==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAY-13 4KWV . COMPND 2 MOLECULE: NICOTINATE-NUCLEOTIDE PYROPHOSPHORYLASE [CARBOXYL . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.S.MALIK,D.N.PATTERSON,Z.NCUBE,E.A.TOTH . 1720 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1278 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 8.5 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 . 0 0.0 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 . 109 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 594 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.7 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 18 0 0 6 0 6 12 6 0 0 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 RESIDUES PER ALPHA HELIX . 6 1 17 6 6 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 6 0 6 5 0 1 6 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 . 6 0 6 0 0 6 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 D > 0 0 171 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 104.2 -35.3 15.0 8.2 2 3 A A G > + 0 0 28 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.720 360.0 63.2 -62.6 -25.2 -36.6 11.5 7.1 3 4 A E G > S+ 0 0 55 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.846 102.6 49.9 -68.0 -34.5 -39.2 11.4 9.9 4 5 A G G X S+ 0 0 25 -3,-1.0 3,-1.0 1,-0.2 -1,-0.2 0.405 85.2 89.2 -85.2 1.6 -41.0 14.5 8.5 5 6 A L G X + 0 0 27 -3,-0.8 3,-1.7 -4,-0.3 4,-0.3 0.729 69.2 76.3 -70.9 -22.5 -41.1 13.0 5.0 6 7 A A G X S+ 0 0 41 -3,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.774 81.7 69.8 -58.2 -27.1 -44.5 11.4 5.7 7 8 A L G < S+ 0 0 37 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.737 84.6 70.4 -61.8 -25.1 -46.1 14.8 5.3 8 9 A L G < S+ 0 0 3 -3,-1.7 881,-2.9 -4,-0.2 -1,-0.3 0.744 80.2 87.9 -64.3 -25.3 -45.4 14.7 1.6 9 10 A L S < S- 0 0 11 -3,-1.3 879,-0.1 -4,-0.3 878,-0.1 -0.680 79.5-133.5 -85.5 117.1 -48.0 12.0 1.1 10 11 A P > - 0 0 5 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.561 15.8-140.9 -67.2 120.7 -51.5 13.3 0.4 11 12 A P H > S+ 0 0 44 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.712 96.2 56.1 -60.9 -21.9 -53.6 11.1 2.7 12 13 A V H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.916 109.0 42.8 -76.8 -46.1 -56.4 10.8 0.1 13 14 A T H > S+ 0 0 34 -3,-0.4 4,-2.3 872,-0.2 5,-0.2 0.853 112.7 57.6 -66.2 -33.9 -54.3 9.3 -2.7 14 15 A L H X S+ 0 0 21 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.928 106.9 45.6 -58.4 -50.4 -52.7 7.1 -0.1 15 16 A A H X S+ 0 0 38 -4,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.902 113.1 50.3 -64.1 -42.8 -55.9 5.5 1.0 16 17 A A H X S+ 0 0 58 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.899 112.3 47.7 -59.8 -44.5 -57.1 5.0 -2.6 17 18 A L H X S+ 0 0 31 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 113.1 46.7 -62.7 -50.6 -53.8 3.4 -3.4 18 19 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.904 109.7 56.0 -58.9 -45.1 -53.9 1.1 -0.4 19 20 A D H X S+ 0 0 34 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.927 106.4 49.1 -48.8 -53.2 -57.5 0.2 -1.2 20 21 A S H X S+ 0 0 50 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.880 108.5 53.2 -61.9 -39.1 -56.6 -1.0 -4.7 21 22 A W H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.891 110.3 48.6 -61.0 -38.5 -53.8 -3.1 -3.3 22 23 A L H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.885 112.1 46.5 -74.3 -38.3 -56.2 -4.8 -0.9 23 24 A R H < S+ 0 0 92 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.925 111.0 54.9 -62.3 -44.7 -58.9 -5.4 -3.6 24 25 A E H < S+ 0 0 49 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.910 112.6 42.0 -51.7 -45.0 -56.1 -6.8 -5.9 25 26 A D H < S+ 0 0 7 -4,-1.8 424,-1.7 1,-0.3 425,-0.3 0.840 129.4 22.0 -81.2 -36.4 -55.0 -9.3 -3.2 26 27 A C < + 0 0 5 -4,-2.0 -1,-0.3 422,-0.1 1421,-0.2 -0.732 63.7 157.7-132.7 88.2 -58.4 -10.5 -1.9 27 28 A P S S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.801 70.1 12.8 -77.6 -29.5 -61.2 -9.9 -4.5 28 29 A G S S- 0 0 19 1,-0.2 2,-0.2 -5,-0.0 1419,-0.1 -0.042 111.6 -12.8-122.3-142.5 -63.6 -12.6 -3.2 29 30 A L - 0 0 10 1414,-0.1 2,-1.1 1,-0.1 -1,-0.2 -0.487 51.3-143.8 -72.1 132.3 -64.1 -14.8 -0.1 30 31 A N > + 0 0 9 1412,-3.5 3,-1.4 -2,-0.2 4,-0.4 -0.725 23.7 173.4 -98.3 85.9 -61.2 -15.1 2.3 31 32 A Y T > S+ 0 0 16 -2,-1.1 3,-1.5 1,-0.3 4,-0.4 0.828 72.6 67.5 -65.4 -32.5 -61.4 -18.8 3.5 32 33 A A T >> S+ 0 0 9 1,-0.3 4,-1.1 417,-0.2 3,-0.8 0.684 83.8 75.1 -61.0 -19.4 -58.2 -18.5 5.5 33 34 A A H <> S+ 0 0 1 -3,-1.4 4,-2.7 1,-0.2 -1,-0.3 0.868 88.7 58.7 -60.5 -35.9 -60.0 -16.1 7.9 34 35 A L H <4 S+ 0 0 54 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.746 100.6 57.6 -65.2 -22.9 -61.8 -19.1 9.3 35 36 A V H <4 S+ 0 0 8 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.880 117.2 30.0 -74.3 -39.4 -58.4 -20.7 10.2 36 37 A S H < S- 0 0 15 -4,-1.1 3,-0.3 -3,-0.2 -2,-0.2 0.816 94.9-154.2 -89.6 -34.2 -57.3 -17.7 12.4 37 38 A G < - 0 0 22 -4,-2.7 57,-1.1 -5,-0.2 -1,-0.1 -0.231 34.6 -79.7 76.4-175.8 -60.6 -16.4 13.7 38 39 A A S S+ 0 0 47 55,-0.2 -1,-0.2 54,-0.1 3,-0.1 0.222 76.9 136.5-109.4 13.0 -61.1 -12.8 14.8 39 40 A G - 0 0 40 -3,-0.3 54,-2.1 53,-0.2 52,-0.1 -0.286 67.2 -91.8 -64.1 144.9 -59.5 -12.9 18.3 40 41 A P E +A 92 0A 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.292 57.2 175.4 -58.1 140.8 -57.3 -10.0 19.1 41 42 A S E -A 91 0A 20 50,-1.9 50,-2.1 -3,-0.1 2,-0.4 -0.898 25.8-142.7-143.5 172.3 -53.7 -10.6 18.2 42 43 A Q E -A 90 0A 87 -2,-0.3 243,-2.3 48,-0.2 2,-0.3 -0.998 13.7-170.2-138.9 135.8 -50.2 -9.1 18.1 43 44 A A E -AB 89 284A 1 46,-2.9 46,-2.7 -2,-0.4 2,-0.4 -0.960 16.0-135.9-127.8 149.7 -47.5 -9.5 15.6 44 45 A A E -AB 88 283A 1 239,-3.1 239,-2.2 -2,-0.3 2,-0.6 -0.876 13.6-139.5-104.1 133.1 -43.8 -8.5 15.6 45 46 A L E -AB 87 282A 0 42,-3.1 41,-2.7 -2,-0.4 42,-1.1 -0.839 22.4-161.8 -92.6 122.2 -42.3 -6.9 12.5 46 47 A W E -AB 85 281A 70 235,-3.0 235,-1.8 -2,-0.6 2,-0.7 -0.909 13.6-148.8-112.1 127.1 -38.7 -8.2 11.9 47 48 A A E +AB 84 280A 0 37,-3.0 37,-1.8 -2,-0.5 36,-0.6 -0.846 20.1 172.2 -89.7 116.8 -36.0 -6.7 9.8 48 49 A K + 0 0 97 231,-2.9 232,-0.2 -2,-0.7 -1,-0.1 0.284 58.6 60.1-107.2 7.3 -33.8 -9.5 8.4 49 50 A S S S- 0 0 24 230,-0.5 2,-0.1 35,-0.1 35,-0.1 -0.958 80.5-115.8-133.6 151.3 -31.7 -7.3 6.1 50 51 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 31,-0.2 -0.486 67.6 76.6 -79.5 160.1 -29.4 -4.4 6.5 51 52 A G E S-D 80 0B 22 29,-1.0 29,-3.2 -2,-0.1 2,-0.4 -0.975 82.4 -38.7 143.6-154.1 -30.3 -1.1 4.9 52 53 A V E -D 79 0B 20 59,-0.5 2,-0.5 -2,-0.3 63,-0.4 -0.909 48.9-124.5-113.1 139.6 -32.6 1.8 5.5 53 54 A L + 0 0 0 25,-2.2 24,-2.5 -2,-0.4 2,-0.3 -0.715 42.6 157.3 -83.3 123.9 -36.2 1.6 6.8 54 55 A A + 0 0 0 -2,-0.5 57,-0.5 53,-0.3 58,-0.1 -0.991 38.7 54.4-149.8 138.8 -38.7 3.2 4.5 55 56 A G >> + 0 0 0 -2,-0.3 4,-2.4 55,-0.2 3,-0.8 0.449 49.8 137.5 120.5 5.4 -42.5 2.9 4.0 56 57 A Q H 3> S+ 0 0 25 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.861 72.9 55.6 -49.5 -45.5 -44.1 3.3 7.4 57 58 A P H 3> S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.878 111.9 43.4 -59.1 -37.9 -46.9 5.5 6.1 58 59 A F H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.916 113.7 50.9 -70.7 -45.2 -47.9 2.8 3.6 59 60 A F H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.930 114.6 44.4 -56.5 -48.1 -47.6 0.1 6.1 60 61 A D H X S+ 0 0 51 -4,-3.4 4,-2.7 -5,-0.2 5,-0.2 0.933 110.5 53.5 -62.3 -49.1 -49.8 2.0 8.5 61 62 A A H X S+ 0 0 20 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.887 108.2 51.5 -57.0 -40.7 -52.3 2.9 5.9 62 63 A I H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.957 114.1 41.6 -59.2 -51.8 -52.7 -0.7 5.0 63 64 A F H <>S+ 0 0 0 -4,-1.9 5,-3.2 1,-0.2 -2,-0.2 0.778 109.1 59.4 -73.9 -25.1 -53.3 -1.9 8.6 64 65 A T H ><5S+ 0 0 94 -4,-2.7 3,-1.8 3,-0.2 -1,-0.2 0.907 102.8 52.5 -67.4 -38.9 -55.6 1.1 9.4 65 66 A Q H 3<5S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.816 110.4 49.6 -63.0 -30.5 -58.0 0.1 6.7 66 67 A L T 3<5S- 0 0 2 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.167 120.5-110.0 -96.5 19.4 -58.0 -3.3 8.3 67 68 A N T < 5S+ 0 0 109 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.839 77.0 126.3 57.8 37.7 -58.7 -1.9 11.8 68 69 A C < - 0 0 3 -5,-3.2 2,-0.3 -8,-0.2 23,-0.2 -0.866 49.6-139.5-117.6 155.3 -55.2 -2.8 13.1 69 70 A Q E -C 90 0A 109 21,-2.3 21,-2.8 -2,-0.3 2,-0.4 -0.835 9.4-151.0-111.6 157.5 -52.7 -0.4 14.8 70 71 A V E -C 89 0A 27 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.988 4.4-163.3-129.4 134.6 -49.0 -0.3 14.4 71 72 A S E -C 88 0A 43 17,-3.0 17,-2.3 -2,-0.4 2,-0.4 -0.985 15.4-148.4-117.8 123.1 -46.3 0.8 16.9 72 73 A W E -C 87 0A 51 -2,-0.5 15,-0.2 15,-0.2 14,-0.1 -0.767 17.4-173.6 -96.1 130.7 -42.9 1.6 15.5 73 74 A F S S+ 0 0 97 13,-2.9 14,-0.2 -2,-0.4 -1,-0.1 0.462 79.5 46.6 -96.0 -6.1 -39.7 1.0 17.5 74 75 A L S S- 0 0 50 12,-0.8 -1,-0.1 4,-0.0 3,-0.1 -0.998 87.1-120.2-133.9 137.9 -37.6 2.7 14.9 75 76 A P > - 0 0 81 0, 0.0 3,-1.9 0, 0.0 -22,-0.2 -0.350 45.8 -80.9 -72.3 158.5 -38.2 6.0 13.2 76 77 A E T 3 S+ 0 0 15 1,-0.2 -22,-0.2 -73,-0.1 -71,-0.1 -0.383 120.0 28.1 -55.9 128.8 -38.6 6.3 9.4 77 78 A G T 3 S+ 0 0 23 -24,-2.5 -1,-0.2 1,-0.3 -23,-0.1 0.330 84.5 149.1 99.4 -6.1 -35.1 6.3 7.9 78 79 A S < - 0 0 21 -3,-1.9 -25,-2.2 -26,-0.1 -1,-0.3 -0.232 54.4-108.7 -60.5 146.1 -33.3 4.3 10.6 79 80 A K E -D 52 0B 80 -27,-0.2 2,-0.6 -29,-0.0 -27,-0.2 -0.569 35.1-136.8 -70.0 138.4 -30.4 2.1 9.7 80 81 A L E -D 51 0B 5 -29,-3.2 -29,-1.0 -2,-0.2 -1,-0.0 -0.910 20.5-174.6-104.5 122.2 -31.4 -1.5 10.0 81 82 A V - 0 0 114 -2,-0.6 -34,-0.1 -31,-0.2 -32,-0.0 -0.937 40.8 -98.1-112.3 106.1 -29.1 -4.0 11.6 82 83 A P S S+ 0 0 53 0, 0.0 -34,-0.2 0, 0.0 3,-0.0 -0.335 101.8 36.4 -67.5 152.2 -30.6 -7.4 11.3 83 84 A V S S+ 0 0 99 -36,-0.6 2,-0.3 -34,-0.0 -35,-0.2 0.207 85.2 152.9 -97.4 112.7 -32.1 -9.2 13.0 84 85 A A E -A 47 0A 23 -37,-1.8 -37,-3.0 -35,-0.1 2,-0.8 -0.795 46.7-129.8-110.7 142.7 -34.0 -6.2 14.5 85 86 A R E +A 46 0A 110 -2,-0.3 -39,-0.2 -39,-0.2 3,-0.1 -0.790 34.9 171.4 -86.3 109.6 -37.5 -5.9 16.0 86 87 A V E - 0 0 0 -41,-2.7 -13,-2.9 -2,-0.8 -12,-0.8 0.786 50.3 -14.8 -97.8 -34.3 -38.9 -2.9 14.1 87 88 A A E -AC 45 72A 0 -42,-1.1 -42,-3.1 -15,-0.2 2,-0.4 -0.977 49.0-125.8-162.1 170.2 -42.6 -2.7 15.1 88 89 A E E -AC 44 71A 40 -17,-2.3 -17,-3.0 -2,-0.3 2,-0.4 -0.997 18.6-161.8-127.9 133.0 -45.6 -4.3 16.6 89 90 A V E -AC 43 70A 0 -46,-2.7 -46,-2.9 -2,-0.4 2,-0.4 -0.952 10.0-170.0-114.6 137.5 -49.0 -4.7 14.8 90 91 A R E +AC 42 69A 63 -21,-2.8 -21,-2.3 -2,-0.4 -48,-0.2 -0.973 28.5 87.0-129.1 141.4 -52.2 -5.3 16.8 91 92 A G E S-A 41 0A 12 -50,-2.1 -50,-1.9 -2,-0.4 -23,-0.2 -0.933 76.2 -23.1 161.3-177.3 -55.7 -6.3 15.7 92 93 A P E > -A 40 0A 39 0, 0.0 4,-2.7 0, 0.0 3,-0.5 -0.312 61.9-123.6 -54.8 133.8 -58.1 -9.1 14.9 93 94 A A H > S+ 0 0 3 -54,-2.1 4,-2.2 1,-0.3 -55,-0.2 0.860 109.2 47.9 -51.1 -46.5 -56.1 -12.1 13.8 94 95 A H H > S+ 0 0 24 -57,-1.1 4,-1.4 1,-0.2 -1,-0.3 0.869 112.2 49.4 -67.6 -35.5 -57.8 -12.4 10.4 95 96 A C H > S+ 0 0 5 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.904 109.7 52.1 -68.6 -42.3 -57.4 -8.7 9.6 96 97 A L H X S+ 0 0 1 -4,-2.7 4,-1.1 1,-0.2 3,-0.4 0.946 112.0 45.0 -53.4 -51.6 -53.7 -8.9 10.6 97 98 A L H X S+ 0 0 16 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.751 107.4 59.3 -72.0 -24.0 -53.0 -11.8 8.3 98 99 A L H < S+ 0 0 10 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.2 0.862 112.0 39.7 -67.9 -38.6 -55.0 -10.2 5.5 99 100 A G H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.4 5,-0.3 0.648 93.9 90.0 -84.4 -16.1 -52.7 -7.2 5.5 100 101 A E H X S+ 0 0 23 -4,-1.1 4,-2.7 1,-0.2 5,-0.3 0.899 87.5 41.8 -50.4 -58.6 -49.5 -9.1 6.0 101 102 A R H X S+ 0 0 61 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.920 117.9 43.4 -62.5 -50.5 -48.4 -9.8 2.4 102 103 A V H > S+ 0 0 5 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.913 115.5 50.4 -61.8 -42.8 -49.2 -6.4 0.9 103 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.930 114.3 42.7 -63.5 -47.7 -47.7 -4.6 3.9 104 105 A L H X S+ 0 0 4 -4,-2.7 4,-3.2 -5,-0.3 5,-0.2 0.932 113.5 51.5 -64.3 -48.3 -44.4 -6.6 3.8 105 106 A N H X S+ 0 0 3 -4,-2.8 4,-1.8 -5,-0.3 5,-0.2 0.914 114.0 44.9 -54.0 -44.6 -44.1 -6.4 -0.0 106 107 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.961 115.8 44.8 -66.3 -51.7 -44.6 -2.6 0.1 107 108 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -53,-0.3 0.878 111.5 55.1 -60.5 -38.6 -42.2 -2.1 3.0 108 109 A A H X S+ 0 0 3 -4,-3.2 4,-2.2 -5,-0.2 170,-1.8 0.914 113.8 38.8 -61.6 -45.4 -39.6 -4.4 1.4 109 110 A R H X S+ 0 0 21 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.902 115.9 50.0 -75.6 -42.8 -39.5 -2.5 -1.9 110 111 A C H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.941 116.8 42.7 -60.9 -45.2 -39.7 1.0 -0.4 111 112 A S H X 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