==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-11 3U0O . COMPND 2 MOLECULE: SELENIDE, WATER DIKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.NOINAJ,R.WATTANASAK,J.WALLY,T.STADTMAN,S.K.BUCHANAN . 654 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 43 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 2 4 0 1 2 1 0 3 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 1 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 PARALLEL BRIDGES PER LADDER . 3 1 0 5 4 0 0 0 2 2 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 0 0 0 1 3 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 29 A I 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.8 46.5 26.4 25.4 2 30 A L + 0 0 69 1,-0.1 446,-0.0 447,-0.1 448,-0.0 0.999 360.0 154.5 -80.3 -73.8 48.3 29.0 23.4 3 31 A H + 0 0 77 1,-0.1 -1,-0.1 424,-0.0 0, 0.0 0.472 32.5 136.5 64.7 -1.9 48.7 32.3 25.3 4 32 A S + 0 0 7 426,-0.0 2,-0.3 427,-0.0 -1,-0.1 0.492 50.0 69.0 -65.9 -6.4 51.7 32.9 23.0 5 33 A E S S+ 0 0 26 1,-0.2 426,-0.0 442,-0.1 440,-0.0 -0.754 71.6 65.3-113.1 161.2 50.9 36.5 22.4 6 34 A Q + 0 0 123 -2,-0.3 -1,-0.2 440,-0.1 2,-0.1 0.769 63.4 173.3 41.7 111.4 51.2 39.3 25.0 7 35 A A - 0 0 25 -3,-0.1 2,-0.2 420,-0.0 -2,-0.1 0.628 35.9 -56.7 134.2 179.8 54.0 39.5 25.6 8 36 A K S S- 0 0 76 -2,-0.1 2,-0.4 423,-0.0 -2,-0.0 -0.675 102.2 -0.9-159.7 98.0 56.2 41.7 27.7 9 37 A F S S- 0 0 83 -2,-0.2 2,-0.2 2,-0.0 -2,-0.0 -0.970 76.9-157.1 123.9-140.4 56.1 45.4 26.8 10 38 A V - 0 0 124 -2,-0.4 433,-0.0 -4,-0.0 424,-0.0 -0.587 19.6-121.6 142.2 164.2 54.0 46.8 24.0 11 39 A D - 0 0 71 -2,-0.2 2,-0.1 433,-0.1 432,-0.0 -0.725 36.9-139.2-122.6 168.2 53.1 49.4 21.4 12 40 A P + 0 0 89 0, 0.0 431,-0.1 0, 0.0 -1,-0.0 -0.418 22.4 20.0-128.5-155.8 49.8 51.3 21.2 13 41 A N S S+ 0 0 122 1,-0.2 3,-0.1 2,-0.2 14,-0.1 0.584 71.8 58.2 -39.7-176.3 46.8 52.8 19.3 14 42 A L S S+ 0 0 68 12,-0.1 14,-2.0 14,-0.0 2,-0.4 -0.739 86.0 113.5 -86.9 41.2 44.8 53.5 17.3 15 43 A L B -A 27 0A 31 12,-0.2 12,-0.2 1,-0.2 3,-0.2 -0.590 41.4-178.9 -72.1 124.6 44.1 49.8 17.8 16 44 A V + 0 0 58 10,-3.3 2,-1.1 -2,-0.4 -1,-0.2 0.927 69.3 42.7 -97.4 -70.9 40.8 49.5 19.4 17 45 A G S S+ 0 0 3 9,-0.4 9,-1.5 2,-0.0 -1,-0.4 -0.808 92.8 125.3 -75.2 105.1 40.2 45.8 19.9 18 46 A N + 0 0 37 -2,-1.1 427,-0.1 -3,-0.2 428,-0.1 -0.336 44.1 10.2 160.4 159.9 43.6 44.5 21.2 19 47 A E S S+ 0 0 60 -2,-0.1 427,-0.1 425,-0.1 -2,-0.0 0.127 98.9 57.5-116.5 107.5 45.3 43.0 23.1 20 48 A T S S- 0 0 121 2,-0.0 2,-0.2 -14,-0.0 -3,-0.0 0.254 112.5 -64.4-122.4 -86.9 43.4 41.1 25.7 21 49 A R + 0 0 115 3,-0.1 2,-0.3 425,-0.0 116,-0.1 -0.588 66.8 151.8-151.4 118.5 41.3 38.7 23.8 22 50 A D - 0 0 24 -2,-0.2 3,-0.1 114,-0.1 176,-0.1 -0.794 58.1-103.9-118.5 175.6 38.5 39.9 21.5 23 51 A D S S+ 0 0 14 -2,-0.3 2,-0.3 1,-0.1 40,-0.1 0.850 97.5 10.7 -65.3 -31.8 37.4 37.9 18.5 24 52 A A S S- 0 0 8 39,-0.1 2,-0.3 14,-0.1 14,-0.2 -0.979 75.7-104.2-148.7 153.5 39.1 40.3 16.1 25 53 A A E - B 0 37A 3 12,-2.1 12,-2.6 -2,-0.3 2,-0.4 -0.600 35.7-167.9 -75.5 134.6 41.6 43.2 15.7 26 54 A V E - B 0 36A 1 -9,-1.5 -10,-3.3 -2,-0.3 2,-0.4 -0.995 5.2-166.0-129.3 136.2 40.0 46.6 15.0 27 55 A Y E -AB 15 35A 30 8,-2.6 8,-2.5 -2,-0.4 2,-0.6 -0.961 15.6-134.9-122.3 136.1 41.8 49.8 13.9 28 56 A D E - B 0 34A 39 -14,-2.0 2,-0.4 -2,-0.4 6,-0.2 -0.781 9.6-165.5 -93.7 114.2 40.3 53.3 14.0 29 57 A L > - 0 0 17 4,-2.1 3,-0.9 -2,-0.6 4,-0.5 -0.820 35.5-121.7 -83.5 141.2 40.8 55.5 11.0 30 58 A G T 3 S+ 0 0 79 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.384 96.8 87.4 -71.5 8.4 39.9 58.9 12.4 31 59 A N T 3 S- 0 0 87 2,-0.4 -1,-0.3 1,-0.0 3,-0.1 0.206 115.5 -90.3 -94.3 9.3 37.2 59.3 9.7 32 60 A G S < S+ 0 0 34 -3,-0.9 99,-2.1 1,-0.3 2,-0.4 0.376 100.5 101.7 100.0 -0.6 34.3 57.5 11.6 33 61 A T E - C 0 130A 48 -4,-0.5 -4,-2.1 97,-0.3 2,-0.4 -0.939 51.2-165.3-121.3 133.4 35.3 54.2 10.1 34 62 A S E -BC 28 129A 1 95,-3.1 95,-2.4 -2,-0.4 2,-0.4 -0.919 13.6-137.5-117.3 149.1 37.2 51.3 11.7 35 63 A V E -BC 27 128A 0 -8,-2.5 -8,-2.6 -2,-0.4 2,-0.4 -0.850 13.9-154.1-108.5 136.7 38.7 48.3 9.9 36 64 A I E -BC 26 127A 0 91,-2.5 91,-2.3 -2,-0.4 2,-0.4 -0.908 9.5-174.3-114.3 133.4 38.5 44.8 11.3 37 65 A S E +BC 25 126A 3 -12,-2.6 -12,-2.1 -2,-0.4 2,-0.3 -0.989 12.3 159.7-125.6 137.2 40.9 41.9 10.7 38 66 A T E - C 0 125A 5 87,-2.2 87,-3.0 -2,-0.4 2,-0.4 -0.993 15.9-163.4-148.4 152.7 40.5 38.3 11.9 39 67 A T E + C 0 124A 7 -2,-0.3 2,-0.3 85,-0.2 85,-0.2 -0.998 10.8 167.8-137.7 147.5 41.8 34.9 11.0 40 68 A D E + C 0 123A 18 83,-2.3 83,-1.9 -2,-0.4 2,-0.3 -0.982 4.3 172.6-151.8 145.5 40.8 31.4 11.6 41 69 A F E - C 0 122A 4 -2,-0.3 81,-0.3 81,-0.3 2,-0.3 -0.993 6.5-169.9-154.8 153.7 41.9 28.0 10.2 42 70 A F E - C 0 121A 39 79,-2.6 79,-2.5 -2,-0.3 3,-0.1 -0.882 28.9-114.6-140.3 162.5 41.3 24.3 10.8 43 71 A M S S- 0 0 60 -2,-0.3 77,-0.2 77,-0.2 2,-0.0 -0.618 74.5 -64.1 -85.7 160.8 42.2 20.7 10.2 44 72 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.244 48.7-176.7 -59.5 125.5 39.3 18.9 8.5 45 73 A I + 0 0 70 3,-0.1 2,-0.3 7,-0.1 3,-0.1 0.479 69.4 28.5-100.7 -3.9 36.2 18.7 10.6 46 74 A V S S- 0 0 37 1,-0.1 6,-0.0 2,-0.1 112,-0.0 -0.885 76.4-118.3-139.3 175.6 34.1 16.7 8.2 47 75 A D S S+ 0 0 164 -2,-0.3 -1,-0.1 -3,-0.0 5,-0.1 0.925 90.3 85.5 -76.9 -50.8 34.7 14.2 5.4 48 76 A N > - 0 0 70 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.333 66.6-155.5 -58.7 118.3 33.2 16.3 2.6 49 77 A P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.941 91.9 48.9 -61.0 -47.8 35.9 18.6 1.2 50 78 A F H > S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.942 113.3 45.9 -60.5 -51.9 33.4 21.2 -0.1 51 79 A D H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.805 109.3 56.4 -61.3 -30.2 31.5 21.3 3.2 52 80 A F H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.928 109.9 45.4 -66.6 -43.2 34.8 21.5 5.1 53 81 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.957 112.8 50.8 -59.7 -52.4 35.7 24.6 3.1 54 82 A R H X S+ 0 0 60 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.912 114.1 44.8 -48.5 -50.4 32.3 26.1 3.6 55 83 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.931 110.5 50.0 -67.7 -49.9 32.5 25.5 7.3 56 84 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 67,-0.3 0.869 114.5 47.8 -56.2 -37.1 36.0 26.8 8.0 57 85 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.921 109.4 51.0 -71.3 -46.5 35.1 30.0 6.0 58 86 A T H X S+ 0 0 2 -4,-2.4 4,-1.8 -5,-0.2 124,-0.2 0.950 111.4 49.8 -53.6 -50.6 31.8 30.5 7.8 59 87 A N H X S+ 0 0 4 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.897 110.9 48.7 -55.7 -46.6 33.7 30.2 11.1 60 88 A A H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.905 112.9 46.1 -61.5 -43.9 36.4 32.7 10.0 61 89 A I H >X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.9 0.789 96.2 78.0 -69.4 -26.3 33.9 35.4 8.8 62 90 A S H 3X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.882 85.9 59.2 -51.2 -43.0 31.8 34.9 11.9 63 91 A D H S+ 0 0 0 -3,-0.9 5,-2.8 -4,-0.5 4,-0.4 0.942 112.0 45.6 -60.6 -47.8 33.8 40.1 11.7 65 93 A F H ><5S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.857 106.2 59.2 -66.0 -27.4 30.1 39.7 12.4 66 94 A A H 3<5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 104.9 50.4 -70.4 -27.9 30.7 39.2 16.1 67 95 A M T 3<5S- 0 0 0 -4,-1.5 68,-2.1 -3,-0.4 -1,-0.3 0.550 123.4-110.7 -80.7 -7.1 32.4 42.6 16.2 68 96 A G T < 5S+ 0 0 3 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.704 73.4 140.0 82.2 21.1 29.3 43.9 14.4 69 97 A G < - 0 0 0 -5,-2.8 -1,-0.2 -6,-0.2 60,-0.2 -0.382 54.9-121.2 -93.4 170.7 31.3 44.5 11.2 70 98 A K E -D 128 0A 40 58,-2.5 58,-1.7 -2,-0.1 -34,-0.2 -0.966 31.4-123.5-108.6 122.8 30.6 44.0 7.5 71 99 A P E +D 127 0A 15 0, 0.0 56,-0.3 0, 0.0 3,-0.1 -0.449 36.4 166.3 -63.3 137.4 33.0 41.6 5.7 72 100 A I E + 0 0 13 54,-3.3 35,-0.5 1,-0.4 2,-0.3 0.641 60.3 18.4-116.3 -50.3 34.8 43.2 2.7 73 101 A M E -D 126 0A 0 53,-1.8 53,-2.5 33,-0.1 -1,-0.4 -0.931 51.0-172.6-124.9 157.8 37.6 40.8 1.9 74 102 A A E -De 125 108A 0 33,-0.7 35,-3.5 -2,-0.3 2,-0.4 -0.987 4.2-170.5-141.0 145.6 38.8 37.3 2.4 75 103 A I E -D 124 0A 5 49,-2.1 49,-2.3 -2,-0.3 36,-0.3 -0.986 29.6-108.2-131.6 138.6 42.1 35.6 1.5 76 104 A A E -De 123 111A 12 34,-2.8 36,-2.6 -2,-0.4 2,-0.5 -0.410 18.0-162.4 -76.7 143.0 42.8 31.9 1.8 77 105 A I E +De 122 112A 4 45,-2.7 45,-2.3 34,-0.2 2,-0.4 -0.979 29.5 161.5-116.3 116.7 45.0 30.1 4.2 78 106 A L E +De 121 113A 9 34,-1.9 36,-1.5 -2,-0.5 2,-0.3 -0.996 22.0 172.1-141.4 137.3 45.8 26.6 2.9 79 107 A G E +De 120 114A 1 41,-2.3 41,-2.7 -2,-0.4 36,-0.2 -0.991 17.6 178.9-144.1 145.0 48.3 23.9 3.5 80 108 A W E - e 0 115A 12 34,-2.0 2,-2.1 -2,-0.3 36,-0.6 -0.996 39.3-118.5-153.3 137.5 48.0 20.5 1.9 81 109 A P >> - 0 0 12 0, 0.0 3,-3.1 0, 0.0 4,-2.5 -0.503 34.0-176.7 -80.7 82.3 49.8 17.2 1.7 82 110 A I T 34 S+ 0 0 23 -2,-2.1 33,-0.0 1,-0.3 -3,-0.0 0.729 81.8 49.1 -56.2 -24.8 50.4 17.4 -2.0 83 111 A N T 34 S+ 0 0 138 -3,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.373 121.6 35.8 -91.3 2.9 52.0 13.9 -2.1 84 112 A K T <4 S+ 0 0 85 -3,-3.1 2,-0.3 1,-0.4 -2,-0.2 0.734 117.2 35.0-119.2 -59.6 49.1 12.5 -0.1 85 113 A L S < S- 0 0 29 -4,-2.5 -1,-0.4 1,-0.0 -5,-0.0 -0.791 86.3-102.5-105.3 149.0 45.8 14.2 -1.1 86 114 A S >> - 0 0 51 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.428 16.2-129.4 -71.6 140.4 44.8 15.4 -4.6 87 115 A P H 3> S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.700 110.2 63.8 -50.6 -27.6 44.8 19.0 -5.7 88 116 A E H 3> S+ 0 0 90 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.858 100.0 49.9 -72.3 -35.1 41.3 18.4 -6.9 89 117 A I H <> S+ 0 0 64 -3,-0.9 4,-2.4 2,-0.2 3,-0.2 0.945 110.0 52.5 -61.3 -46.0 40.2 17.8 -3.3 90 118 A A H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.3 -2,-0.2 0.920 107.1 50.5 -54.4 -48.0 42.0 21.1 -2.5 91 119 A R H X S+ 0 0 112 -4,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.840 108.9 54.4 -62.2 -29.8 40.0 22.9 -5.2 92 120 A E H X S+ 0 0 91 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.934 109.6 44.5 -70.4 -44.2 36.9 21.4 -3.7 93 121 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 3,-0.4 0.979 114.0 50.5 -59.9 -53.3 37.7 22.7 -0.2 94 122 A T H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.865 107.8 54.1 -49.5 -41.2 38.6 26.1 -1.7 95 123 A E H X S+ 0 0 49 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.882 105.0 52.7 -66.2 -39.4 35.3 26.1 -3.6 96 124 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 -3,-0.4 -1,-0.2 0.926 110.7 49.5 -54.7 -44.4 33.5 25.5 -0.3 97 125 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.908 109.9 48.9 -62.7 -45.2 35.4 28.6 1.0 98 126 A R H X S+ 0 0 19 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.825 111.0 51.7 -62.5 -35.3 34.5 30.7 -2.1 99 127 A Y H X S+ 0 0 111 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.957 110.7 45.8 -70.5 -50.6 30.8 29.7 -1.7 100 128 A A H X S+ 0 0 3 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.939 111.4 54.1 -53.7 -48.3 30.7 30.7 2.0 101 129 A C H ><>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.3 3,-1.1 0.928 106.5 51.4 -53.1 -45.9 32.5 33.9 1.1 102 130 A R H ><5S+ 0 0 86 -4,-2.3 3,-1.7 1,-0.3 -1,-0.3 0.879 103.9 58.1 -59.7 -37.0 29.8 34.6 -1.5 103 131 A Q H 3<5S+ 0 0 106 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.742 106.0 49.3 -64.8 -23.8 27.2 34.0 1.2 104 132 A A T <<5S- 0 0 12 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.367 124.1-108.9 -90.1 4.3 28.8 36.8 3.2 105 133 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.739 82.5 108.2 74.9 25.1 28.7 39.0 0.1 106 134 A I < - 0 0 6 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.911 65.6-115.9-131.2 160.2 32.5 38.9 -0.6 107 135 A A - 0 0 13 -35,-0.5 2,-0.8 -2,-0.3 -33,-0.7 -0.593 23.7-125.5 -82.7 152.6 35.0 37.4 -2.9 108 136 A L E -e 74 0A 7 -2,-0.2 2,-0.9 -35,-0.1 -33,-0.2 -0.901 33.7-159.8 -92.1 110.0 37.6 34.9 -1.9 109 137 A A E - 0 0 4 -35,-3.5 252,-0.1 -2,-0.8 234,-0.1 -0.716 36.3 -78.1-105.8 99.5 40.7 36.7 -3.2 110 138 A G E - 0 0 12 -2,-0.9 -34,-2.8 233,-0.4 2,-0.3 -0.241 57.4-177.0 49.9-142.4 43.7 34.5 -3.7 111 139 A G E -e 76 0A 26 247,-0.3 2,-0.4 -36,-0.3 -34,-0.2 -0.991 28.2 -69.1 149.9-159.4 45.6 33.6 -0.5 112 140 A H E -e 77 0A 22 -36,-2.6 -34,-1.9 -2,-0.3 2,-0.3 -0.995 39.8-170.6-136.3 146.3 48.7 31.7 0.5 113 141 A S E +e 78 0A 5 -2,-0.4 222,-2.5 -36,-0.2 2,-0.3 -0.961 6.2 177.1-136.1 150.5 49.4 28.0 0.3 114 142 A I E -eF 79 334A 2 -36,-1.5 -34,-2.0 -2,-0.3 2,-0.6 -0.960 39.0-100.1-139.5 164.5 52.1 25.6 1.5 115 143 A D E +e 80 0A 31 218,-2.2 -36,-0.0 -2,-0.3 3,-0.0 -0.768 48.7 174.0 -78.7 121.3 52.8 21.9 1.5 116 144 A A - 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0 0 25 -2,-0.8 2,-1.1 3,-0.2 72,-0.2 -0.806 62.6 -52.7-138.5 105.8 32.6 28.6 19.0 202 230 A G S S+ 0 0 27 -2,-0.3 71,-0.1 1,-0.2 47,-0.1 0.226 117.4 82.9 67.7 -19.8 34.0 25.5 20.4 203 231 A F S > S- 0 0 63 -2,-1.1 4,-0.5 69,-0.2 -1,-0.2 0.516 105.5-119.6 -90.4 -6.2 34.8 26.9 23.9 204 232 A G H > - 0 0 0 3,-0.2 4,-2.5 2,-0.2 3,-0.5 0.252 23.0 -78.5 82.8 153.8 31.2 26.2 24.4 205 233 A L H > S+ 0 0 2 65,-0.5 4,-2.4 62,-0.3 5,-0.2 0.897 132.9 49.4 -48.7 -46.6 28.3 28.5 25.3 206 234 A L H > S+ 0 0 1 62,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.814 109.0 52.6 -66.7 -33.7 29.4 28.6 28.9 207 235 A G H X S+ 0 0 0 -4,-0.5 4,-2.1 -3,-0.5 -1,-0.2 0.945 113.0 42.1 -66.5 -47.8 33.0 29.3 28.0 208 236 A H H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.875 114.0 53.0 -70.8 -33.7 32.2 32.3 25.8 209 237 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.916 106.7 52.8 -63.2 -45.0 29.6 33.5 28.4 210 238 A S H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.894 105.8 54.4 -56.3 -43.6 32.4 33.3 31.0 211 239 A E H X S+ 0 0 39 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.912 107.4 50.6 -58.5 -41.4 34.5 35.5 28.7 212 240 A M H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -72,-0.2 0.919 114.0 44.4 -58.8 -44.4 31.7 38.0 28.7 213 241 A C H X>S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 5,-1.5 0.948 115.1 45.5 -68.1 -52.7 31.4 38.0 32.5 214 242 A Q H ><5S+ 0 0 145 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.969 114.2 51.3 -47.2 -60.1 35.2 38.2 33.2 215 243 A G H 3<5S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.847 120.7 32.4 -48.5 -43.5 35.4 40.9 30.6 216 244 A A H 3<5S- 0 0 30 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.507 102.8-121.9 -97.9 -5.5 32.6 43.0 32.1 217 245 A G T <<5S+ 0 0 55 -4,-1.9 92,-0.6 -3,-0.8 2,-0.2 0.815 74.8 110.4 68.3 31.4 33.0 42.2 35.8 218 246 A V E < -J 308 0B 15 -5,-1.5 2,-0.3 -6,-0.2 -1,-0.2 -0.675 60.0-123.1-125.1-178.8 29.5 40.8 36.1 219 247 A Q E -J 307 0B 26 88,-2.7 88,-2.6 -2,-0.2 2,-0.3 -0.858 18.1-136.6-126.4 164.0 27.8 37.5 36.6 220 248 A A E -Jk 306 314B 4 93,-3.1 95,-1.9 -2,-0.3 2,-0.5 -0.899 8.5-162.4-125.3 151.2 25.2 35.5 34.7 221 249 A R E -Jk 305 315B 24 84,-2.5 84,-2.2 -2,-0.3 2,-0.4 -0.987 19.3-168.4-127.6 121.0 22.1 33.5 35.3 222 250 A V E -Jk 304 316B 3 93,-2.6 95,-3.9 -2,-0.5 2,-0.7 -0.868 19.1-141.2-114.2 145.4 20.9 31.1 32.6 223 251 A D E > - k 0 317B 59 80,-2.3 4,-0.7 -2,-0.4 3,-0.2 -0.906 10.9-156.3-102.4 109.6 17.6 29.2 32.2 224 252 A Y T >4 S+ 0 0 24 -2,-0.7 3,-0.7 93,-0.6 -1,-0.1 0.829 91.2 53.0 -56.2 -39.4 18.4 25.7 30.7 225 253 A E T 34 S+ 0 0 83 92,-0.3 -1,-0.2 1,-0.2 93,-0.0 0.950 104.3 55.8 -61.0 -46.8 15.0 25.3 29.2 226 254 A A T 34 S+ 0 0 29 -3,-0.2 -1,-0.2 77,-0.1 -2,-0.2 0.616 83.4 103.0 -64.7 -15.9 15.1 28.6 27.3 227 255 A I S << S- 0 0 12 -4,-0.7 2,-0.2 -3,-0.7 75,-0.1 -0.585 79.2-119.6 -77.1 124.4 18.3 27.7 25.5 228 256 A P - 0 0 45 0, 0.0 -76,-3.1 0, 0.0 2,-0.3 -0.444 36.8-172.7 -65.0 128.7 17.7 26.6 21.9 229 257 A K B -m 152 0C 41 -78,-0.3 -76,-0.2 -2,-0.2 3,-0.1 -0.893 26.2-107.0-125.3 153.6 18.9 23.1 21.3 230 258 A L > - 0 0 11 -78,-2.9 3,-2.3 -2,-0.3 4,-0.5 -0.516 54.2 -82.5 -77.0 146.6 19.3 21.0 18.2 231 259 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.232 113.3 0.7 -54.8 128.8 16.7 18.2 17.7 232 260 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.0 1,-0.1 5,-0.1 0.671 93.4 121.8 65.5 18.5 17.7 15.1 19.7 233 261 A V H <> S+ 0 0 0 -3,-2.3 4,-1.6 2,-0.2 5,-0.1 0.868 77.9 47.1 -73.8 -37.9 20.8 16.8 21.0 234 262 A E H > S+ 0 0 111 -4,-0.5 4,-1.7 2,-0.2 -1,-0.1 0.942 116.2 43.6 -63.6 -50.0 19.5 16.1 24.5 235 263 A E H 4 S+ 0 0 73 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.865 113.6 51.1 -64.9 -38.6 18.7 12.5 23.7 236 264 A Y H < S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.800 105.5 56.7 -71.3 -27.3 22.0 12.1 21.9 237 265 A I H >< S+ 0 0 11 -4,-1.6 3,-1.7 3,-0.2 2,-0.5 0.881 91.7 78.0 -69.1 -38.6 23.8 13.5 24.9 238 266 A K T 3< S+ 0 0 64 -4,-1.7 3,-0.0 1,-0.3 0, 0.0 -0.662 118.2 8.1 -70.5 122.0 22.2 10.7 27.0 239 267 A L T 3 S- 0 0 105 -2,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.933 126.6-125.4 55.7 51.9 24.4 7.9 26.0 240 268 A G < - 0 0 43 -3,-1.7 -3,-0.2 1,-0.1 -1,-0.1 -0.108 54.2-164.6 -59.5 161.3 26.6 10.5 24.2 241 269 A A + 0 0 17 -85,-0.2 -81,-0.2 -5,-0.1 -82,-0.2 -0.953 46.9 159.6 61.6 29.5 27.9 11.5 21.7 242 270 A V - 0 0 47 -83,-0.1 5,-0.1 -85,-0.0 -86,-0.1 -0.829 34.1-137.7-122.8 92.6 29.9 13.7 24.1 243 271 A P >> - 0 0 20 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.057 16.2-116.0 -53.7 154.0 33.1 14.9 22.2 244 272 A G H 3> S+ 0 0 54 1,-0.3 4,-0.9 2,-0.2 3,-0.2 0.693 110.5 66.8 -67.4 -22.2 36.4 15.0 24.0 245 273 A G H 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.788 90.0 67.2 -67.9 -27.6 36.7 18.7 23.6 246 274 A T H <> S+ 0 0 1 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 0.910 99.6 46.9 -58.9 -46.4 33.8 19.1 26.0 247 275 A E H X S+ 0 0 150 -4,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.785 109.1 56.4 -68.9 -26.3 35.7 17.8 29.0 248 276 A R H X S+ 0 0 50 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.913 108.5 47.8 -67.9 -44.1 38.5 20.1 28.0 249 277 A N H X>S+ 0 0 13 -4,-2.3 4,-2.6 2,-0.2 5,-0.5 0.950 112.5 46.8 -56.9 -52.7 36.1 23.0 28.2 250 278 A F H X5S+ 0 0 77 -4,-2.6 4,-1.0 1,-0.3 -1,-0.2 0.786 110.7 54.2 -66.5 -26.4 34.7 22.0 31.6 251 279 A A H <5S+ 0 0 77 -4,-1.6 -1,-0.3 -5,-0.2 4,-0.2 0.864 111.8 46.6 -66.4 -38.4 38.3 21.5 32.8 252 280 A S H <5S+ 0 0 69 -4,-1.7 -2,-0.2 -3,-0.1 -3,-0.1 0.948 136.1 3.5 -73.1 -54.8 38.9 25.1 31.7 253 281 A Y H ><5S+ 0 0 6 -4,-2.6 3,-2.9 1,-0.1 4,-0.3 0.459 96.6 104.8-108.4 -2.5 36.0 27.0 33.1 254 282 A G G >< - 0 0 65 0, 0.0 4,-2.9 0, 0.0 5,-0.3 -0.181 39.6 -97.6 -64.5 161.4 24.1 17.3 36.1 262 290 A R H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 120.4 43.7 -44.8 -63.3 26.3 15.3 33.7 263 291 A E H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 115.3 48.3 -53.6 -49.0 24.1 15.6 30.6 264 292 A V H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.942 112.0 49.9 -57.0 -51.7 23.3 19.3 31.1 265 293 A R H X S+ 0 0 78 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.916 109.9 52.4 -49.2 -47.1 27.0 20.1 31.7 266 294 A D H < S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.3 4,-0.2 0.830 111.5 44.6 -69.0 -33.2 27.8 18.2 28.5 267 295 A L H >< S+ 0 0 4 -4,-2.0 3,-1.1 -3,-0.2 -62,-0.3 0.942 114.8 47.4 -72.6 -46.6 25.3 20.2 26.3 268 296 A L H 3< S+ 0 0 0 -4,-2.8 -62,-1.8 1,-0.3 -61,-0.3 0.725 117.1 42.3 -72.2 -20.5 26.3 23.6 27.7 269 297 A C T 3< S+ 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -20,-0.2 0.388 86.1 128.6 -98.9 1.2 30.0 23.0 27.4 270 298 A D < - 0 0 1 -3,-1.1 -65,-0.5 -4,-0.2 -117,-0.2 -0.380 65.7-112.0 -66.4 128.0 29.7 21.3 23.9 271 299 A P - 0 0 23 0, 0.0 -116,-1.2 0, 0.0 2,-0.5 -0.335 26.4-160.3 -57.0 131.5 31.9 22.8 21.2 272 300 A Q > - 0 0 2 -118,-0.2 3,-0.8 -117,-0.1 2,-0.3 -0.830 3.2-157.3-115.7 100.6 30.1 24.7 18.5 273 301 A T T 3 S- 0 0 36 -2,-0.5 -72,-0.1 1,-0.3 -73,-0.0 -0.561 85.7 -3.0 -70.3 128.5 32.2 25.0 15.4 274 302 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.3 1,-0.1 -94,-0.2 0.962 100.5 165.4 50.5 65.6 30.7 28.1 13.6 275 303 A G < - 0 0 2 -75,-1.0 -93,-0.1 -3,-0.8 -1,-0.1 -0.213 34.0 -65.3-100.0-167.2 27.9 28.6 16.1 276 304 A G - 0 0 2 -126,-0.2 -76,-2.9 1,-0.1 2,-0.3 -0.112 49.7 -92.8 -78.8 171.0 25.6 31.5 16.8 277 305 A L E - I 0 199B 0 -78,-0.2 -128,-2.1 -80,-0.0 2,-0.5 -0.656 31.2-148.2 -78.7 139.5 26.0 35.0 18.0 278 306 A L E -GI 148 198B 0 -80,-2.8 -80,-2.3 -2,-0.3 2,-0.4 -0.971 20.4-166.2-111.0 119.7 25.7 35.6 21.8 279 307 A L E -GI 147 197B 0 -132,-2.3 -132,-2.0 -2,-0.5 2,-0.6 -0.873 22.9-156.1-115.0 140.3 24.3 39.1 22.7 280 308 A A E +GI 146 196B 0 -84,-2.7 -85,-2.1 -2,-0.4 -84,-2.0 -0.972 29.9 178.5-107.2 114.0 24.1 41.2 25.8 281 309 A V E -GI 145 194B 0 -136,-2.5 -136,-2.6 -2,-0.6 -87,-0.2 -0.968 28.7-125.7-127.2 124.8 21.2 43.6 25.4 282 310 A M >> - 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0 0 30 -2,-0.6 3,-0.4 1,-0.1 2,-0.1 -0.565 5.9-131.1 -82.6 143.5 61.9 46.5 6.5 518 210 B N > + 0 0 8 -124,-0.2 3,-2.7 -2,-0.2 4,-0.3 0.020 60.1 137.9 -82.7 23.0 60.8 47.9 3.1 519 211 B I T > + 0 0 67 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.696 57.4 69.0 -47.0 -26.4 59.3 50.9 4.9 520 212 B A T >> S+ 0 0 11 -3,-0.4 4,-2.2 1,-0.2 3,-1.0 0.728 80.7 76.9 -71.1 -19.2 60.7 53.3 2.2 521 213 B G H <> S+ 0 0 0 -3,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.900 85.5 61.5 -55.5 -42.8 58.4 51.9 -0.4 522 214 B A H <4 S+ 0 0 33 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.824 110.6 41.1 -53.1 -34.9 55.5 53.9 1.1 523 215 B S H X4 S+ 0 0 43 -3,-1.0 3,-1.7 -4,-0.4 -1,-0.2 0.844 106.4 61.4 -81.0 -37.4 57.5 57.0 0.3 524 216 B F H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.3 6,-0.3 0.798 99.0 59.0 -59.5 -29.3 58.7 55.9 -3.1 525 217 B A T 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.611 90.7 68.9 -78.5 -12.3 55.0 55.7 -4.2 526 218 B N T < S+ 0 0 90 -3,-1.7 2,-0.4 -5,-0.2 -1,-0.3 0.419 87.5 85.2 -84.2 2.5 54.6 59.4 -3.4 527 219 B I < - 0 0 16 -3,-1.1 3,-0.1 1,-0.1 94,-0.0 -0.849 64.2-157.7-102.9 136.6 56.8 60.2 -6.4 528 220 B E S S+ 0 0 158 -2,-0.4 -1,-0.1 1,-0.2 93,-0.1 0.941 86.5 66.1 -79.2 -42.6 55.5 60.4 -9.9 529 221 B G S S+ 0 0 9 91,-0.2 89,-1.0 88,-0.1 2,-0.7 0.768 81.8 85.5 -50.4 -29.1 58.7 59.7 -11.7 530 222 B V E -U 617 0E 17 -6,-0.3 87,-0.3 87,-0.2 -56,-0.1 -0.665 58.4-177.6 -79.5 114.3 58.9 56.2 -10.4 531 223 B K E + 0 0 48 85,-2.1 2,-0.4 -2,-0.7 86,-0.2 0.819 60.6 24.0 -85.2 -34.9 56.8 54.2 -12.8 532 224 B A E -U 616 0E 11 84,-2.0 84,-2.7 -57,-0.1 2,-0.4 -0.991 57.1-177.7-139.7 138.4 57.0 50.7 -11.3 533 225 B M E +U 615 0E 22 -2,-0.4 2,-0.3 -59,-0.3 82,-0.2 -0.941 15.3 148.5-137.7 120.8 57.6 49.2 -7.8 534 226 B T E -U 614 0E 37 80,-2.6 80,-2.8 -2,-0.4 2,-0.4 -0.898 40.4-114.1-137.3 169.8 57.7 45.6 -6.7 535 227 B D E -U 613 0E 10 -2,-0.3 2,-1.1 78,-0.3 78,-0.3 -0.871 25.1-130.2-105.6 139.9 59.5 43.5 -4.1 536 228 B V + 0 0 2 76,-3.1 2,-0.4 -2,-0.4 75,-0.2 -0.740 49.1 144.7 -95.2 102.1 62.0 40.9 -5.1 537 229 B T - 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0 0 40 -2,-1.2 -86,-0.1 -83,-0.1 5,-0.1 -0.988 46.5-127.7-126.7 117.9 71.8 26.6 -4.6 579 271 B P >> - 0 0 14 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.341 20.4-118.9 -69.9 153.3 68.2 26.1 -3.4 580 272 B G H 3> S+ 0 0 30 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.703 108.9 76.4 -62.1 -21.6 65.8 24.1 -5.5 581 273 B G H 3> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.829 88.2 57.6 -53.1 -35.6 63.7 27.2 -5.7 582 274 B T H <> S+ 0 0 0 -3,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 105.5 49.6 -67.4 -40.3 66.1 28.6 -8.2 583 275 B E H X S+ 0 0 94 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.926 109.3 50.7 -60.8 -47.7 65.5 25.6 -10.4 584 276 B R H X S+ 0 0 57 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.912 111.6 50.1 -56.5 -41.0 61.7 26.1 -10.2 585 277 B N H X S+ 0 0 3 -4,-2.2 4,-3.0 20,-0.2 5,-0.3 0.880 109.0 50.0 -64.0 -41.3 62.4 29.7 -11.1 586 278 B F H X S+ 0 0 66 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.883 107.9 53.5 -67.0 -38.2 64.5 28.8 -14.1 587 279 B A H < S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.8 40.6 -63.3 -33.4 61.8 26.4 -15.3 588 280 B S H < S+ 0 0 46 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.912 133.8 14.8 -78.5 -48.7 59.3 29.3 -15.1 589 281 B Y H >< S+ 0 0 25 -4,-3.0 3,-1.6 1,-0.1 4,-0.2 0.417 91.8 103.2-106.9 -2.7 61.4 32.3 -16.4 590 282 B G G >< S+ 0 0 9 -4,-2.2 3,-1.5 -5,-0.3 -3,-0.1 0.786 75.7 59.2 -59.1 -34.3 64.4 30.8 -18.2 591 283 B H G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.722 99.2 60.7 -68.5 -21.0 63.1 31.3 -21.7 592 284 B L G < S+ 0 0 23 -3,-1.6 60,-2.0 58,-0.1 2,-0.3 0.479 99.9 70.2 -83.7 -1.8 62.9 35.0 -21.1 593 285 B M B < S-x 652 0E 14 -3,-1.5 60,-0.2 -4,-0.2 3,-0.1 -0.811 89.8-105.9-116.8 151.2 66.7 35.1 -20.4 594 286 B G - 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