==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-NOV-07 3BEX . COMPND 2 MOLECULE: TYPE III PANTOTHENATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.YANG,C.HUERTA,E.STRAUSS,H.ZHANG . 1488 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1061 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 13.3 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 . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 101 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 440 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 0 0 0 0 0 0 5 7 9 6 0 3 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 RESIDUES PER ALPHA HELIX . 1 18 0 6 0 1 5 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 . 6 0 0 0 0 18 0 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 . 0 0 0 6 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 M 0 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.1 -27.1 24.0 27.3 2 -1 A D - 0 0 105 2,-0.0 20,-0.1 20,-0.0 2,-0.0 -0.627 360.0-167.3-126.4 72.8 -23.3 24.3 27.8 3 0 A P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 54,-0.1 -0.309 21.1-118.1 -65.7 142.7 -22.2 20.7 28.4 4 1 A M E -a 57 0A 11 52,-0.7 54,-3.2 49,-0.1 55,-0.7 -0.683 28.4-164.5 -84.1 133.6 -18.7 20.1 29.7 5 2 A Y E -aB 59 20A 50 15,-2.8 15,-1.7 -2,-0.4 2,-0.5 -0.925 13.0-143.9-117.6 138.5 -16.3 18.1 27.5 6 3 A L E -aB 60 19A 0 53,-2.7 55,-2.6 -2,-0.4 2,-0.4 -0.904 18.7-164.5 -98.7 126.5 -13.0 16.6 28.6 7 4 A L E -aB 61 18A 0 11,-3.2 11,-2.6 -2,-0.5 2,-0.4 -0.941 3.1-165.2-114.3 134.7 -10.4 16.8 25.8 8 5 A V E -aB 62 17A 2 53,-2.5 55,-2.6 -2,-0.4 2,-0.5 -0.974 14.7-171.3-126.6 134.6 -7.3 14.6 25.9 9 6 A D E -aB 63 16A 24 7,-2.3 7,-2.3 -2,-0.4 2,-0.9 -0.923 14.3-162.1-121.2 98.8 -4.0 14.9 24.0 10 7 A V E +aB 64 15A 0 53,-2.8 55,-2.3 -2,-0.5 5,-0.2 -0.748 17.6 176.6 -86.6 104.1 -1.9 11.8 24.7 11 8 A G - 0 0 12 3,-2.0 55,-0.1 -2,-0.9 22,-0.0 -0.564 44.0-101.0 -99.7 171.9 1.7 12.5 23.7 12 9 A N S S+ 0 0 45 -2,-0.2 22,-0.2 1,-0.1 3,-0.1 0.819 118.6 15.9 -62.4 -32.6 4.8 10.5 24.0 13 10 A T S S+ 0 0 31 1,-0.3 20,-2.6 20,-0.1 21,-0.4 0.793 132.0 24.0-107.4 -45.6 6.0 12.3 27.1 14 11 A H E - C 0 32A 35 18,-0.3 -3,-2.0 19,-0.1 2,-0.5 -0.886 58.1-148.1-125.5 155.1 3.0 14.2 28.4 15 12 A S E -BC 10 31A 2 16,-3.2 16,-2.6 -2,-0.3 2,-0.4 -0.989 15.6-148.5-119.5 127.3 -0.7 14.0 28.2 16 13 A V E -BC 9 30A 7 -7,-2.3 -7,-2.3 -2,-0.5 2,-0.4 -0.813 9.7-167.7 -96.9 131.4 -2.8 17.2 28.3 17 14 A F E +BC 8 29A 4 12,-2.5 12,-2.5 -2,-0.4 2,-0.4 -0.988 14.0 174.7-118.5 129.1 -6.3 17.1 29.9 18 15 A S E -BC 7 28A 0 -11,-2.6 -11,-3.2 -2,-0.4 2,-0.4 -0.985 18.5-152.7-139.2 141.7 -8.6 20.0 29.2 19 16 A I E +BC 6 27A 13 8,-2.2 8,-2.4 -2,-0.4 2,-0.3 -0.916 18.5 167.7-113.9 144.3 -12.2 21.0 30.0 20 17 A T E -B 5 0A 5 -15,-1.7 -15,-2.8 -2,-0.4 6,-0.1 -0.992 26.8-169.5-147.9 151.6 -14.4 23.3 28.1 21 18 A E S S+ 0 0 80 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.285 95.8 24.9-118.1 4.4 -18.1 24.2 28.0 22 19 A D S S- 0 0 65 3,-0.4 4,-0.1 -17,-0.1 -18,-0.1 0.435 96.4-117.7-144.1 -7.4 -18.0 26.3 24.8 23 20 A G S S+ 0 0 3 2,-0.4 3,-0.1 -18,-0.1 221,-0.1 0.637 103.0 74.0 69.1 16.2 -15.1 25.1 22.7 24 21 A K S S+ 0 0 168 1,-0.4 2,-0.4 0, 0.0 -1,-0.1 0.626 90.8 45.1-126.5 -35.8 -13.5 28.6 23.0 25 22 A T S S- 0 0 95 2,-0.0 -4,-0.5 0, 0.0 -3,-0.4 -0.961 71.5-169.3-116.0 134.6 -12.2 28.8 26.6 26 23 A F - 0 0 37 -2,-0.4 2,-0.4 -6,-0.1 -6,-0.2 -0.944 20.7-151.5-128.2 138.6 -10.3 25.9 28.0 27 24 A R E -C 19 0A 137 -8,-2.4 -8,-2.2 -2,-0.4 2,-0.4 -0.932 32.6-160.8-104.1 139.9 -9.0 25.0 31.5 28 25 A R E +C 18 0A 75 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.953 22.7 172.9-135.7 136.1 -5.8 22.9 31.1 29 26 A W E -C 17 0A 8 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.4 -0.942 15.9-149.6-133.2 160.5 -3.7 20.4 33.0 30 27 A R E +C 16 0A 57 -2,-0.3 1256,-0.4 -14,-0.2 1255,-0.4 -0.995 13.5 178.6-132.2 139.5 -0.7 18.2 32.0 31 28 A L E -C 15 0A 2 -16,-2.6 -16,-3.2 -2,-0.4 2,-0.2 -0.912 38.7 -97.7-130.0 157.1 0.5 14.8 33.3 32 29 A S E -C 14 0A 16 -2,-0.3 -18,-0.3 -18,-0.2 -19,-0.1 -0.515 29.5-133.7 -67.3 143.9 3.3 12.5 32.4 33 30 A T - 0 0 6 -20,-2.6 4,-0.2 -2,-0.2 -1,-0.1 0.946 44.1-177.5 -68.0 -44.7 2.1 9.8 30.0 34 31 A G > - 0 0 39 -21,-0.4 3,-1.0 -22,-0.2 2,-0.1 0.769 28.0 -88.2 58.7 131.0 3.9 7.2 32.1 35 32 A V T 3 S+ 0 0 124 1,-0.2 746,-0.1 744,-0.0 744,-0.0 -0.382 101.6 5.9 -76.0 143.7 4.2 3.5 31.5 36 33 A F T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.626 81.1 166.0 62.4 20.8 1.6 1.0 32.8 37 34 A Q < - 0 0 15 -3,-1.0 2,-0.3 -4,-0.2 -1,-0.2 -0.246 22.1-148.5 -58.5 150.6 -0.8 3.6 34.1 38 35 A T > - 0 0 0 739,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.790 26.4-105.3-117.5 169.5 -4.2 2.3 35.0 39 36 A E H > S+ 0 0 23 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.830 121.8 51.2 -63.5 -33.1 -7.7 3.9 34.8 40 37 A D H > S+ 0 0 2 737,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.877 108.8 51.3 -72.4 -38.4 -7.7 4.2 38.7 41 38 A E H > S+ 0 0 17 736,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.901 110.2 49.6 -59.4 -44.6 -4.3 5.9 38.6 42 39 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.939 112.5 47.0 -61.1 -48.5 -5.6 8.4 36.0 43 40 A F H X S+ 0 0 27 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.933 110.7 52.5 -57.4 -46.6 -8.7 9.1 38.1 44 41 A S H < S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.893 111.8 46.1 -58.0 -41.7 -6.6 9.5 41.3 45 42 A H H < S+ 0 0 8 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.900 117.0 42.9 -68.4 -40.4 -4.3 12.0 39.5 46 43 A L H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.9 0.748 94.6 83.4 -78.4 -23.5 -7.1 14.0 38.0 47 44 A H H 3X S+ 0 0 80 -4,-2.4 4,-1.7 1,-0.3 7,-0.2 0.900 97.1 35.5 -51.6 -55.3 -9.3 14.0 41.1 48 45 A P H 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.615 118.8 54.4 -78.1 -8.0 -7.7 17.0 43.0 49 46 A L H <4 S+ 0 0 6 -3,-0.9 -2,-0.2 -4,-0.3 -3,-0.1 0.925 117.5 29.9 -85.0 -52.3 -7.1 18.8 39.7 50 47 A L H >< S+ 0 0 4 -4,-2.8 3,-1.8 1,-0.2 -3,-0.2 0.750 86.1 168.6 -77.7 -26.7 -10.6 18.9 38.2 51 48 A G G >< S+ 0 0 38 -4,-1.7 3,-1.7 -5,-0.5 4,-0.3 -0.197 70.3 1.5 48.9-130.4 -12.3 18.9 41.6 52 49 A D G > S+ 0 0 112 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.774 124.5 70.7 -54.9 -32.8 -16.0 19.6 41.3 53 50 A A G X S+ 0 0 12 -3,-1.8 3,-1.8 1,-0.2 4,-0.4 0.788 80.1 78.8 -58.6 -29.2 -15.8 19.8 37.5 54 51 A M G X S+ 0 0 18 -3,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.875 90.3 50.6 -45.9 -49.5 -15.2 16.0 37.3 55 52 A R G < S+ 0 0 182 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.602 102.8 62.2 -72.5 -9.4 -18.9 15.2 37.8 56 53 A E G < S+ 0 0 88 -3,-1.8 -52,-0.7 -4,-0.3 -1,-0.2 0.503 70.3 121.6 -93.1 -7.9 -20.0 17.5 35.0 57 54 A I E < +a 4 0A 9 -3,-1.3 -52,-0.2 -4,-0.4 3,-0.1 -0.439 29.6 172.1 -66.4 127.9 -18.2 15.8 32.1 58 55 A K E + 0 0 138 -54,-3.2 2,-0.3 1,-0.3 -53,-0.2 0.490 64.1 16.2-111.5 -14.3 -20.6 14.7 29.4 59 56 A G E -a 5 0A 8 -55,-0.7 -53,-2.7 24,-0.1 2,-0.4 -0.975 59.8-148.3-160.0 151.6 -18.2 13.6 26.6 60 57 A I E -a 6 0A 2 24,-0.3 26,-2.4 -2,-0.3 2,-0.4 -0.995 13.1-172.7-128.9 124.3 -14.6 12.7 26.3 61 58 A G E -ad 7 86A 0 -55,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.955 8.7-168.7-119.2 141.1 -12.6 13.3 23.1 62 59 A V E -ad 8 87A 0 24,-3.0 26,-2.9 -2,-0.4 2,-0.5 -0.988 23.0-171.0-139.8 129.8 -9.0 12.0 22.6 63 60 A A E +a 9 0A 0 -55,-2.6 -53,-2.8 -2,-0.4 2,-0.4 -0.983 28.5 179.0-103.5 127.3 -6.1 12.4 20.2 64 61 A S E +a 10 0A 13 -2,-0.5 43,-0.5 24,-0.4 -53,-0.2 -0.996 32.6 176.1-134.4 135.9 -3.4 9.8 21.0 65 62 A V S S+ 0 0 10 -55,-2.3 349,-0.5 -2,-0.4 348,-0.4 0.067 76.2 75.0-114.3 18.5 -0.1 9.0 19.5 66 63 A V >> - 0 0 14 -56,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.782 61.6-172.0-128.8 86.1 0.7 6.3 22.1 67 64 A P H >> S+ 0 0 55 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.809 81.4 61.3 -52.2 -36.6 -1.5 3.2 21.3 68 65 A T H 34 S+ 0 0 55 1,-0.3 3,-0.4 2,-0.2 4,-0.4 0.811 102.1 54.6 -62.4 -26.3 -0.6 1.3 24.5 69 66 A Q H <> S+ 0 0 9 -3,-1.7 4,-1.9 1,-0.2 3,-0.3 0.640 87.5 81.9 -77.6 -16.6 -2.2 4.1 26.5 70 67 A N H S+ 0 0 6 -4,-0.4 4,-2.4 -3,-0.3 -2,-0.2 0.938 110.6 45.9 -66.0 -47.2 -6.3 3.0 29.8 73 70 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 113.7 49.8 -60.7 -41.5 -8.2 6.1 28.5 74 71 A E H X S+ 0 0 61 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.928 112.9 46.2 -64.7 -45.6 -11.0 3.8 27.2 75 72 A R H X S+ 0 0 86 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.848 111.9 51.2 -65.9 -36.7 -11.3 2.1 30.6 76 73 A F H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.5 0.935 111.6 47.9 -63.3 -47.5 -11.2 5.4 32.5 77 74 A S H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 6,-1.4 0.928 117.3 41.3 -59.3 -47.9 -14.0 6.8 30.4 78 75 A Q H X S+ 0 0 89 -4,-2.5 4,-1.0 4,-0.3 -2,-0.2 0.908 117.9 45.1 -69.6 -43.4 -16.2 3.7 30.7 79 76 A K H < S+ 0 0 81 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.924 125.4 28.3 -68.7 -45.7 -15.6 3.1 34.4 80 77 A Y H < S+ 0 0 56 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.721 138.5 19.6 -92.7 -23.2 -15.9 6.7 35.7 81 78 A F H < S- 0 0 33 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.2 0.463 89.9-128.0-126.5 -5.4 -18.3 8.2 33.1 82 79 A H S < S+ 0 0 154 -4,-1.0 2,-0.3 -5,-0.5 -4,-0.3 0.792 74.4 106.9 59.0 32.0 -20.0 5.2 31.5 83 80 A I - 0 0 49 -6,-1.4 -1,-0.2 -9,-0.1 -2,-0.2 -0.938 68.9-123.0-133.4 158.2 -19.1 6.5 28.1 84 81 A S - 0 0 66 -2,-0.3 -24,-0.3 -3,-0.1 -10,-0.1 -0.800 34.8-114.1 -96.0 142.6 -16.7 5.6 25.4 85 82 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 -24,-0.2 -0.345 20.8-122.3 -69.3 159.1 -14.2 8.2 24.2 86 83 A I E -d 61 0A 69 -26,-2.4 -24,-3.0 -2,-0.0 2,-0.5 -0.916 28.9-143.4-100.5 127.7 -14.3 9.6 20.7 87 84 A W E -d 62 0A 76 -2,-0.5 2,-0.2 -26,-0.2 -24,-0.2 -0.808 8.3-128.0-103.1 124.3 -11.0 9.1 19.0 88 85 A V + 0 0 10 -26,-2.9 -24,-0.4 -2,-0.5 2,-0.3 -0.511 43.1 154.7 -70.3 133.2 -9.5 11.6 16.6 89 86 A K - 0 0 125 -2,-0.2 2,-0.4 -26,-0.1 14,-0.1 -0.960 50.6 -91.2-154.6 151.9 -8.5 10.0 13.3 90 87 A A + 0 0 15 -2,-0.3 2,-0.3 12,-0.3 17,-0.0 -0.610 56.4 160.9 -69.8 129.5 -8.1 11.3 9.7 91 88 A K - 0 0 141 -2,-0.4 4,-0.4 4,-0.1 3,-0.0 -0.974 41.2 -92.2-144.8 159.8 -11.4 10.9 7.9 92 89 A N S S+ 0 0 137 -2,-0.3 2,-0.4 1,-0.1 4,-0.1 -0.282 84.1 60.4 -68.7 156.7 -12.9 12.4 4.7 93 90 A G S S+ 0 0 56 2,-0.4 -1,-0.1 1,-0.1 0, 0.0 -0.934 100.6 26.4 137.9-107.9 -15.0 15.5 4.9 94 91 A C S S+ 0 0 65 -2,-0.4 2,-0.4 -3,-0.0 -2,-0.1 0.766 125.4 39.1 -64.1 -33.7 -13.8 18.9 6.1 95 92 A V S S- 0 0 4 -4,-0.4 2,-0.5 47,-0.0 -2,-0.4 -0.950 76.2-140.3-115.9 139.8 -10.2 18.2 5.3 96 93 A K E -e 142 0B 134 45,-2.1 47,-3.4 -2,-0.4 2,-1.1 -0.902 16.4-144.7 -94.8 128.8 -8.9 16.4 2.2 97 94 A W E -e 143 0B 23 -2,-0.5 2,-1.7 45,-0.2 47,-0.1 -0.697 19.7-178.6-101.5 84.8 -6.1 14.1 3.2 98 95 A N + 0 0 85 45,-1.6 2,-0.3 -2,-1.1 -1,-0.1 -0.352 44.9 99.7 -86.2 55.9 -3.7 14.3 0.1 99 96 A V S S- 0 0 22 -2,-1.7 331,-0.1 1,-0.1 330,-0.1 -0.815 84.7 -98.2-132.2 173.4 -1.0 11.9 1.4 100 97 A K S S+ 0 0 133 329,-2.4 330,-0.1 -2,-0.3 -1,-0.1 0.902 110.1 7.7 -65.4 -45.5 -0.2 8.3 0.8 101 98 A N > - 0 0 69 328,-0.5 3,-2.3 1,-0.1 4,-0.4 -0.710 61.5-175.9-140.4 87.8 -1.8 6.7 3.9 102 99 A P G > S+ 0 0 38 0, 0.0 3,-1.5 0, 0.0 -12,-0.3 0.776 81.0 69.9 -51.4 -31.1 -3.9 9.2 5.9 103 100 A S G 3 S+ 0 0 64 1,-0.3 -13,-0.1 -14,-0.1 -2,-0.0 0.698 95.8 55.2 -62.0 -18.3 -4.5 6.5 8.6 104 101 A E G < S+ 0 0 102 -3,-2.3 -1,-0.3 2,-0.1 2,-0.2 0.551 78.7 110.8 -94.4 -10.2 -0.9 6.8 9.6 105 102 A V S < S- 0 0 21 -3,-1.5 -15,-0.2 -4,-0.4 5,-0.1 -0.457 82.9-102.1 -65.6 132.0 -0.9 10.5 10.2 106 103 A G > - 0 0 11 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.285 22.5-126.9 -59.0 139.5 -0.5 11.2 14.0 107 104 A A H > S+ 0 0 11 -43,-0.5 4,-2.7 1,-0.2 -1,-0.1 0.795 110.2 57.5 -59.1 -30.0 -3.8 12.0 15.7 108 105 A D H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 107.1 48.1 -67.9 -39.0 -2.2 15.2 17.2 109 106 A R H > S+ 0 0 14 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.917 110.9 51.1 -64.9 -42.7 -1.4 16.4 13.6 110 107 A V H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.949 110.6 49.1 -57.2 -48.9 -4.9 15.6 12.5 111 108 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.930 110.5 51.0 -58.7 -43.4 -6.3 17.6 15.4 112 109 A N H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.920 112.5 45.7 -59.2 -43.6 -3.9 20.5 14.6 113 110 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.922 112.9 49.9 -69.1 -43.6 -5.1 20.5 10.9 114 111 A V H X S+ 0 0 12 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.928 112.3 47.4 -59.2 -44.9 -8.8 20.3 11.9 115 112 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.4 0.912 111.8 51.5 -65.0 -39.5 -8.4 23.2 14.4 116 113 A F H X>S+ 0 0 2 -4,-2.3 4,-3.0 -5,-0.2 5,-1.9 0.949 111.3 45.3 -63.3 -49.3 -6.6 25.2 11.8 117 114 A V H <5S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.856 117.2 46.0 -62.9 -35.2 -9.2 24.8 9.0 118 115 A K H <5S+ 0 0 116 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.893 128.9 20.6 -73.4 -39.4 -12.1 25.5 11.5 119 116 A E H <5S+ 0 0 66 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.762 132.4 24.7-105.5 -29.2 -10.5 28.6 13.2 120 117 A Y T <5S- 0 0 85 -4,-3.0 2,-0.3 -5,-0.4 -3,-0.2 0.707 103.4 -89.6-119.1 -29.4 -7.9 30.1 10.9 121 118 A G < - 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