==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAY-10 3MVL . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 678 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 44 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 2 5 2 1 2 0 1 0 1 3 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 4 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 5 A R 0 0 159 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 130.7 -25.3 -3.0 25.5 2 6 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.352 360.0 -81.7-101.6-178.1 -25.2 -4.7 29.0 3 7 A T - 0 0 87 -2,-0.1 15,-3.1 1,-0.0 16,-0.2 -0.705 53.9-155.7 -77.6 125.4 -26.9 -4.4 32.4 4 8 A F E -A 17 0A 38 -2,-0.4 2,-0.3 13,-0.3 11,-0.0 -0.580 12.0-164.0-101.1 167.6 -25.0 -1.6 34.3 5 9 A Y E -A 16 0A 69 11,-0.8 11,-1.9 -2,-0.2 2,-0.5 -0.970 12.4-139.0-153.9 142.2 -24.6 -0.7 38.0 6 10 A R E +A 15 0A 143 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.917 31.2 157.7-109.0 116.7 -23.4 2.4 39.9 7 11 A Q E -A 14 0A 54 7,-2.1 7,-3.7 -2,-0.5 2,-0.4 -0.859 32.6-123.9-133.9 166.9 -21.1 2.1 43.0 8 12 A E E -A 13 0A 119 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.934 19.5-179.7-118.0 137.4 -18.6 4.3 45.0 9 13 A L S S- 0 0 20 3,-2.3 15,-0.1 -2,-0.4 -2,-0.0 -0.764 70.0 -29.4-143.0 91.6 -14.9 3.5 45.7 10 14 A N S S- 0 0 125 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.976 126.5 -34.4 64.6 67.4 -12.8 6.0 47.8 11 15 A K S S+ 0 0 215 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.576 121.6 95.0 67.4 19.0 -14.4 9.5 47.1 12 16 A T S S- 0 0 43 2,-0.0 -3,-2.3 0, 0.0 2,-0.4 -0.994 72.1-121.0-140.5 145.4 -15.3 8.5 43.4 13 17 A I E -A 8 0A 68 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.713 21.8-165.5 -85.6 130.7 -18.3 7.1 41.3 14 18 A W E -A 7 0A 3 -7,-3.7 -7,-2.1 -2,-0.4 2,-0.8 -0.922 4.5-172.9-122.2 99.0 -17.6 3.8 39.4 15 19 A E E +A 6 0A 60 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.831 25.5 157.9 -90.2 95.5 -20.4 3.0 36.7 16 20 A V E -A 5 0A 2 -11,-1.9 -11,-0.8 -2,-0.8 -2,-0.1 -0.956 40.2 -96.6-127.3 145.3 -19.4 -0.6 35.6 17 21 A P E > -A 4 0A 4 0, 0.0 3,-1.1 0, 0.0 -13,-0.3 0.001 38.6-100.4 -58.1 165.3 -21.4 -3.5 33.8 18 22 A E T 3 S+ 0 0 113 -15,-3.1 -14,-0.1 1,-0.2 -2,-0.0 0.759 117.8 62.0 -49.3 -38.8 -23.1 -6.6 35.6 19 23 A R T 3 S+ 0 0 44 -16,-0.2 2,-1.1 1,-0.1 -1,-0.2 0.794 82.7 83.8 -62.6 -36.7 -20.1 -8.8 34.6 20 24 A Y < + 0 0 2 -3,-1.1 2,-0.3 19,-0.1 19,-0.2 -0.627 65.7 178.8 -79.2 94.9 -17.4 -6.9 36.6 21 25 A Q B +B 38 0B 85 17,-2.2 17,-3.3 -2,-1.1 -2,-0.0 -0.768 44.2 15.8-103.6 149.9 -17.8 -8.3 40.1 22 26 A N - 0 0 134 -2,-0.3 16,-0.7 15,-0.2 2,-0.3 0.781 68.5-162.4 57.2 120.5 -15.8 -7.4 43.3 23 27 A L + 0 0 26 14,-0.2 14,-0.2 -3,-0.0 -1,-0.1 -0.903 14.9 167.7-127.4 157.6 -13.8 -4.2 43.0 24 28 A S - 0 0 63 -2,-0.3 12,-2.4 12,-0.3 2,-0.8 -0.762 39.7-113.6-171.1 129.3 -10.8 -2.8 45.1 25 29 A P B +C 35 0B 45 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.490 35.6 176.0 -69.4 105.5 -8.3 0.1 44.8 26 30 A V - 0 0 89 -2,-0.8 2,-0.3 8,-0.5 9,-0.1 0.725 51.3 -58.3 -83.0 -25.8 -5.0 -1.8 44.4 27 31 A G S S- 0 0 45 7,-0.4 2,-0.8 2,-0.0 7,-0.7 -0.988 71.4 -40.0 170.6-168.3 -2.6 1.2 43.8 28 32 A S - 0 0 138 -2,-0.3 2,-0.3 5,-0.1 5,-0.1 -0.789 52.9-178.7 -94.6 102.0 -1.6 4.3 41.9 29 33 A G - 0 0 21 -2,-0.8 122,-0.0 3,-0.4 -2,-0.0 -0.738 39.1 -87.8 -99.1 145.9 -2.0 3.8 38.1 30 34 A A S S+ 0 0 32 -2,-0.3 134,-0.1 1,-0.1 -1,-0.1 -0.295 104.0 5.3 -57.0 128.9 -1.2 6.4 35.4 31 35 A Y S S- 0 0 64 20,-0.1 -1,-0.1 -3,-0.0 2,-0.1 0.978 127.8 -13.4 57.4 93.6 -4.1 8.8 34.7 32 36 A G S S- 0 0 20 19,-0.2 -3,-0.4 17,-0.1 2,-0.4 -0.346 97.8 -46.6 87.7-168.8 -7.0 8.0 37.1 33 37 A S E - D 0 50B 48 17,-1.2 17,-3.2 -5,-0.1 2,-0.3 -0.855 44.0-145.9-110.7 142.8 -7.6 5.1 39.5 34 38 A V E - D 0 49B 27 -7,-0.7 -8,-0.5 -2,-0.4 -7,-0.4 -0.726 10.6-157.1-103.8 149.5 -7.3 1.4 38.8 35 39 A C E -CD 25 48B 0 13,-2.7 13,-2.6 -2,-0.3 2,-0.5 -0.995 17.3-131.0-131.2 139.4 -9.5 -1.4 40.4 36 40 A A E + D 0 47B 5 -12,-2.4 -12,-0.3 -2,-0.4 2,-0.3 -0.749 41.9 172.5 -84.2 121.6 -8.9 -5.1 40.9 37 41 A A E - D 0 46B 0 9,-2.7 9,-1.8 -2,-0.5 2,-0.5 -0.921 33.7-129.5-134.6 158.6 -12.0 -6.9 39.5 38 42 A F E -BD 21 45B 91 -17,-3.3 -17,-2.2 -16,-0.7 7,-0.2 -0.960 28.4-149.0-114.1 112.5 -13.2 -10.5 38.8 39 43 A D - 0 0 2 5,-2.2 -19,-0.1 -2,-0.5 -20,-0.0 -0.086 14.5-170.0 -70.5 171.1 -14.7 -11.1 35.3 40 44 A T S S+ 0 0 74 3,-0.2 -1,-0.1 2,-0.0 -20,-0.1 0.614 78.0 59.8-128.5 -60.9 -17.5 -13.5 34.2 41 45 A K S S+ 0 0 149 1,-0.2 -2,-0.0 2,-0.1 -22,-0.0 0.564 137.9 11.2 -53.0 -10.4 -17.9 -13.8 30.3 42 46 A T S S- 0 0 59 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.411 102.3-141.8-131.2 -34.9 -14.2 -15.0 30.5 43 47 A G + 0 0 34 1,-0.2 2,-0.2 -24,-0.1 -3,-0.2 0.927 49.4 130.7 65.0 55.2 -14.1 -15.4 34.3 44 48 A L - 0 0 77 -7,-0.0 -5,-2.2 0, 0.0 2,-0.8 -0.568 66.0 -91.8-119.7-177.2 -10.6 -14.1 35.1 45 49 A R E +D 38 0B 113 -7,-0.2 59,-3.6 -2,-0.2 -7,-0.2 -0.860 55.6 179.0-105.6 99.5 -8.9 -11.6 37.6 46 50 A V E -DE 37 103B 0 -9,-1.8 -9,-2.7 -2,-0.8 2,-0.4 -0.444 29.9-130.9 -97.7 170.9 -8.6 -8.2 35.8 47 51 A A E -DE 36 102B 14 55,-4.1 55,-1.9 -11,-0.2 2,-0.4 -0.964 21.3-162.4-119.7 129.4 -7.4 -4.6 36.3 48 52 A V E -DE 35 101B 1 -13,-2.6 -13,-2.7 -2,-0.4 2,-0.5 -0.989 1.8-158.5-120.7 123.3 -9.8 -1.7 35.5 49 53 A K E -DE 34 100B 19 51,-2.6 51,-1.9 -2,-0.4 2,-0.6 -0.901 1.4-160.1-106.0 121.8 -8.6 1.9 35.0 50 54 A K E -DE 33 99B 33 -17,-3.2 -17,-1.2 -2,-0.5 49,-0.2 -0.918 24.5-129.8 -97.7 120.0 -11.0 4.8 35.3 51 55 A L - 0 0 10 47,-2.1 2,-0.6 -2,-0.6 47,-0.3 -0.467 15.3-119.4 -73.1 142.0 -9.6 7.8 33.6 52 56 A S S S- 0 0 49 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 -0.749 82.8 -35.9 -82.6 112.9 -9.5 11.2 35.5 53 57 A R S > S- 0 0 159 -2,-0.6 3,-2.0 1,-0.2 4,-0.3 0.806 74.9-168.0 41.9 50.1 -11.5 13.7 33.5 54 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 9,-0.2 0.580 80.8 26.8 -45.5 -18.6 -10.4 12.2 30.1 55 59 A F T 3 S+ 0 0 10 41,-0.3 6,-0.1 5,-0.1 270,-0.1 0.273 85.1 106.6-128.5 7.5 -11.8 15.2 28.0 56 60 A Q S < S+ 0 0 145 -3,-2.0 2,-0.3 40,-0.1 -3,-0.1 0.652 90.9 22.1 -62.1 -16.4 -11.7 18.1 30.5 57 61 A S S > S- 0 0 36 -4,-0.3 4,-2.8 1,-0.1 5,-0.1 -0.924 78.5-112.4-146.8 166.3 -8.7 19.5 28.5 58 62 A I H > S+ 0 0 93 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.858 122.4 49.4 -70.8 -32.2 -6.9 19.4 25.1 59 63 A I H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.1 3,-0.3 0.999 114.2 43.0 -66.2 -61.1 -4.0 17.5 26.9 60 64 A H H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.853 115.3 50.8 -51.0 -44.0 -6.4 15.0 28.5 61 65 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.907 112.6 44.3 -64.4 -42.4 -8.4 14.6 25.2 62 66 A K H X S+ 0 0 46 -4,-2.1 4,-1.1 -3,-0.3 -1,-0.2 0.713 117.5 48.0 -72.4 -22.0 -5.2 13.9 23.1 63 67 A R H X S+ 0 0 54 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.734 107.5 53.0 -90.3 -24.3 -4.0 11.5 25.9 64 68 A T H X S+ 0 0 5 -4,-2.2 4,-1.7 -10,-0.4 -2,-0.2 0.973 113.7 44.0 -68.3 -56.1 -7.3 9.6 26.3 65 69 A Y H X S+ 0 0 12 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.874 110.2 57.4 -53.7 -48.3 -7.3 8.9 22.5 66 70 A R H X S+ 0 0 16 -4,-1.1 4,-1.2 2,-0.2 3,-0.5 0.906 109.4 42.3 -47.8 -61.1 -3.5 8.0 22.5 67 71 A E H >X S+ 0 0 16 -4,-1.5 4,-2.1 2,-0.2 3,-1.6 0.965 109.1 55.6 -55.5 -62.8 -3.7 5.2 25.1 68 72 A L H 3< S+ 0 0 1 -4,-1.7 4,-0.3 1,-0.3 -1,-0.2 0.725 112.5 47.3 -42.6 -31.1 -6.9 3.5 23.8 69 73 A R H 3< S+ 0 0 35 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.725 108.0 52.9 -84.7 -31.8 -5.0 3.3 20.4 70 74 A L H XX S+ 0 0 4 -3,-1.6 4,-1.5 -4,-1.2 3,-1.2 0.947 113.6 43.4 -69.6 -45.1 -1.8 1.8 21.9 71 75 A L T 3< S+ 0 0 20 -4,-2.1 11,-0.4 1,-0.3 -2,-0.2 0.597 106.5 60.3 -75.0 -17.5 -3.7 -1.0 23.6 72 76 A K T 34 S+ 0 0 47 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.416 116.8 35.1 -88.2 0.5 -5.9 -1.7 20.5 73 77 A H T <4 S+ 0 0 30 -3,-1.2 2,-1.5 -4,-0.1 235,-0.3 0.597 89.5 97.6-122.0 -31.5 -2.5 -2.5 18.7 74 78 A M < + 0 0 4 -4,-1.5 2,-0.8 6,-0.2 8,-0.1 -0.510 37.5 159.9 -74.0 83.7 -0.3 -4.1 21.4 75 79 A K + 0 0 157 -2,-1.5 2,-0.3 6,-0.1 -1,-0.1 -0.674 31.1 112.3-107.3 78.5 -0.6 -7.9 20.7 76 80 A H > - 0 0 13 -2,-0.8 3,-2.3 3,-0.4 -2,-0.0 -0.948 69.3-121.8-150.1 129.5 2.6 -9.4 22.5 77 81 A E T 3 S+ 0 0 98 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.691 112.2 41.0 -35.2 -51.7 2.8 -11.7 25.6 78 82 A N T 3 S+ 0 0 7 83,-0.1 84,-1.1 51,-0.1 2,-0.4 0.024 104.8 84.0 -91.1 19.9 5.1 -9.3 27.7 79 83 A V B < S-g 162 0C 2 -3,-2.3 -3,-0.4 82,-0.2 84,-0.1 -0.993 90.9-101.2-128.6 130.0 3.2 -6.1 26.6 80 84 A I - 0 0 12 82,-1.5 -6,-0.2 -2,-0.4 2,-0.1 -0.272 43.6-162.2 -55.8 125.5 -0.0 -4.8 28.2 81 85 A G - 0 0 20 -4,-0.1 2,-0.5 -6,-0.1 -9,-0.1 -0.352 18.6-112.5 -99.2-179.4 -3.1 -5.8 26.2 82 86 A L + 0 0 18 -11,-0.4 20,-0.2 1,-0.1 3,-0.1 -0.982 29.4 170.2-124.7 115.4 -6.7 -4.6 26.1 83 87 A L S S- 0 0 36 18,-3.0 2,-0.3 -2,-0.5 19,-0.2 0.774 71.8 -10.0 -88.1 -38.6 -9.5 -6.9 27.3 84 88 A D E -F 101 0B 30 17,-1.2 17,-3.0 253,-0.1 -1,-0.3 -0.972 49.4-159.2-160.8 153.9 -12.3 -4.4 27.3 85 89 A V E +F 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.941 28.6 173.0-141.8 116.6 -13.1 -0.6 26.9 86 90 A F E -F 99 0B 14 13,-2.5 13,-1.4 -2,-0.3 -2,-0.0 -0.920 23.0-174.6-136.1 160.9 -16.4 0.8 28.2 87 91 A T - 0 0 16 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.983 31.0-134.2-143.0 145.9 -18.5 3.9 28.9 88 92 A P S S+ 0 0 18 0, 0.0 -84,-0.1 0, 0.0 10,-0.1 0.581 70.2 128.9 -77.0 -5.5 -21.9 4.3 30.7 89 93 A A - 0 0 15 8,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.214 45.9-172.2 -57.0 134.1 -22.7 6.6 27.7 90 94 A R S S+ 0 0 168 -2,-0.0 2,-0.2 1,-0.0 -1,-0.1 0.699 79.1 8.1 -93.3 -28.7 -25.9 6.2 25.6 91 95 A S S > S- 0 0 39 1,-0.1 4,-1.4 0, 0.0 3,-0.4 -0.708 77.3-104.0-139.9-173.0 -24.6 8.8 23.1 92 96 A L T 4 S+ 0 0 39 -2,-0.2 2,-0.1 1,-0.2 237,-0.1 0.792 117.3 61.8 -83.4 -32.4 -21.5 10.9 22.1 93 97 A E T 4 S+ 0 0 160 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.089 113.7 36.6 -87.6 32.8 -23.2 14.0 23.5 94 98 A E T 4 S+ 0 0 104 -3,-0.4 -2,-0.2 -2,-0.1 -1,-0.2 0.350 86.2 112.3-143.8 -51.1 -23.1 12.2 27.0 95 99 A F < + 0 0 1 -4,-1.4 234,-0.1 1,-0.2 3,-0.1 -0.139 24.5 127.9 -42.4 97.0 -19.7 10.3 26.7 96 100 A N + 0 0 83 -2,-0.1 -41,-0.3 -3,-0.1 2,-0.3 0.257 56.3 73.6-138.3 4.7 -17.4 11.9 29.3 97 101 A D - 0 0 42 -44,-0.1 2,-0.3 -43,-0.1 -8,-0.2 -0.915 55.2-176.1-121.1 145.1 -16.3 8.7 31.2 98 102 A V - 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0 0 23 -3,-0.6 -1,-0.2 -6,-0.2 5,-0.1 -0.172 65.0 -92.1 -55.0 137.5 27.9 -11.4 39.3 265 278 A N >> - 0 0 45 1,-0.1 3,-2.2 -3,-0.1 4,-1.5 -0.265 39.4-122.2 -48.8 122.5 27.8 -13.8 36.3 266 279 A P H 3> S+ 0 0 108 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.816 111.2 56.1 -41.4 -41.6 30.5 -12.4 33.9 267 280 A L H 3> S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.707 104.5 53.7 -65.1 -26.5 27.9 -12.0 31.1 268 281 A A H <> S+ 0 0 0 -3,-2.2 4,-2.8 2,-0.2 5,-0.2 0.945 107.9 49.5 -72.1 -48.9 25.7 -9.8 33.3 269 282 A V H X S+ 0 0 20 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.925 112.9 48.3 -51.5 -52.3 28.6 -7.5 34.1 270 283 A D H X S+ 0 0 63 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.873 113.8 44.8 -55.3 -52.2 29.4 -7.3 30.2 271 284 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 4,-0.2 0.883 110.6 54.3 -64.2 -39.7 25.7 -6.5 29.2 272 285 A L H >X S+ 0 0 0 -4,-2.8 3,-2.0 2,-0.2 4,-1.7 0.928 106.6 53.2 -57.2 -46.1 25.3 -3.9 32.1 273 286 A E H >< S+ 0 0 47 -4,-2.1 3,-0.7 1,-0.3 -2,-0.2 0.951 107.2 49.4 -52.3 -57.4 28.4 -2.1 30.7 274 287 A K T 3< S+ 0 0 98 -4,-1.9 10,-1.7 1,-0.2 -1,-0.3 0.413 112.4 53.6 -62.2 -1.3 26.9 -2.0 27.2 275 288 A M T <4 S+ 0 0 0 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.758 102.0 51.3-104.0 -36.4 23.6 -0.5 29.0 276 289 A L S << S+ 0 0 1 -4,-1.7 2,-0.2 -3,-0.7 -2,-0.1 0.086 76.4 140.6 -94.0 25.0 25.0 2.4 31.0 277 290 A V - 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0 0 1 -5,-0.3 27,-0.1 26,-0.2 -3,-0.1 -0.069 35.6 -25.7 80.1 179.9 2.2 -5.1 1.3 569 241 B T S S- 0 0 39 24,-2.6 50,-0.1 1,-0.2 26,-0.1 -0.238 85.6 -74.4 -62.7 149.4 1.9 -8.7 0.0 570 242 B P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 -0.273 57.9-116.6 -54.9 122.3 2.9 -9.7 -3.6 571 243 B G > - 0 0 43 -3,-0.1 4,-2.1 1,-0.1 -3,-0.0 0.089 23.6-102.6 -52.3 165.4 0.2 -8.4 -6.0 572 244 B A H > S+ 0 0 69 2,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.837 122.4 50.2 -62.1 -35.4 -2.0 -10.7 -8.3 573 245 B E H >> S+ 0 0 104 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.942 114.7 42.5 -64.9 -53.7 0.1 -9.8 -11.4 574 246 B L H 3> S+ 0 0 3 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.779 98.9 75.9 -62.5 -34.3 3.5 -10.6 -9.6 575 247 B L H 3< S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.761 105.9 34.5 -50.5 -31.7 1.9 -13.8 -8.0 576 248 B K H << S+ 0 0 176 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.821 106.0 68.9 -91.0 -40.9 2.2 -15.5 -11.5 577 249 B K H < S+ 0 0 62 -4,-1.2 2,-0.3 2,-0.0 -2,-0.2 0.586 73.6 112.7 -54.6 -18.2 5.6 -13.8 -12.5 578 250 B I < - 0 0 6 -4,-1.0 -52,-0.2 1,-0.2 6,-0.1 -0.484 50.0-169.2 -63.7 119.4 7.3 -15.8 -9.7 579 251 B S + 0 0 85 -54,-2.7 -1,-0.2 -2,-0.3 -53,-0.1 0.978 62.9 76.9 -74.5 -60.4 9.7 -18.3 -11.4 580 252 B S - 0 0 49 -55,-0.7 4,-0.1 1,-0.1 5,-0.1 -0.282 65.7-153.7 -58.2 126.5 10.6 -20.5 -8.4 581 253 B E S S+ 0 0 122 1,-0.1 4,-0.5 2,-0.1 3,-0.3 0.832 98.6 41.9 -67.3 -35.1 7.8 -23.0 -7.5 582 254 B S S >> S+ 0 0 81 2,-0.2 4,-1.2 1,-0.2 3,-0.9 0.883 106.3 57.5 -80.6 -47.0 9.2 -23.0 -3.9 583 255 B A T 34 S+ 0 0 21 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.355 107.6 53.6 -70.9 8.1 10.0 -19.2 -3.4 584 256 B R T 3> S+ 0 0 63 -3,-0.3 4,-2.3 2,-0.1 -1,-0.3 0.631 98.1 62.4-106.4 -33.3 6.2 -18.8 -4.2 585 257 B N H <> S+ 0 0 101 -3,-0.9 4,-1.7 -4,-0.5 -2,-0.2 0.844 109.3 41.4 -62.8 -37.8 5.2 -21.3 -1.4 586 258 B Y H X S+ 0 0 60 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.916 111.5 56.5 -72.8 -47.4 6.8 -18.9 1.2 587 259 B I H 4 S+ 0 0 9 -4,-0.3 -2,-0.2 -5,-0.2 3,-0.2 0.846 114.0 40.4 -50.6 -42.5 5.3 -15.8 -0.6 588 260 B Q H < S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.998 104.6 63.3 -69.4 -69.2 1.8 -17.3 -0.3 589 261 B S H < S+ 0 0 95 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.497 83.2 100.7 -31.2 -31.1 1.9 -18.7 3.3 590 262 B L S < S- 0 0 59 -4,-1.0 3,-0.1 -3,-0.2 -21,-0.0 -0.237 84.5 -84.3 -65.8 155.3 2.4 -15.2 5.0 591 263 B T - 0 0 110 1,-0.2 2,-2.3 -22,-0.0 -1,-0.1 -0.093 51.7 -89.9 -56.2 152.1 -0.4 -13.2 6.7 592 264 B Q + 0 0 150 -24,-0.0 -1,-0.2 -23,-0.0 -2,-0.0 -0.465 58.1 174.5 -68.1 75.1 -2.8 -11.0 4.7 593 265 B M - 0 0 30 -2,-2.3 -24,-2.6 -3,-0.1 3,-0.1 -0.825 20.0-147.8 -88.2 106.2 -0.4 -7.9 5.1 594 266 B P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -26,-0.2 -0.271 21.6 -86.3 -81.0 169.6 -2.0 -5.2 2.9 595 267 B K - 0 0 121 -27,-0.1 2,-0.3 -28,-0.1 -28,-0.2 -0.586 46.5-143.3 -72.2 125.7 -0.6 -2.3 0.8 596 268 B M - 0 0 47 -30,-0.6 2,-0.3 -2,-0.3 -1,-0.0 -0.764 12.8-117.0 -97.3 140.7 -0.1 0.7 3.0 597 269 B N - 0 0 82 -2,-0.3 4,-0.2 1,-0.1 3,-0.2 -0.559 15.2-138.9 -74.5 133.0 -0.7 4.3 1.8 598 270 B F S > S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.598 96.1 69.8 -71.9 -10.4 2.5 6.5 2.0 599 271 B A T 4 S+ 0 0 41 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.981 93.4 53.2 -69.0 -54.8 0.5 9.5 3.3 600 272 B N T 4 S+ 0 0 68 1,-0.2 -288,-0.4 -3,-0.2 -287,-0.3 0.485 118.0 40.0 -58.9 -7.5 -0.2 7.9 6.8 601 273 B V T 4 S+ 0 0 59 -3,-0.4 2,-0.8 -4,-0.2 -1,-0.2 0.803 119.3 39.1-104.0 -58.9 3.6 7.3 7.1 602 274 B F S >< S+ 0 0 11 -4,-2.3 3,-1.0 2,-0.0 -2,-0.1 -0.451 80.8 166.7 -96.3 56.9 5.2 10.5 5.6 603 275 B I T 3 + 0 0 84 -2,-0.8 3,-0.1 1,-0.2 -3,-0.1 -0.384 63.2 23.3 -68.9 148.9 2.8 13.0 7.1 604 276 B G T 3 S+ 0 0 91 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.240 103.0 111.6 77.8 -11.2 3.7 16.8 6.9 605 277 B A S < S- 0 0 36 -3,-1.0 -1,-0.2 -6,-0.2 -59,-0.0 -0.043 83.3 -67.5 -82.2-175.7 6.1 16.0 4.0 606 278 B N > - 0 0 44 1,-0.1 4,-1.4 -3,-0.1 -1,-0.2 -0.592 36.0-141.7 -75.2 136.0 5.8 17.0 0.3 607 279 B P H > S+ 0 0 102 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.795 103.4 51.6 -67.9 -25.8 2.8 15.3 -1.5 608 280 B L H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 27,-0.2 0.761 108.4 49.4 -77.2 -32.6 5.0 14.9 -4.6 609 281 B A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.788 111.6 49.9 -75.8 -25.8 7.9 13.3 -2.7 610 282 B V H X S+ 0 0 19 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.837 112.9 47.1 -76.2 -33.7 5.1 11.0 -1.2 611 283 B D H X S+ 0 0 70 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.884 115.7 45.0 -72.5 -40.5 4.0 10.4 -4.9 612 284 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.910 110.6 52.2 -68.5 -45.8 7.6 9.8 -5.9 613 285 B L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.947 109.6 52.2 -51.2 -52.8 8.3 7.5 -2.9 614 286 B E H < S+ 0 0 48 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.925 112.5 44.4 -48.3 -58.5 5.1 5.5 -4.0 615 287 B K H < S+ 0 0 74 -4,-2.1 10,-1.1 1,-0.2 3,-0.3 0.843 116.9 44.8 -54.7 -47.7 6.5 5.1 -7.6 616 288 B M H < S+ 0 0 0 -4,-2.7 2,-1.1 1,-0.2 -1,-0.2 0.841 107.3 58.0 -69.1 -42.3 10.1 4.2 -6.5 617 289 B L S < S+ 0 0 4 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.590 72.2 144.7 -94.9 71.4 9.2 1.7 -3.7 618 290 B V - 0 0 40 -2,-1.1 6,-0.1 -3,-0.3 -83,-0.1 -0.956 47.9-145.8-109.5 124.0 7.1 -0.8 -5.8 619 291 B L S S+ 0 0 14 -2,-0.5 2,-0.8 -52,-0.2 -1,-0.1 0.664 90.7 73.9 -60.6 -18.5 7.3 -4.6 -4.9 620 292 B D >> - 0 0 17 1,-0.1 4,-0.8 2,-0.0 3,-0.7 -0.864 69.9-163.9 -99.4 100.7 6.9 -5.3 -8.7 621 293 B S T 34 S+ 0 0 3 -2,-0.8 -90,-0.2 1,-0.2 -1,-0.1 0.674 88.9 59.4 -60.8 -15.7 10.2 -4.4 -10.3 622 294 B D T 34 S+ 0 0 84 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.894 111.8 39.3 -76.1 -40.6 8.6 -4.3 -13.8 623 295 B K T <4 S+ 0 0 142 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.470 93.6 113.6 -85.1 -5.6 6.2 -1.6 -12.6 624 296 B R S < S- 0 0 6 -4,-0.8 2,-0.2 -6,-0.1 -8,-0.2 -0.455 78.1-101.2 -69.3 138.1 9.0 0.2 -10.6 625 297 B I - 0 0 22 -10,-1.1 -1,-0.1 -13,-0.1 5,-0.1 -0.423 34.2-129.0 -66.8 124.3 10.0 3.7 -11.9 626 298 B T > - 0 0 61 -2,-0.2 4,-0.9 1,-0.1 3,-0.1 -0.285 22.3-110.0 -73.2 160.4 13.2 4.0 -14.0 627 299 B A H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -151,-0.1 0.771 120.6 50.3 -57.7 -36.3 16.0 6.5 -13.3 628 300 B A H > S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.847 111.3 48.9 -68.5 -40.3 15.1 8.5 -16.5 629 301 B Q H > S+ 0 0 111 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.610 111.0 51.4 -75.4 -17.9 11.5 8.5 -15.4 630 302 B A H < S+ 0 0 0 -4,-0.9 6,-0.2 2,-0.2 -2,-0.2 0.830 107.6 49.9 -88.6 -37.6 12.5 9.7 -11.9 631 303 B L H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.827 112.5 50.2 -66.5 -36.0 14.7 12.7 -13.2 632 304 B A H < S+ 0 0 63 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.811 86.7 116.2 -70.2 -36.6 11.8 13.7 -15.3 633 305 B H S >< S- 0 0 21 -4,-0.7 3,-2.1 1,-0.1 7,-0.1 0.027 78.8-114.9 -43.3 139.1 9.2 13.6 -12.4 634 306 B A G > S+ 0 0 64 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 0.738 106.5 79.4 -46.7 -34.4 7.5 16.9 -11.3 635 307 B Y G 3 S+ 0 0 6 1,-0.3 2,-0.5 -27,-0.2 -1,-0.3 0.768 92.7 51.0 -48.4 -31.3 9.3 16.6 -7.9 636 308 B F G <> + 0 0 1 -3,-2.1 4,-1.6 -6,-0.2 3,-0.3 -0.456 67.2 131.9-109.4 58.5 12.5 18.1 -9.5 637 309 B A T <4 S+ 0 0 87 -3,-0.8 -1,-0.2 -2,-0.5 -2,-0.1 0.802 75.5 45.5 -77.4 -33.0 11.1 21.2 -11.3 638 310 B Q T 4 S+ 0 0 118 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.404 123.6 37.6 -89.8 2.1 13.8 23.7 -10.0 639 311 B Y T 4 S+ 0 0 58 -3,-0.3 -2,-0.2 -8,-0.1 -1,-0.1 0.531 87.1 106.3-127.1 -20.3 16.5 21.1 -10.9 640 312 B H < + 0 0 70 -4,-1.6 -8,-0.1 -6,-0.1 -9,-0.0 -0.300 23.1 143.5 -70.6 155.4 15.7 19.2 -14.2 641 313 B D > - 0 0 71 -10,-0.1 3,-1.1 -2,-0.0 -9,-0.0 -0.378 28.9-163.1 173.3 103.0 17.4 19.9 -17.5 642 314 B P G > S+ 0 0 81 0, 0.0 3,-1.6 0, 0.0 -10,-0.0 0.754 89.9 70.4 -72.3 -19.9 18.0 16.9 -19.8 643 315 B D G 3 S+ 0 0 149 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.547 106.7 40.8 -66.2 -12.1 20.6 18.9 -21.8 644 316 B D G < S+ 0 0 66 -3,-1.1 -1,-0.3 1,-0.1 0, 0.0 0.041 93.8 84.8-125.1 17.6 22.7 18.5 -18.6 645 317 B E < - 0 0 13 -3,-1.6 -1,-0.1 -169,-0.0 -2,-0.0 -0.535 69.7-169.8-115.3 61.3 21.9 14.8 -17.8 646 318 B P - 0 0 71 0, 0.0 2,-0.1 0, 0.0 -169,-0.1 -0.157 7.0-143.1 -62.1 149.1 24.6 13.1 -20.0 647 319 B V - 0 0 81 1,-0.1 -170,-0.1 -167,-0.1 2,-0.1 -0.470 24.6 -80.6-105.4 173.2 24.7 9.3 -20.8 648 320 B A - 0 0 20 -171,-0.4 -1,-0.1 -172,-0.2 3,-0.1 -0.420 26.7-119.6 -83.9 153.2 27.5 6.7 -21.2 649 321 B D - 0 0 103 -235,-0.1 -1,-0.1 -2,-0.1 -168,-0.0 -0.790 61.9 -82.3 -85.2 110.0 29.8 5.7 -24.1 650 322 B P - 0 0 128 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.288 49.1-134.4 -17.8 126.2 29.0 1.9 -24.8 651 323 B Y - 0 0 28 -170,-0.1 2,-1.3 -3,-0.1 3,-0.1 -0.839 4.4-139.7-100.5 120.3 30.8 -0.5 -22.4 652 324 B D + 0 0 98 -2,-0.5 3,-0.2 1,-0.2 -171,-0.0 -0.649 37.7 159.8 -78.3 96.7 32.6 -3.6 -23.5 653 325 B Q > + 0 0 53 -2,-1.3 3,-2.6 1,-0.1 4,-0.2 0.436 33.4 113.3 -96.5 -7.1 31.5 -5.8 -20.5 654 326 B S G > + 0 0 49 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.604 58.5 79.3 -48.0 -18.0 32.1 -9.2 -22.2 655 327 B F G > S+ 0 0 6 -3,-0.2 3,-0.8 1,-0.2 -1,-0.3 0.678 83.0 66.9 -61.6 -20.4 34.9 -10.0 -19.7 656 328 B E G < S+ 0 0 45 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 93.8 55.0 -72.1 -33.0 32.0 -11.0 -17.3 657 329 B S G < S+ 0 0 98 -3,-1.0 2,-0.5 -4,-0.2 -1,-0.2 0.470 92.9 103.5 -77.1 -0.3 31.0 -14.0 -19.4 658 330 B R < - 0 0 120 -3,-0.8 2,-0.7 -4,-0.2 -3,-0.0 -0.767 51.9-167.7 -97.3 124.1 34.7 -15.2 -19.1 659 331 B D + 0 0 158 -2,-0.5 2,-0.2 0, 0.0 -3,-0.1 -0.890 33.2 145.2-106.2 95.2 35.9 -18.0 -16.8 660 332 B L - 0 0 50 -2,-0.7 -257,-0.1 1,-0.2 -2,-0.0 -0.706 47.9 -86.5-123.4 176.3 39.8 -17.8 -16.7 661 333 B L > - 0 0 117 -2,-0.2 4,-0.7 1,-0.1 -1,-0.2 -0.035 41.6-101.8 -75.7-177.6 42.6 -18.4 -14.1 662 334 B I H >> S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 3,-1.1 0.964 117.9 56.2 -71.4 -52.0 44.0 -15.9 -11.6 663 335 B D H 3> S+ 0 0 102 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.742 102.8 56.5 -48.7 -37.7 47.2 -15.1 -13.7 664 336 B E H 3> S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.832 108.7 45.8 -67.7 -38.6 45.1 -14.1 -16.8 665 337 B W H X S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-1.0 0.856 105.8 59.9 -64.4 -34.8 44.8 -5.6 -15.2 670 342 B Y H 3X S+ 0 0 48 -4,-1.8 4,-2.0 1,-0.3 3,-0.5 0.855 99.0 54.9 -60.2 -38.6 48.6 -5.0 -16.0 671 343 B D H 3X S+ 0 0 77 -4,-1.2 4,-0.7 1,-0.2 -1,-0.3 0.587 108.6 50.9 -69.0 -15.2 47.7 -3.9 -19.5 672 344 B E H <4 S+ 0 0 33 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.611 107.3 51.3 -97.4 -23.1 45.2 -1.3 -17.9 673 345 B V H >< S+ 0 0 20 -4,-1.0 3,-0.6 -3,-0.5 -2,-0.2 0.906 116.5 39.5 -80.5 -47.8 47.8 0.2 -15.5 674 346 B I H 3< S+ 0 0 121 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.922 116.1 52.6 -63.7 -44.8 50.4 0.8 -18.3 675 347 B S T 3< S+ 0 0 58 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.479 85.0 117.5 -73.5 -3.8 47.6 1.9 -20.7 676 348 B F < - 0 0 26 -3,-0.6 -3,-0.1 -250,-0.1 -4,-0.0 -0.442 39.5-179.2 -70.5 135.0 46.4 4.4 -18.2 677 349 B V - 0 0 123 -2,-0.2 -2,-0.0 -264,-0.1 -3,-0.0 -0.977 30.1-125.4-130.9 110.4 46.5 8.1 -19.2 678 350 B P - 0 0 70 0, 0.0 -254,-0.1 0, 0.0 -253,-0.1 -0.302 31.1 -99.8 -60.7 146.7 45.2 10.3 -16.4 679 351 B P - 0 0 71 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.343 38.8-124.5 -62.7 149.6 42.3 12.8 -17.3 680 352 B P 0 0 126 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.397 360.0 360.0 -72.9-146.3 43.4 16.4 -18.0 681 353 B L 0 0 220 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.339 360.0 360.0-108.1 360.0 42.1 19.6 -16.3