==== 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/TRANSFERASE INHIBITOR 20-DEC-11 3V6R . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 10; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.PARK,P.V.LOGRASSO,J.D.LAUGHLIN . 695 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 62.3 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 . 88 12.7 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 . 4 0.6 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 . 45 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 4 0 0 0 2 0 0 2 2 0 2 2 2 0 0 2 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 . 0 2 2 2 1 4 3 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 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 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 45 A D 0 0 112 0, 0.0 5,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 75.5 -0.0 -11.7 -42.4 2 46 A N + 0 0 137 3,-0.1 16,-0.0 0, 0.0 0, 0.0 0.766 360.0 22.5-105.0 -52.7 -0.6 -7.9 -42.3 3 47 A Q S S+ 0 0 110 85,-0.1 15,-2.9 14,-0.1 16,-0.3 0.459 124.4 73.5 -88.8 -4.0 1.7 -6.9 -39.4 4 48 A F E +A 17 0A 15 13,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.789 54.9 179.3-112.5 156.0 3.7 -10.2 -40.1 5 49 A Y E -A 16 0A 72 11,-2.2 11,-1.9 -2,-0.3 2,-0.3 -0.959 23.8-122.8-146.8 153.0 6.1 -11.3 -42.9 6 50 A S E +A 15 0A 76 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.737 27.4 170.8-103.7 150.7 8.0 -14.6 -43.4 7 51 A V E -A 14 0A 47 7,-1.3 7,-3.0 -2,-0.3 2,-0.5 -0.927 32.0-125.3-159.3 132.1 11.8 -15.2 -43.8 8 52 A E E +A 13 0A 120 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.716 32.6 179.3 -80.3 117.4 13.9 -18.3 -43.9 9 53 A V E > -A 12 0A 6 3,-3.5 3,-0.6 -2,-0.5 15,-0.1 -0.975 65.2 -23.4-127.7 118.4 16.7 -18.0 -41.2 10 54 A G T 3 S- 0 0 42 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.876 127.5 -45.7 48.5 52.1 19.2 -20.9 -40.7 11 55 A D T 3 S+ 0 0 168 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.709 121.8 104.4 64.7 30.9 17.0 -23.6 -42.2 12 56 A S E < S-A 9 0A 17 -3,-0.6 -3,-3.5 2,-0.0 2,-0.6 -1.000 71.5-123.8-142.8 137.1 13.9 -22.3 -40.2 13 57 A T E -A 8 0A 59 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.713 24.5-164.7 -83.6 116.6 10.8 -20.3 -41.2 14 58 A F E -A 7 0A 0 -7,-3.0 -7,-1.3 -2,-0.6 2,-0.9 -0.913 8.9-173.5-106.5 109.3 10.5 -17.1 -39.1 15 59 A T E +A 6 0A 29 -2,-0.7 2,-0.2 -9,-0.2 -9,-0.2 -0.913 30.6 158.9-102.1 98.0 7.0 -15.5 -39.3 16 60 A V E -A 5 0A 0 -11,-1.9 -11,-2.2 -2,-0.9 -2,-0.0 -0.793 45.8 -81.1-120.3 165.6 7.7 -12.3 -37.4 17 61 A L E > -A 4 0A 30 -2,-0.2 3,-2.1 -13,-0.2 -13,-0.3 -0.339 42.0-116.0 -63.5 145.2 6.3 -8.7 -37.0 18 62 A K T 3 S+ 0 0 120 -15,-2.9 -1,-0.1 1,-0.3 -14,-0.1 0.603 111.0 73.3 -61.7 -11.8 7.3 -6.2 -39.7 19 63 A R T 3 S+ 0 0 64 -16,-0.3 21,-3.0 1,-0.1 2,-0.7 0.702 83.8 75.4 -73.7 -22.8 9.1 -4.2 -36.9 20 64 A Y E < +B 39 0B 1 -3,-2.1 19,-0.2 19,-0.2 2,-0.2 -0.860 68.1 163.6 -99.1 111.7 11.9 -6.9 -36.8 21 65 A Q E +B 38 0B 75 17,-2.6 17,-3.0 -2,-0.7 -2,-0.0 -0.651 44.2 36.3-121.3 174.9 14.2 -6.6 -39.8 22 66 A N E S- 0 0 111 15,-0.2 -1,-0.2 -2,-0.2 14,-0.1 0.830 74.5-165.0 46.6 44.8 17.7 -7.7 -41.1 23 67 A L E - 0 0 25 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.355 9.2-176.6 -61.6 131.6 17.3 -11.1 -39.3 24 68 A K E -B 36 0B 142 12,-2.9 12,-3.6 -15,-0.1 -15,-0.1 -1.000 27.7-110.4-131.9 135.0 20.6 -13.0 -39.1 25 69 A P E +B 35 0B 83 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.386 43.8 153.9 -69.9 143.5 21.1 -16.6 -37.7 26 70 A I E + 0 0 102 8,-1.6 2,-0.3 1,-0.3 9,-0.2 0.528 57.5 9.5-134.9 -34.5 23.0 -16.9 -34.3 27 71 A G E +B 34 0B 28 7,-2.3 7,-3.5 9,-0.0 -1,-0.3 -0.999 42.2 165.7-159.9 158.6 21.8 -20.2 -32.7 28 72 A S E +B 33 0B 95 -2,-0.3 5,-0.2 5,-0.3 -18,-0.0 -0.944 28.2 87.9-165.1 146.4 20.0 -23.6 -32.7 29 73 A G + 0 0 62 3,-1.0 -1,-0.1 -2,-0.3 0, 0.0 0.221 60.7 31.0 88.3 152.9 19.8 -26.8 -30.5 30 74 A A S S- 0 0 87 22,-0.0 2,-0.2 148,-0.0 -1,-0.0 -0.990 131.2 -17.5 -81.3 0.4 19.2 -28.9 -28.6 31 75 A Q S S+ 0 0 59 1,-0.2 2,-0.1 29,-0.0 -3,-0.0 -0.664 113.6 46.1-167.7 100.2 15.7 -27.3 -28.6 32 76 A G - 0 0 10 -2,-0.2 -3,-1.0 19,-0.1 2,-0.5 -0.005 60.4-129.4 130.1 129.4 15.1 -23.8 -30.0 33 77 A I E -BC 28 50B 24 17,-2.1 17,-3.1 -5,-0.2 2,-0.3 -0.901 28.5-172.7-106.5 124.1 16.1 -21.7 -33.0 34 78 A V E +BC 27 49B 34 -7,-3.5 -7,-2.3 -2,-0.5 -8,-1.6 -0.917 7.7 171.7-118.9 144.4 17.5 -18.2 -32.3 35 79 A C E -BC 25 48B 0 13,-1.9 13,-2.6 -2,-0.3 2,-0.3 -0.923 29.7-115.4-143.0 164.7 18.4 -15.4 -34.6 36 80 A A E +BC 24 47B 11 -12,-3.6 -12,-2.9 -2,-0.3 2,-0.3 -0.809 37.6 169.4-102.0 145.2 19.5 -11.7 -34.4 37 81 A A E - C 0 46B 4 9,-2.4 9,-3.2 -2,-0.3 2,-0.5 -0.984 34.6-114.8-152.9 160.1 17.3 -8.8 -35.7 38 82 A Y E -BC 21 45B 63 -17,-3.0 -17,-2.6 -2,-0.3 2,-0.7 -0.889 23.9-143.5-101.7 124.1 16.9 -5.0 -35.7 39 83 A D E >> -BC 20 44B 1 5,-3.2 5,-1.4 -2,-0.5 4,-1.3 -0.812 11.6-169.6 -86.5 115.0 13.8 -3.7 -33.9 40 84 A A T 45S+ 0 0 39 -21,-3.0 -1,-0.2 -2,-0.7 -20,-0.1 0.862 85.1 53.2 -71.9 -39.2 12.7 -0.6 -36.0 41 85 A V T 45S+ 0 0 104 1,-0.2 -1,-0.2 -22,-0.2 -21,-0.1 0.865 122.2 29.5 -64.7 -41.1 10.1 0.5 -33.3 42 86 A L T 45S- 0 0 101 2,-0.2 -1,-0.2 -23,-0.1 -2,-0.2 0.594 99.4-132.9 -95.8 -12.5 12.8 0.5 -30.5 43 87 A D T <5 + 0 0 121 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.924 69.9 109.5 55.9 50.4 15.8 1.4 -32.8 44 88 A R E - 0 0 172 -2,-0.6 3,-1.2 1,-0.1 4,-0.3 0.878 69.9-178.9 38.5 68.0 8.1 -28.1 -31.1 54 98 A P T 3 S+ 0 0 5 0, 0.0 10,-0.2 0, 0.0 3,-0.2 0.744 80.3 42.1 -66.5 -21.7 6.6 -26.6 -27.8 55 99 A F T 3 S+ 0 0 42 41,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.051 78.9 105.1-113.6 23.6 3.6 -29.1 -27.9 56 100 A Q S < S- 0 0 69 -3,-1.2 2,-0.3 1,-0.2 -1,-0.1 0.882 99.2 -18.2 -67.1 -38.7 5.5 -32.3 -29.0 57 101 A N S > S- 0 0 6 -4,-0.3 4,-1.6 -3,-0.2 -1,-0.2 -0.905 73.8 -92.3-156.7 175.7 5.1 -33.5 -25.4 58 102 A Q H > S+ 0 0 21 609,-0.3 4,-2.6 607,-0.3 5,-0.2 0.749 119.9 58.3 -70.3 -28.5 4.4 -32.4 -21.8 59 103 A T H > S+ 0 0 61 606,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.925 108.8 45.2 -70.1 -40.7 8.1 -31.8 -20.9 60 104 A H H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.877 117.2 45.4 -64.3 -42.9 8.4 -29.3 -23.8 61 105 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.868 113.4 48.1 -72.1 -40.4 5.2 -27.6 -22.9 62 106 A K H X S+ 0 0 37 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.935 115.1 46.3 -63.9 -45.1 6.0 -27.5 -19.1 63 107 A R H X S+ 0 0 51 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.835 114.2 48.6 -65.5 -36.8 9.5 -26.1 -19.9 64 108 A A H X S+ 0 0 10 -4,-1.9 4,-2.0 -10,-0.2 -2,-0.2 0.897 113.7 45.0 -70.6 -43.9 8.0 -23.5 -22.4 65 109 A Y H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.937 114.8 49.5 -64.2 -47.3 5.3 -22.3 -19.9 66 110 A R H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 113.5 45.4 -54.8 -52.2 8.0 -22.1 -17.1 67 111 A E H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.860 114.1 48.3 -62.4 -43.6 10.5 -20.1 -19.3 68 112 A L H X S+ 0 0 6 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.904 115.9 43.7 -67.5 -41.5 7.8 -17.7 -20.6 69 113 A V H X S+ 0 0 9 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.910 117.5 44.8 -70.0 -45.3 6.4 -17.0 -17.0 70 114 A L H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.910 109.9 53.1 -70.9 -40.5 9.8 -16.7 -15.4 71 115 A M H < S+ 0 0 4 -4,-2.5 11,-1.1 1,-0.2 -1,-0.2 0.818 115.3 44.1 -61.2 -31.3 11.3 -14.4 -18.1 72 116 A K H < S+ 0 0 49 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.931 118.3 40.4 -77.3 -50.7 8.3 -12.1 -17.6 73 117 A C H < S+ 0 0 54 -4,-2.5 2,-0.2 -5,-0.1 -2,-0.2 0.839 101.5 79.0 -70.4 -39.2 8.2 -12.1 -13.8 74 118 A V < + 0 0 3 -4,-2.7 2,-0.2 -5,-0.2 62,-0.0 -0.561 51.8 177.7 -75.7 136.0 12.0 -11.9 -13.2 75 119 A N + 0 0 134 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.672 27.6 132.8-139.1 76.2 13.6 -8.4 -13.6 76 120 A H > - 0 0 17 3,-0.3 3,-1.8 -2,-0.2 244,-0.0 -0.988 58.7-128.9-130.2 140.8 17.4 -8.7 -12.8 77 121 A K T 3 S+ 0 0 109 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.618 110.2 51.3 -64.2 -15.0 20.4 -7.3 -14.8 78 122 A N T 3 S+ 0 0 2 82,-0.1 83,-2.6 53,-0.1 2,-0.4 0.282 101.3 69.9-108.2 13.1 22.1 -10.7 -14.7 79 123 A I B < S-f 161 0C 2 -3,-1.8 -3,-0.3 81,-0.3 83,-0.2 -0.995 93.9-106.4-128.6 130.1 19.0 -12.7 -16.0 80 124 A I - 0 0 2 81,-2.3 2,-0.3 -2,-0.4 -6,-0.1 -0.319 38.3-144.0 -57.6 131.3 17.8 -12.3 -19.7 81 125 A S - 0 0 36 -4,-0.1 2,-0.8 -6,-0.1 22,-0.6 -0.796 12.4-117.4-102.9 148.7 14.6 -10.2 -19.8 82 126 A L E +E 102 0B 36 -11,-1.1 20,-0.2 -2,-0.3 3,-0.1 -0.734 28.9 177.2 -83.9 106.8 11.6 -10.7 -22.2 83 127 A L E - 0 0 83 18,-2.2 2,-0.3 -2,-0.8 19,-0.2 0.911 69.7 -10.8 -73.7 -44.3 11.3 -7.5 -24.4 84 128 A N E -E 101 0B 40 17,-1.7 17,-3.2 2,-0.0 2,-0.3 -0.966 54.4-162.0-153.5 161.1 8.3 -8.9 -26.4 85 129 A V E +E 100 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.975 22.5 157.0-147.4 134.0 6.3 -12.2 -27.1 86 130 A F E -E 99 0B 14 13,-1.5 13,-2.1 -2,-0.3 264,-0.1 -0.984 28.7-148.0-154.6 165.1 4.0 -13.0 -30.1 87 131 A T - 0 0 10 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.994 14.6-146.3-134.4 134.8 2.3 -15.7 -32.2 88 132 A P S S+ 0 0 30 0, 0.0 2,-0.2 0, 0.0 -84,-0.1 0.705 76.6 95.4 -76.8 -14.7 1.5 -15.2 -36.0 89 133 A Q - 0 0 35 8,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.567 67.7-148.5 -80.8 136.2 -1.6 -17.4 -35.5 90 134 A K S S+ 0 0 79 -2,-0.2 2,-0.3 5,-0.0 -1,-0.1 0.655 71.3 32.4 -79.8 -24.6 -4.9 -15.6 -34.9 91 135 A T S > S- 0 0 44 1,-0.1 4,-1.9 0, 0.0 -2,-0.0 -0.872 79.0-109.8-134.3 168.3 -6.8 -18.2 -32.6 92 136 A L T 4 S+ 0 0 43 -2,-0.3 -1,-0.1 2,-0.2 254,-0.1 0.854 119.5 53.4 -60.2 -38.4 -6.2 -20.9 -30.0 93 137 A E T 4 S+ 0 0 145 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.924 115.3 37.5 -63.2 -49.6 -7.1 -23.5 -32.6 94 138 A E T 4 S+ 0 0 128 2,-0.0 -2,-0.2 0, 0.0 -1,-0.2 0.719 91.1 120.7 -75.3 -24.3 -4.6 -22.3 -35.2 95 139 A F < + 0 0 6 -4,-1.9 3,-0.1 1,-0.2 251,-0.1 -0.144 17.7 131.7 -49.7 123.5 -1.9 -21.5 -32.4 96 140 A Q + 0 0 117 1,-0.3 2,-0.3 -42,-0.0 -41,-0.2 0.479 52.1 61.9-146.5 -25.1 1.3 -23.4 -32.9 97 141 A D - 0 0 24 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.893 49.8-165.2-120.9 148.0 4.4 -21.1 -32.6 98 142 A V - 0 0 0 -2,-0.3 -47,-2.2 -47,-0.3 2,-0.5 -0.990 5.1-164.6-125.8 130.3 5.9 -18.8 -29.9 99 143 A Y E -DE 50 86B 0 -13,-2.1 -13,-1.5 -2,-0.4 2,-0.5 -0.969 4.2-161.7-118.8 115.7 8.5 -16.1 -30.5 100 144 A L E -DE 49 85B 1 -51,-2.7 -51,-2.9 -2,-0.5 2,-0.5 -0.856 5.5-158.0 -98.2 126.7 10.4 -14.7 -27.5 101 145 A V E +DE 48 84B 0 -17,-3.2 -18,-2.2 -2,-0.5 -17,-1.7 -0.941 22.9 161.4-108.1 121.0 12.1 -11.3 -28.1 102 146 A M E -DE 47 82B 15 -55,-2.8 -55,-3.0 -2,-0.5 -20,-0.1 -0.829 45.8 -72.5-132.9 169.8 15.0 -10.5 -25.8 103 147 A E E -D 46 0B 67 -22,-0.6 2,-0.5 -2,-0.3 -57,-0.2 -0.364 52.5-115.6 -61.8 139.3 18.1 -8.1 -25.7 104 148 A L - 0 0 37 -59,-1.1 2,-0.2 -67,-0.1 -59,-0.1 -0.721 29.6-161.9 -84.6 125.3 20.9 -9.1 -28.0 105 149 A M - 0 0 20 -2,-0.5 49,-0.2 1,-0.1 3,-0.1 -0.673 20.8-127.1-100.2 158.0 24.1 -10.1 -26.3 106 150 A D S S- 0 0 99 47,-0.8 2,-0.3 -2,-0.2 48,-0.2 0.868 78.2 -2.9 -77.6 -37.7 27.5 -10.2 -28.2 107 151 A A E -G 153 0C 40 46,-2.3 46,-3.4 4,-0.0 2,-0.2 -0.965 65.1-109.8-151.3 164.5 28.7 -13.7 -27.4 108 152 A N E >> -G 152 0C 44 -2,-0.3 3,-1.9 44,-0.3 4,-1.6 -0.673 35.9-115.0 -92.5 151.4 27.9 -17.0 -25.5 109 153 A L H 3> S+ 0 0 0 42,-3.1 4,-3.4 39,-0.8 5,-0.2 0.802 110.4 75.4 -57.9 -27.3 30.1 -18.0 -22.4 110 154 A C H 34 S+ 0 0 47 38,-0.5 -1,-0.3 41,-0.3 39,-0.1 0.694 106.8 31.3 -57.4 -24.3 31.2 -21.0 -24.5 111 155 A Q H X4 S+ 0 0 125 -3,-1.9 3,-1.3 37,-0.1 4,-0.2 0.806 117.5 52.3-102.8 -41.2 33.4 -18.7 -26.5 112 156 A V H >< S+ 0 0 26 -4,-1.6 3,-2.4 1,-0.2 -2,-0.2 0.905 101.5 64.3 -58.2 -39.6 34.3 -16.1 -23.9 113 157 A I T 3< S+ 0 0 6 -4,-3.4 -1,-0.2 1,-0.3 99,-0.1 0.729 96.8 58.7 -53.7 -27.6 35.5 -19.0 -21.6 114 158 A Q T < S+ 0 0 128 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.443 86.2 106.4 -84.8 -4.6 38.2 -19.7 -24.2 115 159 A M S < S- 0 0 104 -3,-2.4 2,-0.4 -4,-0.2 97,-0.1 -0.472 87.5 -96.2 -76.9 148.4 39.7 -16.2 -23.9 116 160 A E - 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0 0 50 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.501 39.4-100.5 -78.1 152.1 21.7 -45.2 -0.7 245 292 A P H 3> S+ 0 0 92 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.686 113.8 53.2 -47.4 -35.4 23.1 -48.9 -0.6 246 293 A T H 3> S+ 0 0 31 2,-0.2 4,-0.9 1,-0.2 222,-0.1 0.925 117.2 33.5 -72.8 -46.7 23.0 -49.6 -4.4 247 294 A V H <> S+ 0 0 28 -3,-0.5 4,-2.6 1,-0.2 5,-0.2 0.855 115.8 61.0 -74.2 -32.6 24.9 -46.6 -5.8 248 295 A R H X S+ 0 0 81 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.833 98.2 58.2 -56.5 -39.9 27.1 -46.7 -2.6 249 296 A N H X S+ 0 0 99 -4,-1.3 4,-1.1 -5,-0.2 -1,-0.2 0.924 111.4 39.3 -59.1 -49.4 28.2 -50.2 -3.6 250 297 A Y H X S+ 0 0 77 -4,-0.9 4,-0.6 2,-0.2 -2,-0.2 0.910 117.6 48.8 -68.2 -47.2 29.7 -49.0 -6.9 251 298 A V H >< S+ 0 0 4 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.924 114.4 45.4 -60.0 -48.0 31.1 -45.7 -5.5 252 299 A E H 3< S+ 0 0 66 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.722 108.8 57.7 -70.0 -22.8 32.8 -47.6 -2.5 253 300 A N H 3< S+ 0 0 118 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.580 84.4 104.8 -84.9 -9.0 34.1 -50.3 -4.9 254 301 A R S << S- 0 0 69 -3,-1.0 2,-0.1 -4,-0.6 3,-0.0 -0.317 90.2 -90.1 -64.3 150.9 36.0 -47.7 -7.0 255 302 A P - 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0 0 6 -4,-1.4 25,-0.2 -5,-0.5 -1,-0.2 -0.105 41.1 -51.6 96.9 160.9 -7.6 -62.9 -4.1 585 281 B T - 0 0 38 23,-2.6 22,-0.1 1,-0.1 18,-0.0 -0.490 65.4-110.6 -66.7 132.8 -9.2 -65.9 -5.8 586 282 B P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.243 40.7 -85.9 -68.7 158.1 -10.3 -65.2 -9.4 587 283 B C >> - 0 0 49 1,-0.1 4,-1.9 3,-0.1 3,-0.8 -0.178 35.0-112.4 -58.1 151.0 -14.0 -64.9 -10.5 588 284 B P H 3> S+ 0 0 102 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.847 118.7 62.4 -55.2 -33.4 -16.0 -68.1 -11.4 589 285 B E H 3> S+ 0 0 69 2,-0.2 4,-1.2 1,-0.2 -2,-0.0 0.882 105.8 44.6 -56.3 -44.9 -16.1 -66.7 -15.0 590 286 B F H <4 S+ 0 0 4 -3,-0.8 3,-0.3 2,-0.2 -1,-0.2 0.902 112.9 49.7 -65.7 -46.7 -12.2 -66.9 -15.2 591 287 B M H >< S+ 0 0 12 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.726 106.3 57.7 -69.1 -19.2 -12.1 -70.4 -13.6 592 288 B K H 3< S+ 0 0 157 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.861 98.8 59.0 -74.1 -37.9 -14.8 -71.4 -16.2 593 289 B K T 3< S+ 0 0 71 -4,-1.2 2,-0.3 -3,-0.3 -1,-0.2 0.458 92.1 97.5 -70.1 -2.1 -12.4 -70.4 -19.0 594 290 B L S < S- 0 0 5 -3,-0.6 -53,-0.1 -4,-0.1 -52,-0.1 -0.676 87.2-103.5 -92.0 144.9 -9.9 -73.0 -17.5 595 291 B Q >> - 0 0 75 -55,-0.3 4,-2.5 -2,-0.3 3,-0.9 -0.383 38.4-110.7 -64.5 137.1 -9.4 -76.5 -18.9 596 292 B P H 3> S+ 0 0 98 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.725 112.3 57.0 -42.2 -34.3 -11.2 -79.1 -16.6 597 293 B T H 3> S+ 0 0 114 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.866 117.2 29.3 -69.2 -46.1 -7.8 -80.7 -15.3 598 294 B V H <> S+ 0 0 48 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.807 115.6 63.7 -84.7 -29.8 -6.2 -77.5 -13.9 599 295 B R H X S+ 0 0 83 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.838 97.6 57.8 -56.1 -40.2 -9.7 -76.0 -13.1 600 296 B N H X S+ 0 0 98 -4,-1.4 4,-1.1 -5,-0.3 -1,-0.2 0.926 111.8 39.3 -58.8 -49.1 -10.2 -78.9 -10.6 601 297 B Y H X S+ 0 0 79 -4,-0.7 4,-0.6 2,-0.2 -2,-0.2 0.910 117.3 49.1 -68.6 -47.2 -7.0 -77.9 -8.6 602 298 B V H >< S+ 0 0 4 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.922 114.1 45.5 -60.3 -47.7 -7.6 -74.1 -8.9 603 299 B E H 3< S+ 0 0 78 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.727 108.6 57.6 -69.8 -23.2 -11.3 -74.4 -7.8 604 300 B N H 3< S+ 0 0 116 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.587 84.9 104.9 -84.2 -9.7 -10.3 -76.8 -4.9 605 301 B R S << S- 0 0 69 -3,-1.0 2,-0.1 -4,-0.6 3,-0.0 -0.315 89.0 -92.0 -64.9 150.1 -7.9 -74.1 -3.4 606 302 B P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.436 49.2-107.6 -64.1 138.2 -9.1 -72.3 -0.3 607 303 B K - 0 0 165 -3,-0.1 2,-0.4 -2,-0.1 -4,-0.0 -0.528 37.1-167.1 -70.8 130.7 -10.9 -69.0 -1.3 608 304 B Y - 0 0 83 -2,-0.3 -23,-2.6 1,-0.1 -26,-0.1 -0.958 22.4-157.1-119.9 139.6 -9.0 -65.8 -0.6 609 305 B A - 0 0 105 -2,-0.4 -1,-0.1 -25,-0.2 -28,-0.1 0.836 46.6-135.0 -79.2 -35.3 -10.5 -62.2 -0.6 610 306 B G - 0 0 22 -29,-0.2 -27,-0.2 -26,-0.1 -28,-0.2 0.306 17.5 -78.7 88.4 140.5 -7.0 -60.8 -1.3 611 307 B L - 0 0 73 -29,-1.0 -3,-0.0 -30,-0.4 -29,-0.0 -0.484 52.2-114.5 -68.2 136.3 -5.1 -57.9 0.3 612 308 B T > - 0 0 75 -2,-0.2 4,-2.6 1,-0.1 3,-0.4 -0.288 25.1-110.2 -68.7 162.4 -6.2 -54.5 -1.2 613 309 B F H > S+ 0 0 39 1,-0.2 4,-3.5 2,-0.2 -1,-0.1 0.919 117.4 61.4 -65.9 -33.9 -3.6 -52.6 -3.2 614 310 B P H 4 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.858 113.9 35.8 -57.8 -34.9 -3.4 -49.9 -0.4 615 311 B K H 4 S+ 0 0 121 -3,-0.4 -2,-0.2 1,-0.1 -4,-0.1 0.827 117.0 52.7 -87.5 -29.7 -2.2 -52.6 2.0 616 312 B L H < S+ 0 0 7 -4,-2.6 -3,-0.2 1,-0.3 -1,-0.1 0.881 130.3 18.0 -64.9 -40.5 -0.2 -54.4 -0.7 617 313 B F S < S- 0 0 0 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.673 87.1-170.3-132.9 78.0 1.6 -51.1 -1.5 618 314 B P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.276 38.9-106.5 -70.7 160.2 1.1 -48.6 1.4 619 315 B D G > S+ 0 0 95 1,-0.3 3,-1.6 2,-0.2 -4,-0.0 0.714 115.4 73.2 -54.6 -24.4 2.1 -44.8 1.2 620 316 B S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.742 91.8 54.9 -61.3 -30.4 5.1 -45.7 3.4 621 317 B L G < S+ 0 0 57 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.446 106.2 67.8 -82.8 -4.2 6.8 -47.4 0.4 622 318 B F S < S- 0 0 15 -3,-1.6 -151,-0.1 -4,-0.2 11,-0.1 -0.870 94.7 -85.5-119.6 153.3 6.4 -44.2 -1.7 623 319 B P - 0 0 41 0, 0.0 2,-0.2 0, 0.0 10,-0.2 -0.204 57.3-155.0 -57.6 144.2 7.9 -40.6 -1.6 624 320 B A + 0 0 79 1,-0.2 3,-0.1 -4,-0.1 -4,-0.0 -0.903 46.0 46.9-160.1 163.0 6.3 -38.0 0.7 625 321 B D S S+ 0 0 155 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.380 76.4 92.0-115.7 125.0 5.4 -35.4 1.8 626 322 B S S > S- 0 0 56 -3,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.939 70.7-123.8-153.6 151.8 4.0 -33.3 -1.0 627 323 B E H > S+ 0 0 172 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.898 120.1 46.8 -64.3 -37.9 0.5 -32.8 -2.5 628 324 B H H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 112.5 46.8 -68.1 -47.6 2.2 -33.9 -5.8 629 325 B N H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.782 112.2 50.9 -70.2 -28.1 4.0 -37.0 -4.3 630 326 B K H X S+ 0 0 47 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.929 113.0 45.9 -72.3 -42.5 0.9 -38.1 -2.4 631 327 B L H X S+ 0 0 93 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.885 111.3 53.5 -63.9 -40.0 -1.1 -37.8 -5.7 632 328 B K H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.797 108.1 49.0 -65.7 -35.0 1.8 -39.7 -7.6 633 329 B A H X S+ 0 0 1 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.887 110.2 51.3 -71.5 -40.0 1.6 -42.6 -5.1 634 330 B S H X S+ 0 0 68 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.818 113.5 46.2 -63.0 -33.4 -2.2 -42.8 -5.5 635 331 B Q H X S+ 0 0 30 -4,-1.6 4,-1.8 2,-0.2 27,-0.2 0.902 111.6 49.8 -74.4 -47.1 -1.5 -42.9 -9.3 636 332 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.910 112.3 48.0 -59.4 -45.3 1.3 -45.6 -9.1 637 333 B R H X S+ 0 0 27 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.864 109.6 53.5 -62.7 -40.4 -0.9 -47.8 -6.9 638 334 B D H X S+ 0 0 60 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.823 108.8 48.8 -63.5 -37.5 -3.9 -47.3 -9.4 639 335 B L H >X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 3,-0.6 0.882 110.9 50.6 -72.2 -36.3 -1.6 -48.5 -12.3 640 336 B L H 3X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 3,-0.3 0.923 106.0 55.2 -65.3 -40.4 -0.5 -51.5 -10.2 641 337 B S H 3< S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.657 113.4 43.1 -66.3 -17.0 -4.2 -52.3 -9.5 642 338 B K H << S+ 0 0 85 -3,-0.6 10,-2.2 -4,-0.6 -1,-0.2 0.648 119.7 40.2 -99.7 -25.6 -4.8 -52.4 -13.3 643 339 B M H < S+ 0 0 1 -4,-1.6 2,-1.6 -3,-0.3 -89,-0.2 0.841 106.4 62.8 -91.2 -42.4 -1.6 -54.3 -14.3 644 340 B L S < S+ 0 0 4 -4,-3.1 2,-0.4 -5,-0.2 -1,-0.2 -0.549 74.7 131.0 -87.0 70.9 -1.6 -56.9 -11.5 645 341 B V - 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