==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-08 3DT1 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.HERBERICH,R.SYED,V.LI,A.S.TASKER . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 61.8 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 . 42 11.8 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 . 2 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 . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 2 0 1 1 0 1 0 1 1 0 0 2 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 3 2 0 2 0 0 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 . 2 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 -3 A H 0 0 244 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.2 -12.4 -3.2 17.4 2 -2 A M - 0 0 177 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.806 360.0-162.6 67.2 123.5 -11.5 -3.0 21.1 3 -1 A L - 0 0 148 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.942 26.6-112.7-133.6 155.9 -10.7 0.1 23.2 4 0 A E - 0 0 169 -2,-0.3 3,-0.2 1,-0.2 -2,-0.0 -0.756 30.7-179.2 -89.5 98.0 -9.0 0.7 26.6 5 1 A M S S+ 0 0 169 -2,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.886 70.4 22.1 -66.4 -40.3 -11.8 2.0 28.8 6 2 A S - 0 0 98 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.970 67.9-149.8-137.2 122.8 -9.6 2.5 31.9 7 3 A Q - 0 0 164 -2,-0.4 2,-0.3 -3,-0.2 -3,-0.0 -0.707 24.3-128.3 -88.1 134.5 -5.9 3.0 32.2 8 4 A E - 0 0 180 -2,-0.4 -1,-0.0 1,-0.0 -2,-0.0 -0.658 14.2-129.9 -86.4 139.2 -4.3 1.7 35.4 9 5 A R - 0 0 103 -2,-0.3 3,-0.1 1,-0.0 -1,-0.0 -0.788 24.7-127.7 -92.1 111.2 -2.1 4.0 37.4 10 6 A P - 0 0 70 0, 0.0 2,-0.7 0, 0.0 -1,-0.0 -0.018 28.0-106.1 -49.7 157.8 1.3 2.2 38.3 11 7 A T - 0 0 76 2,-0.0 15,-2.1 1,-0.0 16,-0.1 -0.822 38.8-159.4 -98.3 116.8 2.2 2.3 41.9 12 8 A F E -A 25 0A 31 -2,-0.7 2,-0.3 13,-0.3 11,-0.1 -0.239 6.1-162.2 -83.9 173.8 5.0 4.7 42.7 13 9 A Y E -A 24 0A 68 11,-1.5 11,-1.7 9,-0.1 2,-0.2 -0.971 12.7-128.9-155.9 148.0 7.4 4.9 45.6 14 10 A R + 0 0 159 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.648 27.4 159.5-103.8 160.3 9.7 7.6 47.1 15 11 A Q - 0 0 60 7,-0.4 7,-2.5 -2,-0.2 2,-0.4 -0.887 39.5-111.2-171.0 143.1 13.4 7.7 48.0 16 12 A E E +B 21 0B 127 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.720 42.2 162.1 -88.3 131.7 15.8 10.5 48.5 17 13 A L E > +B 20 0B 24 3,-2.6 3,-1.6 -2,-0.4 -2,-0.1 -0.990 64.9 6.2-146.3 137.2 18.6 10.7 45.9 18 14 A N T 3 S- 0 0 65 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.919 127.1 -65.0 56.5 42.2 20.8 13.6 45.0 19 15 A K T 3 S+ 0 0 191 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.787 121.4 100.2 50.7 27.0 19.4 15.6 48.0 20 16 A T E < S-B 17 0B 37 -3,-1.6 -3,-2.6 -5,-0.0 2,-0.5 -0.998 79.2-109.2-142.3 142.9 16.1 15.5 46.1 21 17 A I E -B 16 0B 68 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.619 28.4-162.8 -80.3 126.9 13.0 13.3 46.4 22 18 A W - 0 0 1 -7,-2.5 2,-0.7 -2,-0.5 -7,-0.4 -0.891 8.5-177.1-112.6 106.0 12.4 10.8 43.6 23 19 A E + 0 0 43 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.1 -0.883 21.8 157.1-101.5 109.3 8.9 9.3 43.2 24 20 A V E -A 13 0A 2 -11,-1.7 -11,-1.5 -2,-0.7 2,-0.0 -0.855 47.1 -83.7-130.6 164.4 8.9 6.7 40.4 25 21 A P E > -A 12 0A 6 0, 0.0 3,-2.0 0, 0.0 -13,-0.3 -0.379 43.9-113.4 -64.5 144.8 6.9 3.7 39.3 26 22 A E T 3 S+ 0 0 113 -15,-2.1 22,-0.1 1,-0.3 -14,-0.1 0.569 108.4 76.9 -58.5 -8.1 7.9 0.4 41.0 27 23 A R T 3 S+ 0 0 58 20,-0.1 21,-1.7 21,-0.1 2,-0.6 0.831 81.5 76.5 -70.9 -31.5 9.1 -1.0 37.7 28 24 A Y E < +C 47 0C 1 -3,-2.0 2,-0.2 19,-0.2 19,-0.2 -0.714 68.1 174.0 -85.4 119.9 12.3 1.1 38.0 29 25 A Q E +C 46 0C 69 17,-3.1 17,-2.6 -2,-0.6 -2,-0.0 -0.688 45.7 28.8-120.9 173.3 14.8 -0.3 40.4 30 26 A N E S- 0 0 107 -2,-0.2 2,-0.3 15,-0.2 -1,-0.2 0.857 70.4-165.6 47.5 49.8 18.3 0.3 41.7 31 27 A L E + 0 0 15 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.479 10.7 177.5 -70.3 125.8 18.3 4.0 41.1 32 28 A S E -C 44 0C 66 12,-2.8 12,-3.0 -2,-0.3 -15,-0.0 -0.989 31.5-114.3-133.9 126.6 21.8 5.5 41.2 33 29 A P E +C 43 0C 49 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.290 35.4 167.8 -56.3 132.3 22.8 9.1 40.5 34 30 A V E - 0 0 89 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.417 59.6 -27.9-125.1 -8.6 25.0 9.6 37.5 35 31 A G E -C 42 0C 31 7,-1.2 7,-1.3 2,-0.0 -1,-0.3 -0.988 46.2-150.8 179.2-171.5 24.8 13.4 37.0 36 32 A S + 0 0 81 -2,-0.3 2,-0.2 5,-0.2 3,-0.1 -0.647 14.1 163.1-155.2-148.8 23.2 16.7 37.5 37 33 A G - 0 0 44 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.788 58.7 -73.8 139.3 178.1 22.9 20.2 35.8 38 34 A A S S+ 0 0 95 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.557 125.9 55.8 -84.4 -7.5 20.7 23.3 35.9 39 35 A Y S S- 0 0 80 1,-0.4 21,-1.5 -3,-0.1 2,-0.2 0.681 122.7 -65.2 -94.6 -24.7 18.0 21.4 33.9 40 36 A G E - D 0 59C 1 19,-0.3 -1,-0.4 -3,-0.1 19,-0.2 -0.830 53.3 -78.6 153.3 168.6 17.6 18.5 36.2 41 37 A S E - D 0 58C 24 17,-1.5 17,-2.4 -2,-0.2 2,-0.4 -0.554 33.9-141.9 -96.4 163.4 19.3 15.4 37.7 42 38 A V E -CD 35 57C 29 -7,-1.3 -8,-2.3 15,-0.2 -7,-1.2 -0.967 12.8-173.0-129.1 141.5 19.9 12.0 36.1 43 39 A C E -CD 33 56C 0 13,-2.7 13,-3.2 -2,-0.4 2,-0.3 -0.995 18.9-139.4-132.8 138.1 19.8 8.5 37.5 44 40 A A E +CD 32 55C 7 -12,-3.0 -12,-2.8 -2,-0.4 2,-0.3 -0.694 37.9 162.1 -88.1 148.3 20.8 5.1 36.0 45 41 A A E - D 0 54C 0 9,-2.3 9,-2.5 -2,-0.3 2,-0.5 -0.951 39.8-107.4-156.5 172.8 18.3 2.4 36.9 46 42 A F E -CD 29 53C 61 -17,-2.6 -17,-3.1 -2,-0.3 2,-1.2 -0.956 21.9-146.8-113.3 124.8 17.1 -1.0 35.9 47 43 A D E >>> -CD 28 52C 4 5,-2.9 4,-2.5 -2,-0.5 3,-1.8 -0.677 12.4-173.5 -92.5 86.6 13.7 -1.3 34.2 48 44 A T T 345S+ 0 0 74 -21,-1.7 -1,-0.2 -2,-1.2 -20,-0.1 0.781 82.1 63.7 -48.7 -31.6 12.3 -4.7 35.4 49 45 A K T 345S+ 0 0 153 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.864 122.6 16.5 -63.9 -35.3 9.4 -4.3 33.1 50 46 A T T <45S- 0 0 73 -3,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.443 95.7-125.1-115.7 -4.9 11.7 -4.4 30.0 51 47 A G T <5 + 0 0 50 -4,-2.5 2,-0.2 1,-0.2 -3,-0.2 0.623 68.2 133.4 69.3 9.6 14.9 -5.8 31.4 52 48 A L E < -D 47 0C 63 -5,-0.8 -5,-2.9 -6,-0.0 2,-0.6 -0.641 62.9-123.6 -94.4 150.1 16.7 -2.8 30.0 53 49 A R E -D 46 0C 125 -2,-0.2 59,-1.1 -7,-0.2 2,-0.3 -0.820 44.6-168.6 -87.3 124.7 19.2 -0.6 31.8 54 50 A V E -DE 45 111C 0 -9,-2.5 -9,-2.3 -2,-0.6 2,-0.5 -0.828 25.9-134.0-122.4 160.5 17.7 2.9 31.6 55 51 A A E -DE 44 110C 13 55,-2.7 55,-3.4 -2,-0.3 2,-0.5 -0.938 22.7-163.9-109.4 127.5 18.5 6.5 32.2 56 52 A V E -DE 43 109C 1 -13,-3.2 -13,-2.7 -2,-0.5 2,-0.5 -0.954 2.4-163.7-116.4 126.7 16.0 8.6 34.1 57 53 A K E -DE 42 108C 28 51,-2.5 51,-2.6 -2,-0.5 2,-0.7 -0.924 3.7-161.8-111.5 127.7 16.0 12.4 34.2 58 54 A K E -DE 41 107C 24 -17,-2.4 -17,-1.5 -2,-0.5 49,-0.2 -0.939 20.5-137.3-105.6 114.5 14.0 14.3 36.7 59 55 A L E -D 40 0C 6 47,-2.2 2,-0.6 -2,-0.7 47,-0.3 -0.427 17.3-129.0 -67.4 148.9 13.6 17.9 35.5 60 56 A S S S- 0 0 51 -21,-1.5 -1,-0.1 1,-0.2 45,-0.1 -0.910 77.6 -20.9-107.0 119.3 14.1 20.4 38.4 61 57 A R S > S- 0 0 173 -2,-0.6 3,-1.1 1,-0.1 -1,-0.2 0.956 74.9-177.8 48.0 61.5 11.3 23.0 38.8 62 58 A P T 3 S+ 0 0 5 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.685 75.4 39.0 -61.0 -23.8 10.0 22.6 35.3 63 59 A F T 3 S+ 0 0 23 41,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.262 75.7 116.2-124.3 45.9 7.3 25.3 35.5 64 60 A Q S < S- 0 0 79 -3,-1.1 2,-0.3 1,-0.2 -1,-0.1 0.452 86.0 -1.2 -93.3 -1.5 9.1 28.0 37.6 65 61 A S S > S- 0 0 36 -3,-0.2 4,-3.4 1,-0.2 5,-0.2 -0.947 78.0 -97.5-175.9 159.1 8.9 30.5 34.8 66 62 A I H > S+ 0 0 87 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.961 122.0 52.1 -54.2 -51.7 7.8 31.0 31.2 67 63 A I H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 116.9 39.0 -52.0 -45.6 11.3 30.3 29.9 68 64 A H H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.1 5,-0.3 0.971 114.4 53.9 -68.1 -54.7 11.6 27.1 31.9 69 65 A A H X S+ 0 0 0 -4,-3.4 4,-1.5 1,-0.2 3,-0.2 0.919 110.3 45.7 -45.8 -55.6 8.0 26.0 31.3 70 66 A K H X S+ 0 0 32 -4,-3.0 4,-2.9 -5,-0.2 3,-0.3 0.912 112.3 51.3 -58.6 -42.2 8.3 26.3 27.5 71 67 A R H X S+ 0 0 25 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.856 105.5 56.2 -63.2 -34.9 11.6 24.5 27.5 72 68 A T H X S+ 0 0 8 -4,-2.6 4,-1.4 -10,-0.4 -1,-0.2 0.848 111.5 43.7 -64.8 -33.3 10.1 21.6 29.5 73 69 A Y H X S+ 0 0 10 -4,-1.5 4,-2.6 -3,-0.3 -2,-0.2 0.928 111.1 54.9 -74.0 -48.0 7.4 21.3 26.8 74 70 A R H X S+ 0 0 37 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.866 107.9 48.6 -54.3 -42.0 10.0 21.6 24.1 75 71 A E H X S+ 0 0 9 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.935 109.5 51.0 -69.0 -44.0 12.1 18.7 25.5 76 72 A L H X S+ 0 0 1 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.938 112.1 48.1 -58.8 -45.2 9.1 16.4 25.8 77 73 A R H X S+ 0 0 40 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.945 110.9 50.6 -61.1 -47.4 8.1 17.1 22.2 78 74 A L H X S+ 0 0 7 -4,-2.4 4,-1.8 1,-0.2 3,-0.3 0.944 113.4 44.8 -55.7 -50.1 11.6 16.5 20.9 79 75 A L H < S+ 0 0 19 -4,-2.6 11,-1.0 1,-0.2 -1,-0.2 0.909 110.6 54.2 -62.3 -42.2 12.0 13.2 22.7 80 76 A K H < S+ 0 0 41 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.841 110.3 48.7 -60.4 -32.5 8.5 12.1 21.7 81 77 A H H < S+ 0 0 41 -4,-1.9 2,-0.3 -3,-0.3 244,-0.2 0.866 90.6 85.9 -78.1 -39.2 9.4 12.7 18.0 82 78 A M < + 0 0 3 -4,-1.8 8,-0.5 -5,-0.2 2,-0.2 -0.500 39.2 159.0 -74.2 125.4 12.7 11.0 17.7 83 79 A K + 0 0 165 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.642 33.0 113.6-144.1 79.1 12.6 7.3 16.9 84 80 A H B > -G 87 0D 19 3,-0.5 3,-1.6 -2,-0.2 57,-0.0 -0.988 68.9-116.9-150.5 145.0 16.0 6.3 15.4 85 81 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.836 111.9 42.3 -50.9 -44.6 18.9 4.1 16.5 86 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.1 51,-0.1 2,-0.4 0.288 103.8 77.2 -91.7 10.2 21.5 6.8 16.8 87 83 A V B < S-Gh 84 170D 1 -3,-1.6 -3,-0.5 82,-0.3 84,-0.1 -0.984 89.3-110.3-124.1 132.6 19.3 9.4 18.4 88 84 A I - 0 0 14 82,-2.3 2,-0.2 -2,-0.4 -6,-0.1 -0.354 46.4-171.0 -58.1 128.3 18.3 9.4 22.1 89 85 A G - 0 0 15 -4,-0.1 2,-0.7 -2,-0.1 22,-0.4 -0.762 27.5 -93.6-122.2 171.2 14.6 8.5 22.2 90 86 A L + 0 0 16 -11,-1.0 20,-0.2 -8,-0.5 3,-0.1 -0.753 33.8 171.1 -92.0 112.2 11.8 8.4 24.8 91 87 A L S S- 0 0 33 18,-2.3 2,-0.3 -2,-0.7 19,-0.2 0.732 73.8 -20.0 -85.6 -26.2 11.3 5.0 26.4 92 88 A D E -F 109 0C 17 17,-1.4 17,-3.2 262,-0.1 -1,-0.3 -0.946 52.6-162.0-173.1 159.0 8.8 6.4 29.0 93 89 A V E +F 108 0C 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.919 23.0 167.4-153.9 125.4 7.8 9.7 30.7 94 90 A F E -F 107 0C 15 13,-2.0 13,-2.6 -2,-0.3 3,-0.1 -0.915 22.7-158.3-140.9 166.1 5.8 9.9 33.9 95 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.994 19.2-141.9-142.9 135.5 4.7 12.2 36.7 96 92 A P S S+ 0 0 16 0, 0.0 -84,-0.1 0, 0.0 -1,-0.1 0.853 71.0 108.9 -70.9 -24.5 3.7 11.2 40.2 97 93 A A - 0 0 17 8,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.106 61.6-149.7 -49.8 143.2 0.9 13.9 40.2 98 94 A R S S+ 0 0 167 1,-0.2 2,-0.3 -89,-0.0 -1,-0.1 0.522 74.7 6.7 -93.7 -8.0 -2.6 12.5 40.0 99 95 A S S >> S- 0 0 30 1,-0.0 4,-2.6 0, 0.0 3,-0.6 -0.974 84.8 -91.2-164.1 165.2 -4.2 15.5 38.1 100 96 A L T 34 S+ 0 0 56 -2,-0.3 246,-0.1 1,-0.2 -3,-0.0 0.802 121.8 57.8 -53.7 -32.9 -3.2 18.8 36.4 101 97 A E T 34 S+ 0 0 149 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.913 112.8 37.8 -65.1 -45.4 -3.7 20.6 39.7 102 98 A E T <4 S+ 0 0 93 -3,-0.6 -2,-0.2 -6,-0.0 -1,-0.2 0.878 88.8 124.6 -72.0 -40.9 -1.2 18.5 41.6 103 99 A F < + 0 0 0 -4,-2.6 3,-0.1 1,-0.2 243,-0.1 0.162 15.5 129.3 -27.9 116.9 1.2 18.3 38.6 104 100 A N + 0 0 95 1,-0.3 2,-0.3 -42,-0.0 -41,-0.3 0.489 54.3 59.8-143.4 -30.6 4.7 19.5 39.4 105 101 A D - 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0 0 31 1,-0.1 4,-1.8 2,-0.1 5,-0.1 -0.434 62.8-157.6 -65.3 131.5 25.3 40.9 10.5 257 253 A E H > S+ 0 0 126 2,-0.2 4,-2.3 -2,-0.2 -1,-0.1 0.894 90.1 45.4 -76.4 -45.9 26.9 44.4 9.8 258 254 A S H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.935 117.5 46.7 -64.4 -44.6 29.3 44.6 12.8 259 255 A A H >> S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 3,-0.7 0.969 112.8 47.2 -59.2 -58.4 30.4 41.1 12.2 260 256 A R H 3X S+ 0 0 74 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.893 112.5 53.7 -49.4 -42.4 30.9 41.6 8.4 261 257 A N H 3X S+ 0 0 101 -4,-2.3 4,-1.0 1,-0.2 -1,-0.3 0.825 109.6 45.5 -63.0 -37.3 32.7 44.8 9.4 262 258 A Y H << S+ 0 0 77 -4,-1.8 4,-0.5 -3,-0.7 -2,-0.2 0.901 107.4 56.6 -75.8 -43.3 35.2 43.0 11.7 263 259 A I H >< S+ 0 0 6 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.920 102.7 56.9 -53.5 -47.3 36.0 40.1 9.4 264 260 A Q H 3< S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.916 100.6 57.0 -49.6 -50.5 37.1 42.5 6.7 265 261 A S T 3< S+ 0 0 87 -4,-1.0 2,-0.3 -3,-0.1 -1,-0.3 0.577 84.7 105.1 -61.4 -12.2 39.7 44.1 9.0 266 262 A L S < S- 0 0 21 -3,-1.9 -21,-0.0 -4,-0.5 -3,-0.0 -0.561 83.9-108.9 -76.5 135.0 41.4 40.7 9.6 267 263 A T - 0 0 119 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.356 44.3-116.1 -57.8 135.8 44.7 40.2 7.8 268 264 A Q + 0 0 145 -23,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.475 37.5 172.9 -83.6 152.7 44.0 37.7 5.0 269 265 A M - 0 0 64 -2,-0.2 -24,-1.7 -29,-0.1 3,-0.1 -0.966 27.2-109.6-158.7 139.0 45.5 34.2 4.7 270 266 A P - 0 0 115 0, 0.0 -26,-0.4 0, 0.0 2,-0.3 -0.146 43.0 -86.3 -67.8 161.2 45.1 31.0 2.5 271 267 A K - 0 0 104 -28,-0.3 -28,-0.2 1,-0.1 -29,-0.1 -0.508 47.9-125.1 -67.5 124.6 43.7 27.6 3.3 272 268 A M - 0 0 59 -30,-2.2 2,-0.8 -31,-0.3 -1,-0.1 -0.102 31.2 -92.3 -65.2 170.4 46.4 25.4 4.9 273 269 A N > - 0 0 93 1,-0.1 3,-2.1 2,-0.0 4,-0.4 -0.775 31.8-154.1 -88.4 107.3 47.1 21.9 3.4 274 270 A F G >> S+ 0 0 1 -2,-0.8 4,-2.1 1,-0.3 3,-1.2 0.795 90.4 63.8 -54.6 -31.3 44.9 19.5 5.3 275 271 A A G 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.674 101.5 53.1 -66.7 -17.0 47.3 16.5 4.7 276 272 A N G <4 S+ 0 0 127 -3,-2.1 -1,-0.2 3,-0.1 3,-0.2 0.493 114.0 40.0 -95.3 -7.7 49.9 18.4 6.8 277 273 A V T <4 S+ 0 0 51 -3,-1.2 2,-1.1 -4,-0.4 -2,-0.2 0.823 117.4 41.8-104.7 -50.0 47.6 18.9 9.8 278 274 A F S >< S+ 0 0 2 -4,-2.1 3,-0.6 3,-0.0 -1,-0.2 -0.564 88.2 177.3 -97.6 65.9 45.7 15.6 10.1 279 275 A I T 3 + 0 0 135 -2,-1.1 3,-0.1 1,-0.2 -3,-0.1 -0.328 56.2 27.6 -75.6 154.1 48.7 13.5 9.4 280 276 A G T 3 S+ 0 0 81 1,-0.3 2,-0.4 -5,-0.2 -1,-0.2 0.771 92.9 138.2 67.5 27.4 48.7 9.7 9.5 281 277 A A < - 0 0 17 -3,-0.6 -1,-0.3 -6,-0.2 5,-0.1 -0.832 69.9 -93.4-107.9 142.3 45.0 9.9 8.6 282 278 A N >> - 0 0 49 -2,-0.4 4,-1.9 1,-0.2 3,-0.8 -0.282 39.0-130.1 -46.7 130.5 43.2 7.7 6.1 283 279 A P H 3> S+ 0 0 102 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.848 107.7 58.2 -58.4 -34.1 43.5 9.8 2.9 284 280 A L H 3> S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.832 104.1 53.1 -63.8 -32.7 39.8 9.4 2.3 285 281 A A H <> S+ 0 0 0 -3,-0.8 4,-2.9 2,-0.2 5,-0.3 0.960 103.5 54.7 -66.3 -51.6 39.2 10.9 5.8 286 282 A V H X S+ 0 0 18 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.898 108.8 50.4 -48.2 -42.0 41.3 13.9 4.9 287 283 A D H X S+ 0 0 58 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.937 108.8 49.7 -64.5 -46.6 39.0 14.4 1.9 288 284 A L H >X S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 4,-0.7 0.906 109.5 53.5 -59.8 -39.4 35.8 14.2 3.9 289 285 A L H >X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.3 3,-0.6 0.843 102.2 56.7 -64.6 -34.3 37.3 16.8 6.4 290 286 A E H 3< S+ 0 0 61 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.646 109.8 47.2 -72.1 -11.5 38.0 19.2 3.6 291 287 A K H << S+ 0 0 87 -3,-1.1 10,-2.7 -4,-0.7 -1,-0.2 0.515 115.5 44.0-102.3 -10.4 34.3 19.0 2.7 292 288 A M H << S+ 0 0 0 -4,-0.7 2,-0.9 -3,-0.6 -2,-0.2 0.740 106.7 61.7-100.7 -32.0 33.2 19.4 6.3 293 289 A L < + 0 0 4 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.475 69.7 126.1 -99.7 65.5 35.6 22.3 7.3 294 290 A V - 0 0 39 -2,-0.9 5,-0.1 -3,-0.2 6,-0.0 -0.974 56.7-137.8-121.7 130.6 34.5 25.1 4.9 295 291 A L S S+ 0 0 18 -2,-0.4 2,-0.5 -52,-0.2 -99,-0.2 0.883 85.2 76.1 -55.0 -44.8 33.7 28.5 6.2 296 292 A D > - 0 0 17 1,-0.2 3,-1.0 3,-0.1 -2,-0.1 -0.589 67.4-156.4 -74.7 121.9 30.7 29.1 4.0 297 293 A S G > S+ 0 0 2 -2,-0.5 3,-1.2 1,-0.2 -1,-0.2 0.783 91.5 64.6 -67.8 -27.9 27.6 27.1 5.2 298 294 A D G 3 S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.1 0.763 108.7 40.9 -65.5 -24.4 26.1 27.1 1.7 299 295 A K G < S+ 0 0 147 -3,-1.0 2,-0.3 -5,-0.1 -1,-0.2 0.115 88.8 111.9-110.9 20.8 29.1 25.0 0.5 300 296 A R S < S- 0 0 9 -3,-1.2 -8,-0.2 1,-0.1 -93,-0.1 -0.731 75.3-103.0 -95.2 143.5 29.5 22.6 3.4 301 297 A I - 0 0 18 -10,-2.7 2,-0.2 -2,-0.3 -91,-0.1 -0.230 35.2-130.8 -62.8 152.8 28.7 18.9 2.9 302 298 A T > - 0 0 44 1,-0.1 4,-2.5 -92,-0.0 5,-0.1 -0.578 21.8-107.5 -99.9 167.8 25.4 17.7 4.2 303 299 A A H > S+ 0 0 3 1,-0.2 4,-1.1 -2,-0.2 -160,-0.2 0.898 119.0 46.3 -62.3 -40.6 24.8 14.6 6.3 304 300 A A H > S+ 0 0 50 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.857 113.1 48.6 -71.6 -35.7 23.1 12.6 3.5 305 301 A Q H >4 S+ 0 0 112 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.957 110.6 53.3 -64.9 -47.9 25.8 13.5 1.0 306 302 A A H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.3 6,-0.3 0.689 98.6 61.0 -59.5 -28.2 28.5 12.5 3.5 307 303 A L H 3< S+ 0 0 1 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.842 102.1 55.9 -69.2 -29.6 27.1 9.1 4.1 308 304 A A T << S+ 0 0 66 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.529 84.0 116.5 -77.1 -8.5 27.8 8.6 0.4 309 305 A H S X S- 0 0 18 -3,-0.8 3,-2.3 -4,-0.2 7,-0.1 -0.427 77.2-119.6 -69.5 137.4 31.4 9.4 0.8 310 306 A A G > S+ 0 0 53 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.647 107.4 70.1 -46.0 -25.6 34.0 6.7 0.1 311 307 A Y G 3 S+ 0 0 4 -27,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.835 100.8 45.0 -65.6 -33.4 35.3 6.8 3.7 312 308 A F G X> S+ 0 0 0 -3,-2.3 4,-3.0 -6,-0.3 3,-2.0 0.163 77.5 121.5 -97.6 21.0 32.1 5.3 5.0 313 309 A A T <4 S+ 0 0 76 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.772 70.9 52.9 -53.0 -34.7 32.1 2.6 2.3 314 310 A Q T 34 S+ 0 0 126 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.567 122.5 29.3 -80.1 -9.1 32.1 -0.3 4.7 315 311 A Y T <4 S+ 0 0 48 -3,-2.0 -2,-0.2 -8,-0.1 2,-0.2 0.619 87.7 112.1-121.8 -24.0 29.1 1.1 6.7 316 312 A H < + 0 0 67 -4,-3.0 5,-0.0 -7,-0.1 -8,-0.0 -0.342 30.4 162.9 -60.6 122.2 27.0 3.0 4.1 317 313 A D > - 0 0 73 -2,-0.2 3,-1.5 1,-0.1 -1,-0.1 -0.823 19.5-169.3-142.9 98.6 23.7 1.3 3.4 318 314 A P G > S+ 0 0 81 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.840 87.8 62.7 -58.9 -33.9 21.1 3.6 1.8 319 315 A D G 3 S+ 0 0 157 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.186 111.8 39.7 -78.7 23.7 18.4 1.1 2.3 320 316 A D G < S+ 0 0 73 -3,-1.5 -1,-0.3 1,-0.1 -3,-0.0 0.078 83.5 95.3-159.5 30.0 19.0 1.6 6.1 321 317 A E < - 0 0 11 -3,-1.2 -1,-0.1 -5,-0.0 -14,-0.0 -0.733 66.7-160.7-127.2 76.0 19.6 5.3 6.7 322 318 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.043 9.1-144.2 -55.0 158.4 16.0 6.3 7.7 323 319 A V - 0 0 92 -176,-0.1 2,-0.2 -177,-0.1 -179,-0.1 -0.841 18.0-120.6-123.6 162.3 14.5 9.8 7.7 324 320 A A - 0 0 15 -180,-0.5 -242,-0.1 -2,-0.3 3,-0.1 -0.486 24.6-102.7 -98.8 170.3 12.0 11.2 10.1 325 321 A D - 0 0 125 -244,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.421 59.1 -80.9 -80.1 165.7 8.5 12.6 9.7 326 322 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 -178,-0.1 -0.516 44.1-125.3 -74.3 142.3 8.4 16.4 9.8 327 323 A Y - 0 0 17 -179,-0.7 2,-1.2 -2,-0.2 -249,-0.0 -0.731 16.0-135.3 -85.7 128.4 8.4 17.8 13.4 328 324 A D + 0 0 98 -2,-0.4 3,-0.4 1,-0.1 2,-0.1 -0.684 35.0 164.1 -89.4 92.6 5.5 20.2 14.0 329 325 A Q > + 0 0 81 -2,-1.2 3,-0.6 1,-0.2 4,-0.2 -0.201 31.6 119.0-105.2 45.1 7.1 23.1 15.8 330 326 A S G > + 0 0 73 1,-0.2 3,-2.5 2,-0.2 -1,-0.2 0.862 68.8 68.5 -72.7 -35.0 4.4 25.8 15.5 331 327 A F G > S+ 0 0 8 -3,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.757 85.1 74.1 -53.0 -25.5 4.1 25.9 19.3 332 328 A E G < S+ 0 0 54 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.695 90.9 54.4 -64.7 -20.0 7.6 27.5 19.1 333 329 A S G < S+ 0 0 106 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.3 -0.016 92.2 102.0-104.8 31.0 6.2 30.7 17.9 334 330 A R < - 0 0 120 -3,-1.4 2,-0.5 2,-0.0 -3,-0.0 -0.816 57.6-151.0-115.9 156.1 3.8 31.2 20.8 335 331 A D + 0 0 158 -2,-0.3 2,-0.2 0, 0.0 -3,-0.0 -0.883 34.8 158.9-124.8 95.8 3.7 33.3 23.9 336 332 A L - 0 0 18 -2,-0.5 -266,-0.1 1,-0.1 2,-0.1 -0.672 39.6-100.7-114.7 169.4 1.8 31.5 26.6 337 333 A L > - 0 0 110 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.363 39.5-101.2 -83.1 167.4 1.6 31.7 30.4 338 334 A I H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.942 123.9 50.5 -55.7 -46.4 3.3 29.2 32.7 339 335 A D H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.800 108.9 51.1 -65.1 -26.4 0.0 27.4 33.3 340 336 A E H > S+ 0 0 88 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.912 113.0 44.3 -75.6 -41.9 -0.7 27.1 29.6 341 337 A W H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.916 115.8 50.0 -64.8 -43.0 2.8 25.6 28.8 342 338 A K H X S+ 0 0 28 -4,-2.8 4,-3.4 -5,-0.3 5,-0.2 0.965 109.6 49.6 -58.5 -55.6 2.3 23.4 31.9 343 339 A S H X S+ 0 0 42 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.928 111.8 48.5 -51.3 -51.8 -1.2 22.2 30.8 344 340 A L H X S+ 0 0 45 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.923 113.0 48.6 -56.4 -44.3 0.2 21.4 27.3 345 341 A T H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.943 108.4 53.5 -61.6 -45.2 3.0 19.5 28.9 346 342 A Y H >X S+ 0 0 34 -4,-3.4 4,-1.9 1,-0.2 3,-0.6 0.892 108.2 51.1 -55.1 -43.1 0.6 17.7 31.1 347 343 A D H 3X S+ 0 0 84 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.906 105.7 54.7 -61.5 -43.0 -1.4 16.6 28.1 348 344 A E H 3< S+ 0 0 39 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.725 109.4 50.0 -64.2 -21.4 1.7 15.3 26.4 349 345 A V H X< S+ 0 0 12 -4,-1.2 3,-1.6 -3,-0.6 -2,-0.2 0.925 109.5 44.9 -83.4 -50.2 2.5 13.1 29.4 350 346 A I H 3< S+ 0 0 93 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.586 114.1 54.6 -71.6 -8.0 -0.8 11.4 30.0 351 347 A S T 3< S+ 0 0 67 -4,-0.9 2,-0.5 -5,-0.2 -1,-0.3 0.160 79.3 120.3-109.3 15.7 -1.0 10.8 26.2 352 348 A F < - 0 0 28 -3,-1.6 -259,-0.1 -259,-0.1 -3,-0.1 -0.728 48.3-156.5 -87.8 127.9 2.3 9.0 25.9 353 349 A V - 0 0 120 -2,-0.5 -2,-0.0 -261,-0.1 -3,-0.0 -0.905 21.3-120.7-106.4 116.5 2.2 5.5 24.5 354 350 A P - 0 0 72 0, 0.0 -262,-0.1 0, 0.0 -263,-0.1 -0.120 34.2-102.2 -51.2 140.6 5.2 3.2 25.5 355 351 A P 0 0 62 0, 0.0 -264,-0.0 0, 0.0 0, 0.0 -0.207 360.0 360.0 -64.5 162.0 7.2 1.8 22.6 356 352 A P 0 0 182 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.267 360.0 360.0 -68.4 360.0 6.7 -1.8 21.5