==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-JUL-10 3NWW . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 339 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 0 0 0 1 1 0 1 1 0 1 1 0 0 0 1 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 . 1 1 2 0 1 1 1 1 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 . 1 0 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 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 0 157 0, 0.0 89,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.9 -24.3 -2.7 8.4 2 6 A P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.120 360.0 -97.7 -71.4 172.8 -23.9 -3.7 12.1 3 7 A T - 0 0 86 2,-0.0 15,-2.6 0, 0.0 2,-0.4 -0.830 41.0-149.7 -90.9 124.8 -26.0 -2.7 15.1 4 8 A F E -A 17 0A 37 -2,-0.5 2,-0.4 13,-0.3 11,-0.0 -0.817 7.3-158.9 -99.8 135.3 -24.3 0.2 16.9 5 9 A Y E -A 16 0A 62 11,-2.4 11,-1.6 -2,-0.4 2,-0.3 -0.930 10.8-140.4-115.4 137.9 -24.6 0.9 20.7 6 10 A R E +A 15 0A 170 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.764 29.7 152.0 -99.4 141.3 -24.0 4.3 22.3 7 11 A Q E -A 14 0A 56 7,-1.5 7,-2.9 -2,-0.3 2,-0.4 -0.949 36.3-121.9-155.8 165.3 -22.2 4.9 25.7 8 12 A E E -A 13 0A 115 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.973 22.1-178.4-118.2 132.4 -20.1 7.6 27.4 9 13 A L E > S-A 12 0A 24 3,-3.1 3,-1.6 -2,-0.4 -2,-0.0 -0.979 75.1 -20.9-132.7 113.9 -16.6 7.0 28.7 10 14 A N T 3 S- 0 0 128 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.920 127.9 -48.7 49.4 59.2 -14.8 9.9 30.4 11 15 A K T 3 S+ 0 0 186 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.265 119.1 107.2 67.5 -5.0 -17.1 12.6 28.8 12 16 A T E < -A 9 0A 47 -3,-1.6 -3,-3.1 2,-0.0 2,-0.5 -0.839 67.8-130.3-103.9 138.6 -16.6 11.2 25.3 13 17 A I E -A 8 0A 40 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.776 17.9-159.2 -87.9 125.9 -19.5 9.3 23.5 14 18 A W E -A 7 0A 5 -7,-2.9 -7,-1.5 -2,-0.5 2,-0.6 -0.942 9.7-176.1-107.4 121.2 -18.5 5.9 21.9 15 19 A E E +A 6 0A 68 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.874 24.1 159.2-118.1 91.4 -20.8 4.5 19.2 16 20 A V E -A 5 0A 0 -11,-1.6 -11,-2.4 -2,-0.6 -2,-0.0 -0.840 45.7 -93.3-115.5 151.9 -19.4 1.1 18.4 17 21 A P E > -A 4 0A 3 0, 0.0 3,-2.2 0, 0.0 -13,-0.3 -0.271 43.2-108.3 -60.6 152.3 -20.8 -2.1 16.7 18 22 A E T 3 S+ 0 0 102 -15,-2.6 22,-0.1 1,-0.3 -14,-0.1 0.735 113.2 71.8 -53.8 -30.5 -22.3 -4.7 19.1 19 23 A R T 3 S+ 0 0 50 -16,-0.2 21,-2.6 1,-0.1 2,-1.0 0.713 82.3 79.9 -57.4 -27.2 -19.4 -7.2 18.5 20 24 A Y E < S-B 39 0B 0 -3,-2.2 3,-0.2 19,-0.2 2,-0.2 -0.776 72.7-179.4 -90.4 100.3 -17.2 -4.8 20.5 21 25 A Q E +B 38 0B 70 17,-3.3 17,-3.1 -2,-1.0 -2,-0.1 -0.681 46.2 15.8-103.7 158.5 -18.1 -5.6 24.2 22 26 A N E S- 0 0 112 -2,-0.2 -1,-0.2 15,-0.2 2,-0.2 0.880 71.9-156.9 49.6 56.8 -17.0 -4.3 27.6 23 27 A L E + 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.441 16.5 178.3 -62.3 124.3 -15.3 -1.0 26.5 24 28 A S E -B 36 0B 65 12,-2.4 12,-2.8 -2,-0.2 -15,-0.0 -0.986 31.9-109.4-135.5 125.6 -12.8 0.0 29.2 25 29 A P E +B 35 0B 57 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.276 34.1 172.1 -59.4 128.9 -10.5 3.2 29.0 26 30 A V E - 0 0 81 8,-2.6 2,-0.2 1,-0.4 9,-0.2 0.519 50.0 -94.0-109.5 -11.8 -6.8 2.4 28.5 27 31 A G E -B 34 0B 37 7,-1.1 7,-2.6 2,-0.0 -1,-0.4 -0.772 58.3 -25.0 128.8-176.0 -5.5 5.9 28.0 28 32 A S E -B 33 0B 119 -2,-0.2 5,-0.3 5,-0.2 2,-0.2 -0.546 51.7-170.6 -80.4 135.4 -4.5 8.5 25.4 29 33 A G E > -B 32 0B 25 3,-3.4 3,-1.4 -2,-0.2 2,-0.7 -0.587 45.3 -63.3-113.5 177.8 -3.6 7.5 21.8 30 34 A A T 3 S- 0 0 19 1,-0.3 3,-0.1 -2,-0.2 134,-0.1 -0.566 122.5 -13.8 -68.4 107.1 -2.1 9.4 18.8 31 35 A Y T 3 S+ 0 0 71 -2,-0.7 21,-3.3 1,-0.1 2,-0.3 0.745 136.1 24.1 70.1 32.3 -4.9 12.0 18.0 32 36 A G E < S-BC 29 51B 15 -3,-1.4 -3,-3.4 19,-0.3 2,-0.3 -0.978 86.5 -71.7 170.8-175.1 -7.6 10.3 20.2 33 37 A S E -BC 28 50B 46 17,-1.3 17,-2.4 -2,-0.3 2,-0.4 -0.816 36.6-142.6-109.7 146.3 -8.6 8.1 23.1 34 38 A V E -BC 27 49B 27 -7,-2.6 -8,-2.6 -2,-0.3 -7,-1.1 -0.909 10.7-167.2-115.6 138.6 -8.2 4.2 23.3 35 39 A C E -BC 25 48B 2 13,-2.9 13,-3.4 -2,-0.4 2,-0.2 -0.984 20.9-131.1-123.1 138.1 -10.5 1.6 24.9 36 40 A A E +BC 24 47B 3 -12,-2.8 -12,-2.4 -2,-0.4 2,-0.3 -0.570 40.2 171.7 -75.4 140.5 -9.8 -2.1 25.6 37 41 A A E - C 0 46B 0 9,-2.6 9,-2.8 -14,-0.2 2,-0.5 -0.957 34.7-120.6-148.9 162.9 -12.7 -4.2 24.3 38 42 A F E -BC 21 45B 77 -17,-3.1 -17,-3.3 -2,-0.3 2,-0.9 -0.954 22.0-145.3-110.1 124.2 -13.7 -7.8 23.7 39 43 A D E >>> -BC 20 44B 2 5,-2.9 4,-2.9 -2,-0.5 3,-0.7 -0.842 8.7-166.6 -94.9 106.1 -14.4 -8.7 20.1 40 44 A T T 345S+ 0 0 83 -21,-2.6 -1,-0.2 -2,-0.9 -20,-0.1 0.765 84.7 59.4 -60.1 -30.5 -17.2 -11.4 20.2 41 45 A K T 345S+ 0 0 149 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.786 124.4 15.9 -70.7 -34.6 -16.6 -12.2 16.5 42 46 A T T <45S- 0 0 67 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.591 93.3-125.3-114.3 -20.1 -13.0 -13.3 16.9 43 47 A G T <5 + 0 0 43 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.594 65.0 141.2 77.7 11.5 -12.7 -13.8 20.6 44 48 A L E < -C 39 0B 59 -5,-0.6 -5,-2.9 -6,-0.0 2,-0.5 -0.640 58.1-127.5 -86.0 145.2 -9.7 -11.3 20.5 45 49 A R E -C 38 0B 127 -2,-0.3 59,-2.1 -7,-0.2 2,-0.3 -0.831 43.6-170.8 -85.7 121.7 -9.1 -8.7 23.2 46 50 A V E -CD 37 103B 0 -9,-2.8 -9,-2.6 -2,-0.5 2,-0.5 -0.818 27.4-132.3-118.9 161.7 -8.8 -5.5 21.1 47 51 A A E -CD 36 102B 13 55,-2.7 55,-2.1 -2,-0.3 2,-0.5 -0.975 22.2-161.1-113.8 122.1 -7.9 -1.8 21.5 48 52 A V E -CD 35 101B 0 -13,-3.4 -13,-2.9 -2,-0.5 2,-0.5 -0.948 3.0-165.3-106.8 123.8 -10.4 0.7 19.9 49 53 A K E -CD 34 100B 21 51,-2.8 51,-2.7 -2,-0.5 2,-0.6 -0.948 5.6-158.8-112.9 124.4 -9.2 4.2 19.2 50 54 A K E -CD 33 99B 33 -17,-2.4 -17,-1.3 -2,-0.5 49,-0.2 -0.908 24.9-127.8 -97.8 118.1 -11.8 6.9 18.5 51 55 A L E -C 32 0B 4 47,-2.5 2,-0.5 -2,-0.6 47,-0.3 -0.373 20.2-121.6 -66.1 145.0 -10.0 9.7 16.6 52 56 A S S S- 0 0 59 -21,-3.3 4,-0.2 1,-0.2 -1,-0.1 -0.830 80.2 -26.2 -95.5 121.8 -10.5 13.2 18.2 53 57 A R S > S- 0 0 162 -2,-0.5 3,-1.5 1,-0.1 4,-0.3 0.900 77.5-175.5 42.0 59.7 -12.2 15.9 15.8 54 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 -1,-0.1 0.737 76.3 29.3 -60.9 -23.4 -10.8 13.9 12.8 55 59 A F T 3 S+ 0 0 16 41,-0.3 -2,-0.1 1,-0.1 270,-0.1 -0.076 82.0 115.0-125.7 29.0 -12.0 16.5 10.2 56 60 A Q S < S+ 0 0 110 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.1 0.850 88.5 1.1 -69.5 -35.8 -11.9 19.7 12.2 57 61 A S S > S- 0 0 39 -4,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.870 81.0 -97.5-141.8 170.9 -9.2 21.2 10.0 58 62 A I H > S+ 0 0 86 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.906 124.8 55.2 -58.1 -42.1 -7.1 20.3 6.9 59 63 A I H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 111.9 41.2 -58.1 -46.2 -4.3 19.2 9.3 60 64 A H H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.861 115.5 50.1 -70.5 -41.8 -6.7 16.8 11.2 61 65 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.922 112.2 47.3 -67.2 -40.4 -8.3 15.5 8.0 62 66 A K H X S+ 0 0 33 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.887 113.7 47.1 -66.1 -42.4 -4.9 14.8 6.3 63 67 A R H X S+ 0 0 43 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.806 109.7 53.6 -69.9 -30.6 -3.5 13.1 9.4 64 68 A T H X S+ 0 0 4 -4,-1.9 4,-2.4 -10,-0.4 -2,-0.2 0.937 113.0 44.3 -63.3 -50.9 -6.7 11.0 9.8 65 69 A Y H X S+ 0 0 12 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.909 113.9 51.1 -57.4 -49.7 -6.2 9.9 6.1 66 70 A R H X S+ 0 0 23 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.890 111.6 46.2 -56.6 -46.9 -2.5 9.3 6.8 67 71 A E H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.920 113.7 47.9 -67.0 -45.5 -3.0 7.1 9.8 68 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 112.4 48.9 -62.0 -43.2 -5.7 5.1 8.2 69 73 A R H X S+ 0 0 33 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.930 114.0 47.0 -60.8 -44.5 -3.6 4.5 5.0 70 74 A L H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 3,-0.5 0.938 113.1 47.0 -60.3 -53.0 -0.6 3.5 7.2 71 75 A L H < S+ 0 0 17 -4,-2.7 11,-1.2 1,-0.2 -1,-0.2 0.878 111.0 52.3 -58.3 -42.0 -2.6 1.1 9.3 72 76 A K H < S+ 0 0 40 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.763 112.0 48.1 -66.6 -26.1 -4.2 -0.5 6.3 73 77 A H H < S+ 0 0 37 -4,-1.3 2,-0.4 -3,-0.5 235,-0.2 0.819 88.3 92.2 -83.5 -39.1 -0.8 -1.1 4.7 74 78 A M < + 0 0 3 -4,-1.9 8,-0.4 6,-0.1 2,-0.2 -0.537 38.8 161.8 -70.8 117.8 1.1 -2.7 7.6 75 79 A K + 0 0 151 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.746 33.6 113.0-134.5 77.8 0.9 -6.5 7.7 76 80 A H B > -F 79 0C 17 3,-0.5 3,-1.1 -2,-0.2 57,-0.0 -0.980 69.1-122.0-150.5 149.1 3.7 -7.7 9.9 77 81 A E T 3 S+ 0 0 106 -2,-0.3 4,-0.1 1,-0.2 56,-0.1 0.686 112.1 42.6 -63.9 -29.4 4.0 -9.4 13.3 78 82 A N T 3 S+ 0 0 2 83,-0.1 84,-1.2 2,-0.1 2,-0.4 0.033 105.1 75.9-110.1 23.9 6.0 -6.6 15.0 79 83 A V B < S-Fg 76 162C 1 -3,-1.1 -3,-0.5 82,-0.3 84,-0.1 -0.998 87.5-111.9-135.9 129.7 4.0 -3.8 13.5 80 84 A I - 0 0 8 82,-2.5 2,-0.3 -2,-0.4 -6,-0.1 -0.369 43.2-176.7 -61.7 133.0 0.6 -2.6 14.6 81 85 A G - 0 0 18 -4,-0.1 2,-0.6 -8,-0.1 22,-0.3 -0.831 30.1 -90.2-128.4 168.7 -2.0 -3.4 11.9 82 86 A L + 0 0 17 -11,-1.2 20,-0.2 -8,-0.4 3,-0.1 -0.725 31.9 172.8 -88.9 117.1 -5.7 -2.7 11.4 83 87 A L S S- 0 0 23 18,-3.0 2,-0.3 -2,-0.6 19,-0.2 0.841 75.5 -15.4 -84.9 -35.0 -8.1 -5.4 12.6 84 88 A D E -E 101 0B 24 17,-1.3 17,-2.8 253,-0.1 -1,-0.4 -0.972 51.3-161.4-164.7 160.4 -11.1 -3.1 11.8 85 89 A V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.961 24.9 165.9-149.7 125.6 -12.2 0.5 11.0 86 90 A F E -E 99 0B 13 13,-2.1 13,-2.4 -2,-0.3 -2,-0.0 -0.922 23.6-162.3-143.1 167.6 -15.7 1.7 11.4 87 91 A T - 0 0 16 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.970 24.8-137.2-142.4 141.3 -17.9 4.8 11.5 88 92 A P S S+ 0 0 11 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.657 75.6 111.0 -72.8 -11.0 -21.5 5.0 12.9 89 93 A A - 0 0 14 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.341 54.8-162.6 -65.3 139.2 -22.2 7.2 9.8 90 94 A R S S+ 0 0 166 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.653 75.9 27.1 -94.4 -18.8 -24.5 5.8 7.0 91 95 A S S > S- 0 0 39 1,-0.1 4,-1.1 0, 0.0 3,-0.4 -0.945 78.8-114.1-140.8 161.7 -23.3 8.4 4.4 92 96 A L T 4 S+ 0 0 46 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.852 119.4 59.5 -57.6 -38.8 -20.3 10.6 3.6 93 97 A E T 4 S+ 0 0 157 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.882 111.2 39.1 -57.7 -42.4 -22.6 13.5 4.3 94 98 A E T 4 S+ 0 0 105 -3,-0.4 2,-0.3 -6,-0.0 -1,-0.2 0.588 89.3 124.4 -84.3 -18.3 -23.1 12.1 7.9 95 99 A F < + 0 0 0 -4,-1.1 3,-0.1 -3,-0.2 234,-0.1 -0.293 17.1 124.6 -56.1 107.1 -19.3 11.1 8.2 96 100 A N + 0 0 90 -2,-0.3 2,-0.4 1,-0.2 -41,-0.3 0.402 55.9 62.8-143.5 -5.5 -17.6 12.7 11.3 97 101 A D - 0 0 47 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.980 51.1-168.6-134.6 144.4 -16.2 9.9 13.4 98 102 A V - 0 0 0 -2,-0.4 -47,-2.5 -47,-0.3 2,-0.4 -0.999 3.2-171.3-133.7 125.9 -13.5 7.3 12.8 99 103 A Y E -DE 50 86B 0 -13,-2.4 -13,-2.1 -2,-0.4 2,-0.4 -0.972 7.7-161.4-119.3 133.1 -12.8 4.3 15.0 100 104 A L E -DE 49 85B 7 -51,-2.7 -51,-2.8 -2,-0.4 2,-0.4 -0.902 3.1-156.9-117.8 140.8 -9.7 2.2 14.5 101 105 A V E +DE 48 84B 1 -17,-2.8 -18,-3.0 -2,-0.4 -17,-1.3 -0.986 22.1 148.8-126.3 133.1 -9.3 -1.3 15.9 102 106 A T E -D 47 0B 21 -55,-2.1 -55,-2.7 -2,-0.4 -20,-0.1 -0.857 53.1 -60.1-143.1 179.2 -6.1 -3.3 16.6 103 107 A H E -D 46 0B 64 -22,-0.3 2,-0.5 -2,-0.3 -57,-0.3 -0.382 48.4-122.1 -65.5 140.4 -4.8 -6.0 19.0 104 108 A L - 0 0 39 -59,-2.1 2,-0.2 -67,-0.1 -59,-0.2 -0.765 32.0-151.9 -83.5 126.7 -4.9 -5.2 22.7 105 109 A M - 0 0 30 -2,-0.5 50,-0.2 1,-0.1 3,-0.1 -0.689 15.2-125.8-101.0 153.6 -1.3 -5.5 24.0 106 110 A G S S- 0 0 62 -2,-0.2 2,-0.3 48,-0.2 49,-0.2 0.920 77.3 -22.0 -66.1 -49.7 -0.3 -6.5 27.6 107 111 A A E -H 154 0C 39 47,-2.6 47,-2.8 3,-0.0 2,-0.3 -0.914 59.2-109.6-151.6 176.3 2.0 -3.6 28.5 108 112 A D E > -H 153 0C 39 -2,-0.3 4,-1.3 45,-0.2 3,-0.4 -0.763 32.7-116.3-109.3 158.6 4.3 -0.8 27.1 109 113 A L H > S+ 0 0 0 43,-2.2 4,-2.3 40,-1.4 41,-0.2 0.727 113.8 64.3 -64.7 -24.3 8.1 -0.9 27.3 110 114 A N H 4 S+ 0 0 79 39,-0.6 -1,-0.2 42,-0.3 40,-0.1 0.907 109.0 38.9 -62.7 -46.2 7.9 2.3 29.5 111 115 A N H 4 S+ 0 0 81 -3,-0.4 3,-0.2 1,-0.2 -2,-0.2 0.701 114.6 54.5 -80.7 -23.6 6.0 0.3 32.2 112 116 A I H >< S+ 0 0 45 -4,-1.3 3,-1.9 1,-0.2 -2,-0.2 0.893 102.5 54.8 -76.8 -43.8 8.2 -2.9 31.7 113 117 A V T 3< S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.470 105.6 54.8 -71.7 -0.4 11.6 -1.1 32.2 114 118 A K T 3 S+ 0 0 159 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.352 102.0 57.6-106.2 -1.5 10.2 0.2 35.6 115 119 A C S < S- 0 0 115 -3,-1.9 -2,-0.2 1,-0.4 -1,-0.1 -0.134 121.8-140.4-134.8 38.7 9.4 -3.5 36.7 116 120 A Q + 0 0 92 -3,-0.2 2,-0.6 2,-0.1 -1,-0.4 -0.243 47.5 26.0-150.2 -83.6 12.5 -3.5 36.0 117 121 A K - 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0 0 41 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.341 29.4-146.3 -56.7 134.4 17.7 6.7 30.6 209 222 A L S S+ 0 0 35 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.943 87.7 15.2 -73.0 -49.0 20.8 7.0 28.4 210 223 A F + 0 0 5 -36,-0.4 2,-2.0 -12,-0.1 -1,-0.2 -0.672 68.7 178.6-127.5 75.8 20.4 10.8 27.6 211 224 A P + 0 0 63 0, 0.0 -37,-0.1 0, 0.0 7,-0.0 -0.406 21.9 176.9 -79.2 66.9 17.9 12.4 30.0 212 225 A G - 0 0 5 -2,-2.0 -38,-0.1 1,-0.1 3,-0.1 -0.128 32.4-149.9 -66.9 163.5 18.2 16.0 28.6 213 226 A T S S- 0 0 115 1,-0.3 2,-0.3 -40,-0.1 -1,-0.1 0.590 79.2 -2.6-108.2 -24.0 16.1 19.1 29.7 214 227 A D S > S- 0 0 81 -41,-0.0 4,-2.5 1,-0.0 -1,-0.3 -0.909 88.7 -83.2-155.2 176.0 16.1 21.0 26.4 215 228 A H H > S+ 0 0 96 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.793 127.4 48.5 -57.7 -35.3 17.6 20.5 22.9 216 229 A I H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 113.5 44.9 -72.4 -47.2 21.0 22.0 23.9 217 230 A D H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.879 111.6 55.5 -63.9 -36.0 21.3 19.9 27.1 218 231 A Q H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.944 109.4 44.8 -61.3 -50.7 20.2 16.8 25.0 219 232 A L H X S+ 0 0 1 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.882 111.6 54.1 -58.7 -44.0 23.0 17.4 22.5 220 233 A K H X S+ 0 0 104 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.914 110.2 46.3 -56.3 -50.4 25.6 18.0 25.3 221 234 A L H X S+ 0 0 28 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.902 114.8 48.6 -61.3 -41.5 24.6 14.6 26.9 222 235 A I H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.9 0.941 111.3 46.9 -63.4 -52.2 24.9 12.9 23.6 223 236 A L H 3X S+ 0 0 3 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.786 102.4 65.8 -63.9 -28.5 28.3 14.4 22.6 224 237 A R H 3< S+ 0 0 113 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.824 114.8 31.0 -61.3 -33.4 29.6 13.5 26.1 225 238 A L H << S+ 0 0 10 -3,-0.9 30,-2.8 -4,-0.9 -2,-0.2 0.934 131.5 30.5 -88.2 -57.0 29.2 9.8 25.1 226 239 A V H < S- 0 0 17 -4,-2.6 28,-0.2 28,-0.2 -3,-0.2 0.571 108.7-118.3 -81.6 -13.0 29.7 9.8 21.3 227 240 A G < - 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0 0 113 1,-0.1 -1,-0.1 -22,-0.0 2,-0.1 -0.491 51.9-109.7 -65.4 125.2 33.9 22.2 24.2 251 264 A Q - 0 0 165 -2,-0.2 -1,-0.1 -3,-0.1 -4,-0.0 -0.422 40.1-172.2 -65.2 132.3 35.7 19.4 22.3 252 265 A M - 0 0 58 -2,-0.1 -24,-2.2 -23,-0.1 2,-0.2 -0.981 15.7-133.5-125.3 136.3 34.8 16.0 23.7 253 266 A P - 0 0 95 0, 0.0 -26,-0.4 0, 0.0 2,-0.4 -0.525 33.7 -95.9 -86.8 162.1 36.3 12.6 22.8 254 267 A K - 0 0 111 -28,-0.2 -28,-0.2 -2,-0.2 2,-0.2 -0.628 43.0-132.0 -73.2 127.4 34.2 9.5 22.0 255 268 A M - 0 0 87 -30,-2.8 2,-0.6 -2,-0.4 5,-0.1 -0.516 20.6-107.0 -79.1 151.2 34.0 7.4 25.2 256 269 A N > - 0 0 74 -2,-0.2 3,-0.9 1,-0.1 4,-0.3 -0.737 24.7-150.4 -79.3 113.9 34.7 3.6 25.1 257 270 A F G >> S+ 0 0 1 -2,-0.6 4,-3.3 1,-0.2 3,-1.4 0.797 93.7 65.3 -56.3 -33.1 31.1 2.0 25.4 258 271 A A G 34 S+ 0 0 46 1,-0.3 -1,-0.2 2,-0.2 5,-0.2 0.864 103.9 47.1 -56.8 -37.3 32.7 -1.1 27.2 259 272 A N G <4 S+ 0 0 119 -3,-0.9 -1,-0.3 1,-0.1 3,-0.2 0.488 117.4 43.6 -82.7 -6.2 33.6 1.3 30.0 260 273 A V T <4 S+ 0 0 51 -3,-1.4 2,-0.6 -4,-0.3 -2,-0.2 0.816 117.3 40.8-102.1 -49.6 30.1 2.8 30.0 261 274 A F S >< S+ 0 0 9 -4,-3.3 3,-1.3 3,-0.0 -1,-0.1 -0.490 85.7 177.1 -97.4 51.9 28.0 -0.3 29.7 262 275 A I T 3 + 0 0 135 -2,-0.6 3,-0.1 1,-0.2 -3,-0.1 -0.415 65.4 22.9 -65.4 134.9 30.2 -2.3 32.2 263 276 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.2 -5,-0.2 -5,-0.0 -0.084 96.5 123.1 98.0 -28.4 28.9 -5.8 32.9 264 277 A A S < S- 0 0 32 -3,-1.3 -1,-0.3 -6,-0.1 -3,-0.0 -0.186 76.9 -86.3 -65.9 154.9 26.9 -5.9 29.6 265 278 A N >> - 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