==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-APR-12 4EJN . COMPND 2 MOLECULE: RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.EATHIRAJ . 376 5 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 3 0 0 1 0 2 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 1 2 1 2 0 1 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 1 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 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 4 A V 0 0 130 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -75.3 45.8 28.0 32.3 2 5 A A - 0 0 54 1,-0.0 26,-2.9 2,-0.0 2,-0.3 -0.787 360.0-125.2-112.5 139.7 43.4 26.8 35.0 3 6 A I E +A 27 0A 71 -2,-0.3 24,-0.3 24,-0.2 3,-0.1 -0.582 22.5 179.5 -72.3 133.0 39.6 26.2 35.3 4 7 A V E + 0 0 72 22,-2.8 2,-0.3 1,-0.4 23,-0.2 0.758 69.8 10.3-103.2 -39.2 38.0 28.1 38.2 5 8 A K E +A 26 0A 66 21,-1.5 21,-3.0 88,-0.0 -1,-0.4 -0.997 63.3 175.4-142.4 142.6 34.4 27.0 37.7 6 9 A E E +A 25 0A 103 -2,-0.3 2,-0.2 19,-0.2 19,-0.2 -0.983 24.1 97.7-144.1 153.7 32.7 24.4 35.5 7 10 A G E -A 24 0A 16 17,-1.5 17,-2.2 -2,-0.3 2,-0.1 -0.787 64.8 -52.3 149.3 167.9 29.1 23.1 35.2 8 11 A W E +A 23 0A 123 -2,-0.2 2,-0.3 15,-0.2 15,-0.2 -0.400 46.2 177.4 -72.7 144.5 25.8 23.3 33.2 9 12 A L E -A 22 0A 1 13,-2.2 13,-3.2 -2,-0.1 2,-0.6 -0.991 31.7-121.7-143.0 143.7 24.0 26.5 32.5 10 13 A H E -AB 21 80A 49 70,-2.2 70,-2.7 -2,-0.3 2,-0.4 -0.798 33.7-165.4 -83.1 122.7 20.9 27.4 30.6 11 14 A K E -AB 20 79A 16 9,-2.2 9,-1.6 -2,-0.6 2,-0.4 -0.939 25.0-115.4-113.8 132.1 21.9 29.9 27.9 12 15 A R E -A 19 0A 26 66,-2.1 2,-0.6 -2,-0.4 66,-0.3 -0.552 33.0-131.4 -65.5 117.4 19.4 32.0 25.9 13 16 A G E > -A 18 0A 15 5,-4.1 5,-0.7 -2,-0.4 -1,-0.1 -0.667 16.6-159.0 -81.9 116.3 19.7 30.8 22.3 14 17 A E T 5S+ 0 0 45 -2,-0.6 3,-0.3 3,-0.1 231,-0.2 0.847 78.9 20.5 -67.9 -44.1 20.0 33.8 20.0 15 18 A Y T 5S+ 0 0 14 248,-0.3 2,-0.8 1,-0.3 -1,-0.1 0.864 127.9 40.9-101.2 -43.8 18.9 32.6 16.5 16 19 A I T 5S- 0 0 85 247,-0.4 -1,-0.3 2,-0.1 -3,-0.1 -0.787 102.7-122.9-105.9 84.6 16.9 29.4 17.1 17 20 A K T 5 + 0 0 87 -2,-0.8 2,-0.3 -3,-0.3 -3,-0.1 0.053 60.8 117.1 -39.1 108.2 14.9 30.7 20.2 18 21 A T E < -A 13 0A 71 -5,-0.7 -5,-4.1 -7,-0.1 2,-0.6 -0.973 67.7-119.3-161.2 160.9 15.5 28.3 23.1 19 22 A W E -A 12 0A 135 -2,-0.3 -7,-0.2 -7,-0.2 -2,-0.0 -0.905 47.0-177.5-104.2 92.3 17.0 27.9 26.6 20 23 A R E -A 11 0A 22 -9,-1.6 -9,-2.2 -2,-0.6 2,-0.3 -0.802 27.6-118.2 -95.4 131.9 19.5 25.2 25.6 21 24 A P E -A 10 0A 66 0, 0.0 2,-0.4 0, 0.0 -11,-0.2 -0.534 35.0-174.9 -67.1 127.8 21.8 23.7 28.3 22 25 A R E -A 9 0A 32 -13,-3.2 -13,-2.2 -2,-0.3 2,-0.7 -0.977 26.8-127.9-124.6 141.5 25.5 24.3 27.7 23 26 A Y E -AC 8 35A 42 12,-2.3 12,-3.0 -2,-0.4 2,-0.3 -0.801 37.2-162.4 -88.0 114.5 28.4 23.0 29.6 24 27 A F E -AC 7 34A 3 -17,-2.2 -17,-1.5 -2,-0.7 2,-0.5 -0.733 16.7-159.7-105.6 145.3 30.5 26.1 30.5 25 28 A L E -AC 6 33A 11 8,-2.2 8,-1.6 -2,-0.3 2,-0.5 -0.983 3.2-163.0-121.7 119.1 34.1 26.6 31.7 26 29 A L E -AC 5 32A 0 -21,-3.0 -22,-2.8 -2,-0.5 -21,-1.5 -0.877 20.7-164.2 -92.0 130.9 35.2 29.7 33.5 27 30 A K E > -A 3 0A 54 4,-2.6 3,-1.7 -2,-0.5 -24,-0.2 -0.815 33.9-111.0-121.3 159.5 39.0 30.0 33.4 28 31 A N T 3 S+ 0 0 58 -26,-2.9 -25,-0.1 -2,-0.3 -1,-0.0 0.591 115.5 60.2 -61.7 -16.1 41.7 32.0 35.2 29 32 A D T 3 S- 0 0 78 -27,-0.2 -1,-0.3 2,-0.1 20,-0.1 0.696 124.3 -99.0 -83.4 -20.4 42.4 34.0 32.0 30 33 A G S < S+ 0 0 3 -3,-1.7 18,-1.1 1,-0.4 -2,-0.1 0.142 75.0 146.1 119.3 -15.0 38.8 35.4 31.8 31 34 A T B +F 47 0B 21 16,-0.2 -4,-2.6 17,-0.1 -1,-0.4 -0.250 22.6 179.0 -55.8 135.8 37.6 32.8 29.3 32 35 A F E +C 26 0A 0 14,-1.3 2,-0.4 -6,-0.2 -6,-0.2 -0.767 12.6 166.6-143.3 89.8 33.9 31.7 29.6 33 36 A I E -C 25 0A 17 -8,-1.6 -8,-2.2 -2,-0.2 2,-0.5 -0.879 24.4-150.3-115.3 144.4 32.9 29.2 26.9 34 37 A G E -C 24 0A 9 -2,-0.4 -10,-0.3 -10,-0.2 2,-0.2 -0.940 13.9-164.2-116.0 116.6 29.8 26.9 26.6 35 38 A Y E -C 23 0A 54 -12,-3.0 -12,-2.3 -2,-0.5 3,-0.0 -0.574 30.5-120.6 -96.2 156.3 30.1 23.6 24.8 36 39 A K S S+ 0 0 44 -2,-0.2 2,-0.3 -14,-0.2 -1,-0.1 0.895 102.5 14.4 -59.4 -42.1 27.3 21.4 23.4 37 40 A E S S- 0 0 147 -14,-0.1 -2,-0.1 -15,-0.1 -14,-0.1 -0.855 109.7 -73.4-124.1 162.0 28.6 18.5 25.6 38 41 A R 0 0 55 -2,-0.3 -14,-0.1 1,-0.1 -2,-0.1 -0.442 360.0 360.0 -53.6 119.9 31.1 18.5 28.5 39 42 A P 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.270 360.0 360.0 -69.9 360.0 34.4 19.1 26.5 40 ! 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 41 50 A A 0 0 110 0, 0.0 174,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.1 43.9 29.9 21.5 42 51 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 227,-0.0 -0.028 360.0-142.6 -57.8 160.0 41.6 32.1 23.7 43 52 A L > - 0 0 14 1,-0.1 3,-1.5 173,-0.0 173,-0.2 -0.993 12.9-142.0-129.3 134.3 39.4 35.0 22.4 44 53 A N G > S+ 0 0 94 171,-2.6 3,-1.5 -2,-0.4 172,-0.1 0.713 97.0 75.5 -66.0 -20.8 38.7 38.3 24.3 45 54 A N G 3 S+ 0 0 25 170,-0.4 -1,-0.3 1,-0.3 171,-0.1 0.741 100.8 40.9 -58.7 -28.2 35.2 38.1 22.9 46 55 A F G < S+ 0 0 35 -3,-1.5 -14,-1.3 -13,-0.0 -1,-0.3 0.179 94.0 113.2-110.2 13.3 34.3 35.4 25.4 47 56 A S B < -F 31 0B 13 -3,-1.5 -16,-0.2 -16,-0.2 -17,-0.1 -0.482 56.4-153.0 -83.5 156.0 36.2 37.0 28.3 48 57 A V > + 0 0 4 -18,-1.1 3,-2.3 -2,-0.2 -1,-0.1 0.405 53.7 129.0-106.5 -2.0 34.6 38.4 31.4 49 58 A A T 3 S+ 0 0 48 1,-0.3 -2,-0.1 -20,-0.1 49,-0.1 -0.351 85.0 1.2 -54.4 125.2 37.4 40.9 32.0 50 59 A Q T 3 S+ 0 0 196 1,-0.2 19,-0.3 18,-0.1 -1,-0.3 0.525 102.9 138.4 70.4 11.0 35.9 44.4 32.5 51 60 A a < - 0 0 23 -3,-2.3 2,-0.5 17,-0.1 17,-0.2 -0.413 52.0-123.1 -86.1 162.4 32.3 43.1 32.1 52 61 A Q E -D 67 0A 88 15,-3.4 15,-3.2 -2,-0.1 2,-0.4 -0.912 19.8-152.2-110.2 129.9 29.2 44.0 34.1 53 62 A L E -D 66 0A 33 -2,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.846 14.4-174.5-107.7 130.4 27.2 41.3 35.9 54 63 A M E -D 65 0A 55 11,-2.0 11,-2.2 -2,-0.4 2,-0.4 -0.985 16.4-146.6-136.0 132.5 23.5 41.7 36.6 55 64 A K E +D 64 0A 72 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.789 27.9 164.6 -95.8 131.4 20.9 39.7 38.5 56 65 A T E -D 63 0A 45 7,-2.1 7,-1.5 -2,-0.4 4,-0.0 -0.966 36.8-155.7-142.8 160.8 17.3 39.6 37.2 57 66 A E + 0 0 95 -2,-0.3 -1,-0.1 5,-0.2 7,-0.1 0.335 59.3 121.1-114.9 -0.4 14.1 37.5 37.7 58 67 A R S S+ 0 0 68 1,-0.1 2,-0.1 5,-0.1 -1,-0.0 -0.959 79.6 0.7-117.1 136.7 12.6 38.4 34.3 59 68 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.929 142.7 10.8 -78.9 -27.5 11.8 36.6 32.1 60 69 A R S > S- 0 0 21 -2,-0.1 3,-0.7 1,-0.1 -4,-0.1 -0.814 85.0-102.4-111.0 148.2 12.8 33.5 34.2 61 70 A P T 3 S+ 0 0 79 0, 0.0 20,-0.3 0, 0.0 -4,-0.2 -0.294 102.5 25.1 -62.5 154.1 13.8 33.3 37.9 62 71 A N T 3 S+ 0 0 19 1,-0.2 19,-1.3 18,-0.1 2,-0.2 0.760 87.1 155.5 61.1 31.3 17.5 33.1 38.8 63 72 A T E < -DE 56 80A 2 -7,-1.5 -7,-2.1 -3,-0.7 2,-0.3 -0.563 21.0-171.5 -83.5 146.2 18.6 34.7 35.5 64 73 A F E -DE 55 79A 1 15,-3.1 15,-3.2 -9,-0.2 2,-0.4 -0.993 9.1-150.9-137.9 156.0 21.9 36.6 35.1 65 74 A I E -DE 54 78A 25 -11,-2.2 -11,-2.0 -2,-0.3 2,-0.7 -0.982 6.0-156.5-127.8 127.4 23.5 38.7 32.4 66 75 A I E -DE 53 77A 2 11,-2.3 11,-1.5 -2,-0.4 2,-0.6 -0.905 21.3-173.2 -98.0 107.7 27.1 39.3 31.4 67 76 A R E -DE 52 76A 17 -15,-3.2 -15,-3.4 -2,-0.7 2,-0.4 -0.911 4.0-176.4-108.5 122.8 27.3 42.7 29.7 68 77 A a E - E 0 75A 12 7,-3.2 7,-2.8 -2,-0.6 2,-0.8 -0.927 28.0-143.9-123.0 139.5 30.5 43.7 28.1 69 78 A L E - E 0 74A 72 -2,-0.4 2,-0.8 -19,-0.3 5,-0.2 -0.908 26.0-170.2 -92.2 107.3 31.8 46.8 26.3 70 79 A Q E > - E 0 73A 41 3,-3.2 3,-1.9 -2,-0.8 2,-0.8 -0.875 60.3 -56.0-107.3 103.0 34.1 45.3 23.7 71 80 A W T 3 S- 0 0 96 -2,-0.8 -2,-0.0 1,-0.3 77,-0.0 -0.536 124.5 -20.6 63.0-102.0 36.1 48.1 22.0 72 81 A T T 3 S+ 0 0 0 -2,-0.8 2,-0.4 2,-0.0 -1,-0.3 0.177 123.3 85.7-117.3 20.8 33.1 50.2 20.8 73 82 A T E < - E 0 70A 29 -3,-1.9 -3,-3.2 66,-0.0 2,-0.6 -0.951 68.7-130.8-131.2 136.7 30.3 47.6 20.9 74 83 A V E - E 0 69A 11 -2,-0.4 2,-0.4 166,-0.3 -5,-0.2 -0.773 27.1-174.3 -90.1 125.6 28.0 46.3 23.6 75 84 A I E - E 0 68A 61 -7,-2.8 -7,-3.2 -2,-0.6 2,-0.4 -0.958 1.8-173.3-122.7 134.4 27.9 42.5 23.8 76 85 A E E - E 0 67A 25 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.975 14.0-173.5-132.5 143.7 25.5 40.5 26.0 77 86 A R E - E 0 66A 32 -11,-1.5 -11,-2.3 -2,-0.4 2,-0.4 -0.998 15.6-150.6-134.0 136.1 24.9 36.9 27.0 78 87 A T E - E 0 65A 41 -2,-0.4 -66,-2.1 -66,-0.3 2,-0.3 -0.899 15.1-176.0-113.8 131.7 22.0 35.8 29.2 79 88 A F E -BE 11 64A 1 -15,-3.2 -15,-3.1 -2,-0.4 2,-0.3 -0.906 9.1-163.1-129.6 151.7 22.1 32.8 31.5 80 89 A H E -BE 10 63A 34 -70,-2.7 -70,-2.2 -2,-0.3 2,-0.3 -0.991 6.3-173.9-135.7 140.9 19.6 30.9 33.8 81 90 A V - 0 0 2 -19,-1.3 -72,-0.1 -2,-0.3 6,-0.0 -0.813 34.8-110.7-127.7 174.2 20.1 28.5 36.6 82 91 A E S S+ 0 0 123 -2,-0.3 -1,-0.0 1,-0.1 -73,-0.0 0.801 92.2 16.9 -78.4 -30.8 17.8 26.3 38.8 83 92 A T S > S- 0 0 56 -21,-0.1 4,-1.6 1,-0.1 -1,-0.1 -0.923 71.3-114.9-139.5 162.5 18.2 28.1 42.2 84 93 A P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.780 115.3 56.4 -67.3 -30.0 19.4 31.4 43.7 85 94 A E H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.878 105.7 51.8 -68.7 -38.4 22.3 29.7 45.6 86 95 A E H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 108.9 51.2 -59.3 -45.8 23.6 28.4 42.2 87 96 A R H X S+ 0 0 27 -4,-1.6 4,-3.5 1,-0.2 5,-0.3 0.953 108.6 49.6 -56.3 -55.0 23.4 31.9 40.7 88 97 A E H X S+ 0 0 115 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.790 108.9 54.9 -55.8 -31.5 25.5 33.4 43.6 89 98 A E H X S+ 0 0 40 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.926 115.2 37.7 -67.1 -45.3 28.0 30.6 43.1 90 99 A W H X S+ 0 0 10 -4,-2.1 4,-2.6 -3,-0.2 5,-0.2 0.919 117.5 49.4 -70.3 -45.5 28.4 31.5 39.4 91 100 A T H X S+ 0 0 28 -4,-3.5 4,-2.4 2,-0.2 -3,-0.2 0.860 113.1 45.8 -68.2 -36.8 28.2 35.3 39.8 92 101 A T H X S+ 0 0 82 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.906 114.0 49.8 -69.7 -42.1 30.8 35.4 42.6 93 102 A A H X S+ 0 0 11 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.867 114.8 43.6 -63.2 -39.9 33.1 33.0 40.6 94 103 A I H X S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.933 114.7 50.6 -69.0 -46.2 32.7 35.2 37.5 95 104 A Q H < S+ 0 0 105 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.865 111.6 46.3 -60.3 -41.0 33.1 38.4 39.6 96 105 A T H < S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 109.3 54.2 -71.5 -39.0 36.3 37.2 41.4 97 106 A V H < S+ 0 0 22 -4,-1.6 2,-2.4 -5,-0.2 -1,-0.2 0.807 85.4 89.5 -63.4 -32.0 37.9 36.0 38.1 98 107 A A < + 0 0 34 -4,-1.6 2,-0.5 -5,-0.1 -1,-0.2 -0.451 63.4 149.1 -66.4 79.0 37.4 39.5 36.7 99 108 A D 0 0 86 -2,-2.4 -50,-0.1 -50,-0.0 -3,-0.0 -0.978 360.0 360.0-126.4 123.4 40.8 40.7 37.9 100 109 A G 0 0 133 -2,-0.5 -2,-0.0 -51,-0.0 -51,-0.0 -0.645 360.0 360.0-147.1 360.0 43.0 43.3 36.3 101 ! 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 0.0 102 144 A R 0 0 145 0, 0.0 2,-0.3 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 -56.3 40.4 66.8 24.8 103 145 A V - 0 0 17 59,-0.1 2,-0.3 3,-0.0 59,-0.0 -0.870 360.0-169.2-128.4 165.1 37.3 67.2 22.7 104 146 A T > - 0 0 71 -2,-0.3 3,-1.8 59,-0.1 4,-0.2 -0.847 47.7 -84.3-140.4 175.9 33.6 67.5 23.3 105 147 A M G > S+ 0 0 77 -2,-0.3 3,-1.5 1,-0.3 60,-0.0 0.779 122.6 67.8 -49.8 -33.1 30.3 67.5 21.3 106 148 A N G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.727 86.4 67.2 -65.8 -24.3 31.0 71.2 20.6 107 149 A E G < S+ 0 0 64 -3,-1.8 21,-1.8 20,-0.1 22,-0.4 0.479 99.3 62.2 -74.3 -3.3 34.0 70.3 18.4 108 150 A F E < -G 127 0C 3 -3,-1.5 2,-0.4 19,-0.2 19,-0.2 -0.903 67.5-139.1-131.1 149.6 31.7 68.7 15.8 109 151 A E E -G 126 0C 105 17,-2.5 17,-1.9 -2,-0.3 2,-0.6 -0.894 24.8-134.8-100.3 143.6 28.9 69.4 13.3 110 152 A Y E +G 125 0C 95 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.871 35.5 159.2-108.6 113.6 26.2 66.8 13.0 111 153 A L E + 0 0 76 13,-2.5 2,-0.3 -2,-0.6 14,-0.2 0.800 52.8 0.5-107.9 -40.8 25.3 66.1 9.4 112 154 A K E -G 124 0C 102 12,-1.1 12,-3.7 0, 0.0 2,-0.5 -0.968 60.7-115.0-162.1 136.4 23.5 62.7 8.8 113 155 A L E +G 123 0C 93 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.680 30.6 175.7 -73.8 122.0 22.3 59.7 10.7 114 156 A L E - 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0 0 88 -4,-1.2 2,-0.2 -5,-0.6 -1,-0.0 -0.605 60.8-140.5 -85.2 133.0 22.1 22.2 2.2 307 365 A E - 0 0 141 -2,-0.3 2,-0.2 1,-0.1 20,-0.1 -0.598 33.1-103.9 -79.3 151.2 25.3 21.9 0.1 308 366 A I - 0 0 27 -2,-0.2 2,-0.7 18,-0.1 -1,-0.1 -0.483 15.6-142.7 -79.2 144.5 26.0 24.7 -2.4 309 367 A R - 0 0 234 -19,-0.2 -1,-0.0 -2,-0.2 0, 0.0 -0.943 24.8-148.3-101.4 109.0 25.5 24.5 -6.1 310 368 A F - 0 0 52 -2,-0.7 9,-0.0 1,-0.1 -24,-0.0 -0.649 18.0-112.2 -83.7 133.1 28.4 26.5 -7.6 311 369 A P > - 0 0 43 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.243 17.6-126.0 -61.1 150.1 27.8 28.3 -10.9 312 370 A R T 3 S+ 0 0 111 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.676 103.2 74.4 -73.1 -18.4 29.6 27.0 -14.0 313 371 A T T 3 S+ 0 0 111 -27,-0.0 2,-0.4 2,-0.0 -1,-0.2 0.640 76.0 100.4 -63.7 -16.8 31.0 30.6 -14.6 314 372 A L S < S- 0 0 16 -3,-1.2 -28,-0.0 1,-0.1 -4,-0.0 -0.615 73.3-128.6 -84.2 123.5 33.5 30.1 -11.7 315 373 A G > - 0 0 19 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.172 30.2-104.7 -58.3 160.9 37.1 29.2 -12.4 316 374 A P H > S+ 0 0 99 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.768 117.2 53.9 -66.4 -29.1 38.6 26.2 -10.5 317 375 A E H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.1 32,-0.3 0.959 111.0 45.1 -66.6 -53.6 40.7 28.3 -8.1 318 376 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.913 113.8 50.2 -52.8 -48.1 37.7 30.5 -6.9 319 377 A K H X S+ 0 0 107 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.891 110.3 49.6 -63.4 -40.6 35.5 27.4 -6.6 320 378 A S H X S+ 0 0 63 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.932 114.0 45.6 -62.0 -47.8 38.2 25.6 -4.5 321 379 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.946 114.9 46.0 -60.5 -52.1 38.6 28.6 -2.2 322 380 A L H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.877 113.2 49.8 -61.8 -39.1 34.8 29.2 -1.8 323 381 A S H < S+ 0 0 36 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.881 113.5 48.0 -66.1 -39.8 34.2 25.4 -1.2 324 382 A G H >< S+ 0 0 10 -4,-2.2 10,-2.7 -5,-0.2 3,-1.0 0.920 113.3 45.8 -62.3 -45.9 37.0 25.5 1.4 325 383 A L H 3< S+ 0 0 0 -4,-2.9 -47,-0.3 1,-0.2 -2,-0.2 0.733 112.9 51.3 -72.9 -21.4 35.7 28.6 3.2 326 384 A L T 3< S+ 0 0 10 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.005 71.5 132.1-113.2 26.3 32.1 27.4 3.3 327 385 A K < - 0 0 97 -3,-1.0 6,-0.2 1,-0.1 -3,-0.0 -0.638 55.1-138.7 -71.4 138.0 32.5 24.0 4.8 328 386 A K S S+ 0 0 41 -2,-0.3 -67,-0.3 4,-0.1 -1,-0.1 0.819 87.3 72.6 -72.2 -36.3 30.0 23.6 7.6 329 387 A D S >> S- 0 0 90 1,-0.1 4,-1.3 -69,-0.1 3,-1.0 -0.775 74.8-152.7 -84.2 114.4 32.3 21.9 10.0 330 388 A P T 34 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.768 91.9 58.6 -60.4 -33.8 34.7 24.7 11.2 331 389 A K T 34 S+ 0 0 68 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.761 112.9 41.1 -68.8 -24.0 37.6 22.3 12.0 332 390 A Q T <4 S+ 0 0 136 -3,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.708 95.4 105.7 -90.9 -22.3 37.5 21.2 8.3 333 391 A R S >< S- 0 0 0 -4,-1.3 3,-2.4 -6,-0.2 4,-0.3 -0.151 87.3 -90.0 -60.1 148.2 36.9 24.7 6.8 334 392 A L T 3 S+ 0 0 27 -10,-2.7 -1,-0.2 1,-0.3 -2,-0.1 -0.430 118.5 15.6 -58.8 121.6 39.7 26.6 5.1 335 393 A G T 3 S+ 0 0 1 -2,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.323 97.1 110.8 95.0 -4.9 41.5 28.6 7.8 336 394 A G < + 0 0 23 -3,-2.4 -65,-0.2 -7,-0.1 -2,-0.1 0.540 58.7 79.7 -81.9 -9.0 39.9 26.6 10.5 337 395 A G S > S- 0 0 38 -4,-0.3 3,-1.2 3,-0.2 6,-0.1 -0.043 105.0 -77.4 -85.1-166.3 43.1 24.8 11.7 338 396 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.755 127.2 61.8 -65.5 -27.0 45.9 25.9 13.9 339 397 A E T > S+ 0 0 98 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.663 79.9 178.5 -72.8 -22.1 47.4 27.9 11.0 340 398 A D T X> + 0 0 17 -3,-1.2 3,-1.4 1,-0.3 4,-0.6 -0.252 68.2 8.6 52.2-125.7 44.3 30.2 10.8 341 399 A A H >> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-0.8 0.748 119.0 71.9 -58.1 -30.4 44.7 32.9 8.1 342 400 A K H <> S+ 0 0 97 -3,-1.6 4,-2.2 1,-0.3 -1,-0.3 0.854 91.5 59.0 -53.9 -40.3 48.0 31.4 6.7 343 401 A E H <4 S+ 0 0 55 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.874 111.9 40.2 -53.9 -41.4 45.9 28.5 5.3 344 402 A I H X< S+ 0 0 0 -3,-0.8 3,-1.2 -4,-0.6 6,-0.3 0.898 110.0 58.2 -77.8 -40.7 44.0 31.0 3.2 345 403 A M H 3< S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.861 111.5 42.5 -59.6 -34.5 47.0 33.2 2.4 346 404 A Q T 3< S+ 0 0 141 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.385 85.6 119.6 -98.1 6.4 48.7 30.2 0.7 347 405 A H S X S- 0 0 26 -3,-1.2 3,-1.4 -4,-0.2 -3,-0.0 -0.411 77.8-113.3 -63.0 149.5 45.6 28.9 -1.1 348 406 A R G > S+ 0 0 189 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.727 110.5 70.3 -58.9 -31.6 46.1 28.9 -4.9 349 407 A F G 3 S+ 0 0 1 -32,-0.3 -1,-0.3 1,-0.3 -31,-0.1 0.832 101.8 47.4 -59.0 -31.8 43.5 31.6 -5.5 350 408 A F G X S+ 0 0 3 -3,-1.4 3,-1.8 -6,-0.3 -1,-0.3 0.066 79.9 149.5 -99.6 26.2 45.9 34.1 -3.9 351 409 A A T < + 0 0 77 -3,-2.0 3,-0.1 1,-0.2 -3,-0.1 -0.389 69.1 20.9 -59.2 125.0 49.0 32.9 -5.9 352 410 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.122 87.6 133.1 104.1 -21.1 51.3 35.9 -6.4 353 411 A I < - 0 0 29 -3,-1.8 2,-0.7 -8,-0.2 -1,-0.3 -0.478 47.0-149.8 -70.4 127.4 50.0 38.0 -3.5 354 412 A V > - 0 0 71 -2,-0.3 4,-1.5 1,-0.1 3,-0.3 -0.884 7.8-159.7 -97.9 112.4 52.8 39.5 -1.4 355 413 A W H > S+ 0 0 41 -2,-0.7 4,-2.2 1,-0.3 -1,-0.1 0.764 88.6 54.8 -72.4 -29.0 51.1 39.8 2.0 356 414 A Q H > S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.883 107.7 53.1 -65.3 -37.4 53.5 42.4 3.5 357 415 A H H 4>S+ 0 0 84 -3,-0.3 5,-3.2 2,-0.2 6,-0.6 0.869 107.2 50.8 -66.0 -37.4 52.6 44.5 0.4 358 416 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.962 109.8 50.1 -60.7 -52.9 48.8 44.1 1.2 359 417 A Y H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 111.8 48.9 -53.0 -32.2 49.5 45.2 4.8 360 418 A E T 3<5S- 0 0 78 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.261 114.5-115.4 -96.3 9.8 51.4 48.2 3.4 361 419 A K T < 5S+ 0 0 85 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.724 76.9 131.4 62.3 25.7 48.7 49.2 1.0 362 420 A K < + 0 0 138 -5,-3.2 2,-0.2 -6,-0.2 -4,-0.2 0.631 36.7 101.1 -83.9 -13.8 51.0 48.5 -1.9 363 421 A L S S- 0 0 39 -6,-0.6 -10,-0.0 -5,-0.1 0, 0.0 -0.536 79.9-121.6 -70.8 133.0 48.5 46.4 -3.9 364 422 A S - 0 0 100 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.691 23.9-120.0 -86.7 125.2 47.0 48.5 -6.6 365 423 A P - 0 0 40 0, 0.0 -132,-0.1 0, 0.0 3,-0.1 -0.380 6.9-147.1 -66.0 135.5 43.2 48.9 -6.5 366 424 A P S S+ 0 0 72 0, 0.0 2,-0.4 0, 0.0 -171,-0.1 0.610 88.2 38.1 -73.2 -12.4 41.3 47.6 -9.5 367 425 A F - 0 0 56 -135,-0.2 0, 0.0 -136,-0.1 0, 0.0 -0.993 64.0-165.1-145.7 128.0 38.8 50.4 -8.9 368 426 A K - 0 0 74 -2,-0.4 -137,-0.1 -3,-0.1 -136,-0.1 -0.977 25.6-130.0-112.1 123.8 39.2 54.1 -7.8 369 427 A P - 0 0 7 0, 0.0 2,-2.0 0, 0.0 -190,-0.1 -0.369 33.9 -96.4 -69.9 153.8 36.0 55.8 -6.6 370 428 A Q S S+ 0 0 81 -192,-0.1 2,-0.3 -2,-0.1 8,-0.1 -0.473 78.6 124.6 -75.2 80.8 35.2 59.3 -8.1 371 429 A V - 0 0 25 -2,-2.0 3,-0.1 -141,-0.3 -193,-0.0 -0.986 45.1-164.4-145.6 131.1 36.7 61.5 -5.3 372 430 A T S S+ 0 0 128 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.765 75.5 3.8 -85.2 -29.1 39.3 64.2 -5.5 373 431 A S S > S- 0 0 42 -196,-0.1 3,-1.8 -143,-0.0 -1,-0.1 -0.950 76.0 -99.0-150.4 167.2 40.1 64.5 -1.7 374 432 A E T 3 S+ 0 0 140 -2,-0.3 -241,-0.4 1,-0.3 -196,-0.0 0.513 122.5 59.3 -64.6 -5.1 39.3 62.9 1.7 375 433 A T T 3 S+ 0 0 69 -243,-0.1 2,-0.5 -198,-0.0 -1,-0.3 0.270 74.2 122.0-108.2 8.1 36.9 65.9 2.0 376 434 A D < - 0 0 39 -3,-1.8 3,-0.4 1,-0.1 4,-0.1 -0.632 42.8-167.9 -77.6 119.6 34.8 65.0 -1.0 377 435 A T > + 0 0 71 -2,-0.5 3,-1.2 1,-0.2 -1,-0.1 0.359 54.2 112.1 -90.6 4.4 31.1 64.5 0.0 378 436 A R T 3 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.2 -200,-0.1 0.858 82.1 41.6 -46.5 -47.2 30.0 62.9 -3.3 379 437 A Y T 3 0 0 72 -202,-0.5 -1,-0.3 -3,-0.4 -199,-0.2 0.668 360.0 360.0 -80.3 -15.8 29.4 59.5 -1.7 380 438 A F < 0 0 51 -3,-1.2 -1,-0.2 -203,-0.1 -2,-0.2 0.714 360.0 360.0 -73.3 360.0 27.7 60.8 1.5