-0.3 -1,-0.2 0.662 86.6 94.4 -93.9 -19.0 -8.2 45.9 13.7 52 58 P L < + 0 0 17 -4,-0.7 2,-0.4 -3,-0.4 -1,-0.1 -0.464 59.7 163.6 -73.7 73.2 -5.8 44.3 16.1 53 59 P N + 0 0 70 -2,-2.5 5,-0.1 6,-0.1 6,-0.1 -0.832 6.0 148.3-103.5 132.5 -2.8 45.1 13.9 54 60 P H > - 0 0 37 -2,-0.4 3,-2.3 3,-0.4 54,-0.0 -0.978 55.3-112.0-157.3 145.3 0.8 45.1 15.2 55 61 P P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.698 118.8 48.8 -54.5 -20.4 4.2 44.3 13.6 56 62 P N T 3 S+ 0 0 10 80,-0.1 81,-2.9 48,-0.1 2,-0.4 0.139 97.8 79.6-108.5 19.7 4.5 41.1 15.7 57 63 P I B < S-e 137 0B 6 -3,-2.3 -3,-0.4 79,-0.3 81,-0.2 -0.995 90.7-109.8-126.1 126.9 1.0 39.8 15.0 58 64 P V - 0 0 9 79,-3.1 2,-0.2 -2,-0.4 81,-0.1 -0.356 43.6-114.3 -56.7 126.4 0.3 37.9 11.8 59 65 P K - 0 0 90 -4,-0.1 16,-2.3 1,-0.1 2,-0.9 -0.454 15.5-143.6 -70.2 129.6 -1.9 40.3 9.8 60 66 P L E -D 74 0A 9 -11,-0.3 14,-0.3 -2,-0.2 3,-0.1 -0.847 21.6-177.0 -90.3 107.2 -5.5 39.2 9.1 61 67 P L E - 0 0 36 12,-2.0 2,-0.3 -2,-0.9 13,-0.2 0.927 58.4 -4.6 -73.5 -48.6 -6.0 40.5 5.6 62 68 P D E -D 73 0A 74 11,-1.6 11,-3.1 2,-0.0 2,-0.5 -0.985 51.4-145.0-147.6 155.6 -9.6 39.6 4.9 63 69 P V E -D 72 0A 35 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.993 19.7-161.8-122.8 117.8 -12.5 37.7 6.5 64 70 P I E +D 71 0A 26 7,-3.0 7,-1.4 -2,-0.5 2,-1.1 -0.814 14.1 176.9-110.8 94.8 -14.7 35.9 3.9 65 71 P H E +D 70 0A 86 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.789 28.9 148.4 -95.5 93.1 -18.1 34.9 5.1 66 72 P T E > +D 69 0A 48 -2,-1.1 3,-1.9 3,-0.6 -2,-0.1 -0.958 59.1 2.5-130.4 147.8 -19.6 33.4 1.9 67 73 P E T 3 S- 0 0 173 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.875 130.2 -59.5 44.4 44.6 -22.0 30.6 1.2 68 74 P N T 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.817 114.4 120.9 55.2 34.4 -22.4 30.3 5.0 69 75 P K E < - D 0 66A 82 -3,-1.9 -3,-0.6 -31,-0.0 2,-0.5 -0.805 57.2-136.0-122.3 164.6 -18.7 29.5 5.3 70 76 P L E + D 0 65A 5 -35,-0.5 -35,-3.2 -2,-0.3 2,-0.4 -0.950 23.9 170.6-129.3 114.7 -15.8 31.2 7.1 71 77 P Y E -CD 34 64A 41 -7,-1.4 -7,-3.0 -2,-0.5 2,-0.5 -0.968 16.4-156.6-121.4 135.4 -12.4 31.8 5.5 72 78 P L E -CD 33 63A 0 -39,-3.1 -39,-3.0 -2,-0.4 2,-0.7 -0.953 5.3-154.6-114.0 127.8 -9.7 33.8 7.1 73 79 P V E +CD 32 62A 0 -11,-3.1 -12,-2.0 -2,-0.5 -11,-1.6 -0.913 21.7 179.0-104.7 114.5 -7.0 35.3 4.8 74 80 P F E -CD 31 60A 23 -43,-2.8 -43,-2.7 -2,-0.7 -14,-0.2 -0.752 35.6 -94.1-114.0 160.3 -3.8 35.9 6.6 75 81 P E E -C 30 0A 49 -16,-2.3 2,-0.6 -2,-0.3 -45,-0.2 -0.416 43.5-124.1 -68.2 148.0 -0.4 37.3 5.6 76 82 P F - 0 0 45 -47,-0.6 2,-0.1 -2,-0.1 -47,-0.1 -0.873 27.3-175.1-104.0 115.8 2.0 34.5 4.6 77 83 P L - 0 0 14 -2,-0.6 53,-0.2 53,-0.1 3,-0.1 -0.352 30.4-119.3 -92.7-178.3 5.4 34.3 6.4 78 84 P H S S+ 0 0 99 51,-1.0 2,-0.3 1,-0.2 52,-0.2 0.593 80.2 14.8-106.9 -5.3 8.0 31.8 5.4 79 85 P Q E -F 129 0B 33 50,-1.2 50,-3.5 202,-0.0 2,-0.3 -0.973 59.1-134.5-164.0 147.8 8.5 29.6 8.4 80 86 P D E > -F 128 0B 30 -2,-0.3 4,-1.8 48,-0.3 3,-0.5 -0.712 33.0-113.1-101.6 157.4 7.1 28.6 11.8 81 87 P L H > S+ 0 0 0 46,-3.3 4,-2.3 43,-0.9 44,-0.2 0.764 111.6 61.4 -61.1 -29.3 9.2 28.4 15.0 82 88 P K H > S+ 0 0 81 42,-0.8 4,-2.0 45,-0.3 -1,-0.2 0.921 108.6 42.7 -64.4 -42.8 8.7 24.6 15.3 83 89 P K H > S+ 0 0 133 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.885 113.8 51.5 -69.8 -39.2 10.4 23.9 12.0 84 90 P F H X S+ 0 0 5 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.885 110.9 49.5 -65.0 -37.4 13.1 26.5 12.7 85 91 P M H < S+ 0 0 22 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.901 110.8 48.2 -68.5 -41.2 13.8 24.8 16.0 86 92 P D H >< S+ 0 0 107 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.901 112.1 50.1 -65.8 -39.4 14.0 21.4 14.5 87 93 P A H 3< S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.666 114.0 45.1 -72.4 -18.2 16.4 22.7 11.8 88 94 P S T 3X S+ 0 0 17 -4,-0.9 4,-3.3 -3,-0.3 3,-0.3 0.197 79.9 111.1-108.0 13.7 18.6 24.3 14.5 89 95 P A T <4 S+ 0 0 48 -3,-1.1 -1,-0.1 1,-0.2 -2,-0.1 0.769 71.7 56.1 -59.8 -30.5 18.6 21.3 16.8 90 96 P L T 4 S+ 0 0 170 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.896 128.7 12.2 -71.5 -42.3 22.3 20.5 16.3 91 97 P T T 4 S- 0 0 119 -3,-0.3 -2,-0.2 3,-0.0 -1,-0.1 0.685 104.4-131.7-104.2 -30.0 23.7 23.9 17.3 92 98 P G < - 0 0 8 -4,-3.3 -3,-0.1 -7,-0.1 90,-0.1 0.070 39.3 -59.0 87.8 153.3 20.6 25.4 18.8 93 99 P I - 0 0 13 88,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.488 66.2-102.1 -67.1 134.3 19.3 28.9 18.1 94 100 P P >> - 0 0 76 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.310 28.2-122.3 -58.5 138.4 21.9 31.5 18.9 95 101 P L H 3> S+ 0 0 71 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.864 110.8 55.9 -51.0 -45.9 21.1 33.3 22.2 96 102 P P H 3> S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 179,-0.4 0.865 111.1 46.2 -57.7 -32.8 21.0 36.8 20.7 97 103 P L H <> S+ 0 0 5 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.890 111.6 50.4 -74.5 -40.5 18.3 35.4 18.3 98 104 P I H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.944 113.0 47.2 -60.0 -47.6 16.4 33.7 21.1 99 105 P K H X S+ 0 0 11 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.920 111.7 50.4 -60.6 -44.4 16.5 37.0 23.0 100 106 P S H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.935 112.3 46.6 -59.4 -48.2 15.3 38.9 20.0 101 107 P Y H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.910 112.8 49.4 -61.3 -44.9 12.4 36.6 19.3 102 108 P L H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.921 111.5 49.6 -61.3 -43.8 11.4 36.6 23.0 103 109 P F H X S+ 0 0 52 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.921 112.2 47.3 -60.0 -47.7 11.5 40.4 23.1 104 110 P Q H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.890 111.3 50.0 -63.0 -43.6 9.4 40.7 20.0 105 111 P L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.867 108.6 53.1 -65.3 -36.5 6.8 38.2 21.1 106 112 P L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.837 107.6 52.3 -67.4 -31.3 6.5 40.1 24.5 107 113 P Q H X S+ 0 0 71 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.915 110.0 48.4 -68.7 -42.1 5.9 43.3 22.5 108 114 P G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.927 114.2 46.2 -62.7 -44.6 3.1 41.5 20.6 109 115 P L H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.918 108.6 54.2 -65.3 -44.3 1.6 40.2 23.8 110 116 P A H X S+ 0 0 11 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.886 111.3 48.8 -57.0 -38.0 1.9 43.6 25.6 111 117 P F H < S+ 0 0 51 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.960 115.7 39.4 -67.3 -54.0 -0.1 45.1 22.7 112 118 P C H ><>S+ 0 0 3 -4,-2.4 5,-2.6 1,-0.2 3,-1.3 0.911 115.7 52.6 -65.4 -39.4 -2.9 42.5 22.5 113 119 P H H ><5S+ 0 0 13 -4,-3.4 3,-2.0 1,-0.3 -1,-0.2 0.866 102.0 59.3 -63.6 -34.6 -3.1 42.3 26.3 114 120 P S T 3<5S+ 0 0 73 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.652 107.6 47.9 -67.8 -12.9 -3.4 46.1 26.5 115 121 P H T < 5S- 0 0 104 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.183 120.7-111.1-109.3 13.3 -6.5 45.6 24.3 116 122 P R T < 5S+ 0 0 184 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.753 74.5 135.6 63.0 27.9 -7.8 42.8 26.6 117 123 P V < - 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0 0 33 -3,-1.6 -5,-0.0 -61,-0.4 3,-0.0 -0.550 44.6-163.6 -75.5 140.6 -7.3 20.4 42.5 222 237 P K > - 0 0 101 -2,-0.2 3,-2.4 1,-0.1 -5,-0.1 -0.994 24.4-142.8-128.7 127.3 -7.1 17.2 44.6 223 238 P P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.759 102.8 68.4 -56.9 -20.9 -5.6 17.0 48.2 224 239 P S T 3 + 0 0 103 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.418 69.0 125.2 -79.2 0.3 -4.3 13.6 47.0 225 240 P F S < S- 0 0 13 -3,-2.4 -19,-0.0 1,-0.1 -4,-0.0 -0.389 71.9-108.4 -59.5 132.5 -1.9 15.2 44.5 226 241 P P - 0 0 54 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.284 29.7-124.4 -61.3 155.7 1.6 13.9 45.2 227 242 P K + 0 0 166 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.896 32.5 179.0-108.1 107.8 3.9 16.5 46.8 228 243 P W - 0 0 77 -2,-0.7 -22,-2.1 -27,-0.1 2,-0.2 -0.774 26.5-120.0-104.8 151.5 7.1 17.0 44.8 229 244 P A - 0 0 86 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.0 -0.598 32.6-104.1 -88.8 152.0 9.8 19.5 45.8 230 245 P R - 0 0 121 -26,-0.3 2,-0.3 -2,-0.2 -26,-0.2 -0.311 32.9-141.6 -71.3 158.3 10.9 22.3 43.5 231 246 P Q - 0 0 48 -28,-2.0 5,-0.1 -26,-0.0 -1,-0.0 -0.917 25.3 -91.3-124.1 150.8 14.1 22.1 41.6 232 247 P D >> - 0 0 115 -2,-0.3 3,-1.4 1,-0.2 4,-1.3 -0.280 20.1-136.9 -61.0 140.2 16.7 24.7 40.7 233 248 P F H 3> S+ 0 0 23 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.764 105.0 72.2 -66.6 -23.7 16.3 26.6 37.5 234 249 P S H 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.824 104.1 40.1 -59.6 -29.4 20.1 26.1 37.2 235 250 P K H <4 S+ 0 0 133 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.786 115.6 50.9 -87.8 -31.4 19.2 22.5 36.5 236 251 P V H < S+ 0 0 24 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.876 128.8 14.1 -76.4 -40.4 16.1 23.2 34.3 237 252 P V S >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.1 -1,-0.2 -0.578 74.2 169.2-135.8 67.4 17.7 25.7 31.8 238 253 P P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.876 71.7 54.1 -47.2 -53.4 21.5 25.3 32.4 239 254 P P T 3 S+ 0 0 95 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 0.776 88.9 97.5 -58.2 -27.2 22.8 27.4 29.4 240 255 P L S < S- 0 0 6 -3,-0.9 -3,-0.1 1,-0.1 -61,-0.0 -0.427 73.6-129.5 -69.8 133.9 20.7 30.4 30.4 241 256 P D > - 0 0 63 -2,-0.2 4,-2.5 1,-0.1 3,-0.2 -0.210 34.3 -91.7 -72.8 170.2 22.5 33.1 32.3 242 257 P E H > S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.799 123.9 54.2 -55.7 -38.2 21.1 34.6 35.6 243 258 P D H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.934 113.0 43.4 -63.6 -45.7 19.1 37.4 33.9 244 259 P G H > S+ 0 0 0 2,-0.2 4,-2.9 -3,-0.2 -2,-0.2 0.895 115.0 50.0 -66.2 -39.2 17.4 34.9 31.6 245 260 P R H X S+ 0 0 47 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.909 110.5 48.8 -65.1 -44.0 16.8 32.6 34.5 246 261 P S H X S+ 0 0 40 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.941 113.9 47.2 -61.7 -45.7 15.4 35.3 36.7 247 262 P L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.938 112.3 49.2 -61.6 -47.4 13.1 36.4 33.8 248 263 P L H >X S+ 0 0 1 -4,-2.9 4,-1.3 1,-0.2 3,-0.5 0.909 107.3 55.3 -59.8 -42.8 12.0 32.8 33.1 249 264 P S H 3< S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.879 108.5 48.2 -59.5 -36.4 11.2 32.2 36.8 250 265 P Q H >< S+ 0 0 67 -4,-1.7 10,-2.3 1,-0.2 3,-0.6 0.736 109.0 53.8 -75.3 -21.7 8.9 35.2 36.9 251 266 P M H << S+ 0 0 0 -4,-1.3 -76,-0.2 -3,-0.5 -1,-0.2 0.686 111.4 46.9 -82.2 -19.6 7.2 34.0 33.7 252 267 P L T 3< S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.058 76.0 141.0-110.4 23.2 6.5 30.6 35.3 253 268 P H < - 0 0 69 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.463 51.8-136.4 -64.9 136.6 5.2 31.8 38.7 254 269 P Y S S+ 0 0 12 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.937 88.2 72.8 -60.0 -50.7 2.3 29.5 39.8 255 270 P D S >> S- 0 0 18 -44,-0.4 3,-1.9 1,-0.2 4,-1.6 -0.572 75.9-148.5 -71.4 115.5 0.0 32.3 40.9 256 271 P P T 34 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.813 99.8 55.3 -53.5 -32.1 -1.3 34.1 37.8 257 272 P N T 34 S+ 0 0 137 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.695 109.4 45.9 -74.8 -20.4 -1.4 37.3 39.7 258 273 P K T <4 S+ 0 0 132 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.654 89.4 106.6 -93.9 -20.7 2.3 36.9 40.6 259 274 P R S < S- 0 0 14 -4,-1.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.312 81.6-104.7 -61.8 138.7 3.3 36.1 37.1 260 275 P I - 0 0 20 -10,-2.3 2,-0.1 -13,-0.2 -1,-0.1 -0.306 32.8-124.5 -64.7 146.2 5.2 38.9 35.3 261 276 P S > - 0 0 59 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.496 20.2-114.2 -86.6 164.0 3.2 40.9 32.7 262 277 P A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -152,-0.1 0.927 118.3 52.5 -62.2 -44.1 4.5 41.3 29.1 263 278 P K H > S+ 0 0 155 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.906 112.2 44.2 -58.2 -45.6 4.9 45.0 29.7 264 279 P A H >4 S+ 0 0 48 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.882 108.8 57.7 -68.7 -37.7 7.0 44.4 32.8 265 280 P A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 6,-0.2 0.865 97.0 62.8 -61.4 -33.9 9.0 41.6 31.1 266 281 P L H 3< S+ 0 0 36 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.809 103.2 49.9 -61.3 -28.3 10.1 44.1 28.4 267 282 P A T << S+ 0 0 83 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.428 83.1 122.7 -90.5 -0.1 11.9 46.1 31.1 268 283 P H S X S- 0 0 14 -3,-1.6 3,-2.0 -4,-0.3 4,-0.1 -0.323 75.1-117.7 -64.6 142.5 13.7 43.2 32.5 269 284 P P G > S+ 0 0 66 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.731 106.6 78.7 -51.5 -25.8 17.6 43.5 32.6 270 285 P F G > S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.834 93.3 49.2 -53.8 -34.8 17.8 40.5 30.2 271 286 P F G X S+ 0 0 13 -3,-2.0 3,-1.6 -6,-0.2 -1,-0.3 0.314 77.2 103.7 -91.1 10.2 16.8 42.7 27.3 272 287 P Q G < S+ 0 0 160 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.882 93.2 33.2 -58.2 -37.3 19.4 45.4 28.1 273 288 P D G < S+ 0 0 107 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 -0.007 86.9 148.4-109.3 30.3 21.6 44.1 25.3 274 289 P V < + 0 0 42 -3,-1.6 2,-0.2 -175,-0.1 -177,-0.1 -0.368 16.3 169.3 -68.1 142.1 18.8 43.0 22.9 275 290 P T - 0 0 83 -179,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.752 37.4-112.0-136.7-177.4 19.6 43.2 19.2 276 291 P K - 0 0 129 -2,-0.2 -179,-0.1 -176,-0.0 -142,-0.1 -0.642 36.4-176.2-127.4 77.5 17.9 42.0 16.0 277 292 P P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.256 28.6-113.5 -70.2 159.6 20.0 39.3 14.3 278 293 P V - 0 0 106 1,-0.0 -146,-0.1 -145,-0.0 -147,-0.1 -0.782 33.0-124.2 -93.0 133.9 19.0 37.7 11.0 279 294 P P - 0 0 10 0, 0.0 2,-1.3 0, 0.0 -145,-0.0 -0.391 16.8-115.0 -78.1 158.8 18.1 34.0 11.2 280 295 P H - 0 0 141 -2,-0.1 2,-0.3 -196,-0.1 -149,-0.0 -0.755 49.4-175.7 -91.7 89.1 19.7 31.3 9.1 281 296 P L - 0 0 35 -2,-1.3 2,-0.4 -150,-0.1 -202,-0.0 -0.641 25.8-170.8 -96.1 147.3 16.7 30.3 7.0 282 297 P R 0 0 153 -2,-0.3 -2,-0.0 1,-0.1 -195,-0.0 -0.844 360.0 360.0-135.1 92.8 16.2 27.5 4.5 283 298 P L 0 0 141 -2,-0.4 -1,-0.1 -204,-0.0 -2,-0.0 0.739 360.0 360.0-108.6 360.0 12.9 27.9 2.7