==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-APR-06 2CKQ . COMPND 2 MOLECULE: CHOLINE KINASE ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.MALITO,A.LAVIE . 694 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 69.0 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 . 81 11.7 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 . 2 0.3 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 . 38 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 37.8 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+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 1 4 1 1 3 0 6 0 0 1 1 0 0 0 0 0 0 0 0 0 0 2 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 2 4 5 3 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 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 85 A P 0 0 91 0, 0.0 30,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 83.2 31.4 -9.1 -20.0 2 86 A R - 0 0 90 2,-0.1 3,-0.1 0, 0.0 0, 0.0 0.135 360.0 -85.3-161.6 24.2 33.7 -10.2 -22.8 3 87 A T S S+ 0 0 112 1,-0.2 2,-1.3 2,-0.0 0, 0.0 0.461 89.5 129.7 71.8 4.7 34.2 -7.3 -25.2 4 88 A R > + 0 0 51 1,-0.1 3,-1.1 2,-0.0 -1,-0.2 -0.717 30.7 176.6 -87.3 86.9 31.0 -8.2 -27.1 5 89 A R T 3> + 0 0 47 -2,-1.3 4,-1.4 1,-0.3 3,-0.1 0.186 55.5 101.4 -80.8 16.5 29.4 -4.7 -27.1 6 90 A R H 3> S+ 0 0 153 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.807 74.5 62.3 -63.5 -33.4 26.5 -6.1 -29.2 7 91 A A H <> S+ 0 0 4 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.843 102.3 49.2 -61.1 -38.8 24.6 -6.2 -25.8 8 92 A Y H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 113.8 44.9 -64.9 -45.0 24.8 -2.4 -25.6 9 93 A L H X S+ 0 0 79 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.870 111.4 53.2 -71.2 -39.9 23.6 -1.9 -29.2 10 94 A W H X S+ 0 0 30 -4,-2.8 4,-1.6 1,-0.2 5,-0.2 0.925 113.7 43.1 -57.1 -47.8 20.8 -4.4 -28.7 11 95 A C H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.876 113.6 52.3 -66.5 -38.9 19.6 -2.6 -25.6 12 96 A K H < S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 117.4 35.0 -66.9 -42.1 20.1 0.9 -27.3 13 97 A E H < S+ 0 0 52 -4,-2.3 477,-3.1 1,-0.1 478,-0.3 0.703 124.2 40.6 -88.4 -21.3 18.0 0.1 -30.4 14 98 A F H < S+ 0 0 16 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.689 102.5 71.3-101.5 -23.8 15.4 -2.2 -28.8 15 99 A L S < S- 0 0 0 -4,-1.8 475,-0.1 -5,-0.2 2,-0.0 -0.758 74.6-128.5-101.1 143.8 14.6 -0.4 -25.5 16 100 A P > + 0 0 46 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.216 63.5 5.6 -81.1 173.5 12.7 2.9 -25.1 17 101 A G G > S+ 0 0 40 1,-0.2 3,-1.8 2,-0.2 36,-0.1 -0.245 126.5 11.9 62.8-134.1 13.6 6.1 -23.2 18 102 A A G 3 S+ 0 0 17 1,-0.3 -1,-0.2 3,-0.1 39,-0.0 0.687 122.4 65.0 -51.3 -25.6 17.0 6.5 -21.5 19 103 A W G X S+ 0 0 0 -3,-1.2 3,-1.6 2,-0.1 2,-0.4 0.834 82.9 84.6 -69.7 -36.7 18.3 3.4 -23.4 20 104 A R T < S+ 0 0 74 -3,-1.8 3,-0.1 1,-0.3 -7,-0.1 -0.576 110.9 4.4 -66.2 122.5 17.9 5.2 -26.7 21 105 A G T 3 S+ 0 0 55 -2,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.663 89.7 157.7 71.1 17.1 21.1 7.2 -27.2 22 106 A L < - 0 0 4 -3,-1.6 -1,-0.3 -14,-0.1 2,-0.1 -0.609 47.7-110.2 -70.5 130.1 22.7 5.8 -24.0 23 107 A R > - 0 0 142 -2,-0.3 3,-2.0 1,-0.1 -1,-0.1 -0.392 17.4-123.0 -71.9 139.2 26.5 6.2 -24.2 24 108 A E G > S+ 0 0 116 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.817 110.0 53.9 -48.5 -42.3 28.6 3.0 -24.6 25 109 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.678 101.4 60.2 -70.8 -19.2 30.7 3.8 -21.5 26 110 A E G < S+ 0 0 40 -3,-2.0 2,-0.5 2,-0.0 -1,-0.3 0.053 80.7 113.1 -96.9 26.3 27.6 4.1 -19.3 27 111 A F < - 0 0 29 -3,-1.1 2,-0.6 18,-0.1 18,-0.1 -0.876 52.1-155.8-107.0 123.0 26.4 0.6 -20.0 28 112 A H E +A 44 0A 96 16,-1.5 16,-2.2 -2,-0.5 2,-0.4 -0.870 22.0 161.9-104.3 113.6 26.3 -2.0 -17.1 29 113 A I E +A 43 0A 48 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.995 4.0 165.0-133.0 130.2 26.5 -5.7 -18.1 30 114 A S E -A 42 0A 64 12,-1.5 12,-2.6 -2,-0.4 2,-0.1 -0.987 34.5-107.3-140.7 152.0 27.4 -8.8 -16.0 31 115 A V E -A 41 0A 44 -2,-0.3 2,-0.5 10,-0.2 10,-0.3 -0.354 19.1-146.3 -76.4 152.0 26.9 -12.6 -16.4 32 116 A I - 0 0 45 8,-2.7 3,-0.4 -2,-0.1 8,-0.4 -0.962 17.6-145.3-122.4 113.4 24.4 -14.7 -14.5 33 117 A R + 0 0 189 -2,-0.5 6,-0.0 1,-0.2 8,-0.0 -0.313 61.9 73.1 -74.5 156.0 25.7 -18.3 -13.7 34 118 A G + 0 0 42 1,-0.4 -1,-0.2 211,-0.1 167,-0.1 -0.308 60.6 100.1 143.4 -56.1 23.4 -21.3 -13.6 35 119 A G - 0 0 42 -3,-0.4 -1,-0.4 3,-0.2 5,-0.1 -0.295 45.0-162.2 -69.3 148.4 22.2 -22.5 -17.1 36 120 A L S S+ 0 0 28 3,-0.1 288,-0.2 288,-0.0 -1,-0.1 0.388 89.9 32.4-108.8 -1.8 23.8 -25.4 -18.9 37 121 A S S S+ 0 0 23 1,-0.3 2,-0.3 285,-0.1 286,-0.2 0.705 116.8 36.7-113.1 -53.9 22.4 -24.5 -22.4 38 122 A N S S- 0 0 22 26,-0.1 -1,-0.3 27,-0.1 2,-0.3 -0.707 70.1-121.5-114.0 154.3 22.2 -20.7 -22.7 39 123 A M E - B 0 63A 62 24,-1.7 24,-1.6 -2,-0.3 2,-0.4 -0.651 26.9-162.6 -85.0 146.7 24.1 -17.6 -21.5 40 124 A L E + B 0 62A 26 -8,-0.4 -8,-2.7 -2,-0.3 2,-0.3 -0.998 9.5 178.0-137.4 140.3 22.4 -15.0 -19.4 41 125 A F E -AB 31 61A 31 20,-1.7 20,-3.1 -2,-0.4 2,-0.4 -0.988 23.7-133.2-139.3 145.6 23.3 -11.4 -18.6 42 126 A Q E -AB 30 60A 63 -12,-2.6 -12,-1.5 -2,-0.3 2,-0.4 -0.868 20.4-165.9 -95.9 132.8 21.9 -8.5 -16.7 43 127 A C E +AB 29 59A 0 16,-2.8 16,-2.9 -2,-0.4 2,-0.3 -0.986 14.9 171.2-120.9 127.0 21.7 -5.1 -18.4 44 128 A S E -AB 28 58A 21 -16,-2.2 -16,-1.5 -2,-0.4 14,-0.2 -0.945 33.8-121.4-137.4 153.0 21.1 -2.0 -16.4 45 129 A L - 0 0 14 12,-2.3 -18,-0.1 -2,-0.3 2,-0.1 -0.596 53.6 -89.1 -78.4 151.4 21.0 1.8 -16.6 46 130 A P > - 0 0 18 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.417 35.9-117.7 -63.3 142.1 23.4 3.6 -14.1 47 131 A D T 3 S+ 0 0 163 1,-0.3 -2,-0.0 -2,-0.1 10,-0.0 0.746 115.1 56.0 -52.3 -29.6 21.6 4.3 -10.8 48 132 A T T 3 S+ 0 0 134 1,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.846 93.5 75.1 -72.1 -38.5 22.1 8.0 -11.3 49 133 A T < + 0 0 47 -3,-1.1 2,-0.3 8,-0.1 -4,-0.1 -0.703 60.5 162.1 -78.9 115.9 20.3 7.9 -14.7 50 134 A A - 0 0 92 -2,-0.6 2,-0.2 -32,-0.0 -3,-0.0 -0.849 14.2-171.2-143.5 101.7 16.6 7.6 -14.0 51 135 A T - 0 0 77 -2,-0.3 2,-0.4 4,-0.1 -2,-0.0 -0.619 22.9-117.3 -99.6 151.8 14.0 8.5 -16.7 52 136 A L + 0 0 98 -2,-0.2 2,-0.3 2,-0.0 3,-0.1 -0.712 68.2 73.8 -86.1 134.4 10.2 8.8 -16.6 53 137 A G S S- 0 0 60 -2,-0.4 -2,-0.0 2,-0.1 0, 0.0 -0.898 95.0 -70.2 152.8-176.4 8.2 6.4 -18.7 54 138 A D S S+ 0 0 141 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.757 90.7 117.8 -71.3 -26.6 7.1 2.8 -18.7 55 139 A E - 0 0 22 1,-0.1 2,-0.2 -3,-0.1 -2,-0.1 0.006 64.0-119.5 -57.2 143.7 10.6 1.7 -19.5 56 140 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.540 1.8-146.0 -82.8 147.9 12.6 -0.6 -17.1 57 141 A R S S+ 0 0 63 -2,-0.2 -12,-2.3 1,-0.2 2,-0.3 0.609 89.2 39.8 -79.2 -13.1 15.9 0.3 -15.4 58 142 A K E +B 44 0A 31 -14,-0.2 41,-0.8 41,-0.1 2,-0.3 -0.999 64.4 167.3-147.8 129.4 17.0 -3.4 -15.7 59 143 A V E -BC 43 98A 0 -16,-2.9 -16,-2.8 -2,-0.3 2,-0.4 -0.874 27.4-119.3-135.2 170.0 16.6 -6.1 -18.3 60 144 A L E -BC 42 97A 20 37,-2.8 37,-1.8 -2,-0.3 2,-0.5 -0.896 12.9-154.5-112.6 146.1 18.0 -9.6 -19.1 61 145 A L E -BC 41 96A 2 -20,-3.1 -20,-1.7 -2,-0.4 2,-0.5 -0.966 12.7-173.7-120.3 117.2 19.9 -10.7 -22.2 62 146 A R E -BC 40 95A 16 33,-2.1 33,-1.9 -2,-0.5 2,-0.5 -0.938 4.4-164.8-113.5 123.8 19.7 -14.4 -23.1 63 147 A L E -BC 39 94A 48 -24,-1.6 -24,-1.7 -2,-0.5 31,-0.2 -0.930 25.2-115.5-110.2 131.1 21.8 -15.9 -25.9 64 148 A Y - 0 0 51 29,-1.9 -26,-0.1 -2,-0.5 -1,-0.0 -0.276 21.5-135.3 -67.6 150.3 20.9 -19.3 -27.4 65 149 A G 0 0 43 1,-0.2 258,-0.1 257,-0.0 -1,-0.1 0.920 360.0 360.0 -78.7 -60.6 23.4 -22.2 -27.0 66 150 A A 0 0 117 256,-0.1 -1,-0.2 -28,-0.0 255,-0.1 -0.538 360.0 360.0 161.3 360.0 24.1 -24.3 -30.1 67 ! 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 68 177 A M > 0 0 90 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-175.3 15.3 -20.2 -33.6 69 178 A V H > + 0 0 36 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.821 360.0 57.0 -67.2 -45.0 11.5 -19.7 -34.2 70 179 A L H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 111.9 43.1 -59.8 -42.3 9.8 -22.1 -31.9 71 180 A E H > S+ 0 0 20 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 116.3 49.8 -70.1 -36.6 11.5 -20.7 -28.7 72 181 A S H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.983 114.5 41.8 -61.6 -61.1 10.8 -17.1 -30.0 73 182 A V H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.867 114.8 52.9 -57.0 -40.3 7.1 -17.7 -30.8 74 183 A M H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.910 109.5 47.7 -63.2 -44.3 6.7 -19.6 -27.5 75 184 A F H X S+ 0 0 23 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.889 112.3 50.4 -63.5 -41.5 8.2 -16.9 -25.4 76 185 A A H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 111.2 47.2 -60.3 -51.8 6.0 -14.3 -27.1 77 186 A I H X S+ 0 0 3 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.928 115.0 45.8 -58.0 -48.7 2.8 -16.2 -26.6 78 187 A L H <>S+ 0 0 7 -4,-2.3 5,-3.0 1,-0.2 6,-0.9 0.906 112.5 50.8 -63.5 -43.9 3.6 -16.9 -22.9 79 188 A A H ><5S+ 0 0 15 -4,-2.7 3,-1.1 4,-0.2 -1,-0.2 0.898 109.9 51.9 -52.4 -43.1 4.6 -13.3 -22.5 80 189 A E H 3<5S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.760 110.4 47.2 -70.3 -25.7 1.2 -12.3 -24.1 81 190 A R T 3<5S- 0 0 84 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.327 114.0-115.3 -96.4 6.0 -0.7 -14.5 -21.7 82 191 A S T < 5S+ 0 0 106 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.785 85.6 119.4 63.2 30.5 1.1 -13.2 -18.6 83 192 A L S -D 94 0A 10 3,-2.3 3,-0.6 -2,-0.3 -2,-0.0 -0.862 55.9 -95.6-140.7 167.1 16.6 -11.3 -32.6 92 201 A P T 3 S+ 0 0 44 0, 0.0 -28,-0.1 0, 0.0 3,-0.1 0.845 122.1 49.8 -56.8 -32.8 17.9 -14.6 -34.2 93 202 A Q T 3 S- 0 0 89 1,-0.1 -29,-1.9 -30,-0.1 2,-0.3 0.664 125.6 -58.4 -82.4 -20.7 20.7 -14.8 -31.6 94 203 A G E < -CD 63 91A 0 -3,-0.6 -3,-2.3 -31,-0.2 2,-0.3 -0.946 55.4 -86.8 173.7-153.5 18.6 -14.3 -28.4 95 204 A R E -CD 62 90A 3 -33,-1.9 -33,-2.1 -2,-0.3 2,-0.5 -0.980 13.1-130.5-150.0 158.5 16.2 -12.0 -26.6 96 205 A L E +CD 61 89A 0 -7,-2.3 -8,-3.0 -2,-0.3 -7,-2.0 -0.981 39.7 177.0-110.8 120.2 15.8 -9.1 -24.2 97 206 A E E -CD 60 87A 6 -37,-1.8 -37,-2.8 -2,-0.5 -10,-0.2 -0.851 34.3 -84.5-127.8 157.9 13.3 -9.9 -21.5 98 207 A Q E -C 59 0A 59 -12,-2.8 2,-0.6 -2,-0.3 -39,-0.2 -0.302 38.1-128.2 -57.9 132.6 11.9 -8.4 -18.3 99 208 A F - 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0 0 3 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.305 41.6-125.4 -57.5 135.4 -6.5 10.6 -53.5 613 371 B T > - 0 0 75 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.245 30.7-101.2 -65.3 167.0 -7.4 14.3 -54.0 614 372 B K H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.857 127.2 55.9 -60.1 -34.5 -6.4 16.7 -51.3 615 373 B K H > S+ 0 0 171 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 111.3 41.5 -59.4 -49.8 -10.0 16.5 -50.1 616 374 B Q H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.841 114.1 52.4 -70.2 -37.0 -9.8 12.7 -49.8 617 375 B Q H X S+ 0 0 15 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.904 110.9 48.4 -61.2 -45.1 -6.3 12.9 -48.2 618 376 B L H X S+ 0 0 43 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.846 108.5 53.5 -64.2 -36.3 -7.7 15.4 -45.7 619 377 B H H < S+ 0 0 76 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.906 110.4 48.4 -64.6 -40.8 -10.7 13.2 -44.9 620 378 B F H >X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 3,-1.3 0.934 114.4 42.5 -63.5 -51.9 -8.3 10.3 -44.2 621 379 B I H 3X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.810 104.6 65.2 -74.5 -27.7 -5.9 12.1 -41.9 622 380 B S H 3< S+ 0 0 36 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.621 111.9 37.6 -61.1 -16.0 -8.9 13.8 -40.2 623 381 B S H <> S+ 0 0 31 -3,-1.3 4,-0.7 -4,-0.3 -2,-0.2 0.727 115.1 53.3-102.2 -38.8 -9.8 10.3 -39.0 624 382 B Y H >X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.1 3,-0.6 0.927 105.4 55.2 -54.7 -49.8 -6.2 9.1 -38.4 625 383 B L H >X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 3,-1.4 0.915 103.1 48.3 -62.6 -55.1 -5.3 12.0 -36.2 626 384 B P H 34 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.730 115.7 49.9 -58.0 -19.6 -8.0 11.9 -33.4 627 385 B A H << S+ 0 0 44 -4,-0.7 -2,-0.2 -3,-0.6 -3,-0.1 0.614 118.4 35.9 -90.7 -14.8 -7.2 8.1 -33.2 628 386 B F H << S+ 0 0 60 -3,-1.4 2,-0.5 -4,-0.8 -3,-0.2 0.696 115.7 52.1-108.8 -29.6 -3.4 8.6 -32.9 629 387 B Q < - 0 0 65 -4,-2.9 3,-0.3 -5,-0.2 4,-0.3 -0.966 66.8-155.6-116.3 118.0 -3.1 11.8 -30.8 630 388 B N S S+ 0 0 111 -2,-0.5 3,-0.3 1,-0.2 4,-0.2 0.905 94.0 46.6 -59.1 -44.5 -5.1 11.8 -27.6 631 389 B D S > S+ 0 0 49 1,-0.2 3,-2.4 2,-0.1 4,-0.4 0.824 84.3 106.3 -62.2 -33.4 -5.3 15.6 -27.5 632 390 B F G > S+ 0 0 0 -3,-0.3 3,-2.0 1,-0.3 -1,-0.2 0.543 73.7 42.8 -36.5 -62.1 -6.3 16.2 -31.1 633 391 B E G 3 S+ 0 0 98 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.691 109.9 60.2 -67.5 -14.7 -10.0 17.1 -31.2 634 392 B N G < S+ 0 0 153 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.662 86.1 104.2 -77.2 -18.6 -9.6 19.5 -28.3 635 393 B L S < S- 0 0 38 -3,-2.0 2,-0.0 -4,-0.4 5,-0.0 -0.114 82.3 -90.3 -66.1 160.3 -7.0 21.6 -30.1 636 394 B S > - 0 0 67 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.314 32.2-116.2 -66.4 153.6 -7.7 25.0 -31.7 637 395 B T H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.931 116.9 52.3 -54.6 -50.6 -9.0 25.2 -35.3 638 396 B E H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 111.6 46.2 -51.5 -46.6 -5.8 27.1 -36.3 639 397 B E H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 109.0 54.1 -69.5 -37.7 -3.5 24.4 -34.7 640 398 B K H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.857 108.3 49.8 -64.5 -39.7 -5.5 21.5 -36.3 641 399 B S H X S+ 0 0 67 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.890 108.7 53.3 -63.4 -42.4 -5.1 22.9 -39.8 642 400 B I H X S+ 0 0 95 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.911 111.3 45.1 -59.8 -44.9 -1.3 23.4 -39.2 643 401 B I H X S+ 0 0 36 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.919 115.6 46.7 -66.1 -45.8 -0.9 19.7 -38.2 644 402 B K H X S+ 0 0 40 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.901 113.2 48.2 -62.2 -46.5 -3.0 18.5 -41.1 645 403 B E H X S+ 0 0 89 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.885 113.2 47.9 -65.2 -39.6 -1.2 20.7 -43.7 646 404 B E H X S+ 0 0 133 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.911 111.5 50.8 -64.9 -40.6 2.2 19.6 -42.4 647 405 B M H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.872 104.3 58.5 -63.4 -37.2 1.0 15.9 -42.5 648 406 B L H X S+ 0 0 11 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.926 110.5 41.6 -58.1 -47.4 -0.1 16.4 -46.1 649 407 B L H X S+ 0 0 101 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.879 113.3 55.4 -62.8 -43.2 3.4 17.4 -47.1 650 408 B E H X S+ 0 0 11 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.936 110.7 42.2 -55.0 -52.5 4.9 14.7 -45.0 651 409 B V H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.839 111.7 53.1 -72.2 -32.6 2.9 11.8 -46.6 652 410 B N H < S+ 0 0 19 -4,-1.5 4,-0.3 -5,-0.3 -1,-0.2 0.764 109.6 49.7 -76.5 -25.8 3.3 12.9 -50.2 653 411 B R H >< S+ 0 0 78 -4,-1.5 3,-0.8 -3,-0.2 4,-0.4 0.862 112.2 47.8 -71.0 -40.2 7.1 13.2 -49.8 654 412 B F H >X S+ 0 0 1 -4,-1.7 4,-1.4 1,-0.2 3,-1.0 0.768 95.6 72.9 -74.3 -24.0 7.1 9.6 -48.3 655 413 B A H 3X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.788 89.4 63.3 -55.2 -28.4 4.9 8.4 -51.2 656 414 B L H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.3 -1,-0.2 0.826 98.4 52.8 -65.4 -36.3 8.1 8.8 -53.3 657 415 B A H <> S+ 0 0 0 -3,-1.0 4,-3.1 -4,-0.4 5,-0.3 0.863 104.5 57.1 -65.9 -38.2 9.7 6.1 -51.1 658 416 B S H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.911 110.0 43.4 -55.9 -45.6 6.7 3.8 -51.9 659 417 B H H X S+ 0 0 2 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.932 118.9 43.2 -68.0 -45.5 7.3 4.1 -55.6 660 418 B F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.950 115.5 47.7 -65.9 -51.8 11.1 3.7 -55.4 661 419 B L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.914 117.8 40.3 -55.3 -50.1 11.0 0.8 -52.8 662 420 B W H X S+ 0 0 12 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.727 109.3 61.1 -77.8 -21.0 8.4 -1.2 -54.7 663 421 B G H X S+ 0 0 0 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.2 0.938 111.1 39.5 -64.6 -47.8 9.9 -0.4 -58.1 664 422 B L H >X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-1.9 0.969 113.7 53.6 -65.0 -57.5 13.1 -2.2 -57.0 665 423 B W H 3X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.889 107.0 54.3 -35.5 -52.7 11.3 -5.0 -55.2 666 424 B S H 3< S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.3 0.690 107.1 49.8 -64.9 -22.2 9.4 -5.6 -58.4 667 425 B I H X< S+ 0 0 0 -3,-1.9 3,-0.8 -4,-0.6 4,-0.4 0.901 110.1 49.6 -80.5 -45.9 12.7 -6.0 -60.4 668 426 B V H >X S+ 0 0 13 -4,-2.3 4,-1.4 1,-0.2 3,-1.4 0.892 108.8 54.6 -54.1 -41.8 14.1 -8.4 -57.8 669 427 B Q H 3X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.732 95.0 68.0 -67.8 -22.8 10.8 -10.4 -58.1 670 428 B A H <4 S+ 0 0 12 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.646 111.2 32.4 -72.3 -14.8 11.2 -10.6 -61.9 671 429 B K H <4 S+ 0 0 54 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.632 132.0 28.8-109.8 -25.5 14.2 -12.9 -61.4 672 430 B I H < S+ 0 0 80 -4,-1.4 2,-0.3 0, 0.0 -3,-0.2 0.509 93.7 96.5-119.4 -8.4 13.2 -14.8 -58.3 673 431 B S < - 0 0 29 -4,-2.0 4,-0.1 -5,-0.2 -255,-0.1 -0.711 46.0-165.1 -96.4 142.4 9.4 -15.0 -58.1 674 432 B S + 0 0 128 -2,-0.3 2,-0.3 -257,-0.2 -1,-0.1 0.304 56.7 109.9-101.2 4.8 7.3 -17.9 -59.2 675 433 B I S S- 0 0 42 -287,-0.2 2,-1.0 -6,-0.1 -2,-0.1 -0.605 79.1-110.4 -85.6 141.8 3.9 -16.0 -59.2 676 434 B E S S+ 0 0 129 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 -0.625 70.5 120.0 -74.2 100.6 2.2 -15.1 -62.6 677 435 B F S S- 0 0 21 -2,-1.0 2,-1.5 -4,-0.1 3,-0.2 -0.986 72.0-110.3-162.2 151.9 2.7 -11.3 -62.8 678 436 B G > + 0 0 1 -76,-2.4 4,-2.6 -2,-0.3 5,-0.2 -0.458 45.3 164.6 -88.6 64.1 4.2 -8.6 -64.9 679 437 B Y H > S+ 0 0 10 -2,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.793 73.7 47.4 -51.3 -39.2 6.9 -7.7 -62.4 680 438 B M H > S+ 0 0 6 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 113.4 47.4 -71.4 -47.1 9.0 -5.7 -65.0 681 439 B D H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.855 111.9 52.6 -55.8 -39.0 6.0 -3.8 -66.3 682 440 B Y H X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.888 106.1 52.9 -64.9 -41.0 5.0 -3.1 -62.7 683 441 B A H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.864 108.6 49.3 -64.6 -38.2 8.5 -1.7 -61.9 684 442 B Q H X S+ 0 0 27 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.910 109.1 53.4 -65.9 -41.7 8.3 0.7 -64.8 685 443 B A H X S+ 0 0 17 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.866 109.4 48.2 -60.7 -38.7 4.8 1.9 -63.7 686 444 B R H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.897 114.3 44.5 -71.2 -42.5 6.2 2.7 -60.2 687 445 B F H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 5,-0.2 0.808 110.9 55.3 -71.5 -31.1 9.2 4.6 -61.4 688 446 B D H X S+ 0 0 85 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.948 110.5 45.7 -57.8 -49.3 6.9 6.4 -63.9 689 447 B A H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.738 107.5 60.3 -66.8 -23.2 4.8 7.4 -60.9 690 448 B Y H X S+ 0 0 2 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.922 109.2 38.6 -73.1 -49.7 7.9 8.5 -59.0 691 449 B F H X S+ 0 0 64 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.886 114.7 56.6 -67.5 -39.1 9.1 11.1 -61.4 692 450 B H H X S+ 0 0 83 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.952 113.0 40.5 -52.4 -53.1 5.5 12.1 -62.0 693 451 B Q H X S+ 0 0 20 -4,-2.3 4,-1.6 2,-0.2 6,-0.2 0.833 109.0 59.4 -67.8 -36.2 5.1 12.8 -58.2 694 452 B K H <>S+ 0 0 40 -4,-2.2 5,-1.2 1,-0.2 4,-0.4 0.885 109.4 45.8 -61.4 -38.1 8.6 14.3 -57.9 695 453 B R H ><5S+ 0 0 186 -4,-2.1 3,-1.7 2,-0.2 -2,-0.2 0.942 106.7 56.4 -66.3 -51.3 7.4 17.0 -60.4 696 454 B K H 3<5S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.806 110.4 47.5 -51.8 -31.2 4.0 17.5 -58.7 697 455 B L T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.605 107.5-128.0 -86.1 -15.2 5.9 18.4 -55.5 698 456 B G T < 5 0 0 70 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.543 360.0 360.0 76.5 6.3 8.3 20.7 -57.3 699 457 B V < 0 0 90 -5,-1.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.281 360.0 360.0 -85.6 360.0 11.2 18.8 -55.8