==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-SEP-05 2B4D . COMPND 2 MOLECULE: DIAMINE ACETYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.BEWLEY,V.GRAZIANO,J.S.JIANG,E.MATZ,F.W.STUDIER,A.P.PEGG, . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 21.2 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 . 4 1.2 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 . 15 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 2 0 0 4 1 1 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 2 0 2 2 0 0 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 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 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 2 A A 0 0 47 0, 0.0 2,-0.2 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 31.0 4.3 13.6 26.3 2 3 A K + 0 0 118 57,-0.0 2,-0.3 2,-0.0 60,-0.1 -0.516 360.0 160.4 -73.6 147.6 4.0 15.5 29.6 3 4 A F - 0 0 34 55,-0.2 2,-0.3 -2,-0.2 55,-0.2 -0.987 28.9-149.8-165.2 156.4 7.1 15.1 31.9 4 5 A V E -A 57 0A 64 53,-1.9 53,-2.7 -2,-0.3 2,-0.5 -0.962 16.7-133.8-132.8 151.6 9.0 16.5 34.9 5 6 A I E +A 56 0A 23 -2,-0.3 51,-0.2 51,-0.2 68,-0.0 -0.902 37.4 153.8-104.9 133.8 12.6 16.5 35.7 6 7 A R E -A 55 0A 58 49,-2.3 49,-3.4 -2,-0.5 -2,-0.0 -0.985 47.7 -86.2-154.0 161.9 13.6 15.6 39.3 7 8 A P E -A 54 0A 87 0, 0.0 47,-0.3 0, 0.0 2,-0.2 -0.328 50.7-111.2 -65.1 153.6 16.5 14.1 41.3 8 9 A A - 0 0 14 45,-2.6 2,-0.3 3,-0.0 45,-0.2 -0.614 32.5-156.0 -82.6 149.5 16.4 10.3 41.5 9 10 A T > - 0 0 73 -2,-0.2 3,-3.1 1,-0.0 4,-0.2 -0.798 37.1 -92.7-118.3 167.6 15.6 8.8 44.9 10 11 A A G > S+ 0 0 47 1,-0.3 3,-1.7 -2,-0.3 35,-0.1 0.842 125.1 63.3 -45.4 -37.8 16.5 5.3 46.3 11 12 A A G 3 S+ 0 0 80 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.737 94.9 62.5 -62.4 -20.1 13.1 4.1 45.0 12 13 A D G <> + 0 0 11 -3,-3.1 4,-2.2 1,-0.2 3,-0.3 0.393 69.6 101.8 -87.1 1.6 14.3 4.9 41.5 13 14 A C H <> S+ 0 0 5 -3,-1.7 4,-2.4 1,-0.2 5,-0.3 0.854 78.1 54.1 -58.0 -37.2 17.2 2.4 41.3 14 15 A S H > S+ 0 0 51 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.914 111.4 47.7 -63.7 -38.4 15.4 -0.2 39.2 15 16 A D H > S+ 0 0 24 -3,-0.3 4,-2.9 -4,-0.2 -2,-0.2 0.893 108.7 52.1 -69.6 -37.2 14.6 2.4 36.7 16 17 A I H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.953 112.1 45.5 -65.5 -45.6 18.1 3.8 36.5 17 18 A L H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.909 111.8 54.7 -61.3 -37.4 19.6 0.4 35.9 18 19 A R H X S+ 0 0 45 -4,-1.9 4,-3.1 -5,-0.3 -2,-0.2 0.952 111.3 43.0 -61.1 -45.2 16.8 -0.1 33.4 19 20 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.813 110.4 55.8 -70.5 -30.5 17.7 3.1 31.5 20 21 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.965 113.5 41.7 -63.4 -48.5 21.4 2.3 31.7 21 22 A K H X S+ 0 0 54 -4,-2.7 4,-4.7 2,-0.2 -2,-0.2 0.927 113.1 52.2 -63.3 -44.9 20.7 -1.1 30.0 22 23 A E H < S+ 0 0 52 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.888 112.6 47.1 -58.2 -35.8 18.3 0.6 27.6 23 24 A L H >< S+ 0 0 23 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.920 114.1 47.1 -70.1 -42.8 21.2 3.0 26.9 24 25 A A H ><>S+ 0 0 0 -4,-3.0 3,-2.5 1,-0.3 5,-2.0 0.945 109.3 52.1 -63.6 -49.9 23.5 0.0 26.6 25 26 A K T 3<5S+ 0 0 110 -4,-4.7 -1,-0.3 1,-0.3 -2,-0.1 -0.000 101.7 62.5 -79.0 33.2 21.2 -1.9 24.3 26 27 A Y T < 5S+ 0 0 108 -3,-1.1 -1,-0.3 -2,-0.5 -2,-0.2 0.208 117.5 29.6-126.4 -8.4 21.0 1.3 22.2 27 28 A E T < 5S- 0 0 95 -3,-2.5 -2,-0.2 -4,-0.1 -3,-0.1 0.106 114.5-116.2-136.4 11.5 24.7 0.7 21.7 28 29 A Y T 5S+ 0 0 203 -4,-0.2 -3,-0.3 1,-0.1 3,-0.1 0.784 87.4 111.7 52.2 37.4 24.6 -3.1 22.0 29 30 A X >>< + 0 0 73 -5,-2.0 3,-2.2 -8,-0.2 4,-0.5 0.169 34.8 121.9-115.3 8.5 26.8 -3.1 25.1 30 31 A E G >4 S+ 0 0 72 -6,-0.5 3,-0.9 1,-0.3 -5,-0.1 0.773 71.9 50.9 -44.6 -38.3 23.8 -4.3 27.2 31 32 A E G 34 S+ 0 0 159 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.742 96.9 70.4 -75.2 -20.7 25.6 -7.5 28.4 32 33 A Q G <4 S+ 0 0 109 -3,-2.2 2,-1.2 1,-0.1 -1,-0.2 0.624 72.2 105.4 -67.5 -17.7 28.6 -5.3 29.5 33 34 A V << + 0 0 7 -3,-0.9 222,-0.2 -4,-0.5 221,-0.1 -0.604 35.6 162.6 -76.1 100.0 26.5 -4.0 32.3 34 35 A I + 0 0 111 220,-1.8 221,-0.2 -2,-1.2 -1,-0.2 0.642 41.4 111.8 -85.7 -25.6 27.8 -5.7 35.4 35 36 A L - 0 0 5 219,-2.0 2,-0.2 218,-0.2 220,-0.1 -0.234 51.0-162.1 -56.6 136.5 26.2 -3.1 37.6 36 37 A T > - 0 0 63 1,-0.1 4,-2.5 219,-0.1 5,-0.2 -0.675 32.6-106.7-115.9 171.8 23.3 -4.2 39.8 37 38 A E H > S+ 0 0 100 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.845 120.5 57.5 -64.1 -37.3 20.4 -2.4 41.7 38 39 A K H > S+ 0 0 143 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.932 107.8 48.1 -60.8 -43.2 22.1 -3.1 45.0 39 40 A D H > S+ 0 0 53 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.978 112.2 47.3 -61.2 -56.7 25.2 -1.3 43.6 40 41 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 5,-0.2 0.904 116.5 46.7 -51.1 -40.6 23.2 1.7 42.3 41 42 A L H X S+ 0 0 68 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.924 117.8 38.4 -71.8 -43.8 21.4 1.8 45.7 42 43 A E H < S+ 0 0 105 -4,-3.1 4,-0.4 -5,-0.2 -2,-0.2 0.836 120.2 48.0 -75.8 -30.0 24.5 1.5 48.0 43 44 A D H < S+ 0 0 23 -4,-3.4 7,-3.4 -5,-0.3 8,-0.5 0.660 120.5 32.6 -83.9 -18.0 26.6 3.7 45.7 44 45 A G H < S+ 0 0 8 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.666 121.5 36.9-114.9 -16.3 24.2 6.6 45.3 45 46 A F S < S+ 0 0 70 -4,-1.4 -2,-0.1 -5,-0.2 -3,-0.1 0.213 91.8 93.6-125.4 19.7 22.1 6.9 48.4 46 47 A G S S- 0 0 27 -4,-0.4 -3,-0.1 2,-0.2 -4,-0.0 0.079 98.0 -64.6 -89.0-154.7 24.5 6.2 51.2 47 48 A E S S+ 0 0 171 1,-0.3 -3,-0.0 2,-0.0 -1,-0.0 0.882 130.4 23.6 -62.1 -46.4 26.6 8.6 53.4 48 49 A H S S- 0 0 97 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.913 85.1-147.8-126.6 100.4 28.8 9.7 50.5 49 50 A P - 0 0 54 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.502 4.3-155.9 -71.0 137.8 27.0 9.2 47.1 50 51 A F S S+ 0 0 49 -7,-3.4 2,-0.3 -2,-0.2 -6,-0.2 0.516 76.1 15.7 -91.6 -6.9 29.4 8.4 44.2 51 52 A Y - 0 0 3 -8,-0.5 2,-0.3 -11,-0.1 26,-0.2 -0.971 64.5-143.2-155.9 168.1 27.0 9.7 41.6 52 53 A H E - B 0 76A 70 24,-2.9 24,-2.7 -2,-0.3 2,-0.4 -0.952 15.7-160.7-133.0 150.8 23.9 11.9 41.2 53 54 A C E - B 0 75A 10 -2,-0.3 -45,-2.6 22,-0.2 2,-0.4 -0.997 13.2-162.6-142.4 135.1 21.1 11.4 38.9 54 55 A L E -AB 7 74A 12 20,-1.9 20,-2.2 -2,-0.4 2,-0.3 -0.914 24.1-164.7-104.5 137.1 18.3 13.6 37.4 55 56 A V E -AB 6 73A 0 -49,-3.4 -49,-2.3 -2,-0.4 2,-0.5 -0.858 18.2-131.6-121.7 161.6 15.4 11.6 35.9 56 57 A A E -AB 5 72A 0 16,-2.2 15,-2.2 -2,-0.3 16,-0.8 -0.964 25.3-165.3-111.6 123.7 12.5 12.4 33.6 57 58 A E E -AB 4 70A 63 -53,-2.7 -53,-1.9 -2,-0.5 13,-0.2 -0.930 1.9-160.2-117.6 132.0 9.1 11.1 34.8 58 59 A V - 0 0 3 11,-2.8 -55,-0.2 -2,-0.5 5,-0.0 -0.736 26.8 -97.2-106.6 157.0 6.0 10.9 32.6 59 60 A P > - 0 0 14 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.123 41.9 -93.6 -69.1 167.5 2.4 10.6 33.8 60 61 A K G > S+ 0 0 144 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.883 124.0 53.0 -42.7 -54.4 0.3 7.5 34.1 61 62 A E G 3 S+ 0 0 141 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.683 109.1 50.1 -62.5 -19.8 -1.1 7.8 30.5 62 63 A H G < S+ 0 0 70 -3,-1.7 -1,-0.3 -60,-0.1 -2,-0.2 0.326 79.0 137.2-103.3 10.5 2.3 8.1 29.0 63 64 A W < - 0 0 115 -3,-1.6 6,-0.2 -4,-0.4 -3,-0.0 -0.061 63.2 -97.0 -52.2 154.0 4.0 5.1 30.6 64 65 A T > - 0 0 3 4,-1.9 3,-4.0 1,-0.1 -1,-0.1 -0.357 37.2-105.4 -69.2 155.9 6.2 2.9 28.5 65 66 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 127.2 60.8 -53.6 -23.4 4.5 -0.3 27.1 66 67 A E T 3 S- 0 0 124 2,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.550 124.7-110.7 -79.5 -7.1 6.5 -2.1 29.8 67 68 A G < + 0 0 36 -3,-4.0 2,-0.4 1,-0.2 -4,-0.1 0.747 68.4 141.4 85.2 28.9 4.6 0.1 32.2 68 69 A H - 0 0 65 1,-0.1 -4,-1.9 -4,-0.1 -1,-0.2 -0.863 40.8-159.5-111.0 137.5 7.4 2.4 33.5 69 70 A S S S+ 0 0 28 -2,-0.4 -11,-2.8 -6,-0.2 2,-0.6 0.769 71.9 81.0 -83.2 -27.7 7.2 6.2 34.3 70 71 A I E +B 57 0A 0 -13,-0.2 -13,-0.2 1,-0.1 3,-0.1 -0.715 47.2 166.7 -84.3 122.0 10.9 7.2 34.0 71 72 A V E + 0 0 0 -15,-2.2 25,-2.7 -2,-0.6 2,-0.3 0.381 58.0 15.1-117.0 5.0 11.9 7.7 30.4 72 73 A G E -BC 56 95A 0 -16,-0.8 -16,-2.2 23,-0.2 2,-0.3 -0.986 57.2-176.8-168.6 164.1 15.2 9.4 30.6 73 74 A F E -BC 55 94A 0 21,-2.5 21,-2.6 -2,-0.3 2,-0.4 -0.993 19.1-147.3-162.7 165.7 18.2 10.3 32.8 74 75 A A E -BC 54 93A 0 -20,-2.2 -20,-1.9 -2,-0.3 2,-0.5 -0.991 17.1-159.9-137.6 130.7 21.5 12.1 33.4 75 76 A X E +BC 53 92A 0 17,-2.7 16,-1.8 -2,-0.4 17,-1.7 -0.957 26.3 149.7-113.8 134.8 24.1 10.7 35.7 76 77 A Y E -BC 52 90A 16 -24,-2.7 -24,-2.9 -2,-0.5 2,-0.3 -0.938 22.3-174.9-155.2 171.6 26.8 12.9 37.0 77 78 A Y E - C 0 89A 13 12,-1.8 12,-3.5 -2,-0.3 2,-0.4 -0.951 33.1 -94.2-160.9 173.6 29.2 13.8 39.8 78 79 A F E + C 0 88A 42 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.818 38.1 172.6-106.3 142.3 31.7 16.4 40.8 79 80 A T E - C 0 87A 5 8,-2.2 8,-2.4 -2,-0.4 2,-0.3 -0.638 18.7-131.6-130.9-172.1 35.3 16.3 40.0 80 81 A Y E - C 0 86A 13 6,-0.2 6,-0.2 -2,-0.2 3,-0.1 -0.989 12.9-170.7-154.6 140.0 38.2 18.7 40.4 81 82 A D E >> - C 0 85A 15 4,-2.2 3,-2.6 -2,-0.3 4,-1.9 -0.951 21.0-145.5-132.7 113.7 41.1 20.1 38.5 82 83 A P T 34 S+ 0 0 0 0, 0.0 123,-2.0 0, 0.0 124,-0.7 0.809 104.2 41.8 -47.4 -31.3 43.8 22.2 40.2 83 84 A W T 34 S+ 0 0 14 121,-0.2 121,-0.0 122,-0.2 -3,-0.0 0.153 126.5 28.7-105.9 24.2 44.1 24.2 37.0 84 85 A I T <4 S- 0 0 43 -3,-2.6 2,-0.3 1,-0.1 -1,-0.0 0.403 102.0-128.7-136.5 -55.1 40.4 24.6 36.0 85 86 A G E < -C 81 0A 7 -4,-1.9 -4,-2.2 37,-0.0 2,-0.3 -0.934 53.9 -13.4 133.3-159.8 38.5 24.4 39.3 86 87 A K E S-C 80 0A 30 34,-0.4 36,-2.6 -2,-0.3 37,-0.7 -0.611 72.9-161.4 -76.4 137.5 35.6 22.5 40.7 87 88 A L E -Cd 79 123A 3 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.6 -0.908 24.7-138.1-126.8 153.5 33.8 20.7 37.8 88 89 A L E -Cd 78 124A 0 35,-2.2 37,-2.4 -2,-0.3 2,-0.6 -0.928 26.9-156.7-101.9 125.5 30.5 19.0 37.1 89 90 A Y E -Cd 77 125A 29 -12,-3.5 -12,-1.8 -2,-0.6 2,-0.8 -0.918 4.8-151.3-110.7 116.7 31.2 15.8 35.2 90 91 A L E +C 76 0A 5 35,-2.7 37,-0.4 -2,-0.6 -14,-0.2 -0.760 19.7 173.5 -87.8 109.1 28.4 14.5 33.0 91 92 A E E + 0 0 38 -16,-1.8 2,-0.3 -2,-0.8 -15,-0.2 0.922 63.8 4.5 -83.9 -44.6 28.8 10.7 32.8 92 93 A D E -C 75 0A 24 -17,-1.7 -17,-2.7 34,-0.0 2,-0.4 -0.997 54.7-178.9-144.9 144.2 25.7 9.5 31.0 93 94 A F E +C 74 0A 46 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.950 20.7 156.9-148.6 116.0 22.8 11.4 29.3 94 95 A F E -C 73 0A 16 -21,-2.6 -21,-2.5 -2,-0.4 2,-0.4 -0.974 22.0-174.9-151.3 134.9 20.0 9.4 27.7 95 96 A V E -C 72 0A 16 -2,-0.3 -23,-0.2 -23,-0.2 5,-0.1 -0.995 39.0-108.1-126.8 133.0 16.3 9.7 26.7 96 97 A X > - 0 0 13 -25,-2.7 3,-2.5 -2,-0.4 4,-0.3 -0.321 32.5-118.7 -58.3 135.8 14.2 6.9 25.3 97 98 A S G > S+ 0 0 73 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.811 110.8 57.0 -47.9 -40.9 13.6 7.4 21.5 98 99 A D G 3 S+ 0 0 126 1,-0.2 -1,-0.3 -27,-0.0 -2,-0.1 0.417 111.9 45.3 -75.9 8.1 9.8 7.5 21.8 99 100 A Y G X S+ 0 0 21 -3,-2.5 3,-0.5 -28,-0.1 5,-0.3 0.333 88.6 109.3-129.1 6.3 10.2 10.4 24.2 100 101 A R T < + 0 0 89 -3,-1.3 -4,-0.0 -4,-0.3 -3,-0.0 -0.510 64.8 39.2 -84.3 150.2 12.8 12.4 22.4 101 102 A G T 3 S+ 0 0 79 -2,-0.2 -1,-0.2 0, 0.0 -4,-0.0 0.593 86.7 95.3 89.0 12.6 12.0 15.8 20.8 102 103 A F S < S- 0 0 115 -3,-0.5 -2,-0.1 -100,-0.0 0, 0.0 0.223 106.1 -92.1-118.0 12.5 9.7 17.1 23.5 103 104 A G S > S+ 0 0 30 3,-0.0 4,-2.4 4,-0.0 5,-0.2 0.428 89.1 123.0 94.5 -0.4 12.2 19.1 25.5 104 105 A I H > S+ 0 0 4 -5,-0.3 4,-2.2 2,-0.2 5,-0.1 0.941 78.7 43.4 -60.2 -49.1 13.3 16.5 28.0 105 106 A G H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 113.5 53.8 -63.0 -40.4 17.0 16.7 27.1 106 107 A S H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 108.9 47.3 -62.3 -40.6 16.9 20.4 27.0 107 108 A E H X S+ 0 0 68 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.898 109.9 53.1 -69.4 -38.1 15.4 20.7 30.4 108 109 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.934 109.8 48.2 -61.0 -45.2 17.9 18.3 31.9 109 110 A L H X S+ 0 0 3 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.834 110.8 51.3 -62.7 -37.4 20.8 20.4 30.5 110 111 A K H X S+ 0 0 27 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.967 113.4 43.9 -66.0 -49.4 19.3 23.6 31.8 111 112 A N H X S+ 0 0 37 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.873 111.9 52.9 -65.2 -37.1 18.9 22.1 35.4 112 113 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.914 110.0 50.2 -63.4 -36.2 22.4 20.5 35.2 113 114 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.877 110.2 48.8 -66.7 -37.5 23.7 24.0 34.3 114 115 A Q H X S+ 0 0 74 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 109.8 51.4 -67.7 -42.3 21.8 25.5 37.3 115 116 A V H X S+ 0 0 34 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.919 108.3 53.6 -61.1 -41.0 23.3 22.8 39.6 116 117 A A H <>S+ 0 0 1 -4,-2.2 5,-2.7 1,-0.2 4,-0.5 0.909 108.3 48.2 -58.5 -46.3 26.7 23.8 38.2 117 118 A X H ><5S+ 0 0 37 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.898 111.6 50.8 -63.2 -40.3 26.1 27.5 39.1 118 119 A R H 3<5S+ 0 0 202 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.933 112.7 45.7 -60.5 -46.9 25.0 26.4 42.6 119 120 A C T 3<5S- 0 0 43 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.483 111.1-122.3 -76.3 -2.4 28.1 24.3 43.1 120 121 A R T < 5 + 0 0 194 -3,-0.7 -34,-0.4 -4,-0.5 2,-0.3 0.883 48.8 172.3 60.7 42.3 30.3 27.0 41.7 121 122 A C < - 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0 0 2 -5,-2.8 -34,-0.2 -6,-0.1 -1,-0.2 -0.816 27.6-153.0 -95.5 136.0 36.9 0.3 42.4 293 123 B S S S- 0 0 32 -36,-2.2 -133,-2.0 -2,-0.4 2,-0.3 0.670 72.1 -0.5 -81.5 -18.5 36.9 -1.6 39.2 294 124 B S E -G 159 0B 0 -37,-0.4 -35,-2.3 -135,-0.2 2,-0.4 -0.968 62.0-125.2-161.8 164.5 39.4 0.5 37.3 295 125 B X E -Gl 158 259B 0 -137,-1.7 -137,-1.9 -2,-0.3 2,-0.3 -0.995 28.0-167.2-122.0 126.5 41.6 3.6 37.6 296 126 B H E +Gl 157 260B 25 -37,-2.0 -35,-3.0 -2,-0.4 2,-0.3 -0.835 16.9 147.6-113.6 156.2 41.2 6.3 35.0 297 127 B F E -G 156 0B 3 -141,-1.7 -141,-3.0 -2,-0.3 2,-0.4 -0.965 39.0-107.1-173.7 164.4 43.5 9.3 34.2 298 128 B L E -G 155 0B 42 -37,-0.5 2,-0.4 -2,-0.3 -143,-0.2 -0.829 23.8-165.3-107.2 149.0 44.6 11.6 31.3 299 129 B V E -G 154 0B 5 -145,-2.8 -145,-2.8 -2,-0.4 2,-0.1 -0.992 26.7-110.5-130.9 140.4 48.0 11.6 29.8 300 130 B A E > -G 153 0B 1 -2,-0.4 3,-1.8 -147,-0.2 -147,-0.2 -0.414 29.2-116.3 -69.4 142.9 49.4 14.2 27.5 301 131 B E T 3 S+ 0 0 89 -149,-2.5 -1,-0.1 1,-0.3 -148,-0.1 0.819 112.6 36.7 -40.0 -46.7 49.9 13.3 23.8 302 132 B W T 3 S+ 0 0 137 -150,-0.2 2,-2.4 1,-0.1 -1,-0.3 0.329 81.1 112.0 -96.5 1.5 53.8 13.6 23.9 303 133 B N <> + 0 0 9 -3,-1.8 4,-2.8 1,-0.2 3,-0.2 -0.428 34.2 163.3 -79.2 68.8 54.4 12.3 27.4 304 134 B E H > + 0 0 105 -2,-2.4 4,-2.7 1,-0.2 5,-0.3 0.890 69.7 58.0 -52.6 -42.9 56.2 9.1 26.2 305 135 B P H > S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.909 113.0 38.1 -56.7 -45.0 57.7 8.5 29.7 306 136 B S H > S+ 0 0 31 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.888 112.2 57.0 -76.0 -38.8 54.3 8.4 31.3 307 137 B I H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.964 114.1 39.8 -56.0 -49.7 52.6 6.6 28.5 308 138 B N H X S+ 0 0 48 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.893 113.0 54.8 -67.8 -39.9 55.2 3.7 28.8 309 139 B F H < S+ 0 0 43 -4,-2.1 4,-0.2 -5,-0.3 -1,-0.2 0.937 114.9 40.8 -57.0 -47.9 55.3 3.8 32.6 310 140 B Y H ><>S+ 0 0 13 -4,-3.0 5,-2.2 2,-0.2 3,-1.3 0.934 116.3 47.7 -66.0 -50.6 51.5 3.3 32.6 311 141 B K H ><5S+ 0 0 96 -4,-2.8 3,-2.1 -5,-0.3 -2,-0.2 0.876 105.1 58.4 -61.7 -39.6 51.3 0.8 29.8 312 142 B R T 3<5S+ 0 0 186 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.653 107.9 51.0 -67.4 -8.4 54.1 -1.4 31.2 313 143 B R T < 5S- 0 0 81 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.224 134.1 -85.6-114.0 17.9 51.9 -1.6 34.2 314 144 B G T < 5S+ 0 0 19 -3,-2.1 -155,-0.5 1,-0.3 -3,-0.2 0.433 77.2 145.9 101.5 -0.6 48.7 -2.7 32.4 315 145 B A < - 0 0 11 -5,-2.2 2,-0.4 -157,-0.2 -1,-0.3 -0.284 29.6-158.7 -69.2 153.4 47.2 0.6 31.3 316 146 B S E -H 157 0B 20 -159,-2.3 -159,-2.0 4,-0.0 2,-0.8 -0.992 22.6-118.1-133.9 145.0 45.4 1.0 28.0 317 147 B D E > -H 156 0B 12 -2,-0.4 4,-2.5 -161,-0.2 -161,-0.3 -0.730 24.4-172.7 -82.4 105.6 44.7 4.1 26.0 318 148 B L H > S+ 0 0 7 -163,-1.8 4,-2.0 -2,-0.8 6,-1.1 0.698 82.9 64.3 -73.6 -23.8 40.8 4.4 25.9 319 149 B S H > S+ 0 0 4 -164,-1.4 4,-0.5 4,-0.2 -1,-0.2 0.860 113.6 34.8 -68.6 -30.3 41.1 7.4 23.4 320 150 B S H 4 S+ 0 0 72 -165,-0.3 -2,-0.2 -3,-0.2 -1,-0.1 0.950 122.9 42.6 -82.5 -57.3 42.6 4.9 21.0 321 151 B E H < S+ 0 0 121 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.843 134.5 17.2 -58.8 -38.6 40.7 1.7 21.9 322 152 B E H < S- 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -3,-0.2 0.416 96.5-121.7-120.7 5.5 37.3 3.4 22.2 323 153 B G < + 0 0 6 -4,-0.5 -193,-3.3 -5,-0.2 -4,-0.2 0.627 49.3 166.3 64.3 20.7 37.6 6.7 20.4 324 154 B W E -E 129 0A 83 -6,-1.1 2,-0.4 -195,-0.2 -169,-0.3 -0.379 17.2-169.3 -71.9 140.0 36.7 8.9 23.5 325 155 B R E -E 128 0A 45 -197,-1.8 -197,-2.0 -2,-0.1 2,-0.5 -1.000 23.3-125.7-126.7 131.6 37.4 12.6 23.4 326 156 B L E -E 127 0A 10 -2,-0.4 -178,-1.8 -173,-0.3 -179,-1.2 -0.687 31.7-169.6 -79.0 123.4 37.2 14.8 26.5 327 157 B F E -EF 126 146A 1 -201,-3.6 -201,-2.0 -2,-0.5 2,-0.3 -0.805 3.6-164.5-110.3 153.2 34.8 17.7 25.8 328 158 B K E -EF 125 145A 51 -183,-1.9 -183,-1.9 -2,-0.3 2,-0.4 -0.966 15.1-165.5-137.2 152.2 34.2 20.8 28.0 329 159 B I E -E 124 0A 1 -205,-1.8 -205,-1.9 -2,-0.3 -185,-0.2 -0.932 29.1-143.2-134.9 110.3 31.6 23.5 28.2 330 160 B D E >> -E 123 0A 51 -187,-0.4 4,-1.7 -2,-0.4 3,-1.3 -0.212 27.9 -88.4 -77.6 170.6 32.8 26.4 30.4 331 161 B K H 3> S+ 0 0 113 -209,-2.2 4,-2.7 1,-0.3 5,-0.2 0.815 120.0 58.1 -45.7 -49.3 30.9 28.6 32.8 332 162 B E H 3> S+ 0 0 138 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.873 112.2 42.3 -55.2 -35.7 29.8 31.3 30.4 333 163 B Y H <> S+ 0 0 86 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.800 110.7 54.9 -81.5 -27.8 28.0 28.7 28.3 334 164 B L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.926 107.3 51.9 -64.6 -42.4 26.6 26.9 31.3 335 165 B L H X S+ 0 0 73 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.915 107.2 53.1 -57.7 -43.9 25.2 30.3 32.3 336 166 B K H X S+ 0 0 117 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.2 0.918 113.5 42.3 -59.4 -45.9 23.6 30.7 28.9 337 167 B X H X S+ 0 0 24 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.837 113.5 52.5 -72.5 -31.8 21.9 27.3 29.2 338 168 B A H < S+ 0 0 7 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 117.7 36.5 -69.7 -41.4 20.9 27.9 32.8 339 169 B T H < S+ 0 0 99 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.439 94.8 90.0 -93.0 2.3 19.2 31.2 32.1 340 170 B E H < 0 0 102 -4,-0.6 -1,-0.1 -5,-0.2 -2,-0.1 0.987 360.0 360.0 -65.8 -57.2 17.7 30.3 28.7 341 171 B E < 0 0 153 -4,-0.5 -2,-0.1 -3,-0.1 -1,-0.1 0.826 360.0 360.0-100.0 360.0 14.3 28.9 29.6