==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-01 1INL . COMPND 2 MOLECULE: SPERMIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.KOROLEV,T.SKARINA,Y.IKEGUCHI,A.E.PEGG,A.JOACHIMIAK, . 1151 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 810 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 83 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 7 6 10 2 0 0 8 0 1 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 14 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 0 2 4 9 9 0 4 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 . 0 0 4 0 0 4 0 1 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 R 0 0 86 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 171.4 4.9 22.1 48.2 2 3 A T > - 0 0 83 1,-0.1 4,-1.1 5,-0.0 5,-0.1 -0.570 360.0-106.2-102.5 169.5 5.1 22.9 44.5 3 4 A L H >> S+ 0 0 32 1,-0.2 3,-1.3 2,-0.2 4,-1.1 0.973 118.1 46.7 -57.1 -60.5 8.2 23.4 42.2 4 5 A K H 34 S+ 0 0 168 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.826 107.7 58.4 -52.7 -37.8 7.9 27.2 41.9 5 6 A E H 34 S+ 0 0 119 1,-0.2 -1,-0.3 406,-0.0 -2,-0.2 0.805 111.0 41.3 -64.7 -30.3 7.4 27.5 45.7 6 7 A L H << S+ 0 0 40 -3,-1.3 -1,-0.2 -4,-1.1 324,-0.2 0.561 93.7 108.4 -94.4 -10.8 10.7 25.8 46.4 7 8 A E < - 0 0 70 -4,-1.1 2,-0.2 -3,-0.4 322,-0.2 -0.407 44.1-178.1 -73.8 142.8 12.7 27.6 43.6 8 9 A R - 0 0 95 320,-2.5 320,-0.5 -2,-0.1 2,-0.1 -0.738 46.3 -55.7-128.6 175.2 15.3 30.3 44.4 9 10 A E - 0 0 165 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.368 62.5-117.9 -58.2 124.4 17.5 32.5 42.2 10 11 A L - 0 0 18 -2,-0.1 -1,-0.1 316,-0.1 318,-0.0 -0.530 28.5-153.4 -70.1 123.1 19.5 30.3 39.9 11 12 A Q - 0 0 128 -2,-0.4 2,-0.1 316,-0.1 316,-0.0 -0.850 15.4-117.5-104.1 134.2 23.3 30.6 40.6 12 13 A P + 0 0 57 0, 0.0 2,-0.2 0, 0.0 22,-0.1 -0.325 33.5 177.3 -68.3 144.1 25.9 29.9 37.9 13 14 A R - 0 0 103 20,-0.3 3,-0.2 3,-0.1 20,-0.1 -0.519 42.9 -95.5-128.2-163.5 28.4 27.0 38.3 14 15 A Q S S+ 0 0 89 -2,-0.2 3,-0.0 1,-0.1 292,-0.0 0.128 99.6 80.9-109.0 23.3 31.2 25.6 36.1 15 16 A H S S+ 0 0 4 18,-0.1 291,-2.6 1,-0.1 2,-0.5 0.638 75.3 66.4-103.7 -18.6 29.3 22.8 34.5 16 17 A L E +A 305 0A 1 289,-0.2 17,-2.2 17,-0.2 2,-0.3 -0.940 61.8 172.2-112.2 126.3 27.3 24.3 31.6 17 18 A W E -AB 304 32A 6 287,-2.8 287,-2.8 -2,-0.5 2,-0.5 -0.957 28.6-151.9-138.2 149.8 29.0 25.7 28.6 18 19 A Y E -AB 303 31A 0 13,-2.5 13,-2.5 -2,-0.3 2,-0.5 -0.976 19.0-164.1-115.3 125.6 28.4 27.1 25.1 19 20 A F E - B 0 30A 11 283,-2.8 2,-0.5 -2,-0.5 11,-0.2 -0.970 3.0-168.9-116.7 123.4 31.3 26.7 22.6 20 21 A E E - B 0 29A 2 9,-3.3 9,-2.2 -2,-0.5 2,-0.3 -0.957 10.2-150.0-113.8 123.1 31.4 28.7 19.4 21 22 A Y E - B 0 28A 54 -2,-0.5 7,-0.2 42,-0.3 2,-0.2 -0.723 9.3-140.1 -93.3 138.6 33.9 27.8 16.7 22 23 A Y > - 0 0 12 5,-2.7 3,-2.7 -2,-0.3 5,-0.2 -0.490 46.9 -66.4 -88.5 165.3 35.3 30.4 14.4 23 24 A T T 3 S+ 0 0 80 1,-0.3 3,-0.3 -2,-0.2 -1,-0.2 -0.298 128.7 30.8 -54.0 126.3 35.9 29.8 10.7 24 25 A G T 3 S- 0 0 42 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.025 104.5-118.3 110.2 -25.4 38.6 27.2 10.4 25 26 A N S < S+ 0 0 91 -3,-2.7 -1,-0.2 2,-0.2 -2,-0.1 0.672 89.5 104.5 63.8 24.8 37.7 25.5 13.6 26 27 A N S S+ 0 0 21 -3,-0.3 878,-2.7 1,-0.2 2,-0.3 0.559 82.2 28.8-106.8 -15.2 41.1 26.2 15.3 27 28 A V E + C 0 903A 1 -5,-0.2 -5,-2.7 876,-0.2 2,-0.3 -0.962 69.3 150.0-141.7 155.1 40.0 29.0 17.5 28 29 A G E -BC 21 902A 0 874,-2.0 874,-2.5 -2,-0.3 2,-0.4 -0.978 37.4 -99.6-169.8-178.5 36.7 29.9 19.2 29 30 A L E -BC 20 901A 6 -9,-2.2 -9,-3.3 -2,-0.3 2,-0.4 -0.910 25.1-160.6-120.0 141.8 34.8 31.5 22.1 30 31 A F E -BC 19 900A 1 870,-2.5 870,-2.0 -2,-0.4 2,-0.4 -0.942 5.8-169.1-122.8 146.7 33.3 29.8 25.1 31 32 A M E -BC 18 899A 0 -13,-2.5 -13,-2.5 -2,-0.4 868,-0.2 -1.000 23.5-121.9-136.4 139.9 30.6 31.1 27.5 32 33 A K E -B 17 0A 27 866,-2.9 2,-0.6 -2,-0.4 -15,-0.2 -0.506 26.8-146.2 -75.3 140.4 29.2 29.9 30.8 33 34 A M - 0 0 2 -17,-2.2 -20,-0.3 -2,-0.2 19,-0.2 -0.959 20.1-177.3-113.9 117.6 25.5 29.2 30.7 34 35 A N S S- 0 0 5 17,-3.1 2,-0.3 -2,-0.6 -1,-0.2 0.859 78.0 -19.1 -75.9 -36.2 23.5 29.9 33.9 35 36 A R E -I 51 0B 99 16,-0.8 16,-2.8 -19,-0.0 2,-0.6 -0.976 61.1-118.4-163.7 158.2 20.4 28.6 32.1 36 37 A V E -I 50 0B 28 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.942 21.7-173.3-106.4 121.2 19.0 27.9 28.7 37 38 A I E - 0 0 55 12,-1.9 2,-0.3 -2,-0.6 13,-0.2 0.865 67.3 -1.9 -80.8 -40.7 15.9 30.0 27.9 38 39 A Y E -I 49 0B 17 11,-2.2 11,-2.7 2,-0.0 2,-0.4 -0.976 49.4-175.7-158.4 138.1 14.9 28.4 24.6 39 40 A S E +I 48 0B 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 24.8 160.8-134.3 120.0 16.2 25.7 22.1 40 41 A G E -I 47 0B 3 7,-2.5 7,-3.2 -2,-0.4 2,-0.4 -0.964 27.4-148.1-141.0 159.4 14.3 25.3 18.9 41 42 A Q E -I 46 0B 26 254,-0.4 254,-2.5 -2,-0.3 5,-0.2 -0.995 14.3-176.0-131.3 126.5 14.7 23.8 15.5 42 43 A S - 0 0 7 3,-2.8 252,-0.1 -2,-0.4 80,-0.0 -0.473 48.9 -92.6-105.7-175.3 13.1 25.1 12.3 43 44 A D S S+ 0 0 121 250,-0.2 3,-0.1 -2,-0.2 251,-0.1 0.627 126.6 38.5 -73.3 -10.4 13.3 23.7 8.8 44 45 A I S S- 0 0 90 1,-0.3 2,-0.3 77,-0.0 -1,-0.2 0.817 122.4 -21.1-107.1 -43.0 16.3 25.9 8.2 45 46 A Q - 0 0 29 2,-0.0 -3,-2.8 16,-0.0 2,-0.4 -0.955 60.4 -89.7-160.7 176.2 18.4 26.0 11.4 46 47 A R E -I 41 0B 0 -2,-0.3 16,-2.5 -5,-0.2 2,-0.4 -0.829 31.7-156.7-102.7 136.5 18.7 25.6 15.2 47 48 A I E -IJ 40 61B 0 -7,-3.2 -7,-2.5 -2,-0.4 2,-0.4 -0.930 11.2-179.9-113.4 131.5 18.0 28.4 17.6 48 49 A D E -IJ 39 60B 1 12,-2.4 12,-3.0 -2,-0.4 2,-0.4 -0.999 4.2-178.7-133.3 130.5 19.5 28.6 21.1 49 50 A I E +IJ 38 59B 0 -11,-2.7 -11,-2.2 -2,-0.4 -12,-1.9 -0.998 19.0 155.9-128.6 123.1 18.9 31.4 23.6 50 51 A F E -IJ 36 58B 1 8,-2.2 8,-3.2 -2,-0.4 2,-0.5 -0.862 38.9-105.6-141.4 175.2 20.6 31.3 27.0 51 52 A E E -IJ 35 57B 62 -16,-2.8 -17,-3.1 -2,-0.3 -16,-0.8 -0.925 24.1-170.6-113.4 127.2 21.8 33.4 29.9 52 53 A N E > - J 0 56B 2 4,-2.7 4,-2.3 -2,-0.5 -19,-0.1 -0.943 28.2-128.1-113.1 136.7 25.5 34.2 30.6 53 54 A P T 4 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.821 106.4 27.2 -52.2 -36.8 26.4 36.0 33.9 54 55 A D T 4 S+ 0 0 62 -22,-0.1 845,-0.0 2,-0.1 842,-0.0 0.849 128.0 38.7 -96.0 -39.7 28.4 38.7 32.1 55 56 A L T 4 S- 0 0 1 1,-0.3 15,-1.9 843,-0.1 14,-0.4 0.606 90.5-149.4 -89.7 -11.0 26.7 39.1 28.7 56 57 A G E < +J 52 0B 17 -4,-2.3 -4,-2.7 13,-0.2 2,-0.3 -0.576 64.4 13.0 78.0-142.6 23.1 38.6 29.7 57 58 A V E S-J 51 0B 34 -2,-0.2 12,-2.0 -6,-0.2 2,-0.4 -0.553 72.0-164.0 -73.8 127.7 20.8 36.9 27.2 58 59 A V E -JK 50 68B 0 -8,-3.2 -8,-2.2 -2,-0.3 2,-0.5 -0.952 5.4-160.2-117.1 133.3 22.7 35.4 24.2 59 60 A F E +JK 49 67B 3 8,-2.8 7,-3.2 -2,-0.4 8,-1.7 -0.952 14.7 178.5-115.9 124.0 21.1 34.4 20.9 60 61 A A E -JK 48 65B 0 -12,-3.0 -12,-2.4 -2,-0.5 2,-0.5 -0.963 19.0-155.5-129.4 144.9 22.8 31.8 18.7 61 62 A L E > S-JK 47 64B 22 3,-2.5 3,-1.3 -2,-0.3 -14,-0.2 -0.985 84.2 -17.4-120.1 120.7 22.0 30.2 15.3 62 63 A D T 3 S- 0 0 49 -16,-2.5 -1,-0.1 -2,-0.5 -15,-0.1 0.861 130.4 -51.1 51.8 40.1 23.6 26.9 14.6 63 64 A G T 3 S+ 0 0 8 1,-0.2 2,-0.5 -17,-0.2 -42,-0.3 0.688 113.0 120.0 74.8 16.5 26.2 27.5 17.3 64 65 A I E < -K 61 0B 93 -3,-1.3 -3,-2.5 -44,-0.1 2,-0.3 -0.976 68.0-119.1-116.3 125.5 27.1 31.0 16.0 65 66 A T E +K 60 0B 3 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.480 36.5 169.2 -66.6 122.6 26.6 34.0 18.3 66 67 A M E - 0 0 51 -7,-3.2 2,-0.3 1,-0.4 -6,-0.2 0.817 62.1 -3.5-100.5 -47.6 24.1 36.4 16.8 67 68 A T E -K 59 0B 9 -8,-1.7 -8,-2.8 8,-0.0 -1,-0.4 -0.995 49.8-165.3-148.3 151.2 23.4 38.8 19.6 68 69 A T E > -K 58 0B 0 -2,-0.3 4,-2.0 -10,-0.2 3,-0.4 -0.987 28.8-127.9-133.9 142.1 24.2 39.4 23.3 69 70 A E T 4 S+ 0 0 86 -12,-2.0 4,-0.3 -14,-0.4 -13,-0.2 0.854 104.7 56.0 -56.5 -38.0 22.3 41.7 25.5 70 71 A K T 4 S+ 0 0 95 -15,-1.9 -1,-0.2 1,-0.2 -14,-0.1 0.848 124.7 12.4 -68.6 -34.6 25.4 43.5 26.7 71 72 A D T >> S+ 0 0 0 -3,-0.4 3,-1.7 -16,-0.2 4,-0.6 0.399 83.5 108.6-130.2 7.5 26.9 44.5 23.4 72 73 A E H >X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.3 3,-0.6 0.802 74.3 71.0 -57.5 -26.1 24.4 44.2 20.5 73 74 A F H 3> S+ 0 0 11 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.815 89.1 61.7 -59.1 -32.3 24.1 48.0 20.3 74 75 A M H <> S+ 0 0 1 -3,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.896 112.1 35.6 -61.4 -43.8 27.7 48.2 18.9 75 76 A Y H S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -2,-0.2 0.904 118.2 55.8 -70.4 -35.3 23.6 54.8 6.0 84 85 A M H < S+ 0 0 1 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.917 110.9 42.6 -62.2 -44.8 20.5 56.3 7.7 85 86 A F H < S+ 0 0 8 -4,-2.5 165,-0.3 1,-0.2 -1,-0.2 0.758 111.2 57.2 -73.4 -24.5 22.2 59.6 8.6 86 87 A L H < S+ 0 0 5 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.724 88.2 88.5 -78.4 -22.8 23.9 59.8 5.2 87 88 A H S < S- 0 0 3 -4,-1.3 102,-0.1 -3,-0.4 78,-0.0 -0.602 78.7-134.5 -78.0 137.3 20.5 59.7 3.3 88 89 A P S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.834 91.7 -8.6 -57.4 -38.4 18.9 63.1 2.8 89 90 A N S S- 0 0 82 75,-0.0 2,-0.6 23,-0.0 -4,-0.1 -0.471 73.1-159.9-164.5 79.8 15.4 62.0 3.9 90 91 A P + 0 0 6 0, 0.0 3,-0.1 0, 0.0 73,-0.0 -0.558 28.6 150.4 -72.8 112.7 15.0 58.2 4.4 91 92 A K + 0 0 81 -2,-0.6 23,-2.8 1,-0.3 24,-2.2 0.754 62.7 42.0-109.6 -38.8 11.4 57.3 4.3 92 93 A K E +l 115 0C 64 22,-0.2 72,-2.7 21,-0.2 73,-1.6 -0.966 68.9 179.8-118.5 119.8 11.3 53.7 3.0 93 94 A V E -lm 116 165C 0 22,-2.5 24,-2.9 -2,-0.5 2,-0.5 -0.950 14.7-160.8-125.3 139.7 13.8 51.2 4.3 94 95 A L E -lm 117 166C 0 71,-2.5 73,-2.8 -2,-0.4 2,-0.5 -0.979 5.5-169.3-119.8 125.9 14.4 47.5 3.6 95 96 A I E -lm 118 167C 0 22,-3.0 24,-3.2 -2,-0.5 2,-0.6 -0.975 7.6-157.4-116.1 121.1 16.3 45.3 6.0 96 97 A I E -lm 119 168C 2 71,-2.8 73,-2.7 -2,-0.5 2,-0.3 -0.907 66.1 -10.1-102.3 119.8 17.3 41.8 4.8 97 98 A G E S+ m 0 169C 9 22,-3.1 73,-0.2 -2,-0.6 22,-0.1 -0.706 74.7 122.0 94.9-149.8 18.0 39.4 7.7 98 99 A G > + 0 0 5 71,-2.0 3,-1.9 -2,-0.3 6,-0.3 0.883 28.0 172.4 56.5 49.3 18.2 40.6 11.3 99 100 A G T 3 S+ 0 0 4 1,-0.3 30,-0.2 70,-0.2 -1,-0.1 0.656 71.3 68.8 -61.9 -18.5 15.5 38.4 12.7 100 101 A D T 3 S- 0 0 6 29,-0.1 -1,-0.3 1,-0.1 36,-0.1 0.736 104.1-130.4 -71.0 -25.3 16.4 39.5 16.2 101 102 A G <> + 0 0 0 -3,-1.9 4,-2.5 36,-0.1 38,-0.2 0.337 69.5 123.8 93.5 -4.6 15.1 43.0 15.3 102 103 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.875 76.3 46.0 -56.0 -45.7 18.1 45.1 16.5 103 104 A T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 111.9 52.6 -65.5 -40.2 18.7 46.8 13.1 104 105 A L H > S+ 0 0 1 -6,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.918 106.4 54.3 -60.2 -43.8 15.0 47.5 12.8 105 106 A R H < S+ 0 0 33 -4,-2.5 4,-0.4 31,-0.4 -1,-0.2 0.913 111.1 44.9 -57.2 -44.9 15.0 49.1 16.2 106 107 A E H >< S+ 0 0 2 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.899 111.4 52.2 -68.4 -40.3 17.8 51.5 15.2 107 108 A V H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 6,-0.2 0.921 104.0 58.2 -60.9 -42.7 16.2 52.3 11.9 108 109 A L T 3< S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.611 88.1 75.1 -65.2 -13.5 12.9 53.3 13.6 109 110 A K T < S+ 0 0 33 -3,-1.1 2,-0.7 -4,-0.4 -1,-0.3 0.733 77.7 88.5 -70.2 -21.6 14.7 55.9 15.7 110 111 A H S X S- 0 0 11 -3,-1.9 3,-1.7 -4,-0.3 -1,-0.0 -0.712 71.3-152.5 -82.8 113.3 14.8 58.1 12.6 111 112 A D T 3 S+ 0 0 104 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.696 89.1 67.5 -58.0 -25.0 11.6 60.1 12.5 112 113 A S T 3 S+ 0 0 35 2,-0.0 -1,-0.3 -20,-0.0 2,-0.2 0.726 75.7 108.1 -69.7 -22.2 11.7 60.4 8.7 113 114 A V < + 0 0 3 -3,-1.7 -22,-0.2 -6,-0.2 -21,-0.2 -0.386 35.8 168.4 -62.5 124.9 11.0 56.7 8.4 114 115 A E S S+ 0 0 122 -23,-2.8 2,-0.3 1,-0.4 -22,-0.2 0.685 71.0 15.3-105.9 -30.9 7.5 56.0 7.2 115 116 A K E -l 92 0C 68 -24,-2.2 -22,-2.5 2,-0.0 2,-0.5 -0.971 58.7-175.7-151.0 128.9 7.9 52.3 6.4 116 117 A A E -ln 93 145C 0 28,-2.5 30,-2.4 -2,-0.3 2,-0.5 -0.986 12.1-158.1-128.3 118.0 10.5 49.8 7.4 117 118 A I E -ln 94 146C 10 -24,-2.9 -22,-3.0 -2,-0.5 2,-0.7 -0.860 1.9-160.6-100.5 126.7 10.4 46.2 6.1 118 119 A L E -ln 95 147C 1 28,-2.8 30,-3.0 -2,-0.5 2,-0.8 -0.939 8.6-166.0-106.7 109.2 12.2 43.5 7.9 119 120 A C E +ln 96 148C 2 -24,-3.2 -22,-3.1 -2,-0.7 2,-0.4 -0.860 14.6 169.6-102.6 103.5 12.7 40.5 5.5 120 121 A E E - n 0 149C 16 28,-2.1 30,-1.0 -2,-0.8 31,-0.1 -0.950 28.7-152.3-117.0 132.8 13.6 37.4 7.5 121 122 A V S S+ 0 0 67 -2,-0.4 2,-0.7 28,-0.2 30,-0.1 0.795 81.7 64.0 -74.3 -27.9 13.8 33.9 5.9 122 123 A D >> - 0 0 7 1,-0.2 4,-1.3 28,-0.1 3,-0.9 -0.845 58.9-168.6-107.2 108.5 13.1 32.0 9.1 123 124 A G H 3> S+ 0 0 13 -2,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.789 88.6 60.9 -61.3 -30.1 9.7 32.6 10.7 124 125 A L H 3> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.827 99.6 55.8 -68.2 -30.6 10.8 30.7 13.9 125 126 A V H <> S+ 0 0 2 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.939 108.6 47.7 -65.5 -44.4 13.6 33.3 14.4 126 127 A I H X S+ 0 0 2 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.929 113.8 47.1 -61.3 -45.3 11.0 36.1 14.3 127 128 A E H X S+ 0 0 47 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.899 113.5 47.1 -65.4 -40.3 8.7 34.2 16.8 128 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 5,-0.5 0.895 113.2 49.5 -67.7 -39.6 11.6 33.4 19.1 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S+ 0 0 9 -3,-1.2 2,-0.7 -4,-0.4 -1,-0.3 0.528 78.7 100.9 -86.0 -5.6 41.1 58.9 19.3 1145 284 D A < - 0 0 18 -3,-1.9 -51,-0.1 -4,-0.2 -52,-0.0 -0.724 63.5-157.4 -82.2 113.8 37.4 58.9 18.4 1146 285 D L - 0 0 8 -2,-0.7 -878,-0.2 -53,-0.0 -879,-0.1 -0.777 14.1-120.4-100.7 134.8 35.6 57.2 21.3 1147 286 D P >> - 0 0 2 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.304 36.3-103.8 -64.0 157.1 32.2 55.5 21.1 1148 287 D N H 3> S+ 0 0 19 -885,-1.7 4,-2.5 1,-0.2 -885,-0.2 0.858 118.7 55.4 -52.4 -42.4 29.5 57.0 23.4 1149 288 D F H 3> S+ 0 0 30 -887,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.850 109.3 47.8 -63.5 -31.4 29.7 54.2 26.0 1150 289 D V H <> S+ 0 0 0 -3,-0.8 4,-1.4 2,-0.2 6,-0.2 0.916 110.8 50.5 -73.5 -42.9 33.5 54.7 26.4 1151 290 D K H <>S+ 0 0 32 -4,-2.0 5,-2.5 1,-0.2 6,-0.7 0.898 110.1 51.3 -61.1 -39.7 33.1 58.5 26.8 1152 291 D K H ><5S+ 0 0 150 -4,-2.5 3,-1.0 4,-0.2 -1,-0.2 0.891 107.5 51.9 -65.3 -40.1 30.4 57.9 29.4 1153 292 D E H 3<5S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.771 111.9 47.3 -67.5 -26.6 32.7 55.6 31.4 1154 293 D L T 3<5S- 0 0 4 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.394 115.2-114.5 -94.5 0.8 35.4 58.2 31.4 1155 294 D G T < 5S+ 0 0 55 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.628 85.5 120.5 75.6 12.4 33.1 61.0 32.5 1156 295 D L < 0 0 93 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.349 360.0 360.0 -87.4 5.6 33.6 62.7 29.1 1157 296 D M 0 0 126 -6,-0.7 -5,-0.2 -5,-0.2 -8,-0.1 0.217 360.0 360.0-162.2 360.0 29.8 62.4 28.6