==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE ACTIVATOR 08-SEP-10 3ORZ . COMPND 2 MOLECULE: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.SADOWSKY,J.A.WELLS . 1112 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 774 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 102 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 4 8 0 4 2 6 0 1 3 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 4 0 4 8 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 . 4 0 4 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 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 74 A P 0 0 182 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.1 16.9 -11.2 22.5 2 75 A R - 0 0 177 1,-0.1 3,-0.1 3,-0.0 2,-0.1 -0.251 360.0 -95.5 -63.8 156.2 13.5 -11.0 20.9 3 76 A K - 0 0 70 1,-0.1 -1,-0.1 74,-0.0 73,-0.1 -0.399 48.8 -98.3 -66.3 151.1 12.3 -13.7 18.5 4 77 A K - 0 0 63 71,-0.2 73,-0.3 -3,-0.1 -1,-0.1 -0.263 38.2-150.2 -64.9 160.9 12.9 -13.0 14.8 5 78 A R > - 0 0 18 71,-0.1 3,-2.0 -3,-0.1 4,-0.2 -0.901 28.6-107.9-130.0 160.4 10.0 -11.6 12.8 6 79 A P G > S+ 0 0 26 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.879 117.5 65.2 -54.5 -36.2 9.1 -12.0 9.1 7 80 A E G 3 S+ 0 0 144 1,-0.3 792,-0.1 3,-0.1 22,-0.1 0.675 87.5 69.9 -62.3 -16.9 10.2 -8.3 8.6 8 81 A D G < S+ 0 0 21 -3,-2.0 21,-2.0 21,-0.1 22,-0.5 0.537 99.4 58.8 -76.4 -6.3 13.7 -9.3 9.5 9 82 A F E < S-A 28 0A 11 -3,-2.1 2,-0.7 19,-0.2 19,-0.2 -0.915 70.6-138.0-128.5 148.5 14.0 -11.2 6.2 10 83 A K E -A 27 0A 126 17,-2.2 17,-2.1 -2,-0.3 2,-0.5 -0.943 33.1-142.6 -97.2 111.3 13.8 -10.6 2.5 11 84 A F E +A 26 0A 67 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.660 28.4 174.2 -81.4 126.2 11.9 -13.7 1.3 12 85 A G E - 0 0 44 13,-3.0 -1,-0.1 -2,-0.5 14,-0.1 0.188 39.0 -6.6-108.1-138.9 13.1 -14.9 -2.1 13 86 A K E - 0 0 94 11,-0.1 12,-2.6 1,-0.1 2,-0.5 -0.245 66.4-115.6 -63.6 143.1 12.5 -17.8 -4.4 14 87 A I E -A 24 0A 90 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.699 24.3-164.9 -74.4 125.6 10.3 -20.6 -3.3 15 88 A L E - 0 0 68 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.900 62.1 -38.1 -80.1 -44.7 12.5 -23.7 -3.1 16 89 A G E -A 23 0A 34 7,-1.6 7,-2.9 -3,-0.1 2,-0.4 -0.967 50.9-127.9-173.8 162.5 9.6 -26.2 -3.0 17 90 A E E -A 22 0A 145 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.983 19.1-173.3-127.1 134.6 6.2 -26.8 -1.6 18 91 A G - 0 0 50 3,-2.7 3,-0.2 -2,-0.4 -2,-0.0 -0.511 47.3 -85.3-110.3-175.4 4.9 -29.8 0.4 19 92 A S S S+ 0 0 102 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.829 125.9 19.8 -62.6 -31.8 1.4 -30.7 1.5 20 93 A F S S+ 0 0 40 1,-0.1 21,-1.1 20,-0.0 2,-0.3 0.354 124.7 29.8-121.0 5.1 1.6 -28.6 4.7 21 94 A S E - B 0 40A 14 -3,-0.2 -3,-2.7 19,-0.2 2,-0.4 -0.980 55.4-134.0-158.7 165.1 4.4 -26.1 4.1 22 95 A T E -AB 17 39A 36 17,-2.2 17,-3.5 -2,-0.3 2,-0.6 -0.998 18.2-149.5-125.0 130.8 6.5 -24.0 1.7 23 96 A V E -AB 16 38A 40 -7,-2.9 -8,-2.6 -2,-0.4 -7,-1.6 -0.909 23.1-173.6-101.0 124.5 10.2 -23.9 2.0 24 97 A V E -AB 14 37A 10 13,-2.6 13,-2.9 -2,-0.6 2,-0.4 -0.963 27.8-123.7-127.7 132.5 11.5 -20.5 0.9 25 98 A L E + B 0 36A 12 -12,-2.6 -13,-3.0 -2,-0.4 2,-0.3 -0.589 43.2 177.0 -70.4 127.3 15.1 -19.1 0.3 26 99 A A E -AB 11 35A 2 9,-2.8 9,-3.0 -2,-0.4 2,-0.5 -0.984 27.0-143.3-140.0 148.2 15.4 -16.1 2.6 27 100 A R E -AB 10 34A 98 -17,-2.1 -17,-2.2 -2,-0.3 2,-0.7 -0.945 18.1-135.4-112.9 119.8 18.1 -13.6 3.5 28 101 A E E >> -AB 9 33A 22 5,-3.5 4,-1.7 -2,-0.5 5,-0.9 -0.667 22.6-151.2 -69.6 114.5 18.3 -12.3 7.1 29 102 A L T 45S+ 0 0 66 -21,-2.0 3,-0.3 -2,-0.7 -1,-0.2 0.893 84.7 57.0 -65.1 -46.2 18.8 -8.6 6.2 30 103 A A T 45S+ 0 0 54 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.853 126.2 20.4 -52.7 -39.0 20.8 -7.4 9.2 31 104 A T T 45S- 0 0 87 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.412 97.2-125.3-114.6 -0.5 23.6 -10.0 8.6 32 105 A S T <5 + 0 0 76 -4,-1.7 2,-0.3 -3,-0.3 -3,-0.2 0.691 57.1 154.8 63.8 19.7 23.0 -10.9 5.0 33 106 A R E < -B 28 0A 133 -5,-0.9 -5,-3.5 -6,-0.0 2,-0.3 -0.625 37.9-135.7 -85.0 135.5 22.8 -14.6 6.0 34 107 A E E +B 27 0A 65 -2,-0.3 54,-0.4 -7,-0.2 2,-0.3 -0.715 27.1 173.3 -91.5 137.7 20.8 -17.0 3.8 35 108 A Y E -B 26 0A 27 -9,-3.0 -9,-2.8 -2,-0.3 2,-0.8 -0.975 35.7-126.1-137.2 151.5 18.4 -19.5 5.3 36 109 A A E -BC 25 86A 8 50,-2.6 50,-2.8 -2,-0.3 2,-0.6 -0.908 34.3-159.7 -90.8 112.6 15.9 -22.1 4.1 37 110 A I E -BC 24 85A 0 -13,-2.9 -13,-2.6 -2,-0.8 2,-0.7 -0.876 7.1-150.4-101.3 119.9 12.8 -21.1 5.9 38 111 A K E -BC 23 84A 15 46,-2.5 46,-2.7 -2,-0.6 2,-0.6 -0.795 14.1-159.4 -87.7 117.2 10.1 -23.7 6.2 39 112 A I E -BC 22 83A 28 -17,-3.5 -17,-2.2 -2,-0.7 2,-0.4 -0.885 6.3-166.5-105.3 118.9 6.7 -21.9 6.4 40 113 A L E -BC 21 82A 1 42,-2.7 42,-1.8 -2,-0.6 2,-0.7 -0.876 18.4-134.5-110.8 134.3 3.8 -23.9 7.9 41 114 A E E > - C 0 81A 82 -21,-1.1 4,-1.8 -2,-0.4 40,-0.2 -0.774 13.7-154.3 -88.6 113.0 0.2 -22.9 7.7 42 115 A K H > S+ 0 0 57 38,-2.1 4,-3.3 -2,-0.7 5,-0.2 0.918 89.7 50.9 -55.6 -51.3 -1.3 -23.4 11.2 43 116 A R H > S+ 0 0 66 37,-0.4 4,-3.2 1,-0.2 5,-0.2 0.919 109.0 50.8 -52.8 -49.5 -4.9 -23.9 10.1 44 117 A H H > S+ 0 0 71 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.894 116.4 40.8 -59.9 -41.6 -4.0 -26.6 7.5 45 118 A I H <>S+ 0 0 12 -4,-1.8 5,-2.2 2,-0.2 6,-0.5 0.884 114.7 51.7 -74.8 -41.7 -2.0 -28.6 10.1 46 119 A I H ><5S+ 0 0 108 -4,-3.3 3,-2.0 -5,-0.2 -2,-0.2 0.984 112.4 46.4 -52.3 -59.5 -4.5 -28.0 12.9 47 120 A K H 3<5S+ 0 0 75 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.686 113.9 48.6 -62.6 -21.0 -7.3 -29.3 10.7 48 121 A E T 3<5S- 0 0 101 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.296 106.5-121.8-103.5 11.3 -5.3 -32.3 9.5 49 122 A N T < 5S+ 0 0 141 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.909 72.3 130.0 50.1 48.7 -4.1 -33.4 13.0 50 123 A K >>< + 0 0 78 -5,-2.2 3,-1.4 1,-0.1 4,-0.8 0.413 24.8 110.8-110.8 -0.7 -0.5 -33.1 12.0 51 124 A V H >> S+ 0 0 59 -6,-0.5 4,-2.0 1,-0.3 3,-1.5 0.824 72.9 59.2 -44.4 -45.7 0.8 -31.1 14.9 52 125 A P H 3> S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.905 100.9 57.5 -52.5 -40.8 2.9 -33.9 16.3 53 126 A Y H <> S+ 0 0 59 -3,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.826 108.4 49.2 -53.0 -31.1 4.7 -33.9 13.0 54 127 A V H < S+ 0 0 0 -4,-3.1 3,-1.1 -5,-0.2 4,-0.5 0.939 114.3 48.6 -62.2 -48.3 14.6 -33.4 16.5 61 134 A M H >< S+ 0 0 2 -4,-2.2 3,-0.9 -5,-0.4 11,-0.9 0.824 103.7 62.0 -62.2 -31.1 16.2 -30.8 14.3 62 135 A S H 3< S+ 0 0 64 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.767 106.0 46.5 -66.7 -24.4 17.1 -28.7 17.4 63 136 A R T << S+ 0 0 101 -3,-1.1 2,-0.6 -4,-0.9 -1,-0.2 0.457 87.2 104.7 -98.6 0.9 19.3 -31.6 18.7 64 137 A L < + 0 0 7 -3,-0.9 8,-0.3 -4,-0.5 59,-0.0 -0.721 32.6 155.7 -82.4 119.1 21.1 -32.2 15.4 65 138 A D + 0 0 120 -2,-0.6 -1,-0.1 6,-0.1 6,-0.1 -0.493 31.6 109.0-140.8 70.0 24.6 -30.9 15.5 66 139 A H S > S- 0 0 31 3,-0.1 3,-1.6 4,-0.1 53,-0.0 -0.983 73.6-114.4-144.8 148.1 26.6 -32.9 12.9 67 140 A P T 3 S+ 0 0 48 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.745 110.2 56.9 -61.7 -24.7 28.0 -31.7 9.6 68 141 A F T 3 S+ 0 0 2 79,-0.1 80,-2.7 47,-0.1 2,-0.4 0.109 97.3 77.0 -96.0 21.7 25.8 -34.1 7.5 69 142 A F B < S-e 148 0B 0 -3,-1.6 80,-0.2 78,-0.3 -3,-0.1 -0.979 82.0-113.5-129.3 145.1 22.5 -32.8 8.8 70 143 A V - 0 0 1 78,-2.7 2,-0.3 -2,-0.4 -4,-0.1 -0.467 39.2-140.7 -62.8 142.6 20.4 -29.7 8.2 71 144 A K - 0 0 56 -2,-0.1 16,-1.8 -6,-0.1 2,-0.6 -0.860 5.6-134.4-110.8 147.6 20.3 -27.5 11.4 72 145 A L E +D 86 0A 25 -11,-0.9 14,-0.2 -2,-0.3 3,-0.1 -0.912 25.8 173.5 -97.4 120.6 17.4 -25.6 12.9 73 146 A Y E - 0 0 104 12,-3.2 2,-0.3 -2,-0.6 13,-0.1 0.750 59.3 -10.0-100.0 -30.3 18.7 -22.1 13.9 74 147 A F E -D 85 0A 26 11,-0.9 11,-2.8 2,-0.0 2,-0.3 -0.980 50.0-151.3-162.6 166.4 15.5 -20.4 15.0 75 148 A C E +D 84 0A 30 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 20.5 162.5-145.5 134.1 11.7 -20.6 15.1 76 149 A F E -D 83 0A 9 7,-1.9 7,-3.3 -2,-0.3 2,-0.3 -0.915 12.6-161.0-143.1 176.0 9.1 -17.8 15.1 77 150 A Q E -D 82 0A 125 -2,-0.3 2,-0.2 -73,-0.3 5,-0.2 -0.993 14.5-171.4-154.9 159.0 5.4 -17.4 14.5 78 151 A D - 0 0 50 3,-2.4 5,-0.0 -2,-0.3 -2,-0.0 -0.684 55.1 -80.5-131.3-171.8 2.5 -15.2 13.7 79 152 A D S S+ 0 0 155 -2,-0.2 -37,-0.1 1,-0.2 3,-0.0 0.884 127.5 36.9 -62.3 -43.5 -1.2 -15.9 13.7 80 153 A E S S+ 0 0 37 -38,-0.1 -38,-2.1 1,-0.1 -37,-0.4 0.889 119.1 25.2 -72.9 -40.6 -1.1 -17.5 10.3 81 154 A K E -C 41 0A 67 -40,-0.2 -3,-2.4 -39,-0.1 2,-0.4 -0.811 51.5-136.8-138.4 159.1 2.2 -19.4 10.3 82 155 A L E -CD 40 77A 30 -42,-1.8 -42,-2.7 -2,-0.3 2,-0.5 -0.950 27.1-155.2-111.9 131.8 5.1 -21.2 11.9 83 156 A Y E -CD 39 76A 16 -7,-3.3 -7,-1.9 -2,-0.4 2,-0.6 -0.951 7.6-167.7-118.5 119.7 8.5 -20.4 10.6 84 157 A F E -CD 38 75A 3 -46,-2.7 -46,-2.5 -2,-0.5 2,-0.8 -0.918 15.2-145.6-102.2 119.9 11.5 -22.8 10.9 85 158 A G E +CD 37 74A 0 -11,-2.8 -12,-3.2 -2,-0.6 -11,-0.9 -0.767 31.3 178.0 -84.8 111.4 14.9 -21.2 10.1 86 159 A L E -CD 36 72A 9 -50,-2.8 -50,-2.6 -2,-0.8 -14,-0.2 -0.769 36.9 -88.4-117.7 156.6 17.0 -23.9 8.5 87 160 A S - 0 0 12 -16,-1.8 2,-0.5 -2,-0.3 -52,-0.1 -0.357 45.0-130.8 -49.8 135.0 20.4 -24.5 6.9 88 161 A Y - 0 0 41 -54,-0.4 2,-0.8 -18,-0.0 3,-0.1 -0.852 13.2-157.6 -95.0 126.2 20.2 -23.7 3.2 89 162 A A > - 0 0 9 -2,-0.5 3,-2.1 1,-0.1 51,-0.3 -0.857 6.1-163.7-105.3 97.7 21.7 -26.4 1.0 90 163 A K T 3 S+ 0 0 66 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.743 81.0 55.5 -56.5 -31.7 22.5 -24.5 -2.2 91 164 A N T 3 S- 0 0 6 49,-1.8 -1,-0.3 1,-0.2 50,-0.2 0.373 95.6-147.8 -93.7 9.3 22.9 -27.5 -4.4 92 165 A G < - 0 0 23 -3,-2.1 48,-2.6 48,-0.4 -1,-0.2 -0.237 43.1 -0.9 73.0-149.3 19.5 -29.0 -3.8 93 166 A E B > -F 139 0B 75 46,-0.2 4,-1.0 1,-0.1 3,-0.5 -0.510 47.0-134.2 -93.1 145.8 18.5 -32.7 -3.7 94 167 A L H >> S+ 0 0 1 44,-2.7 4,-1.7 41,-0.9 3,-0.8 0.888 110.2 64.9 -53.9 -40.4 20.6 -35.8 -4.3 95 168 A L H 3> S+ 0 0 61 40,-1.4 4,-2.6 1,-0.3 3,-0.2 0.897 93.2 58.5 -48.5 -48.8 17.5 -36.8 -6.4 96 169 A K H 3> S+ 0 0 81 -3,-0.5 4,-2.5 1,-0.2 -1,-0.3 0.867 107.4 47.6 -52.2 -39.3 18.3 -33.9 -8.8 97 170 A Y H - 0 0 32 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.194 40.1 -94.0 -73.0 176.6 30.3 -44.1 -11.0 106 179 A E H > S+ 0 0 22 205,-0.4 4,-2.4 1,-0.2 5,-0.2 0.894 123.6 52.7 -63.6 -41.9 31.9 -46.2 -8.4 107 180 A T H > S+ 0 0 6 204,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.940 115.2 40.5 -57.3 -50.8 34.0 -43.4 -6.9 108 181 A C H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.891 114.9 51.1 -65.8 -45.2 31.0 -41.1 -6.5 109 182 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.910 112.9 47.7 -57.5 -43.0 28.7 -43.9 -5.2 110 183 A R H X S+ 0 0 29 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.918 112.5 47.6 -68.4 -44.1 31.3 -44.9 -2.7 111 184 A F H X S+ 0 0 18 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.977 116.7 40.8 -61.7 -58.4 31.9 -41.4 -1.4 112 185 A Y H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.845 113.3 53.8 -61.7 -36.0 28.2 -40.4 -1.0 113 186 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.948 108.0 52.2 -62.0 -42.6 27.3 -43.7 0.4 114 187 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.901 108.2 49.4 -61.8 -41.3 30.0 -43.3 3.0 115 188 A E H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.913 111.6 49.8 -64.4 -38.9 28.7 -39.9 4.0 116 189 A I H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.903 111.2 49.0 -64.3 -41.2 25.2 -41.3 4.4 117 190 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.934 111.3 49.5 -61.1 -47.8 26.6 -44.2 6.5 118 191 A S H X S+ 0 0 21 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.878 112.2 48.5 -59.8 -39.3 28.4 -41.7 8.7 119 192 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.940 111.0 49.2 -67.8 -46.5 25.3 -39.6 9.1 120 193 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.860 107.2 56.4 -61.4 -36.2 23.1 -42.6 10.0 121 194 A E H X S+ 0 0 68 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.942 110.2 45.0 -60.0 -46.4 25.7 -43.7 12.6 122 195 A Y H X S+ 0 0 57 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.944 115.2 47.3 -59.2 -48.9 25.4 -40.3 14.2 123 196 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.0 1,-0.2 3,-0.7 0.936 113.3 46.4 -62.7 -48.1 21.6 -40.3 14.0 124 197 A H H ><5S+ 0 0 9 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.853 106.2 59.1 -65.2 -36.9 21.2 -43.8 15.4 125 198 A G H 3<5S+ 0 0 71 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.781 104.4 52.7 -60.2 -27.4 23.7 -43.1 18.2 126 199 A K T <<5S- 0 0 78 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.410 121.2-110.7 -87.7 3.6 21.3 -40.4 19.2 127 200 A G T < 5S+ 0 0 12 -3,-1.7 30,-2.6 1,-0.2 2,-0.5 0.795 74.2 136.1 72.1 28.9 18.4 -42.8 19.3 128 201 A I E < -H 156 0C 0 -5,-2.0 2,-0.5 28,-0.2 -1,-0.2 -0.938 39.8-160.3-113.2 129.1 16.7 -41.2 16.3 129 202 A I E -H 155 0C 0 26,-3.1 26,-2.3 -2,-0.5 51,-0.1 -0.915 7.4-155.3-104.8 123.8 15.2 -43.2 13.4 130 203 A H - 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O 0 426E 0 -48,-2.5 -49,-1.8 -51,-0.3 -48,-0.3 -0.989 17.1-149.1-124.0 125.6 36.9 -26.6 -20.0 421 214 B N > - 0 0 7 4,-2.7 3,-1.7 -2,-0.4 -52,-0.1 -0.114 39.8 -83.7 -83.6-172.7 35.3 -29.8 -18.7 422 215 B E T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -53,-0.1 0.835 131.7 49.7 -60.2 -35.3 33.1 -32.2 -20.6 423 216 B D T 3 S- 0 0 81 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.366 117.8-114.0 -85.2 0.4 30.0 -30.1 -19.9 424 217 B M S < S+ 0 0 40 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.635 73.0 133.0 68.2 19.3 31.9 -27.0 -21.1 425 218 B H - 0 0 12 1,-0.1 -4,-2.7 126,-0.1 -1,-0.3 -0.644 61.2-101.7 -86.9 156.5 32.0 -25.2 -17.8 426 219 B I E - O 0 420E 0 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.417 29.5-171.1 -80.6 155.1 35.4 -23.8 -16.8 427 220 B Q E - O 0 419E 2 -8,-2.2 -8,-2.1 -2,-0.1 -78,-0.3 -0.845 16.1-148.8-143.9 106.3 37.8 -25.3 -14.3 428 221 B I E +mO 349 418E 1 -80,-2.7 -78,-2.9 -2,-0.3 -10,-0.2 -0.507 26.5 162.7 -78.8 142.8 40.7 -23.0 -13.4 429 222 B T + 0 0 21 -12,-2.4 -12,-0.1 -2,-0.2 -1,-0.0 -0.642 30.0 89.3-139.4-168.7 44.1 -24.6 -12.6 430 223 B D + 0 0 39 -2,-0.2 3,-0.2 1,-0.1 -18,-0.1 0.995 39.5 157.7 74.1 69.9 47.8 -23.8 -12.3 431 224 B F > + 0 0 0 1,-0.2 3,-1.4 2,-0.1 -91,-0.1 0.346 42.0 96.4-111.2 3.0 48.2 -22.8 -8.6 432 225 B G T 3 S+ 0 0 12 1,-0.3 -95,-0.2 -95,-0.1 -96,-0.2 0.778 92.3 46.4 -63.4 -24.8 51.9 -23.3 -7.8 433 226 B T T 3 S+ 0 0 32 -3,-0.2 -1,-0.3 -23,-0.1 -2,-0.1 0.311 89.9 118.0 -99.4 6.8 52.5 -19.7 -8.6 434 227 B A < - 0 0 1 -3,-1.4 2,-0.5 -101,-0.1 -24,-0.2 -0.267 59.4-131.3 -70.1 158.5 49.6 -18.4 -6.5 435 228 B K E -P 409 0F 47 -26,-2.6 -26,-2.9 25,-0.0 2,-0.5 -0.960 13.7-156.6-115.1 129.2 49.9 -16.1 -3.5 436 229 B V E -P 408 0F 12 -2,-0.5 2,-0.6 -28,-0.2 -28,-0.2 -0.895 17.6-129.8-103.3 130.3 48.2 -16.9 -0.2 437 230 B L 0 0 92 -30,-2.6 -2,-0.0 -2,-0.5 0, 0.0 -0.694 360.0 360.0 -80.3 120.7 47.5 -14.1 2.3 438 231 B S 0 0 162 -2,-0.6 -1,-0.1 0, 0.0 -31,-0.0 0.158 360.0 360.0-116.3 360.0 48.8 -15.1 5.7 439 ! 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 0.0 440 240 B N 0 0 91 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.9 59.1 -11.6 -4.4 441 241 B X + 0 0 196 2,-0.0 17,-0.1 17,-0.0 16,-0.1 0.514 360.0 125.2-101.1 -6.8 60.6 -12.1 -7.9 442 242 B F - 0 0 48 15,-0.1 2,-0.4 1,-0.0 15,-0.0 -0.297 32.2-180.0 -65.1 134.8 57.7 -13.8 -9.6 443 243 B V - 0 0 63 6,-0.0 3,-0.1 -31,-0.0 -31,-0.1 -0.973 18.8-143.9-131.4 115.0 56.3 -12.2 -12.8 444 244 B G - 0 0 9 -2,-0.4 5,-0.1 -33,-0.3 -32,-0.1 0.188 53.3 -40.2 -62.7-167.6 53.4 -14.0 -14.4 445 245 B T >> - 0 0 40 1,-0.1 3,-1.7 3,-0.1 4,-1.1 -0.379 60.1-127.5 -63.7 131.4 52.8 -14.4 -18.1 446 246 B A T 34 S+ 0 0 13 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.813 103.2 59.3 -56.5 -40.0 53.8 -11.1 -19.8 447 247 B Q T 34 S+ 0 0 51 1,-0.2 35,-0.4 34,-0.0 -1,-0.3 0.812 119.9 27.3 -54.6 -33.0 50.5 -10.6 -21.7 448 248 B Y T <4 S+ 0 0 22 -3,-1.7 -1,-0.2 33,-0.1 -2,-0.2 0.376 87.5 123.2-118.1 0.1 48.4 -10.7 -18.5 449 249 B V < - 0 0 7 -4,-1.1 -37,-0.1 -3,-0.5 -6,-0.0 -0.384 58.6-122.4 -69.7 144.5 50.8 -9.4 -15.7 450 250 B S > - 0 0 3 -39,-0.1 4,-1.7 1,-0.1 3,-0.1 -0.448 14.1-120.0 -86.6 157.6 49.6 -6.4 -13.7 451 251 B P H > S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.869 111.5 56.9 -65.6 -33.9 51.5 -3.1 -13.5 452 252 B E H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 6,-1.1 0.855 104.9 51.0 -67.5 -34.2 51.8 -3.4 -9.7 453 253 B L H > S+ 0 0 7 4,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.942 114.9 44.5 -65.2 -44.5 53.6 -6.8 -9.9 454 254 B L H < S+ 0 0 40 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.954 126.8 27.0 -61.4 -53.0 56.1 -5.3 -12.4 455 255 B T H < S+ 0 0 83 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.756 133.7 30.8 -89.2 -24.8 56.8 -2.0 -10.6 456 256 B E H < S- 0 0 126 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.490 94.1-128.9-112.9 -9.2 56.1 -2.9 -6.9 457 257 B K S < S+ 0 0 144 -4,-1.2 2,-0.3 -5,-0.4 -4,-0.2 0.753 77.8 92.1 63.8 24.3 57.1 -6.6 -6.9 458 258 B S - 0 0 62 -6,-1.1 2,-0.2 -17,-0.1 -2,-0.2 -0.943 57.7-155.1-152.7 131.5 53.8 -7.6 -5.3 459 259 B A - 0 0 3 -2,-0.3 2,-0.3 -6,-0.1 -50,-0.1 -0.521 9.4-166.4 -90.0 164.4 50.4 -8.6 -6.6 460 260 B C >> - 0 0 46 -2,-0.2 3,-2.3 61,-0.0 4,-0.6 -0.853 46.8 -86.0-136.4 175.0 47.1 -8.3 -4.8 461 261 B K H >> S+ 0 0 33 1,-0.3 3,-1.9 -2,-0.3 4,-0.6 0.888 127.4 63.2 -47.9 -43.2 43.7 -9.8 -5.5 462 262 B S H 3> S+ 0 0 6 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.700 86.2 71.5 -56.6 -25.9 43.1 -6.9 -7.9 463 263 B S H <> S+ 0 0 9 -3,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.838 95.5 53.8 -59.9 -31.8 46.0 -8.1 -10.1 464 264 B D H S- 0 0 82 1,-0.1 4,-2.1 -3,-0.0 5,-0.2 -0.966 80.4 -97.1-148.6 170.6 59.3 -8.8 -26.8 487 287 B E H > S+ 0 0 118 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.874 120.7 52.9 -58.3 -39.5 58.7 -9.1 -23.2 488 288 B Y H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 110.6 48.0 -61.2 -42.9 60.4 -5.8 -22.4 489 289 B L H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.843 110.4 51.2 -69.7 -35.0 58.3 -4.0 -25.0 490 290 B I H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.925 108.1 52.4 -65.7 -45.6 55.1 -5.5 -23.6 491 291 B F H X S+ 0 0 37 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.898 105.7 55.6 -55.1 -44.7 55.9 -4.4 -20.1 492 292 B Q H X S+ 0 0 63 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.923 109.0 46.1 -55.6 -47.4 56.5 -0.9 -21.4 493 293 B K H <>S+ 0 0 61 -4,-1.6 5,-2.7 2,-0.2 4,-0.4 0.919 110.8 53.9 -61.9 -45.2 52.9 -0.8 -22.9 494 294 B I H ><5S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.951 109.9 45.2 -52.3 -54.3 51.5 -2.3 -19.7 495 295 B I H 3<5S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.773 118.1 44.3 -69.4 -22.4 53.0 0.4 -17.4 496 296 B K T 3<5S- 0 0 121 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.351 106.8-126.1 -95.3 2.4 51.9 3.2 -19.8 497 297 B L T < 5 + 0 0 61 -3,-1.6 2,-0.8 -4,-0.4 -3,-0.2 0.919 49.7 167.6 47.3 48.6 48.4 1.7 -20.3 498 298 B E < + 0 0 92 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.830 17.3 112.9 -99.6 103.9 49.1 1.7 -24.1 499 299 B Y - 0 0 39 -2,-0.8 2,-0.3 -3,-0.1 -17,-0.1 -0.967 45.1-142.0-160.8 162.8 46.6 -0.3 -26.0 500 300 B D - 0 0 130 -19,-0.4 -2,-0.0 -2,-0.3 0, 0.0 -0.864 15.4-123.6-128.5 161.3 43.7 0.2 -28.5 501 301 B F - 0 0 28 -2,-0.3 2,-0.1 4,-0.0 -2,-0.0 -0.894 27.4-129.1-103.7 134.0 40.3 -1.3 -29.1 502 302 B P > - 0 0 41 0, 0.0 3,-1.3 0, 0.0 -25,-0.0 -0.336 28.0-105.1 -74.7 167.5 39.5 -2.8 -32.5 503 303 B E T 3 S+ 0 0 188 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.719 114.6 60.6 -68.2 -22.7 36.4 -1.8 -34.4 504 304 B K T 3 S+ 0 0 83 -27,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.390 75.0 128.8 -86.8 9.6 34.5 -5.0 -33.7 505 305 B F < - 0 0 10 -3,-1.3 5,-0.1 1,-0.1 -28,-0.0 -0.495 65.5-116.8 -77.8 120.5 34.6 -4.5 -30.0 506 306 B F > - 0 0 40 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.257 22.8-129.9 -52.6 127.1 31.2 -4.8 -28.2 507 307 B P H > S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.843 105.6 46.9 -52.9 -41.4 30.4 -1.4 -26.6 508 308 B K H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 33,-0.3 0.872 112.4 49.9 -71.2 -34.7 29.6 -2.8 -23.1 509 309 B A H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.871 107.5 56.3 -68.7 -35.6 32.7 -5.0 -23.1 510 310 B R H X S+ 0 0 99 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.961 109.7 43.9 -57.5 -52.1 34.7 -1.9 -24.1 511 311 B D H X S+ 0 0 55 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.923 113.3 51.9 -59.8 -44.4 33.5 -0.0 -21.1 512 312 B L H >X S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.7 0.935 109.2 48.7 -58.8 -51.4 34.1 -3.1 -18.8 513 313 B V H >X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 3,-1.2 0.914 108.2 55.2 -53.3 -45.3 37.7 -3.6 -20.0 514 314 B E H 3< S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 107.8 49.9 -61.7 -25.3 38.4 0.1 -19.4 515 315 B K H << S+ 0 0 78 -4,-1.2 10,-2.4 -3,-0.7 -1,-0.3 0.549 116.3 41.5 -89.5 -9.9 37.2 -0.3 -15.8 516 316 B L H << S+ 0 0 0 -3,-1.2 2,-1.7 -4,-0.7 -2,-0.2 0.764 103.6 65.0-100.5 -40.7 39.4 -3.3 -15.3 517 317 B L S < S+ 0 0 2 -4,-3.4 2,-0.4 -5,-0.2 -1,-0.2 -0.566 71.0 136.8 -85.9 77.8 42.6 -2.1 -17.0 518 318 B V - 0 0 41 -2,-1.7 5,-0.1 -3,-0.2 6,-0.1 -0.986 55.3-136.9-127.6 129.3 43.3 0.8 -14.6 519 319 B L S S+ 0 0 76 -2,-0.4 2,-0.7 4,-0.1 -67,-0.2 0.903 89.2 74.6 -57.8 -45.1 46.8 1.3 -13.4 520 320 B D S > S- 0 0 81 1,-0.2 3,-2.0 3,-0.1 -2,-0.1 -0.599 73.9-152.8 -72.9 111.9 45.9 2.0 -9.8 521 321 B A G > S+ 0 0 15 -2,-0.7 3,-0.5 1,-0.3 8,-0.2 0.623 91.2 60.9 -64.2 -14.3 45.0 -1.5 -8.4 522 322 B T G 3 S+ 0 0 44 1,-0.2 -1,-0.3 7,-0.1 -2,-0.1 0.358 100.1 56.6 -91.6 4.9 42.6 0.0 -5.8 523 323 B K G < S+ 0 0 56 -3,-2.0 2,-0.4 -5,-0.1 -1,-0.2 0.162 75.1 118.3-122.6 16.8 40.4 1.5 -8.5 524 324 B R S X S- 0 0 0 -3,-0.5 3,-2.5 -6,-0.1 6,-0.3 -0.704 74.7-103.6 -85.5 137.9 39.5 -1.5 -10.6 525 325 B L T 3 S+ 0 0 9 -10,-2.4 3,-0.1 -2,-0.4 8,-0.1 -0.355 110.0 23.9 -55.4 125.5 35.8 -2.5 -10.8 526 326 B G T 3 S+ 0 0 2 6,-0.4 -1,-0.3 1,-0.3 8,-0.1 0.180 92.6 125.4 100.7 -17.7 35.3 -5.5 -8.5 527 327 B C S X >S- 0 0 5 -3,-2.5 5,-2.8 5,-0.1 3,-0.9 -0.286 73.4-109.5 -75.3 163.7 38.3 -4.8 -6.2 528 328 B E G > 5S+ 0 0 116 1,-0.3 3,-1.7 3,-0.2 -1,-0.1 0.883 117.7 53.6 -60.3 -41.5 37.8 -4.5 -2.4 529 329 B E G 3 5S+ 0 0 76 1,-0.3 -1,-0.3 -8,-0.2 -7,-0.1 0.667 106.9 53.3 -70.7 -16.2 38.5 -0.7 -2.3 530 330 B M G < 5S- 0 0 22 -3,-0.9 -1,-0.3 -6,-0.3 -4,-0.3 0.096 132.7 -93.2-100.8 18.5 35.8 -0.3 -5.0 531 331 B E T < 5 - 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0 0 40 1,-0.1 3,-1.7 3,-0.1 4,-1.1 -0.378 60.6-127.0 -63.7 131.2 52.8 -72.4 -18.2 1006 246 D A T 34 S+ 0 0 9 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.812 103.6 59.3 -55.3 -40.4 53.8 -69.1 -19.8 1007 247 D Q T 34 S+ 0 0 53 1,-0.2 35,-0.4 34,-0.0 -1,-0.3 0.812 119.7 27.3 -54.4 -33.5 50.5 -68.6 -21.7 1008 248 D Y T <4 S+ 0 0 23 -3,-1.7 -1,-0.2 33,-0.1 -2,-0.2 0.377 87.7 122.9-117.7 0.1 48.4 -68.7 -18.5 1009 249 D V < - 0 0 8 -4,-1.1 -37,-0.1 -3,-0.5 -6,-0.0 -0.382 58.3-123.1 -69.9 144.7 50.8 -67.5 -15.7 1010 250 D S > - 0 0 4 -39,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.452 14.0-119.5 -87.3 158.9 49.6 -64.4 -13.8 1011 251 D P H > S+ 0 0 8 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.868 111.9 58.0 -64.5 -36.3 51.5 -61.1 -13.4 1012 252 D E H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 6,-1.0 0.870 105.7 49.5 -58.7 -43.3 51.8 -61.5 -9.6 1013 253 D L H > S+ 0 0 9 4,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.938 115.1 44.3 -63.1 -46.3 53.6 -64.8 -9.9 1014 254 D L H < S+ 0 0 40 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.951 126.6 27.4 -60.9 -52.9 56.0 -63.4 -12.4 1015 255 D T H < S+ 0 0 80 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.755 133.7 30.0 -90.0 -24.3 56.8 -60.1 -10.6 1016 256 D E H < S- 0 0 120 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.476 92.7-129.4-114.4 -7.5 56.2 -61.0 -6.9 1017 257 D K S < S+ 0 0 140 -4,-1.2 2,-0.3 -5,-0.5 -4,-0.2 0.769 78.0 98.8 63.1 27.0 57.1 -64.7 -7.0 1018 258 D S - 0 0 59 -6,-1.0 2,-0.2 -17,-0.1 -2,-0.2 -0.955 55.0-160.5-150.7 122.9 53.8 -65.5 -5.3 1019 259 D A - 0 0 4 -2,-0.3 2,-0.3 -6,-0.1 -50,-0.1 -0.570 8.5-169.0 -92.0 164.4 50.4 -66.7 -6.6 1020 260 D C >> - 0 0 45 -2,-0.2 3,-2.2 1,-0.0 4,-0.6 -0.862 47.0 -85.8-138.7 174.8 47.1 -66.4 -4.8 1021 261 D K H >> S+ 0 0 32 1,-0.3 3,-1.9 -2,-0.3 4,-0.6 0.890 127.2 63.0 -48.3 -43.4 43.7 -67.9 -5.5 1022 262 D S H 3> S+ 0 0 5 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.701 86.6 71.5 -56.1 -26.1 43.1 -65.0 -7.9 1023 263 D S H <> S+ 0 0 9 -3,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.837 95.4 53.7 -59.7 -32.0 46.0 -66.2 -10.1 1024 264 D D H S- 0 0 84 1,-0.1 4,-2.2 -3,-0.0 5,-0.2 -0.954 81.2 -94.4-147.9 172.8 59.4 -66.9 -26.8 1047 287 D E H > S+ 0 0 115 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.874 121.3 52.7 -54.3 -43.1 58.7 -67.2 -23.1 1048 288 D Y H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 110.4 47.7 -59.9 -44.7 60.4 -63.8 -22.4 1049 289 D L H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.852 110.7 51.1 -68.5 -35.1 58.3 -62.0 -25.0 1050 290 D I H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.923 108.1 52.6 -65.7 -44.9 55.1 -63.6 -23.6 1051 291 D F H X S+ 0 0 42 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.898 105.6 55.3 -55.4 -44.8 56.0 -62.5 -20.1 1052 292 D Q H X S+ 0 0 67 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.922 108.9 46.5 -56.1 -47.3 56.5 -58.9 -21.4 1053 293 D K H <>S+ 0 0 57 -4,-1.6 5,-2.6 2,-0.2 4,-0.4 0.925 111.3 52.5 -61.0 -46.0 52.9 -58.9 -22.9 1054 294 D I H ><5S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.948 109.9 47.7 -52.3 -53.5 51.5 -60.3 -19.7 1055 295 D I H 3<5S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.797 117.9 41.8 -61.7 -31.6 53.1 -57.6 -17.5 1056 296 D K T 3<5S- 0 0 115 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.324 106.7-124.8 -95.7 4.0 51.9 -54.9 -19.8 1057 297 D L T < 5 + 0 0 60 -3,-1.6 2,-0.8 -4,-0.4 -3,-0.2 0.919 50.4 167.8 46.9 48.4 48.4 -56.4 -20.3 1058 298 D E < + 0 0 87 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.825 17.4 113.5 -99.0 103.8 49.1 -56.3 -24.1 1059 299 D Y - 0 0 38 -2,-0.8 2,-0.3 -3,-0.1 -17,-0.1 -0.969 44.9-142.2-160.2 163.3 46.6 -58.4 -26.0 1060 300 D D - 0 0 132 -19,-0.4 -2,-0.0 -2,-0.3 0, 0.0 -0.863 15.2-123.8-128.7 161.3 43.7 -57.9 -28.5 1061 301 D F - 0 0 30 -2,-0.3 2,-0.1 4,-0.0 -2,-0.0 -0.901 27.1-129.7-104.2 134.0 40.3 -59.4 -29.1 1062 302 D P > - 0 0 34 0, 0.0 3,-1.4 0, 0.0 -25,-0.0 -0.339 27.6-106.1 -74.5 166.8 39.5 -60.9 -32.5 1063 303 D E T 3 S+ 0 0 188 1,-0.3 -26,-0.0 -2,-0.1 -2,-0.0 0.707 114.7 64.1 -67.7 -21.0 36.4 -59.9 -34.4 1064 304 D K T 3 S+ 0 0 105 -27,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.515 74.6 126.9 -77.0 -5.3 34.6 -63.2 -33.7 1065 305 D F < - 0 0 10 -3,-1.4 5,-0.1 1,-0.1 -28,-0.1 -0.393 65.3-119.9 -74.6 119.8 34.6 -62.6 -30.0 1066 306 D F > - 0 0 41 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.260 22.3-130.1 -52.7 126.4 31.2 -62.8 -28.2 1067 307 D P H > S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.839 105.6 47.3 -52.1 -41.9 30.4 -59.4 -26.6 1068 308 D K H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 33,-0.3 0.871 112.4 49.7 -70.7 -34.9 29.6 -60.8 -23.1 1069 309 D A H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.870 107.2 56.5 -68.9 -35.6 32.7 -63.0 -23.1 1070 310 D R H X S+ 0 0 95 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.960 109.8 44.1 -56.9 -51.5 34.7 -60.0 -24.1 1071 311 D D H X S+ 0 0 55 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.919 113.2 51.6 -60.6 -44.2 33.5 -58.1 -21.1 1072 312 D L H >X S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.7 0.937 109.5 48.5 -59.3 -52.0 34.1 -61.1 -18.8 1073 313 D V H >X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 3,-1.2 0.915 108.2 55.2 -52.4 -45.7 37.7 -61.6 -20.0 1074 314 D E H 3< S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.762 107.9 49.9 -61.6 -25.1 38.4 -57.9 -19.4 1075 315 D K H << S+ 0 0 80 -4,-1.1 10,-2.4 -3,-0.8 -1,-0.3 0.548 116.3 41.5 -89.6 -10.4 37.2 -58.3 -15.8 1076 316 D L H << S+ 0 0 0 -3,-1.2 2,-1.7 -4,-0.7 -2,-0.2 0.764 103.5 65.0-100.4 -40.7 39.4 -61.4 -15.3 1077 317 D L S < S+ 0 0 2 -4,-3.4 2,-0.4 -5,-0.2 -1,-0.2 -0.566 71.1 137.2 -86.1 77.7 42.6 -60.2 -17.0 1078 318 D V - 0 0 34 -2,-1.7 5,-0.1 -3,-0.2 6,-0.1 -0.986 55.2-136.8-127.6 129.3 43.3 -57.3 -14.6 1079 319 D L S S+ 0 0 60 -2,-0.4 2,-0.7 4,-0.1 -67,-0.2 0.902 89.3 74.1 -56.7 -46.3 46.8 -56.7 -13.4 1080 320 D D S > S- 0 0 51 1,-0.2 3,-2.0 -793,-0.1 -2,-0.1 -0.599 73.9-152.6 -73.3 112.3 45.9 -56.1 -9.8 1081 321 D A T 3 S+ 0 0 14 -2,-0.7 3,-0.5 1,-0.3 8,-0.2 0.617 91.3 61.1 -64.4 -14.5 45.0 -59.5 -8.4 1082 322 D T T 3 S+ 0 0 43 1,-0.2 -1,-0.3 7,-0.1 -2,-0.1 0.360 100.1 56.4 -91.0 4.4 42.6 -58.0 -5.8 1083 323 D K S < S+ 0 0 23 -3,-2.0 2,-0.4 -5,-0.1 -1,-0.2 0.162 75.1 118.5-122.7 16.9 40.4 -56.5 -8.5 1084 324 D R S > S- 0 0 0 -3,-0.5 3,-2.5 -6,-0.1 6,-0.3 -0.701 74.6-103.6 -85.5 137.8 39.5 -59.6 -10.6 1085 325 D L T 3 S+ 0 0 8 -10,-2.4 3,-0.1 -2,-0.4 -1,-0.1 -0.358 110.0 23.9 -55.8 125.5 35.8 -60.6 -10.8 1086 326 D G T 3 S+ 0 0 2 6,-0.4 -1,-0.3 1,-0.3 8,-0.1 0.186 92.5 125.5 100.7 -17.2 35.3 -63.5 -8.5 1087 327 D C S X >S- 0 0 5 -3,-2.5 5,-2.8 5,-0.1 3,-0.9 -0.292 73.3-109.6 -75.6 163.5 38.2 -62.8 -6.2 1088 328 D E G > 5S+ 0 0 117 1,-0.2 3,-1.8 3,-0.2 -1,-0.1 0.889 117.8 53.7 -59.6 -42.5 37.8 -62.5 -2.4 1089 329 D E G 3 5S+ 0 0 76 1,-0.3 -1,-0.2 -8,-0.2 -7,-0.1 0.666 106.9 53.2 -69.4 -16.1 38.5 -58.8 -2.3 1090 330 D M G < 5S- 0 0 21 -3,-0.9 -1,-0.3 -6,-0.3 -4,-0.3 0.103 132.7 -93.2-101.3 18.1 35.8 -58.3 -5.0 1091 331 D E T < 5 - 0 0 41 -3,-1.8 3,-0.4 -6,-0.1 -3,-0.2 0.694 64.4-101.3 74.5 24.1 33.3 -60.3 -2.7 1092 332 D G >< - 0 0 16 -5,-2.8 4,-0.6 1,-0.2 -6,-0.4 -0.194 66.8 -21.6 83.9-158.6 33.9 -63.7 -4.2 1093 333 D Y H > S+ 0 0 25 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.716 110.7 78.6 -73.9 -26.6 32.1 -66.1 -6.6 1094 334 D G H > S+ 0 0 48 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.934 98.4 40.4 -46.2 -62.7 28.6 -64.6 -6.3 1095 335 D P H 4 S+ 0 0 10 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.782 115.2 54.5 -62.1 -28.6 29.1 -61.6 -8.6 1096 336 D L H >< S+ 0 0 0 -4,-0.6 3,-1.5 1,-0.2 -2,-0.2 0.949 108.9 46.1 -69.0 -49.7 31.2 -63.8 -11.0 1097 337 D K H 3< S+ 0 0 56 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.2 0.746 107.9 60.7 -62.3 -23.8 28.4 -66.4 -11.3 1098 338 D A T 3< S+ 0 0 41 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.569 74.6 119.8 -82.0 -8.9 26.0 -63.4 -11.9 1099 339 D H S X S- 0 0 11 -3,-1.5 3,-2.3 -4,-0.4 -877,-0.0 -0.294 73.5-124.0 -56.7 137.9 27.8 -62.2 -15.0 1100 340 D P G > S+ 0 0 24 0, 0.0 3,-2.3 0, 0.0 4,-0.2 0.659 105.3 78.4 -64.4 -17.4 25.4 -62.3 -18.0 1101 341 D F G 3 S+ 0 0 0 1,-0.3 3,-0.2 -33,-0.3 -32,-0.1 0.790 99.2 46.0 -53.9 -27.1 27.8 -64.4 -19.9 1102 342 D F G X S+ 0 0 6 -3,-2.3 3,-2.5 1,-0.2 -1,-0.3 0.142 80.3 133.4-100.4 20.2 26.3 -67.1 -17.7 1103 343 D E T < S+ 0 0 135 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.818 75.7 29.6 -43.8 -56.3 22.8 -65.9 -18.3 1104 344 D S T 3 S+ 0 0 74 -3,-0.2 2,-0.4 -4,-0.2 -1,-0.3 0.144 92.4 124.5 -98.1 26.0 21.0 -69.2 -19.0 1105 345 D V < - 0 0 24 -3,-2.5 2,-0.8 -155,-0.0 -3,-0.1 -0.675 52.0-149.7 -84.4 132.5 23.3 -71.3 -16.8 1106 346 D T - 0 0 84 -2,-0.4 3,-0.1 1,-0.2 7,-0.1 -0.892 16.5-178.0 -97.6 106.4 21.7 -73.4 -14.1 1107 347 D W > + 0 0 53 -2,-0.8 3,-1.5 1,-0.2 -1,-0.2 0.863 57.8 85.9 -73.0 -34.2 24.5 -73.5 -11.5 1108 348 D E T 3 S+ 0 0 168 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.794 110.8 1.9 -46.3 -60.3 22.7 -75.8 -8.9 1109 349 D N T > S+ 0 0 77 1,-0.1 3,-2.5 -3,-0.1 4,-0.5 -0.297 75.0 154.9-127.0 56.6 23.6 -79.2 -10.2 1110 350 D L G X + 0 0 4 -3,-1.5 3,-1.5 1,-0.3 -1,-0.1 0.803 69.3 63.5 -46.6 -41.3 25.8 -78.6 -13.2 1111 351 D H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 -3,-0.2 -126,-0.1 0.686 103.5 49.1 -67.2 -14.3 27.6 -81.9 -12.9 1112 352 D Q G < S+ 0 0 147 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.517 90.7 97.6-101.0 -8.2 24.3 -83.7 -13.6 1113 353 D Q S < S- 0 0 60 -3,-1.5 -3,-0.0 -4,-0.5 0, 0.0 -0.463 83.3-107.1 -80.1 151.8 23.3 -81.7 -16.7 1114 354 D T - 0 0 130 -2,-0.1 -130,-0.1 1,-0.1 -1,-0.1 -0.706 37.4-123.4 -83.3 124.1 24.0 -83.1 -20.1 1115 355 D P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -167,-0.1 -0.324 26.8-105.1 -64.3 143.7 26.8 -81.1 -21.8 1116 356 D P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 3,-0.0 -0.481 45.2 -99.2 -67.3 140.9 26.2 -79.4 -25.1 1117 357 D K - 0 0 177 -2,-0.1 2,-0.6 1,-0.1 -169,-0.1 -0.394 42.4-106.4 -62.2 135.7 27.8 -81.3 -28.0 1118 358 D L 0 0 27 -2,-0.1 -1,-0.1 1,-0.1 -174,-0.0 -0.534 360.0 360.0 -70.7 113.7 31.1 -79.7 -29.0 1119 359 D T 0 0 103 -2,-0.6 -174,-0.2 -3,-0.0 -171,-0.1 -0.730 360.0 360.0-134.9 360.0 30.7 -77.9 -32.3