==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAR-10 3MES . COMPND 2 MOLECULE: CHOLINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR W.QIU,A.WERNIMONT,T.HILLS,J.LEW,J.D.ARTZ,T.XIAO,A.ALLALI- . 715 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 71.5 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 . 82 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 4 0.6 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 . 57 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 1 1 0 0 2 0 3 2 2 4 0 2 2 2 0 1 0 1 1 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 . 0 4 2 4 2 4 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 . 4 2 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 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 50 A D > 0 0 112 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 115.1 35.0 6.7 51.2 2 51 A T H > + 0 0 69 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.923 360.0 55.0 -52.1 -55.1 36.6 8.6 48.3 3 52 A E H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.851 106.9 51.4 -49.8 -41.0 40.1 7.3 48.8 4 53 A I H > S+ 0 0 108 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.892 109.7 49.0 -67.4 -39.6 39.0 3.6 48.7 5 54 A I H X S+ 0 0 9 -4,-1.6 4,-1.6 -3,-0.5 -1,-0.2 0.882 111.8 49.4 -65.2 -39.5 37.1 4.1 45.4 6 55 A I H X S+ 0 0 13 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.833 108.1 53.6 -71.1 -33.8 40.1 5.8 43.8 7 56 A G H X S+ 0 0 35 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.940 110.8 45.7 -64.4 -47.9 42.4 3.0 44.9 8 57 A I H X S+ 0 0 50 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.840 115.8 48.6 -62.0 -34.8 40.2 0.4 43.3 9 58 A C H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 7,-0.2 0.930 111.9 45.1 -73.4 -49.0 39.9 2.6 40.2 10 59 A R H < S+ 0 0 57 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.867 116.4 48.3 -62.1 -36.3 43.6 3.4 39.7 11 60 A K H < S+ 0 0 152 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.754 123.9 27.1 -78.1 -26.2 44.5 -0.3 40.3 12 61 A N H < S+ 0 0 79 -4,-1.1 -2,-0.2 -3,-0.2 -3,-0.2 0.661 97.7 86.7-115.1 -22.2 42.0 -1.9 38.0 13 62 A I S >< S- 0 0 4 -4,-2.6 3,-2.5 -5,-0.2 4,-0.4 -0.753 85.4-113.0 -87.7 116.5 41.2 0.7 35.2 14 63 A P T 3 S+ 0 0 76 0, 0.0 35,-0.3 0, 0.0 34,-0.2 -0.174 99.9 12.1 -46.2 127.9 43.7 0.4 32.3 15 64 A G T 3 S+ 0 0 56 -5,-0.1 3,-0.3 32,-0.1 4,-0.1 0.223 104.0 93.1 89.5 -14.1 45.8 3.5 32.1 16 65 A W X + 0 0 0 -3,-2.5 3,-1.1 -7,-0.2 -5,-0.1 0.594 56.1 95.3 -87.4 -11.7 44.8 4.9 35.5 17 66 A K T 3 S+ 0 0 126 -4,-0.4 -1,-0.2 1,-0.3 -7,-0.1 0.857 94.0 29.9 -47.0 -49.2 47.7 3.3 37.4 18 67 A E T 3 S+ 0 0 169 -3,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.389 88.8 119.6 -99.9 3.3 50.0 6.3 37.4 19 68 A I < - 0 0 28 -3,-1.1 5,-0.1 -4,-0.1 -9,-0.0 -0.548 69.8-114.6 -71.4 126.6 47.3 9.1 37.4 20 69 A N > - 0 0 79 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.308 17.8-123.3 -61.8 142.6 47.7 11.3 40.4 21 70 A E G > S+ 0 0 98 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.783 106.9 68.4 -57.7 -29.2 44.8 11.2 42.9 22 71 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 20,-0.0 -2,-0.1 0.568 94.3 57.7 -71.1 -7.4 44.2 15.0 42.5 23 72 A Y G < S+ 0 0 103 -3,-2.0 20,-2.5 19,-0.1 21,-0.6 0.408 93.3 82.6-101.0 0.1 43.1 14.5 39.0 24 73 A I E < -A 42 0A 15 -3,-1.7 2,-0.5 18,-0.2 18,-0.2 -0.899 58.1-167.6-109.3 131.0 40.3 12.1 39.9 25 74 A E E -A 41 0A 78 16,-2.7 16,-2.3 -2,-0.5 2,-0.6 -0.975 4.7-161.2-118.7 129.4 36.9 13.3 41.1 26 75 A V E +A 40 0A 28 -2,-0.5 2,-0.5 14,-0.2 14,-0.2 -0.933 14.4 174.6-106.7 115.6 34.3 10.9 42.7 27 76 A K E -A 39 0A 76 12,-1.3 12,-2.6 -2,-0.6 2,-0.2 -0.963 22.3-139.8-126.2 118.1 30.7 12.2 42.8 28 77 A Q E -A 38 0A 74 -2,-0.5 2,-0.3 10,-0.2 10,-0.3 -0.471 12.9-150.8 -73.9 138.5 27.9 10.1 44.0 29 78 A I E -A 37 0A 58 8,-2.1 8,-0.7 -2,-0.2 3,-0.1 -0.860 9.6-166.1-109.5 149.2 24.6 10.2 42.1 30 79 A F + 0 0 149 -2,-0.3 -1,-0.1 1,-0.1 8,-0.0 0.242 61.3 102.7-121.2 11.3 21.3 9.5 43.8 31 80 A S + 0 0 120 6,-0.1 -1,-0.1 294,-0.0 -2,-0.0 0.740 68.6 91.1 -63.7 -22.8 18.9 9.1 40.8 32 81 A G - 0 0 35 -3,-0.1 4,-0.0 3,-0.1 -2,-0.0 0.098 67.1-147.3 -69.6-175.7 19.1 5.3 41.5 33 82 A L S S+ 0 0 121 292,-0.0 -1,-0.1 3,-0.0 3,-0.1 0.550 82.4 10.0-131.3 -18.5 16.9 3.2 43.7 34 83 A T S S+ 0 0 39 1,-0.2 25,-0.2 26,-0.1 2,-0.1 0.643 109.1 54.4-132.9 -48.7 18.9 0.4 45.2 35 84 A N S S- 0 0 35 23,-0.1 2,-0.7 22,-0.1 22,-0.2 -0.429 77.5-106.2 -99.7 168.8 22.7 0.7 44.8 36 85 A Q E - B 0 56A 96 20,-2.3 20,-2.4 -2,-0.1 2,-0.4 -0.853 41.2-169.0 -95.5 111.4 25.4 3.2 45.5 37 86 A L E -AB 29 55A 22 -2,-0.7 -8,-2.1 -8,-0.7 2,-0.4 -0.828 7.6-176.3-108.1 139.2 26.5 4.8 42.2 38 87 A F E -AB 28 54A 19 16,-2.0 16,-3.0 -2,-0.4 2,-0.8 -0.993 21.0-144.6-133.6 139.9 29.5 7.1 41.6 39 88 A V E -AB 27 53A 3 -12,-2.6 -12,-1.3 -2,-0.4 2,-0.6 -0.881 21.4-166.4-102.9 103.7 30.7 8.9 38.5 40 89 A V E +AB 26 52A 0 12,-1.5 12,-2.1 -2,-0.8 2,-0.3 -0.816 13.2 177.3 -96.1 119.1 34.5 8.9 38.7 41 90 A S E -AB 25 51A 5 -16,-2.3 -16,-2.7 -2,-0.6 2,-0.9 -0.891 36.3-128.5-125.2 149.0 36.2 11.3 36.3 42 91 A I E -A 24 0A 22 8,-2.1 -18,-0.2 -2,-0.3 -19,-0.1 -0.854 23.3-163.0 -91.4 104.3 39.7 12.4 35.3 43 92 A V + 0 0 86 -20,-2.5 2,-0.5 -2,-0.9 -19,-0.1 0.510 64.8 87.9 -73.7 -4.1 39.3 16.2 35.6 44 93 A N 0 0 92 -21,-0.6 -2,-0.1 1,-0.2 -21,-0.0 -0.854 360.0 360.0 -96.2 126.3 42.5 16.8 33.6 45 94 A E 0 0 231 -2,-0.5 -1,-0.2 0, 0.0 -3,-0.0 0.917 360.0 360.0 -69.2 360.0 42.0 16.9 29.8 46 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 47 100 A L 0 0 80 0, 0.0 -32,-0.1 0, 0.0 330,-0.0 0.000 360.0 360.0 360.0 130.5 42.4 7.6 27.9 48 101 A K + 0 0 116 1,-0.3 3,-0.1 -34,-0.2 -33,-0.1 0.867 360.0 34.7 -69.5 -36.0 39.9 5.0 26.8 49 102 A H + 0 0 20 -35,-0.3 -1,-0.3 1,-0.1 3,-0.1 -0.651 62.4 155.4-123.2 74.5 38.0 5.4 30.0 50 103 A P S S+ 0 0 63 0, 0.0 -8,-2.1 0, 0.0 2,-0.3 0.678 78.8 30.6 -70.6 -18.8 38.1 9.1 31.1 51 104 A R E S+B 41 0A 85 -10,-0.2 47,-1.3 -3,-0.1 2,-0.3 -0.995 72.3 177.4-142.1 134.8 34.9 8.5 33.0 52 105 A I E -BC 40 97A 0 -12,-2.1 -12,-1.5 -2,-0.3 2,-0.6 -0.857 28.7-120.5-130.6 167.2 33.6 5.3 34.6 53 106 A L E -BC 39 96A 20 43,-3.5 43,-3.5 -2,-0.3 2,-0.7 -0.948 20.8-156.1-111.7 115.4 30.6 4.3 36.7 54 107 A F E -BC 38 95A 5 -16,-3.0 -16,-2.0 -2,-0.6 2,-0.5 -0.813 14.2-169.8 -92.8 113.7 31.4 2.9 40.1 55 108 A R E -BC 37 94A 41 39,-2.3 39,-1.8 -2,-0.7 2,-0.6 -0.915 10.3-169.8-112.3 120.8 28.6 0.6 41.3 56 109 A I E -BC 36 93A 47 -20,-2.4 -20,-2.3 -2,-0.5 37,-0.2 -0.940 28.9-122.0-108.1 119.5 28.3 -0.8 44.8 57 110 A Y - 0 0 67 35,-1.6 2,-0.1 -2,-0.6 -22,-0.1 -0.380 32.0-169.3 -65.1 125.2 25.7 -3.4 45.3 58 111 A G - 0 0 34 -2,-0.2 2,-0.6 1,-0.0 -23,-0.1 -0.413 35.2 -81.2-100.5-178.3 23.0 -2.6 47.9 59 112 A K - 0 0 193 -25,-0.2 2,-0.2 -2,-0.1 -1,-0.0 -0.789 48.2-136.3 -88.5 122.5 20.3 -4.7 49.5 60 113 A H 0 0 51 -2,-0.6 5,-0.1 1,-0.1 -26,-0.1 -0.502 360.0 360.0 -83.0 147.2 17.3 -4.9 47.2 61 114 A V 0 0 115 -2,-0.2 -1,-0.1 2,-0.0 4,-0.1 -0.409 360.0 360.0 -64.8 360.0 13.7 -4.6 48.5 62 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 63 116 A K 0 0 163 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.0 10.8 -10.9 48.9 64 117 A F + 0 0 76 87,-0.1 2,-0.2 2,-0.0 88,-0.0 0.146 360.0 136.9-104.4 18.0 11.3 -12.9 45.7 65 118 A Y - 0 0 84 -4,-0.1 2,-0.6 -5,-0.1 -5,-0.0 -0.443 38.4-159.5 -69.3 134.9 14.2 -10.8 44.3 66 119 A D > + 0 0 87 -2,-0.2 4,-1.1 1,-0.1 -1,-0.1 -0.901 15.0 176.8-120.8 103.0 17.1 -12.8 42.8 67 120 A S H > S+ 0 0 73 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.795 78.8 60.0 -73.0 -30.4 20.3 -10.8 42.7 68 121 A K H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 104.9 47.3 -67.8 -40.1 22.4 -13.7 41.3 69 122 A V H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.852 111.3 51.6 -71.3 -35.4 20.2 -14.1 38.1 70 123 A E H X S+ 0 0 36 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.942 111.9 45.4 -65.8 -48.8 20.3 -10.4 37.4 71 124 A L H X S+ 0 0 35 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.915 111.6 53.7 -58.9 -44.9 24.1 -10.2 37.7 72 125 A D H X S+ 0 0 34 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.909 112.5 43.6 -56.0 -45.1 24.4 -13.3 35.6 73 126 A V H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.864 111.7 53.1 -70.9 -37.9 22.3 -11.7 32.8 74 127 A F H X S+ 0 0 15 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.920 105.6 53.3 -65.0 -44.1 24.0 -8.3 33.0 75 128 A R H X S+ 0 0 86 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.895 109.5 48.8 -60.1 -41.8 27.5 -9.8 32.5 76 129 A Y H X S+ 0 0 21 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.959 112.3 47.4 -61.2 -51.6 26.4 -11.7 29.4 77 130 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 6,-1.1 0.887 113.0 50.1 -56.0 -41.1 24.8 -8.5 27.9 78 131 A S H ><5S+ 0 0 2 -4,-2.9 3,-1.1 4,-0.2 -1,-0.2 0.894 109.3 52.2 -64.0 -40.6 27.9 -6.6 28.8 79 132 A N H 3<5S+ 0 0 128 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.832 107.7 49.0 -68.3 -35.4 30.1 -9.3 27.2 80 133 A I T 3<5S- 0 0 11 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.244 118.6-114.5 -90.1 12.8 28.2 -9.2 23.9 81 134 A N T < 5S+ 0 0 77 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.669 88.5 107.2 71.7 22.6 28.5 -5.4 24.0 82 135 A I S -D 93 0A 41 3,-2.6 3,-1.3 -2,-0.5 -2,-0.0 -0.847 51.6-102.0-129.3 168.2 33.9 -8.1 42.0 91 144 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.801 119.7 41.1 -58.8 -35.1 31.4 -9.5 44.6 92 145 A E T 3 S- 0 0 118 1,-0.2 -35,-1.6 -36,-0.1 2,-0.3 0.437 128.6 -37.3 -96.5 0.3 30.6 -6.2 46.2 93 146 A G E < -CD 56 90A 0 -3,-1.3 -3,-2.6 -37,-0.2 2,-0.3 -0.980 53.5-108.2 167.1-176.4 30.4 -4.2 42.9 94 147 A R E -CD 55 89A 9 -39,-1.8 -39,-2.3 -2,-0.3 2,-0.6 -0.889 16.4-128.7-134.2 164.1 31.6 -3.3 39.4 95 148 A I E -CD 54 88A 0 -7,-2.6 -8,-3.3 -2,-0.3 -7,-1.1 -0.967 37.9-166.1-111.9 111.1 33.4 -0.7 37.5 96 149 A E E -CD 53 86A 5 -43,-3.5 -43,-3.5 -2,-0.6 2,-0.3 -0.684 27.7-105.1 -99.3 150.0 31.2 0.2 34.5 97 150 A E E -C 52 0A 57 -12,-2.7 2,-0.8 -2,-0.3 -45,-0.2 -0.551 42.7-121.7 -61.9 128.9 32.0 2.1 31.3 98 151 A F - 0 0 53 -47,-1.3 2,-1.3 -2,-0.3 -47,-0.1 -0.699 16.0-148.0 -83.6 110.1 30.3 5.5 31.7 99 152 A I - 0 0 18 -2,-0.8 2,-0.9 1,-0.1 -1,-0.1 -0.625 16.5-154.6 -75.3 95.7 27.8 6.0 28.9 100 153 A D + 0 0 106 -2,-1.3 124,-0.3 -49,-0.1 2,-0.3 -0.649 46.4 100.1 -83.1 107.1 28.1 9.8 28.5 101 154 A G S S- 0 0 28 -2,-0.9 122,-0.2 122,-0.1 126,-0.0 -0.945 70.5 -93.9-171.0 163.2 24.9 11.1 27.1 102 155 A E E -E 222 0B 147 120,-1.2 120,-3.3 -2,-0.3 -2,-0.0 -0.696 41.7-110.0 -90.1 142.1 21.7 12.8 28.2 103 156 A P E -E 221 0B 44 0, 0.0 118,-0.2 0, 0.0 115,-0.2 -0.347 37.2-107.6 -62.7 147.8 18.5 10.8 29.0 104 157 A L - 0 0 3 116,-2.0 2,-0.3 113,-1.3 116,-0.1 -0.337 32.8-124.1 -67.6 159.3 15.6 11.2 26.5 105 158 A T > - 0 0 68 1,-0.1 4,-0.8 149,-0.0 -1,-0.1 -0.694 20.6-111.7-100.8 161.7 12.6 13.2 27.7 106 159 A T T >4 S+ 0 0 10 -2,-0.3 3,-0.7 1,-0.2 4,-0.2 0.884 120.4 50.1 -57.2 -38.9 9.1 11.9 27.7 107 160 A K G >4 S+ 0 0 154 1,-0.2 3,-2.1 2,-0.2 4,-0.4 0.867 98.6 66.1 -67.9 -36.7 8.2 14.3 24.9 108 161 A Q G >4 S+ 0 0 58 1,-0.3 3,-1.5 2,-0.2 6,-0.2 0.743 85.0 72.5 -59.8 -24.9 11.2 13.2 22.8 109 162 A L G << S+ 0 0 0 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.755 88.5 63.2 -61.9 -23.1 9.6 9.8 22.3 110 163 A Q G < S+ 0 0 40 -3,-2.1 2,-0.5 -4,-0.2 -1,-0.3 0.736 79.2 101.7 -72.1 -23.2 7.1 11.5 20.0 111 164 A L S X> S- 0 0 22 -3,-1.5 4,-2.6 -4,-0.4 3,-0.7 -0.516 70.5-144.4 -70.9 117.2 9.9 12.4 17.7 112 165 A T H 3> S+ 0 0 1 -2,-0.5 4,-2.1 1,-0.3 5,-0.2 0.872 96.6 52.2 -50.1 -50.5 9.8 9.9 14.8 113 166 A H H 3> S+ 0 0 10 1,-0.2 4,-0.8 531,-0.2 -1,-0.3 0.857 114.3 44.2 -59.2 -35.6 13.6 9.8 14.2 114 167 A I H <> S+ 0 0 2 -3,-0.7 4,-1.5 -6,-0.2 3,-0.4 0.889 109.9 57.0 -72.0 -39.8 14.0 9.0 17.9 115 168 A C H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.863 106.8 47.4 -60.4 -39.5 11.2 6.5 17.9 116 169 A V H X S+ 0 0 6 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.695 105.0 58.2 -81.6 -20.3 12.7 4.3 15.1 117 170 A E H X S+ 0 0 12 -4,-0.8 4,-2.9 -3,-0.4 -1,-0.2 0.890 107.8 47.5 -73.4 -38.1 16.2 4.1 16.6 118 171 A V H X S+ 0 0 0 -4,-1.5 4,-3.2 2,-0.2 5,-0.2 0.891 110.2 52.2 -68.0 -38.8 14.8 2.6 19.8 119 172 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.896 112.6 46.4 -61.2 -40.3 12.7 0.1 17.8 120 173 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-28.1 19.4 6.3 -16.5 703 402 B Y H X S+ 0 0 1 -4,-1.6 4,-2.5 -3,-0.5 -1,-0.2 0.956 107.8 45.1 -61.0 -51.6 19.1 10.1 -16.7 704 403 B L H X S+ 0 0 54 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.940 116.5 46.3 -55.6 -50.5 17.1 9.8 -20.0 705 404 B Q H X S+ 0 0 75 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.939 113.0 47.8 -59.9 -51.7 15.0 7.1 -18.6 706 405 B K H X S+ 0 0 9 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.887 108.7 55.3 -58.8 -41.3 14.3 8.8 -15.2 707 406 B K H X S+ 0 0 47 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.884 107.2 49.8 -60.9 -39.7 13.4 12.0 -17.0 708 407 B K H X S+ 0 0 142 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.868 112.5 48.7 -64.2 -36.3 10.8 10.2 -19.0 709 408 B E H X S+ 0 0 64 -4,-1.8 4,-2.1 2,-0.2 6,-0.2 0.940 108.0 51.5 -70.1 -47.9 9.4 8.7 -15.8 710 409 B L H <>S+ 0 0 0 -4,-3.1 5,-2.2 2,-0.2 6,-1.5 0.860 113.7 47.5 -55.6 -37.8 9.3 12.0 -13.9 711 410 B I H ><5S+ 0 0 87 -4,-1.7 3,-1.8 -5,-0.2 -2,-0.2 0.966 111.8 46.7 -67.5 -55.3 7.4 13.4 -16.9 712 411 B D H 3<5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.764 113.3 52.3 -59.1 -24.7 4.9 10.5 -17.2 713 412 B Q T 3<5S- 0 0 109 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.537 113.4-120.4 -89.3 -8.4 4.5 10.8 -13.4 714 413 B G T < 5S+ 0 0 39 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.569 82.4 118.0 81.4 9.0 3.7 14.5 -13.6 715 414 B I < + 0 0 12 -5,-2.2 -4,-0.2 -6,-0.2 7,-0.2 0.870 57.7 91.9 -73.8 -38.1 6.6 15.4 -11.4 716 415 B L + 0 0 14 -6,-1.5 -2,-0.2 -9,-0.1 2,-0.1 -0.889 69.1 40.5-104.7 141.0 8.2 17.4 -14.2 717 416 B P S > S- 0 0 71 0, 0.0 3,-1.7 0, 0.0 5,-0.2 0.543 72.8-152.4 -84.8 157.2 7.9 20.2 -14.9 718 417 B L G >> S+ 0 0 1 -172,-0.5 4,-2.1 1,-0.3 3,-2.1 0.888 91.6 63.4 -52.8 -45.8 8.0 21.6 -11.3 719 418 B N G 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.538 91.0 68.2 -64.2 -4.7 5.9 24.7 -12.3 720 419 B S G <4 S- 0 0 72 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.492 125.0 -2.2 -93.2 -3.9 3.0 22.5 -13.1 721 420 B W T X4 S+ 0 0 38 -3,-2.1 3,-2.6 -4,-0.2 -2,-0.2 0.458 111.0 79.3-148.7 -43.5 2.4 21.4 -9.5 722 421 B L T 3< S+ 0 0 12 -4,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.806 103.6 41.1 -47.9 -38.5 4.8 22.8 -6.9 723 422 B F T 3 0 0 70 -5,-0.4 -1,-0.3 1,-0.1 -4,-0.1 0.367 360.0 360.0 -96.3 5.0 3.1 26.2 -6.8 724 423 B N < 0 0 126 -3,-2.6 -2,-0.2 0, 0.0 -3,-0.1 0.845 360.0 360.0-102.0 360.0 -0.4 24.8 -6.8