==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PENICILLIN-BINDING PROTEIN 28-OCT-11 3UDF . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR S.HAN . 1195 8 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 766 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 185 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 2 0.2 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 . 52 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 4 0 2 0 3 6 4 3 4 0 0 2 1 3 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 1 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 0 PARALLEL BRIDGES PER LADDER . 10 6 2 14 2 3 3 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 . 5 0 0 2 3 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 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 27 A K 0 0 171 0, 0.0 17,-0.1 0, 0.0 474,-0.1 0.000 360.0 360.0 360.0 82.9 91.3 80.6 -15.1 2 28 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.290 360.0 -91.2 -75.6 165.4 91.3 83.1 -12.2 3 29 A L E -A 16 0A 0 13,-2.1 13,-2.6 173,-0.3 2,-0.4 -0.614 52.5-153.1 -69.3 128.6 88.8 86.0 -11.6 4 30 A Q E -Ab 15 181A 20 176,-2.3 178,-3.1 -2,-0.3 2,-0.5 -0.909 11.6-154.1-114.9 145.3 90.4 88.9 -13.4 5 31 A V E -Ab 14 182A 0 9,-2.5 8,-3.0 -2,-0.4 9,-1.5 -0.980 15.3-175.1-120.7 126.9 90.1 92.7 -12.7 6 32 A Y E -Ab 12 183A 28 176,-2.7 178,-2.7 -2,-0.5 180,-0.3 -0.909 19.8-129.8-121.4 149.2 90.6 95.2 -15.4 7 33 A T > - 0 0 1 4,-2.1 3,-2.2 -2,-0.3 180,-0.2 -0.332 44.2 -90.9 -85.2 173.0 90.6 99.0 -15.5 8 34 A A T 3 S+ 0 0 55 178,-3.3 179,-0.1 1,-0.3 -1,-0.1 0.731 128.0 59.5 -59.7 -24.1 88.5 101.1 -17.9 9 35 A D T 3 S- 0 0 80 177,-0.3 -1,-0.3 2,-0.1 178,-0.1 0.260 120.6-110.7 -85.5 8.8 91.5 101.1 -20.5 10 36 A N < + 0 0 80 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.616 68.9 147.6 69.3 19.7 91.2 97.2 -20.4 11 37 A Q - 0 0 121 1,-0.1 -4,-2.1 2,-0.0 2,-0.4 -0.702 52.4-116.3 -87.9 133.8 94.6 96.8 -18.6 12 38 A L E +A 6 0A 69 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.545 42.1 162.6 -71.2 122.8 94.8 93.8 -16.2 13 39 A I E + 0 0 11 -8,-3.0 142,-0.7 -2,-0.4 143,-0.4 0.639 57.9 17.9-114.5 -22.4 95.3 94.9 -12.6 14 40 A A E -A 5 0A 3 -9,-1.5 -9,-2.5 139,-0.1 2,-0.4 -0.997 49.0-165.7-153.8 151.2 94.4 91.9 -10.4 15 41 A E E -AC 4 152A 48 137,-2.7 137,-3.1 -2,-0.3 2,-0.5 -0.996 7.1-162.5-138.7 129.9 94.0 88.2 -10.5 16 42 A Y E -AC 3 151A 4 -13,-2.6 -13,-2.1 -2,-0.4 2,-0.4 -0.961 12.7-147.4-118.2 109.2 92.3 86.1 -7.8 17 43 A G + 0 0 12 133,-2.5 160,-0.1 -2,-0.5 133,-0.1 -0.681 24.6 170.2 -77.6 125.4 93.0 82.3 -7.9 18 44 A G - 0 0 5 -2,-0.4 -1,-0.1 1,-0.4 156,-0.1 0.206 53.3 -3.1-103.3-135.6 90.1 80.2 -6.7 19 45 A K S S- 0 0 87 49,-0.1 2,-0.4 1,-0.0 -1,-0.4 -0.370 73.2-154.6 -58.7 133.2 89.6 76.4 -6.9 20 46 A L B +f 68 0B 33 47,-3.4 49,-2.5 -3,-0.1 2,-0.3 -0.970 23.3 167.7-121.5 136.1 92.6 74.8 -8.7 21 47 A S - 0 0 61 -2,-0.4 49,-0.2 47,-0.2 40,-0.1 -0.980 7.8-178.1-144.2 124.0 92.8 71.6 -10.7 22 48 A I - 0 0 69 47,-0.5 50,-0.4 -2,-0.3 51,-0.2 -0.908 23.8-147.4-120.1 90.7 95.8 70.8 -13.0 23 49 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.417 15.8-168.7 -66.7 141.3 94.9 67.3 -14.6 24 50 A V - 0 0 34 -2,-0.1 2,-0.2 5,-0.0 36,-0.1 -0.906 28.8-104.1-123.5 156.3 97.9 65.0 -15.3 25 51 A E > - 0 0 121 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.594 31.5-125.6 -76.4 139.7 98.1 61.8 -17.3 26 52 A Y G > S+ 0 0 71 1,-0.2 3,-1.8 -2,-0.2 -1,-0.1 0.869 109.1 58.2 -56.4 -39.9 98.3 58.8 -15.0 27 53 A K G 3 S+ 0 0 155 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.716 99.4 60.9 -62.8 -22.8 101.6 57.5 -16.7 28 54 A Q G < S+ 0 0 117 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.446 81.3 103.7 -82.3 -5.3 103.3 60.9 -15.8 29 55 A I S < S- 0 0 9 -3,-1.8 5,-0.1 -4,-0.2 55,-0.0 -0.694 80.7-115.6 -81.8 125.3 102.8 60.3 -12.0 30 56 A P >> - 0 0 24 0, 0.0 4,-1.5 0, 0.0 3,-1.5 -0.344 20.2-126.2 -58.7 136.4 106.0 59.3 -10.2 31 57 A P H 3> S+ 0 0 88 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.852 109.4 59.7 -51.8 -37.1 105.6 55.7 -8.7 32 58 A N H 3> S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.785 103.6 52.6 -62.6 -29.2 106.6 57.0 -5.2 33 59 A F H <> S+ 0 0 0 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.935 110.4 45.2 -71.4 -47.5 103.5 59.4 -5.3 34 60 A I H X S+ 0 0 12 -4,-1.5 4,-2.2 1,-0.2 3,-0.3 0.945 113.4 52.7 -58.1 -46.1 101.1 56.5 -6.2 35 61 A H H X S+ 0 0 43 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.831 102.8 57.6 -60.1 -34.9 102.9 54.4 -3.4 36 62 A A H X S+ 0 0 0 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.918 109.4 44.9 -62.6 -42.6 102.3 57.3 -0.9 37 63 A F H >< S+ 0 0 2 -4,-1.6 3,-0.8 -3,-0.3 4,-0.4 0.885 110.8 53.7 -67.5 -36.6 98.5 57.0 -1.6 38 64 A L H 3< S+ 0 0 1 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.842 112.7 44.6 -64.6 -32.9 98.7 53.2 -1.4 39 65 A A H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.513 88.7 92.7 -88.0 -4.6 100.3 53.6 2.0 40 66 A A S << S+ 0 0 4 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.730 88.4 39.4 -63.2 -29.5 97.8 56.3 3.2 41 67 A E S S- 0 0 16 -3,-0.4 3,-0.1 -4,-0.4 729,-0.0 -0.919 74.5-131.2-125.8 151.0 95.4 53.7 4.9 42 68 A D S S+ 0 0 62 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.782 92.7 25.4 -65.8 -33.4 96.0 50.5 6.9 43 69 A S - 0 0 19 5,-0.0 2,-0.4 897,-0.0 -1,-0.2 -0.995 57.3-170.6-141.2 141.1 93.5 48.5 4.9 44 70 A S + 0 0 23 -2,-0.3 6,-0.1 -3,-0.1 7,-0.1 -0.998 9.6 170.3-129.2 127.4 92.1 48.6 1.3 45 71 A F 0 0 12 -2,-0.4 1023,-1.2 3,-0.1 1024,-0.2 0.224 360.0 360.0-120.8 9.8 89.2 46.3 0.4 46 72 A F 0 0 0 1021,-0.3 4,-0.2 1022,-0.2 5,-0.1 -0.358 360.0 360.0 -59.8 360.0 88.3 47.6 -3.1 47 ! 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 48 134 A N > 0 0 51 0, 0.0 4,-1.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 19.6 97.1 47.6 -2.4 49 135 A L H > + 0 0 74 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.883 360.0 43.0 -49.5 -56.0 96.8 46.3 -6.0 50 136 A S H > S+ 0 0 27 1,-0.2 4,-1.8 -4,-0.2 3,-0.2 0.796 107.0 61.4 -67.2 -32.1 93.1 47.2 -6.7 51 137 A K H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.890 94.2 65.0 -61.3 -37.8 93.6 50.7 -5.1 52 138 A E H X S+ 0 0 68 -4,-1.4 4,-0.9 -3,-0.3 -1,-0.2 0.907 107.6 39.3 -51.8 -44.6 96.2 51.5 -7.7 53 139 A D H < S+ 0 0 63 -4,-0.7 4,-0.5 -3,-0.2 3,-0.4 0.873 115.7 48.9 -76.2 -39.3 93.5 51.3 -10.6 54 140 A I H >X S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 4,-0.5 0.895 103.0 65.0 -66.9 -35.3 90.7 53.0 -8.7 55 141 A L H >X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 3,-1.7 0.842 90.9 63.7 -52.6 -41.0 93.2 55.8 -7.8 56 142 A S H 3< S+ 0 0 51 -4,-0.9 4,-0.3 -3,-0.4 -1,-0.3 0.774 98.6 56.9 -55.1 -29.1 93.5 56.8 -11.5 57 143 A L H <4 S+ 0 0 27 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.697 121.6 23.6 -73.8 -22.5 89.8 57.7 -11.4 58 144 A Y H XX S+ 0 0 2 -3,-1.7 4,-2.3 -4,-0.5 3,-2.1 0.565 90.1 97.6-120.1 -14.7 90.2 60.2 -8.5 59 145 A V T 3< S+ 0 0 3 -4,-2.5 12,-2.1 1,-0.3 -3,-0.1 0.725 92.8 41.8 -52.4 -30.0 93.9 61.4 -8.6 60 146 A N T 34 S+ 0 0 37 -4,-0.3 -1,-0.3 10,-0.3 -38,-0.1 0.455 122.2 41.0 -94.2 -2.9 93.1 64.6 -10.5 61 147 A K T <4 S+ 0 0 102 -3,-2.1 -2,-0.2 -40,-0.1 -1,-0.1 0.634 75.8 121.4-119.4 -25.0 89.9 65.4 -8.5 62 148 A I < - 0 0 2 -4,-2.3 8,-3.0 7,-0.2 2,-0.4 -0.218 66.3-120.2 -50.4 130.4 90.6 64.6 -4.8 63 149 A F B +G 69 0C 57 708,-0.3 6,-0.2 6,-0.2 -1,-0.1 -0.607 34.7 176.6 -74.7 122.3 90.1 67.6 -2.5 64 150 A L - 0 0 0 4,-3.3 5,-0.1 -2,-0.4 -1,-0.1 0.157 44.0-100.8-117.9 20.4 93.4 68.3 -0.9 65 151 A G S > S+ 0 0 2 3,-0.4 3,-2.5 33,-0.1 -1,-0.3 0.008 96.9 59.6 82.4 165.1 92.7 71.5 1.1 66 152 A K T 3 S- 0 0 104 1,-0.3 3,-0.1 -3,-0.1 36,-0.0 0.840 132.1 -57.8 46.2 46.1 93.5 75.1 0.4 67 153 A N T 3 S+ 0 0 51 1,-0.2 -47,-3.4 -48,-0.1 2,-0.5 0.557 100.1 140.6 63.9 15.3 91.5 75.0 -2.9 68 154 A A B < -f 20 0B 0 -3,-2.5 -4,-3.3 -49,-0.2 2,-0.5 -0.796 27.2-179.0 -94.6 123.8 93.6 72.2 -4.4 69 155 A Y B +G 63 0C 32 -49,-2.5 -47,-0.5 -2,-0.5 4,-0.3 -0.982 60.0 6.8-123.3 109.8 91.7 69.5 -6.4 70 156 A G S > S- 0 0 0 -8,-3.0 4,-1.8 -2,-0.5 -10,-0.3 -0.004 93.3 -80.6 94.3 155.5 94.0 66.8 -7.6 71 157 A I H > S+ 0 0 1 -12,-2.1 4,-2.4 1,-0.2 5,-0.2 0.833 124.0 54.2 -63.3 -38.9 97.7 66.1 -6.9 72 158 A A H > S+ 0 0 8 -50,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.910 109.2 49.2 -67.2 -36.2 99.2 68.6 -9.4 73 159 A A H > S+ 0 0 0 -4,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.901 112.3 49.4 -65.1 -39.1 97.2 71.5 -7.8 74 160 A A H X>S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.5 0.904 108.5 52.0 -67.8 -38.6 98.3 70.3 -4.3 75 161 A A H X5S+ 0 0 0 -4,-2.4 6,-1.7 2,-0.2 4,-1.5 0.930 116.5 41.4 -61.6 -43.2 102.0 70.2 -5.5 76 162 A K H X5S+ 0 0 93 -4,-2.1 4,-1.8 4,-0.3 -2,-0.2 0.955 117.5 45.7 -66.8 -55.4 101.6 73.8 -6.8 77 163 A I H <5S+ 0 0 7 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.849 124.4 29.0 -60.5 -43.2 99.6 75.2 -3.8 78 164 A Y H <5S+ 0 0 2 -4,-2.5 68,-2.5 -5,-0.2 -1,-0.2 0.779 140.1 14.3 -89.5 -32.2 101.6 73.8 -0.9 79 165 A Y H <> - 0 0 51 -2,-0.3 3,-1.4 -3,-0.1 4,-0.6 -0.535 45.2-103.6 -87.3 165.1 105.4 70.1 -10.2 83 169 A I G >4 S+ 0 0 13 1,-0.3 3,-0.8 -2,-0.2 -1,-0.1 0.851 121.2 55.0 -61.9 -33.5 104.6 66.5 -9.0 84 170 A N G 34 S+ 0 0 120 1,-0.2 -1,-0.3 -56,-0.0 -55,-0.0 0.549 102.7 58.1 -77.5 -5.7 107.9 65.1 -10.2 85 171 A E G <4 S+ 0 0 110 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.549 82.9 107.6 -93.3 -16.0 109.9 67.7 -8.2 86 172 A L << - 0 0 13 -3,-0.8 2,-0.1 -4,-0.6 -53,-0.0 -0.364 68.3-127.9 -64.1 147.3 108.3 66.7 -4.9 87 173 A S > - 0 0 27 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.422 30.0-104.2 -82.8 167.5 110.4 64.8 -2.3 88 174 A I H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 125.1 54.4 -58.7 -42.4 109.2 61.5 -0.9 89 175 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.2 47.5 -58.5 -41.4 108.3 63.4 2.4 90 176 A Q H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 110.3 51.5 -69.7 -36.0 106.2 65.9 0.4 91 177 A M H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.929 110.8 48.5 -66.3 -42.4 104.4 63.1 -1.5 92 178 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.872 108.8 54.3 -63.9 -36.8 103.5 61.4 1.8 93 179 A M H >< S+ 0 0 5 -4,-2.0 3,-0.7 -5,-0.2 4,-0.4 0.951 112.1 43.5 -61.3 -48.8 102.3 64.8 3.2 94 180 A I H >< S+ 0 0 1 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.915 109.2 56.7 -63.6 -45.1 99.9 65.2 0.3 95 181 A A H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 4,-0.2 0.713 101.3 59.5 -60.5 -20.9 98.7 61.6 0.4 96 182 A G T << S+ 0 0 0 -4,-1.1 4,-0.5 -3,-0.7 -1,-0.3 0.629 93.4 70.7 -81.6 -14.3 97.7 62.1 4.0 97 183 A L S X S+ 0 0 1 -3,-1.8 3,-0.6 -4,-0.4 7,-0.2 0.809 74.4 73.2 -74.8 -40.3 95.3 64.9 3.1 98 184 A P T 3 S+ 0 0 6 0, 0.0 675,-0.3 0, 0.0 -1,-0.2 0.798 94.1 55.3 -48.7 -40.5 92.2 63.3 1.3 99 185 A K T 3 S- 0 0 76 -3,-0.2 -2,-0.1 1,-0.2 674,-0.1 0.905 135.2 -4.2 -61.3 -46.0 90.7 61.7 4.4 100 186 A A <> - 0 0 22 -3,-0.6 4,-2.5 -4,-0.5 -1,-0.2 -0.638 66.7-177.6-150.4 80.8 90.5 64.9 6.4 101 187 A P T 4 S+ 0 0 20 0, 0.0 -35,-0.1 0, 0.0 -2,-0.1 0.682 86.9 40.9 -63.1 -16.5 92.0 68.0 4.6 102 188 A S T 4 S+ 0 0 90 2,-0.2 3,-0.4 -37,-0.1 7,-0.1 0.846 114.6 50.7 -92.7 -41.7 91.4 70.5 7.4 103 189 A K T 4 S+ 0 0 119 1,-0.2 9,-0.1 -6,-0.1 10,-0.1 0.864 123.7 31.2 -62.0 -39.4 92.3 68.1 10.3 104 190 A Y S < S+ 0 0 31 -4,-2.5 -1,-0.2 -7,-0.2 -2,-0.2 0.360 84.0 137.1-101.2 0.6 95.7 67.2 8.5 105 191 A N > - 0 0 6 -3,-0.4 4,-2.9 -5,-0.2 8,-0.3 -0.286 50.2-145.6 -49.3 116.4 96.2 70.6 6.8 106 192 A P T 4 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 0.672 96.4 51.5 -65.0 -15.7 100.0 71.4 7.3 107 193 A V T 4 S+ 0 0 64 2,-0.2 -2,-0.0 3,-0.1 38,-0.0 0.916 121.4 28.7 -80.6 -52.0 99.2 75.2 7.6 108 194 A V T 4 S+ 0 0 96 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.1 0.872 137.0 25.0 -79.4 -43.4 96.5 74.9 10.3 109 195 A N X + 0 0 54 -4,-2.9 4,-2.9 -7,-0.1 5,-0.2 -0.539 65.1 161.8-125.2 68.4 97.7 71.7 12.0 110 196 A P H > S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.823 78.0 49.3 -56.1 -38.8 101.5 71.2 11.5 111 197 A E H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.941 116.8 40.8 -65.8 -48.5 102.0 68.7 14.4 112 198 A R H > S+ 0 0 132 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 114.6 53.2 -64.9 -44.4 99.1 66.5 13.3 113 199 A A H X S+ 0 0 1 -4,-2.9 4,-2.9 -8,-0.3 -1,-0.2 0.884 111.9 45.6 -58.7 -42.2 100.0 66.8 9.6 114 200 A L H X S+ 0 0 58 -4,-2.0 4,-3.2 -5,-0.2 -2,-0.2 0.883 111.2 51.3 -69.0 -41.8 103.6 65.7 10.4 115 201 A E H X S+ 0 0 141 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.945 114.2 45.5 -58.9 -46.6 102.4 62.8 12.6 116 202 A R H X S+ 0 0 19 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 114.1 48.3 -61.8 -50.7 100.1 61.8 9.6 117 203 A R H X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.923 113.2 47.2 -54.9 -50.3 103.1 62.2 7.1 118 204 A N H X S+ 0 0 46 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.830 109.2 53.3 -65.5 -32.4 105.5 60.2 9.3 119 205 A W H X S+ 0 0 80 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.916 111.3 46.7 -66.5 -44.1 102.9 57.4 9.8 120 206 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.917 111.2 51.5 -63.0 -44.9 102.5 57.1 6.0 121 207 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.913 109.1 51.6 -57.7 -40.1 106.3 57.2 5.5 122 208 A G H X S+ 0 0 17 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.877 111.3 46.4 -63.3 -39.6 106.5 54.3 8.1 123 209 A R H X S+ 0 0 24 -4,-1.9 4,-2.8 2,-0.2 6,-0.2 0.879 108.5 54.9 -71.1 -39.2 103.9 52.3 6.1 124 210 A M H <>S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 6,-1.1 0.919 112.0 45.7 -58.8 -39.8 105.7 53.0 2.8 125 211 A L H ><5S+ 0 0 57 -4,-2.3 3,-1.4 3,-0.2 -2,-0.2 0.956 113.5 47.6 -64.9 -51.8 108.8 51.5 4.5 126 212 A Q H 3<5S+ 0 0 79 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.856 112.7 50.2 -55.8 -42.6 106.9 48.5 6.0 127 213 A L T 3<5S- 0 0 82 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.473 113.9-118.8 -76.3 -7.1 105.3 47.9 2.5 128 214 A G T < 5S+ 0 0 59 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.651 79.0 124.3 76.1 17.3 108.7 48.0 0.8 129 215 A Y S - 0 0 54 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.365 32.2-106.2 -85.9 169.4 114.2 51.9 1.4 132 218 A Q H > S+ 0 0 141 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.884 123.8 52.4 -61.6 -39.5 115.4 52.4 5.0 133 219 A A H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 110.7 45.7 -61.1 -50.8 117.8 55.1 3.6 134 220 A E H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.887 113.9 51.0 -60.3 -41.0 114.8 56.9 1.8 135 221 A Y H X S+ 0 0 51 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.940 109.3 47.7 -60.3 -54.8 112.7 56.6 5.0 136 222 A Q H X S+ 0 0 107 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.898 114.7 47.7 -55.7 -42.3 115.4 58.1 7.4 137 223 A K H X S+ 0 0 156 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.946 114.8 46.3 -62.3 -49.0 115.9 61.0 4.9 138 224 A A H >< S+ 0 0 1 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.923 111.3 48.5 -63.8 -50.2 112.1 61.6 4.5 139 225 A V H 3< S+ 0 0 32 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 110.1 53.0 -60.3 -35.1 111.2 61.5 8.3 140 226 A A H 3< S+ 0 0 83 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.619 88.1 105.1 -73.2 -16.4 114.0 64.0 9.2 141 227 A E S << S- 0 0 32 -3,-1.1 2,-0.0 -4,-0.6 -3,-0.0 -0.461 71.9-128.7 -68.6 131.7 112.7 66.4 6.5 142 228 A P - 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0 0 59 -6,-2.0 -1,-0.2 -9,-0.1 2,-0.2 -0.802 63.6-123.8-119.5 160.5 60.9 72.3 -1.0 682 168 B S >> - 0 0 52 -2,-0.3 3,-1.3 -7,-0.1 4,-0.5 -0.526 46.5-100.6 -87.2 165.8 60.9 73.9 -4.4 683 169 B I G >4 S+ 0 0 7 1,-0.2 3,-0.8 -2,-0.2 -1,-0.1 0.843 122.2 56.3 -61.7 -29.3 61.8 77.6 -4.4 684 170 B N G 34 S+ 0 0 113 1,-0.2 -1,-0.2 -56,-0.1 -55,-0.0 0.582 101.4 57.8 -77.2 -13.9 58.1 78.7 -4.6 685 171 B E G <4 S+ 0 0 113 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.536 81.2 109.8 -93.2 -12.0 57.1 76.7 -1.5 686 172 B L << - 0 0 10 -3,-0.8 2,-0.1 -4,-0.5 -53,-0.0 -0.422 65.4-132.4 -66.4 141.8 59.6 78.5 0.8 687 173 B S > - 0 0 27 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.400 29.0-103.5 -82.3 168.4 58.1 80.9 3.4 688 174 B I H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.899 125.4 54.4 -58.7 -41.6 59.6 84.4 3.9 689 175 B A H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.881 111.3 45.2 -59.1 -39.4 61.4 83.2 7.0 690 176 B Q H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.842 111.1 51.2 -75.7 -35.6 63.0 80.3 4.9 691 177 B M H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.859 111.7 48.6 -68.3 -38.0 63.9 82.6 2.0 692 178 B A H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.847 108.7 54.2 -70.3 -36.4 65.6 85.0 4.5 693 179 B M H < S+ 0 0 4 -4,-1.5 3,-0.4 2,-0.2 4,-0.4 0.938 112.0 43.5 -61.4 -47.2 67.4 82.0 6.1 694 180 B I H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.904 110.2 55.1 -66.9 -42.7 68.9 81.0 2.7 695 181 B A H 3< S+ 0 0 1 -4,-2.2 4,-0.2 1,-0.3 -1,-0.2 0.723 102.9 59.3 -61.3 -25.4 69.8 84.6 1.7 696 182 B G T 3< S+ 0 0 1 -4,-1.1 4,-0.4 -3,-0.4 -1,-0.3 0.607 94.8 66.4 -78.5 -16.0 71.8 84.8 5.0 697 183 B L S X S+ 0 0 1 -3,-1.5 3,-0.5 -4,-0.4 7,-0.2 0.782 74.9 77.2 -79.6 -37.7 74.1 81.9 4.1 698 184 B P T 3 S+ 0 0 5 0, 0.0 -525,-0.3 0, 0.0 -1,-0.2 0.813 94.5 53.0 -46.2 -41.5 76.3 83.1 1.0 699 185 B K T 3 S- 0 0 83 1,-0.3 -2,-0.1 -4,-0.2 -526,-0.1 0.892 135.4 -0.1 -59.8 -49.6 78.6 85.2 3.1 700 186 B A <> - 0 0 27 -3,-0.5 4,-2.1 -4,-0.4 -1,-0.3 -0.741 65.2-176.3-145.7 87.3 79.5 82.4 5.6 701 187 B P T 4 S+ 0 0 22 0, 0.0 -35,-0.2 0, 0.0 -4,-0.1 0.393 88.7 38.7 -72.2 7.4 77.8 79.1 4.8 702 188 B S T 4 S+ 0 0 81 -5,-0.1 6,-0.1 -37,-0.1 7,-0.1 0.616 115.7 47.7-121.0 -33.2 79.2 77.4 8.0 703 189 B K T 4 S+ 0 0 102 1,-0.2 9,-0.1 -6,-0.1 -6,-0.1 0.837 124.0 33.5 -77.5 -36.8 79.0 80.3 10.5 704 190 B Y S < S+ 0 0 31 -4,-2.1 -1,-0.2 -7,-0.2 13,-0.1 0.299 90.0 135.1-100.9 6.5 75.4 81.1 9.6 705 191 B N > - 0 0 6 -5,-0.2 4,-1.9 1,-0.1 8,-0.3 -0.314 52.1-144.1 -60.4 130.7 74.4 77.4 8.9 706 192 B P T 4 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 0.641 95.9 48.7 -73.5 -14.4 71.0 76.2 10.3 707 193 B V T 4 S+ 0 0 55 2,-0.2 -5,-0.0 3,-0.1 -2,-0.0 0.915 121.7 29.0 -88.2 -52.0 72.3 72.7 11.1 708 194 B V T 4 S+ 0 0 93 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.1 0.850 139.4 20.4 -77.9 -38.4 75.6 73.4 12.9 709 195 B N X + 0 0 73 -4,-1.9 4,-2.2 1,-0.1 -1,-0.2 -0.621 65.0 160.2-132.0 72.7 74.6 76.8 14.4 710 196 B P H > S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.850 78.9 54.3 -63.5 -33.3 70.8 77.2 14.5 711 197 B E H > S+ 0 0 152 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.925 113.7 40.4 -62.7 -49.5 71.0 80.0 17.2 712 198 B R H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.825 111.5 59.0 -68.3 -36.5 73.4 82.1 15.0 713 199 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 -8,-0.3 -2,-0.2 0.890 104.9 48.8 -59.4 -45.7 71.3 81.2 11.8 714 200 B L H X S+ 0 0 48 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.877 107.4 55.5 -63.3 -41.2 68.1 82.7 13.3 715 201 B E H X S+ 0 0 103 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.862 111.4 43.8 -59.6 -41.7 70.0 86.0 14.3 716 202 B R H X S+ 0 0 17 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.877 114.3 50.6 -69.7 -43.0 71.2 86.5 10.7 717 203 B R H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.929 110.5 48.7 -59.6 -51.4 67.6 85.6 9.3 718 204 B N H X S+ 0 0 49 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.834 109.4 53.1 -59.7 -37.6 65.9 88.1 11.7 719 205 B W H X S+ 0 0 91 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.891 112.1 44.0 -65.2 -43.7 68.3 90.9 10.7 720 206 B I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.880 113.6 51.9 -67.9 -39.9 67.6 90.3 6.9 721 207 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.886 109.4 50.1 -61.6 -41.7 63.8 90.1 7.8 722 208 B G H X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.859 112.2 47.4 -63.1 -38.7 64.2 93.4 9.7 723 209 B R H X S+ 0 0 72 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.785 107.3 55.7 -75.1 -29.7 65.9 94.9 6.6 724 210 B M H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 6,-0.8 0.921 109.3 48.9 -66.0 -42.2 63.2 93.5 4.2 725 211 B L H ><5S+ 0 0 47 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.944 110.8 48.1 -60.8 -51.9 60.6 95.4 6.4 726 212 B Q H 3<5S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.749 110.6 51.8 -63.9 -25.5 62.5 98.7 6.3 727 213 B L T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.423 116.5-117.3 -88.4 -0.4 63.0 98.5 2.5 728 214 B G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.659 80.9 124.4 72.1 20.2 59.2 97.9 2.2 729 215 B Y S - 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