==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-FEB-09 2KFP . COMPND 2 MOLECULE: PSPTO_3016 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE; . AUTHOR E.A.FELDMANN,T.A.RAMELOT,L.ZHAO,K.HAMILTON,C.CICCOSANTI,R.XI . 125 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 16.8 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 . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.2 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 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 A M 0 0 35 0, 0.0 2,-0.2 0, 0.0 97,-0.1 0.000 360.0 360.0 360.0 135.9 -9.1 6.9 2.2 2 2 A N > - 0 0 102 1,-0.1 4,-1.5 95,-0.1 3,-0.3 -0.668 360.0-120.4-100.4 156.8 -11.1 3.7 3.0 3 3 A R H > S+ 0 0 107 -2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.943 110.9 62.7 -60.6 -46.6 -10.2 0.1 2.1 4 4 A Q H > S+ 0 0 115 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.899 104.6 49.3 -47.7 -40.5 -13.3 -0.4 -0.1 5 5 A Q H > S+ 0 0 89 -3,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.923 110.8 49.4 -66.8 -41.6 -11.9 2.4 -2.3 6 6 A F H X S+ 0 0 28 -4,-1.5 4,-2.6 -3,-0.3 5,-0.2 0.937 112.6 46.8 -63.7 -45.4 -8.5 0.7 -2.4 7 7 A I H X S+ 0 0 32 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.944 116.8 43.0 -63.8 -46.0 -9.9 -2.7 -3.3 8 8 A D H X S+ 0 0 85 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.910 113.4 53.3 -67.4 -39.0 -12.2 -1.2 -6.0 9 9 A Y H X>S+ 0 0 40 -4,-2.7 4,-3.3 -5,-0.3 5,-0.6 0.941 109.0 48.3 -61.8 -46.1 -9.4 1.0 -7.3 10 10 A A H X>S+ 0 0 4 -4,-2.6 4,-1.5 1,-0.2 5,-1.2 0.949 112.3 47.7 -61.3 -47.3 -7.0 -1.9 -7.7 11 11 A Q H <5S+ 0 0 88 -4,-2.0 -1,-0.2 4,-0.3 -2,-0.2 0.767 116.6 47.0 -66.0 -21.7 -9.6 -4.0 -9.6 12 12 A K H <5S+ 0 0 177 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.936 130.7 16.0 -84.4 -53.2 -10.3 -0.9 -11.7 13 13 A K H <5S+ 0 0 53 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.877 141.4 30.3 -88.9 -44.0 -6.7 0.1 -12.6 14 14 A Y T < - 0 0 156 3,-0.2 3,-1.2 1,-0.2 6,-0.2 -0.806 66.6-166.5 -94.7 116.4 -1.3 -17.6 4.6 23 23 A E T 3 S+ 0 0 168 -2,-0.7 -1,-0.2 1,-0.3 0, 0.0 0.845 87.0 69.6 -69.5 -31.3 -4.7 -19.0 5.6 24 24 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.541 101.9 51.2 -64.8 -0.7 -4.0 -18.0 9.3 25 25 A F X + 0 0 86 -3,-1.2 3,-1.2 -5,-0.1 -1,-0.3 -0.552 59.2 155.3-137.0 71.8 -4.5 -14.4 7.9 26 26 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.719 75.3 62.2 -70.7 -20.6 -7.7 -14.2 5.8 27 27 A D T 3 S+ 0 0 127 -3,-0.1 2,-0.3 2,-0.0 18,-0.1 0.559 87.3 93.9 -82.2 -6.0 -7.9 -10.5 6.4 28 28 A Y < - 0 0 53 -3,-1.2 2,-0.4 -6,-0.2 16,-0.2 -0.680 59.2-165.0 -88.8 140.2 -4.6 -10.1 4.6 29 29 A A E - B 0 43A 13 14,-1.6 14,-2.3 -2,-0.3 2,-0.4 -0.984 3.5-168.4-127.1 133.2 -4.8 -9.3 0.8 30 30 A V E -AB 19 42A 25 -11,-1.7 -11,-0.6 -2,-0.4 2,-0.4 -0.974 2.1-165.0-123.7 130.0 -1.8 -9.6 -1.6 31 31 A F + 0 0 14 10,-2.4 2,-0.3 -2,-0.4 10,-0.2 -0.927 20.5 152.2-113.6 134.2 -1.8 -8.2 -5.2 32 32 A R - 0 0 104 -2,-0.4 2,-0.6 -15,-0.3 -15,-0.2 -0.990 40.2-123.4-158.4 149.5 0.7 -9.3 -7.8 33 33 A H >> - 0 0 29 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.844 12.2-168.1 -99.6 118.0 1.0 -9.6 -11.6 34 34 A S T 34 S+ 0 0 102 -2,-0.6 -1,-0.1 1,-0.2 4,-0.0 0.681 91.6 56.3 -76.5 -15.1 2.0 -13.1 -12.8 35 35 A D T 34 S+ 0 0 136 1,-0.1 84,-0.6 -3,-0.1 -1,-0.2 0.518 115.3 36.2 -92.6 -5.3 2.6 -11.6 -16.3 36 36 A N T <4 S- 0 0 18 -3,-0.8 -2,-0.2 82,-0.2 84,-0.1 0.663 92.7-156.7-115.2 -30.9 5.1 -9.0 -14.9 37 37 A D < + 0 0 113 -4,-2.1 -3,-0.1 79,-0.1 -2,-0.0 0.629 58.2 59.5 57.7 134.9 6.9 -11.1 -12.2 38 38 A K + 0 0 110 1,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.807 66.9 124.2 82.4 102.2 8.6 -9.2 -9.3 39 39 A W - 0 0 53 -7,-0.1 2,-0.3 77,-0.0 -1,-0.1 -0.985 41.7-143.7-171.0 175.2 6.3 -7.0 -7.2 40 40 A Y + 0 0 106 -2,-0.3 2,-0.2 23,-0.1 25,-0.2 -0.850 29.5 144.8-158.4 119.1 5.1 -6.2 -3.7 41 41 A A + 0 0 28 -2,-0.3 -10,-2.4 -10,-0.2 2,-0.4 -0.763 13.0 158.6-157.4 105.4 1.6 -5.1 -2.6 42 42 A L E -B 30 0A 40 -2,-0.2 21,-1.4 -12,-0.2 2,-0.5 -0.993 21.8-157.6-133.9 138.6 -0.0 -6.2 0.7 43 43 A L E +BC 29 62A 3 -14,-2.3 -14,-1.6 -2,-0.4 2,-0.3 -0.954 28.2 148.2-116.4 124.8 -2.8 -4.7 2.7 44 44 A M E - C 0 61A 12 17,-1.6 17,-1.8 -2,-0.5 2,-0.7 -0.996 47.3-112.6-152.4 156.0 -3.1 -5.5 6.4 45 45 A D E + C 0 60A 82 -2,-0.3 15,-0.2 15,-0.2 13,-0.1 -0.811 39.9 178.2 -94.4 114.5 -4.3 -3.8 9.7 46 46 A I E - C 0 59A 10 13,-1.5 13,-1.6 -2,-0.7 5,-0.1 -0.913 37.9 -88.8-118.0 145.3 -1.3 -3.2 12.0 47 47 A P E > - C 0 58A 34 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.077 32.5-123.9 -46.8 143.3 -1.3 -1.5 15.5 48 48 A A G > >S+ 0 0 0 9,-1.2 5,-1.3 1,-0.3 3,-0.8 0.765 112.4 63.1 -64.1 -21.8 -0.8 2.3 15.4 49 49 A E G 3 5S+ 0 0 116 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.667 92.4 63.8 -77.4 -14.2 2.2 1.7 17.7 50 50 A K G < 5S+ 0 0 132 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.627 101.4 49.8 -84.6 -10.7 3.9 -0.3 14.9 51 51 A I T < 5S- 0 0 11 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.412 125.0 -99.7-105.1 1.4 4.1 2.7 12.7 52 52 A G T 5S+ 0 0 58 -3,-0.4 2,-0.3 1,-0.3 -3,-0.2 0.322 81.7 132.3 99.2 -8.4 5.6 4.9 15.4 53 53 A I < - 0 0 48 -5,-1.3 -1,-0.3 1,-0.1 -2,-0.2 -0.566 58.0-137.3 -79.7 139.2 2.3 6.7 16.3 54 54 A N S S+ 0 0 165 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.875 76.0 100.3 -62.4 -38.2 1.6 6.8 20.1 55 55 A G - 0 0 31 -7,-0.2 -3,-0.1 1,-0.1 -2,-0.1 -0.132 64.5-151.0 -49.7 145.4 -2.1 5.9 19.5 56 56 A D + 0 0 118 -8,-0.2 2,-0.2 -9,-0.1 -1,-0.1 0.279 58.4 119.1-101.8 9.2 -2.9 2.2 20.3 57 57 A K S S- 0 0 147 -10,-0.1 -9,-1.2 1,-0.1 2,-0.2 -0.482 70.2-112.1 -76.5 146.3 -5.7 2.1 17.7 58 58 A R E -C 47 0A 204 -11,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.517 38.0-172.0 -77.6 144.0 -5.4 -0.3 14.8 59 59 A V E -C 46 0A 6 -13,-1.6 -13,-1.5 -2,-0.2 2,-0.5 -0.917 23.8-115.2-134.9 161.9 -5.0 1.3 11.3 60 60 A D E +C 45 0A 2 -2,-0.3 36,-1.7 -15,-0.2 37,-0.9 -0.845 36.5 173.6-100.7 128.2 -5.0 0.1 7.7 61 61 A V E -CD 44 95A 4 -17,-1.8 -17,-1.6 -2,-0.5 2,-0.3 -0.922 14.7-155.4-131.1 157.7 -1.7 0.4 5.7 62 62 A I E -CD 43 94A 5 32,-1.3 32,-1.6 -2,-0.3 2,-0.3 -0.961 25.1-110.0-132.6 150.2 -0.5 -0.7 2.3 63 63 A D E - D 0 93A 24 -21,-1.4 2,-0.5 -2,-0.3 30,-0.2 -0.612 31.8-166.6 -80.1 134.6 2.9 -1.5 0.8 64 64 A L E - D 0 92A 12 28,-1.6 28,-1.9 -2,-0.3 2,-0.5 -0.974 10.3-146.1-125.8 124.0 4.1 1.1 -1.8 65 65 A K E + D 0 91A 25 -2,-0.5 2,-0.3 -25,-0.2 26,-0.2 -0.742 28.5 165.4 -89.9 129.5 7.1 0.4 -4.1 66 66 A V - 0 0 15 24,-1.5 5,-0.1 23,-0.5 46,-0.0 -0.921 39.7 -91.8-138.6 164.7 9.2 3.5 -5.0 67 67 A Q > - 0 0 71 -2,-0.3 4,-0.6 1,-0.1 3,-0.3 -0.380 37.9-114.7 -73.3 155.1 12.7 4.3 -6.5 68 68 A P T 4 S+ 0 0 74 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.753 117.4 46.6 -62.5 -24.6 15.6 4.7 -4.1 69 69 A E T 4 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.730 110.7 50.6 -91.2 -23.6 15.9 8.4 -5.1 70 70 A L T > S+ 0 0 68 -3,-0.3 4,-2.4 1,-0.2 5,-0.4 0.461 86.5 88.2 -92.7 1.2 12.2 9.2 -4.8 71 71 A V H X S+ 0 0 26 -4,-0.6 4,-3.2 1,-0.2 5,-0.3 0.926 86.2 52.3 -64.0 -41.6 12.1 7.7 -1.3 72 72 A G H > S+ 0 0 43 -4,-0.3 4,-1.2 -3,-0.3 -1,-0.2 0.912 110.8 48.0 -61.9 -40.5 13.0 11.0 0.2 73 73 A S H > S+ 0 0 73 -4,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.977 121.2 33.8 -65.3 -54.8 10.2 12.8 -1.7 74 74 A L H >< S+ 0 0 5 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.925 120.8 49.3 -68.3 -43.9 7.5 10.2 -0.7 75 75 A R H 3< S+ 0 0 109 -4,-3.2 -1,-0.2 -5,-0.4 -2,-0.2 0.730 101.9 65.7 -69.9 -18.3 8.9 9.5 2.7 76 76 A K H 3< S+ 0 0 155 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.858 83.5 88.6 -71.7 -32.9 9.1 13.3 3.4 77 77 A K S X< S- 0 0 54 -4,-0.9 3,-0.9 -3,-0.6 23,-0.0 -0.422 86.7-114.6 -66.6 140.0 5.3 13.6 3.2 78 78 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.293 95.4 41.3 -72.1 157.8 3.6 13.1 6.7 79 79 A G T 3 S+ 0 0 13 1,-0.2 16,-1.3 19,-0.1 2,-0.6 0.198 92.4 101.5 90.4 -18.5 1.3 10.1 7.4 80 80 A I E < -E 94 0A 10 -3,-0.9 14,-0.2 14,-0.2 -1,-0.2 -0.873 54.4-170.5-103.2 117.1 3.7 7.8 5.4 81 81 A Y E -E 93 0A 80 12,-1.1 12,-1.0 -2,-0.6 3,-0.1 -0.778 27.2-103.0-105.8 151.2 6.0 5.7 7.7 82 82 A P E -E 92 0A 35 0, 0.0 10,-0.2 0, 0.0 7,-0.1 -0.288 46.5 -89.2 -68.8 153.2 8.9 3.5 6.5 83 83 A A - 0 0 11 8,-0.9 8,-0.0 5,-0.4 7,-0.0 -0.358 25.5-149.4 -63.5 139.7 8.6 -0.3 6.2 84 84 A Y S S+ 0 0 125 -3,-0.1 -1,-0.1 4,-0.0 4,-0.1 0.414 70.7 94.8 -90.1 2.8 9.5 -2.1 9.4 85 85 A H S S- 0 0 84 6,-0.1 6,-0.0 1,-0.1 0, 0.0 -0.009 102.3 -80.4 -79.9-168.3 10.7 -5.1 7.3 86 86 A M S S+ 0 0 195 2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.909 116.5 55.5 -63.4 -40.4 14.3 -5.8 6.2 87 87 A N + 0 0 57 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 -0.096 54.1 166.4 -81.3-172.8 14.0 -3.3 3.3 88 88 A K S S+ 0 0 75 -4,-0.1 -5,-0.4 -6,-0.1 -1,-0.1 0.121 72.9 44.7-165.3 -61.1 13.0 0.3 3.6 89 89 A E S S+ 0 0 84 1,-0.2 -23,-0.5 -7,-0.1 3,-0.1 0.896 115.3 51.0 -67.9 -38.7 13.6 2.4 0.4 90 90 A H S S+ 0 0 80 1,-0.2 -24,-1.5 -25,-0.1 2,-0.4 0.962 121.7 28.2 -64.9 -50.1 12.2 -0.4 -1.8 91 91 A W E S-D 65 0A 42 -26,-0.2 -8,-0.9 -8,-0.0 2,-0.4 -0.927 70.2-171.6-116.0 137.0 9.0 -0.7 0.2 92 92 A I E -DE 64 82A 1 -28,-1.9 -28,-1.6 -2,-0.4 2,-0.4 -0.986 21.7-128.8-129.2 133.4 7.3 2.1 2.2 93 93 A T E -DE 63 81A 14 -12,-1.0 -12,-1.1 -2,-0.4 2,-0.4 -0.643 23.5-160.9 -81.6 130.8 4.3 1.8 4.5 94 94 A V E -DE 62 80A 5 -32,-1.6 -32,-1.3 -2,-0.4 2,-1.0 -0.932 15.1-133.8-115.2 133.0 1.5 4.2 3.8 95 95 A L E > > -D 61 0A 12 -16,-1.3 3,-1.3 -2,-0.4 5,-0.5 -0.711 19.8-177.4 -87.5 103.8 -1.2 5.1 6.4 96 96 A L T 3 5S+ 0 0 0 -36,-1.7 -1,-0.2 -2,-1.0 -35,-0.1 0.910 87.7 53.5 -65.7 -40.1 -4.5 5.0 4.6 97 97 A N T 3 5S+ 0 0 82 -37,-0.9 -1,-0.3 -3,-0.1 -36,-0.1 0.348 100.1 92.5 -76.8 11.1 -6.3 6.1 7.8 98 98 A G T < 5S- 0 0 21 -3,-1.3 -19,-0.1 -38,-0.2 -18,-0.0 -0.069 103.9 -80.2 -89.7-164.5 -3.8 9.0 7.8 99 99 A P T 5S+ 0 0 101 0, 0.0 -3,-0.1 0, 0.0 -20,-0.1 0.426 85.5 129.0 -78.9 0.4 -4.2 12.5 6.4 100 100 A L < - 0 0 10 -5,-0.5 2,-0.2 -21,-0.1 -21,-0.0 -0.334 55.6-132.8 -61.2 135.2 -3.3 11.2 2.9 101 101 A G > - 0 0 22 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.519 13.6-121.0 -87.7 157.4 -5.9 12.2 0.2 102 102 A A H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.923 116.7 45.1 -63.9 -42.1 -7.4 9.8 -2.3 103 103 A K H > S+ 0 0 162 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 110.8 54.6 -70.3 -34.9 -6.0 11.9 -5.2 104 104 A E H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.933 109.3 47.0 -65.1 -43.3 -2.6 12.2 -3.5 105 105 A I H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.923 107.9 56.4 -64.7 -42.9 -2.4 8.4 -3.1 106 106 A H H X S+ 0 0 66 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.926 106.6 50.2 -56.5 -43.8 -3.4 7.9 -6.8 107 107 A S H X S+ 0 0 71 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.937 111.0 48.3 -61.9 -44.8 -0.5 10.1 -7.9 108 108 A L H X S+ 0 0 23 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.919 111.0 50.9 -63.6 -41.0 2.0 8.1 -5.8 109 109 A I H X S+ 0 0 8 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.932 102.7 59.8 -63.6 -42.6 0.7 4.8 -7.1 110 110 A E H X S+ 0 0 91 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.930 105.4 49.7 -51.7 -43.9 1.0 6.0 -10.7 111 111 A D H X S+ 0 0 72 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.930 113.3 44.9 -62.7 -43.2 4.7 6.5 -10.1 112 112 A S H >X S+ 0 0 7 -4,-1.8 3,-1.1 1,-0.2 4,-0.8 0.849 104.6 64.5 -70.0 -30.9 5.0 2.9 -8.6 113 113 A F H >< S+ 0 0 37 -4,-3.3 3,-1.9 1,-0.3 4,-0.4 0.932 90.4 64.4 -58.2 -43.9 2.9 1.6 -11.5 114 114 A Q H >< S+ 0 0 120 -4,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.839 104.3 47.9 -49.8 -31.0 5.7 2.6 -14.0 115 115 A L H << S+ 0 0 67 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.683 111.0 50.6 -84.2 -17.4 7.8 -0.0 -12.1 116 116 A T T << S+ 0 0 16 -3,-1.9 -1,-0.2 -4,-0.8 -2,-0.2 0.197 80.2 136.8-102.9 15.2 5.0 -2.6 -12.3 117 117 A R < - 0 0 154 -3,-0.6 3,-0.1 -4,-0.4 2,-0.1 -0.347 57.7-114.6 -63.8 141.5 4.5 -2.1 -16.1 118 118 A L S S+ 0 0 70 1,-0.2 -82,-0.2 2,-0.1 -1,-0.1 -0.438 89.7 22.8 -77.3 152.1 4.1 -5.4 -18.0 119 119 A E - 0 0 154 -84,-0.6 -1,-0.2 -2,-0.1 3,-0.1 0.992 64.4-173.1 57.0 75.7 6.7 -6.6 -20.5 120 120 A H S S- 0 0 137 1,-0.3 2,-0.3 -84,-0.1 -1,-0.1 0.908 70.1 -3.9 -66.5 -39.7 9.8 -4.6 -19.3 121 121 A H + 0 0 118 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.993 60.4 153.0-154.5 146.4 11.8 -5.7 -22.4 122 122 A H + 0 0 147 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.0 -0.365 30.6 118.6-174.4 83.8 11.3 -8.0 -25.4 123 123 A H - 0 0 139 1,-0.1 -1,-0.0 -2,-0.0 0, 0.0 -0.896 43.7-155.4-157.5 123.8 13.3 -7.3 -28.6 124 124 A H 0 0 175 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.910 360.0 360.0 -66.8 -40.0 15.9 -9.5 -30.4 125 125 A H 0 0 223 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.804 360.0 360.0-171.4 360.0 17.5 -6.4 -32.0