==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-09 2WT9 . COMPND 2 MOLECULE: NICOTINAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR P.K.FYFE,V.A.RAO,A.ZEMLA,S.CAMERON,W.N.HUNTER . 415 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 1 0 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 1 2 4 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 . 4 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 1 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 K 0 0 200 0, 0.0 41,-0.2 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 -8.9 41.2 5.3 11.0 2 6 A Q - 0 0 33 39,-2.7 41,-0.3 1,-0.1 4,-0.0 -0.614 360.0 -97.8 -64.9 147.7 39.8 2.1 12.4 3 7 A P > - 0 0 73 0, 0.0 3,-1.5 0, 0.0 40,-0.3 -0.135 32.6-100.0 -66.8 171.2 41.1 -0.6 10.1 4 8 A Q T 3 S+ 0 0 97 1,-0.3 -2,-0.0 39,-0.1 38,-0.0 0.638 116.9 67.3 -67.2 -18.1 39.0 -2.0 7.2 5 9 A N T 3 S+ 0 0 58 137,-0.1 138,-2.7 138,-0.1 139,-1.6 0.379 92.0 74.6 -86.0 5.1 38.0 -5.1 9.2 6 10 A S E < -a 144 0A 3 -3,-1.5 38,-0.5 136,-0.2 2,-0.3 -0.888 59.6-171.8-119.8 148.2 36.0 -3.1 11.6 7 11 A A E -a 145 0A 0 137,-2.0 139,-2.5 -2,-0.3 2,-0.5 -0.986 20.9-133.2-137.1 148.4 32.5 -1.5 11.2 8 12 A L E -ab 146 45A 0 36,-2.1 38,-2.9 -2,-0.3 2,-0.6 -0.908 18.8-157.6 -99.2 123.9 30.3 0.9 13.2 9 13 A V E -ab 147 46A 0 137,-3.1 139,-2.3 -2,-0.5 2,-0.8 -0.926 3.2-160.2-105.3 114.0 26.7 -0.2 13.4 10 14 A V E -ab 148 47A 1 36,-3.0 38,-2.4 -2,-0.6 2,-0.5 -0.856 12.9-151.1-101.9 103.3 24.3 2.7 14.1 11 15 A V E -a 149 0A 0 137,-2.9 139,-2.6 -2,-0.8 3,-0.1 -0.657 54.3 -38.6 -88.9 113.6 21.0 1.3 15.5 12 16 A D + 0 0 0 -2,-0.5 2,-2.1 36,-0.5 -1,-0.2 0.814 58.3 172.4 47.6 50.1 17.7 3.1 15.0 13 17 A V + 0 0 1 35,-0.5 83,-2.2 -3,-0.3 2,-0.3 -0.577 36.8 145.8 -81.6 70.9 18.6 6.7 15.4 14 18 A Q B >> -L 95 0B 0 -2,-2.1 3,-1.2 81,-0.3 4,-0.6 -0.785 68.0-112.6-115.4 153.9 15.1 7.5 14.2 15 19 A N G >4 S+ 0 0 13 79,-2.8 3,-1.2 76,-0.4 6,-0.4 0.877 113.6 63.4 -48.9 -39.7 12.5 10.2 15.0 16 20 A G G 34 S+ 0 0 0 76,-2.2 7,-2.6 78,-0.3 -1,-0.2 0.783 106.2 39.3 -62.1 -30.7 10.4 7.5 16.6 17 21 A F G <4 S+ 0 0 13 -3,-1.2 8,-2.0 75,-0.2 -1,-0.3 0.360 107.0 76.9-102.9 3.9 12.8 6.6 19.4 18 22 A T S X< S- 0 0 1 -3,-1.2 3,-3.3 -4,-0.6 5,-0.1 -0.731 102.3 -69.1-115.5 160.5 13.9 10.2 20.1 19 23 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.259 126.2 34.3 -46.9 121.1 12.1 13.1 22.0 20 24 A G T 3 S+ 0 0 85 1,-0.4 -4,-0.1 -4,-0.1 -5,-0.1 -0.145 101.2 108.9 116.4 -28.8 9.1 14.0 19.8 21 25 A G S X S- 0 0 16 -3,-3.3 3,-0.8 -6,-0.4 -1,-0.4 -0.096 83.3-106.0 -82.0 176.5 8.5 10.5 18.5 22 26 A N T 3 S+ 0 0 94 1,-0.3 -5,-0.1 -3,-0.1 -6,-0.1 0.776 121.5 26.7 -72.3 -27.8 5.9 7.8 19.1 23 27 A L T 3 S- 0 0 14 -7,-2.6 2,-0.3 -5,-0.1 -1,-0.3 -0.473 90.0-175.6-132.6 59.1 8.3 5.8 21.3 24 28 A A < - 0 0 51 -3,-0.8 2,-0.6 -6,-0.1 -6,-0.2 -0.426 16.3-155.3 -73.7 125.0 10.5 8.5 22.6 25 29 A V > - 0 0 9 -8,-2.0 3,-1.9 -2,-0.3 4,-0.2 -0.840 34.0-108.7-100.6 120.9 13.4 7.5 24.8 26 30 A A T 3 S+ 0 0 72 -2,-0.6 153,-0.1 1,-0.3 -1,-0.0 -0.235 95.1 0.5 -55.1 134.5 14.3 10.5 27.1 27 31 A D T > S+ 0 0 96 1,-0.1 3,-1.6 151,-0.1 4,-0.3 0.445 89.3 128.3 72.1 4.0 17.6 12.3 26.2 28 32 A A G X + 0 0 0 -3,-1.9 3,-0.9 1,-0.3 4,-0.1 0.748 64.4 62.1 -69.2 -21.5 18.2 9.9 23.3 29 33 A D G > S+ 0 0 52 -4,-0.2 3,-1.6 1,-0.2 -1,-0.3 0.754 90.0 73.7 -68.8 -23.0 18.7 12.8 20.9 30 34 A T G < S+ 0 0 77 -3,-1.6 4,-0.3 1,-0.3 -1,-0.2 0.684 87.0 59.0 -70.0 -16.9 21.7 13.8 23.1 31 35 A I G <> S+ 0 0 3 -3,-0.9 4,-2.3 -4,-0.3 -1,-0.3 0.562 82.6 87.7 -80.1 -11.1 23.9 10.9 21.8 32 36 A I H <> S+ 0 0 0 -3,-1.6 4,-3.0 1,-0.2 5,-0.3 0.935 82.7 52.5 -67.1 -46.3 23.7 12.0 18.2 33 37 A P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.908 110.7 48.7 -56.9 -40.8 26.7 14.3 18.1 34 38 A T H > S+ 0 0 37 -4,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.919 111.5 51.0 -60.7 -41.6 28.9 11.6 19.6 35 39 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.944 108.3 50.1 -62.8 -44.2 27.6 9.2 17.0 36 40 A N H X S+ 0 0 42 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.920 113.3 47.7 -57.2 -44.1 28.4 11.6 14.2 37 41 A Q H >< S+ 0 0 126 -4,-2.2 3,-0.7 -5,-0.3 4,-0.4 0.909 110.4 51.4 -65.0 -42.6 31.9 12.1 15.5 38 42 A L H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.2 4,-0.4 0.888 99.9 62.2 -61.4 -43.2 32.5 8.4 16.0 39 43 A A H >< S+ 0 0 3 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.837 95.6 64.2 -53.1 -28.2 31.4 7.6 12.4 40 44 A G T << S+ 0 0 65 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.702 95.3 57.9 -71.1 -20.5 34.4 9.8 11.3 41 45 A C T < S+ 0 0 24 -3,-2.0 -39,-2.7 -4,-0.4 2,-0.3 0.535 98.4 77.1 -77.1 -11.5 36.8 7.3 12.9 42 46 A F < - 0 0 12 -3,-1.4 3,-0.1 -4,-0.4 -38,-0.1 -0.848 58.5-158.4-111.7 144.1 35.5 4.4 10.8 43 47 A E S S+ 0 0 83 -2,-0.3 2,-0.5 -40,-0.3 -1,-0.1 0.780 91.1 45.6 -73.5 -35.0 36.1 3.3 7.2 44 48 A N + 0 0 2 -38,-0.5 -36,-2.1 -41,-0.2 2,-0.4 -0.960 65.6 173.2-125.7 123.8 32.8 1.3 7.3 45 49 A V E -b 8 0A 0 -2,-0.5 60,-2.8 58,-0.3 61,-0.6 -0.998 7.4-171.8-136.5 128.0 29.6 2.5 8.6 46 50 A V E -bc 9 106A 1 -38,-2.9 -36,-3.0 -2,-0.4 2,-0.4 -0.968 9.4-154.3-117.4 137.3 26.1 0.7 8.5 47 51 A L E -bc 10 107A 8 59,-2.7 61,-2.7 -2,-0.4 2,-0.3 -0.890 6.3-153.8-110.1 140.3 22.8 2.3 9.6 48 52 A T E - c 0 108A 0 -38,-2.4 -36,-0.5 -2,-0.4 -35,-0.5 -0.830 6.1-165.5-109.2 154.2 19.8 0.3 10.8 49 53 A Q E - c 0 109A 9 59,-1.8 61,-1.8 -2,-0.3 2,-0.2 -0.955 21.7-133.4-145.1 115.7 16.1 1.4 10.6 50 54 A D E - c 0 110A 3 -2,-0.4 61,-0.2 59,-0.2 2,-0.2 -0.531 33.2-179.4 -63.6 137.2 13.2 -0.1 12.4 51 55 A W + 0 0 14 59,-2.4 36,-0.2 -2,-0.2 35,-0.1 -0.612 3.4 173.9-155.5 72.2 10.7 -0.4 9.5 52 56 A H B -m 87 0C 0 34,-2.1 36,-2.1 33,-0.3 60,-0.2 -0.626 29.2-126.5 -95.6 142.0 7.3 -1.8 10.5 53 57 A P > - 0 0 25 0, 0.0 3,-2.4 0, 0.0 -1,-0.0 -0.489 33.9-110.9 -77.2 165.0 4.1 -2.2 8.6 54 58 A D T 3 S+ 0 0 107 1,-0.3 5,-0.1 -2,-0.1 33,-0.0 0.807 119.6 58.9 -66.6 -23.9 1.0 -0.7 10.2 55 59 A N T 3 S+ 0 0 85 3,-0.0 -1,-0.3 2,-0.0 4,-0.0 0.376 79.5 146.4 -77.3 -3.7 -0.1 -4.3 10.7 56 60 A H X - 0 0 0 -3,-2.4 3,-1.7 1,-0.1 6,-0.3 -0.047 51.7-136.1 -59.1 139.5 2.9 -5.2 12.8 57 61 A I T 3 S+ 0 0 26 57,-2.7 -1,-0.1 1,-0.3 58,-0.1 0.694 98.0 67.3 -62.7 -21.4 2.5 -7.8 15.5 58 62 A S T 3 S+ 0 0 0 56,-0.2 24,-2.8 23,-0.1 2,-0.5 0.595 79.3 97.4 -79.9 -8.5 4.7 -5.8 18.0 59 63 A F B X -n 82 0D 0 -3,-1.7 3,-1.8 22,-0.2 25,-0.1 -0.708 66.9-148.0 -84.7 126.3 2.1 -2.9 18.3 60 64 A A G > S+ 0 0 6 22,-2.7 3,-2.2 -2,-0.5 6,-0.4 0.868 97.4 69.5 -52.9 -36.3 -0.3 -3.0 21.2 61 65 A A G 3 S+ 0 0 62 21,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.741 93.5 57.3 -59.5 -24.2 -2.9 -1.4 18.9 62 66 A N G < S+ 0 0 55 -3,-1.8 -1,-0.3 -6,-0.3 -2,-0.2 0.146 98.1 63.6 -94.0 17.4 -3.1 -4.7 16.9 63 67 A H S X S- 0 0 42 -3,-2.2 3,-2.2 3,-0.2 -1,-0.2 -0.743 86.4-138.1-139.4 85.2 -4.1 -6.8 19.9 64 68 A P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.155 88.0 21.2 -42.7 131.6 -7.5 -5.6 21.3 65 69 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -4,-0.1 -4,-0.1 0.413 101.8 109.5 82.4 -2.3 -7.6 -5.5 25.1 66 70 A K < - 0 0 90 -3,-2.2 -1,-0.3 -6,-0.4 -3,-0.2 -0.824 57.0-141.0-103.4 154.4 -3.7 -5.3 25.4 67 71 A Q > - 0 0 129 -2,-0.3 3,-1.9 -3,-0.1 14,-0.2 -0.815 27.7 -92.4-112.5 145.6 -1.7 -2.3 26.5 68 72 A P T 3 S+ 0 0 53 0, 0.0 14,-0.3 0, 0.0 3,-0.1 -0.247 112.2 24.8 -47.7 139.7 1.6 -0.8 25.4 69 73 A F T 3 S+ 0 0 93 12,-3.8 2,-0.2 1,-0.3 13,-0.1 0.281 94.7 115.6 79.1 -1.2 4.5 -2.2 27.5 70 74 A E < - 0 0 66 -3,-1.9 11,-3.0 11,-0.1 2,-0.4 -0.555 63.2-127.6 -87.9 161.5 2.7 -5.4 28.4 71 75 A T E -O 80 0E 77 9,-0.2 2,-0.3 -2,-0.2 9,-0.3 -0.853 23.0-171.6-110.4 141.1 4.1 -8.7 27.2 72 76 A I E -O 79 0E 19 7,-2.6 7,-2.2 -2,-0.4 2,-0.6 -0.896 27.5-109.3-125.9 164.6 2.1 -11.4 25.3 73 77 A E E +O 78 0E 137 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.847 39.7 174.3 -98.6 123.0 3.0 -14.9 24.2 74 78 A L E > -O 77 0E 32 3,-2.7 3,-1.5 -2,-0.6 5,-0.0 -0.588 49.5 -86.6-112.8 178.0 3.6 -15.5 20.5 75 79 A D T 3 S+ 0 0 174 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.893 128.6 44.5 -50.9 -43.5 4.8 -18.5 18.5 76 80 A Y T 3 S- 0 0 42 1,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.441 123.6 -94.9 -87.8 2.4 8.4 -17.6 19.0 77 81 A G E < S+O 74 0E 22 -3,-1.5 -3,-2.7 2,-0.0 -1,-0.3 -0.858 77.7 4.6 122.9-157.1 8.1 -16.8 22.7 78 82 A S E -O 73 0E 78 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.337 56.7-171.2 -69.7 143.3 7.5 -13.6 24.7 79 83 A Q E -O 72 0E 5 -7,-2.2 -7,-2.6 -2,-0.0 2,-0.3 -0.963 16.6-140.8-136.3 113.9 6.9 -10.3 22.8 80 84 A V E -O 71 0E 25 -2,-0.4 2,-0.4 -9,-0.3 -9,-0.2 -0.572 22.6-135.4 -65.4 136.2 6.7 -6.9 24.4 81 85 A L - 0 0 0 -11,-3.0 -12,-3.8 -2,-0.3 -22,-0.2 -0.788 26.0-170.9 -97.3 143.0 4.0 -4.8 22.9 82 86 A W B -n 59 0D 7 -24,-2.8 -22,-2.7 -2,-0.4 -21,-0.5 -0.806 30.1 -88.6-124.7 161.0 4.6 -1.2 22.0 83 87 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.315 68.5 -80.9 -50.0 153.3 3.1 2.1 20.9 84 88 A K S S+ 0 0 96 -25,-0.1 2,-0.3 -62,-0.1 -30,-0.1 -0.406 70.4 164.6 -59.2 135.1 2.9 2.4 17.1 85 89 A H + 0 0 4 -3,-0.1 -33,-0.3 -2,-0.1 8,-0.1 -0.990 41.5 7.1-156.7 152.7 6.3 3.4 15.9 86 90 A C - 0 0 0 -2,-0.3 -34,-2.1 1,-0.2 2,-0.2 0.839 68.2-175.6 49.1 43.1 8.5 3.7 12.9 87 91 A I B > -m 52 0C 35 -36,-0.2 3,-2.3 1,-0.1 6,-0.5 -0.513 39.8 -87.0 -69.9 138.1 5.8 2.7 10.4 88 92 A Q T 3 S+ 0 0 36 -36,-2.1 -1,-0.1 1,-0.3 -34,-0.1 -0.190 109.6 6.4 -51.2 126.2 7.3 2.4 6.8 89 93 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 221,-0.2 2,-0.1 0.275 101.6 118.0 86.2 -7.2 7.3 5.7 5.0 90 94 A T S X S- 0 0 55 -3,-2.3 3,-0.6 1,-0.1 4,-0.5 -0.448 77.7-111.9 -89.4 163.8 6.2 7.9 7.9 91 95 A H G > S+ 0 0 127 1,-0.2 3,-1.2 2,-0.2 -76,-0.4 0.856 117.2 62.9 -54.3 -39.3 8.0 10.8 9.6 92 96 A D G 3 S+ 0 0 12 1,-0.3 -76,-2.2 -77,-0.2 -1,-0.2 0.838 102.1 50.1 -58.7 -36.5 8.3 8.6 12.7 93 97 A A G < S+ 0 0 0 -3,-0.6 -1,-0.3 -6,-0.5 -2,-0.2 0.595 91.3 102.6 -79.2 -16.5 10.4 6.1 10.7 94 98 A E S < S- 0 0 102 -3,-1.2 -79,-2.8 -4,-0.5 -78,-0.3 -0.299 82.6 -94.7 -68.9 156.2 12.8 8.6 9.3 95 99 A F B -L 14 0B 54 -81,-0.2 -81,-0.3 1,-0.1 -1,-0.1 -0.359 52.2 -92.3 -62.4 151.2 16.4 9.2 10.6 96 100 A H > - 0 0 23 -83,-2.2 3,-2.4 1,-0.1 -1,-0.1 -0.448 32.6-123.7 -67.4 137.7 16.7 12.0 13.2 97 101 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.748 109.9 59.4 -56.1 -26.3 17.5 15.3 11.4 98 102 A D T 3 S+ 0 0 90 2,-0.0 2,-0.2 -62,-0.0 -62,-0.1 0.684 78.6 103.8 -78.1 -19.3 20.6 15.7 13.6 99 103 A L < + 0 0 25 -3,-2.4 2,-0.3 -86,-0.1 -67,-0.0 -0.528 47.7 177.8 -66.2 130.1 22.1 12.4 12.3 100 104 A N + 0 0 110 -2,-0.2 3,-0.1 -68,-0.2 -1,-0.1 -0.761 22.5 136.6-140.2 84.9 24.8 13.4 9.9 101 105 A I > + 0 0 17 -2,-0.3 3,-1.9 1,-0.1 196,-0.1 -0.625 12.8 167.1-131.8 75.2 26.8 10.4 8.4 102 106 A P T 3 S+ 0 0 53 0, 0.0 195,-0.2 0, 0.0 -1,-0.1 0.785 76.2 61.2 -61.2 -26.0 27.2 11.1 4.7 103 107 A T T 3 S+ 0 0 61 -3,-0.1 -58,-0.3 193,-0.1 217,-0.0 0.456 72.2 129.6 -78.5 -0.3 29.8 8.3 4.5 104 108 A A < - 0 0 0 -3,-1.9 -58,-0.2 1,-0.1 3,-0.1 -0.324 41.0-165.9 -59.4 138.7 27.3 5.6 5.6 105 109 A Q + 0 0 9 -60,-2.8 212,-1.5 1,-0.2 2,-0.3 0.514 62.4 29.5-108.6 -11.0 27.5 2.7 3.1 106 110 A L E -cD 46 316A 1 -61,-0.6 -59,-2.7 210,-0.2 2,-0.5 -0.988 50.3-161.9-153.7 145.6 24.3 0.6 4.0 107 111 A I E -cD 47 315A 2 208,-2.2 208,-2.0 -2,-0.3 2,-0.5 -0.922 19.4-170.3-133.7 96.8 20.9 1.2 5.3 108 112 A I E -cD 48 314A 2 -61,-2.7 -59,-1.8 -2,-0.5 2,-0.2 -0.850 7.3-153.7 -95.6 125.8 19.3 -2.1 6.6 109 113 A R E -c 49 0A 27 204,-2.1 2,-0.3 -2,-0.5 -59,-0.2 -0.646 16.1-178.4 -96.0 147.2 15.6 -2.1 7.5 110 114 A K E +c 50 0A 1 -61,-1.8 -59,-2.4 -2,-0.2 8,-0.1 -0.945 53.7 46.7-140.6 159.5 14.3 -4.6 10.0 111 115 A G + 0 0 0 -2,-0.3 -1,-0.1 -61,-0.2 7,-0.1 0.663 69.1 129.1 85.6 16.8 11.0 -5.5 11.6 112 116 A F + 0 0 24 -60,-0.2 2,-0.5 -3,-0.1 5,-0.1 0.605 40.0 93.4 -89.0 -11.4 9.3 -5.5 8.2 113 117 A H S > S- 0 0 59 3,-0.4 3,-1.4 1,-0.1 -56,-0.2 -0.736 75.3-139.4 -77.7 125.8 7.6 -8.9 8.4 114 118 A A T 3 S+ 0 0 22 -2,-0.5 -57,-2.7 1,-0.3 -56,-0.2 0.803 97.7 39.4 -56.1 -32.0 4.1 -8.3 9.8 115 119 A H T 3 S+ 0 0 126 -59,-0.2 2,-0.4 -58,-0.1 -1,-0.3 0.455 110.3 58.0-103.2 3.3 4.2 -11.3 12.1 116 120 A I < - 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0 0 10 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.584 46.2-127.1 -64.3 129.4 20.6 -12.5 -18.5 407 203 B V E -k 379 0A 49 -29,-2.8 -27,-2.8 -2,-0.3 2,-0.8 -0.749 12.4-145.4 -86.9 124.3 17.0 -12.8 -19.5 408 204 B R E +k 380 0A 112 -2,-0.6 2,-0.2 -29,-0.2 -27,-0.2 -0.767 34.1 163.4 -86.7 109.4 15.6 -9.7 -21.2 409 205 B I E -k 381 0A 20 -29,-2.7 -27,-2.4 -2,-0.8 -26,-0.4 -0.770 32.4-125.1-122.1 167.2 11.9 -9.3 -20.2 410 206 B Q >> - 0 0 64 -2,-0.2 3,-2.1 -29,-0.2 4,-0.7 -0.852 29.0-114.3-108.6 157.6 9.1 -6.7 -20.2 411 207 B S H >> S+ 0 0 9 -2,-0.3 4,-2.2 1,-0.3 3,-1.1 0.843 114.8 64.1 -57.2 -32.8 7.1 -5.4 -17.2 412 208 B T H 3> S+ 0 0 81 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.736 90.7 65.6 -67.6 -21.4 4.0 -7.0 -18.8 413 209 B D H <4 S+ 0 0 102 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.855 114.0 30.0 -67.7 -34.0 5.5 -10.4 -18.4 414 210 B L H << S+ 0 0 22 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.811 118.1 52.5 -89.5 -35.6 5.4 -10.0 -14.6 415 211 B L H < 0 0 42 -4,-2.2 -3,-0.2 0, 0.0 -2,-0.1 0.764 360.0 360.0 -79.7 -23.5 2.3 -7.8 -14.1 416 212 B N < 0 0 166 -4,-1.3 -3,-0.1 -5,-0.3 -4,-0.0 0.095 360.0 360.0-130.1 360.0 0.1 -10.1 -16.2