REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1sbd_1_A DATA FIRST_RESID 1 DATA SEQUENCE AETVSFSWNK FVPKQPNMIL QGDAIVTSSG KLQLNKVDEN GTPKPSSLGR DATA SEQUENCE ALYSTPIHIW DKETGSVASF AASFNFTFYA PDTKRLADGL AFFLAPIDTK DATA SEQUENCE PQTHAGYLGL FNENEXXDQV VAVEFDTFRN SWDPPNPHIG INVNSIRSIK DATA SEQUENCE TTSWDLANNK VAKVLITYDA STSLLVASLV YPSQRTSNIL SDVVDLKTSL DATA SEQUENCE PEWVRIGFSA ATGLDIPGES HDVLSWSFAS NLPH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.603 177.584 0.032 0.000 1.274 1 A CA 0.000 52.048 52.037 0.018 0.000 0.836 1 A CB 0.000 19.006 19.000 0.011 0.000 0.831 2 E N 0.080 120.298 120.200 0.029 0.000 2.343 2 E HA 0.583 4.933 4.350 -0.000 0.000 0.288 2 E C -1.075 175.551 176.600 0.042 0.000 0.907 2 E CA 0.016 56.446 56.400 0.050 0.000 0.792 2 E CB 1.716 31.458 29.700 0.070 0.000 1.275 2 E HN 1.140 nan 8.360 nan 0.000 0.402 3 T N -0.061 114.527 114.554 0.055 0.000 2.896 3 T HA 0.762 5.112 4.350 -0.000 0.000 0.297 3 T C -1.086 173.661 174.700 0.078 0.000 1.108 3 T CA -0.735 61.393 62.100 0.047 0.000 1.004 3 T CB 1.862 70.742 68.868 0.021 0.000 1.159 3 T HN 0.268 nan 8.240 nan 0.000 0.499 4 V N 0.476 120.438 119.914 0.080 0.000 3.206 4 V HA 0.964 5.084 4.120 -0.000 0.000 0.305 4 V C -1.612 174.526 176.094 0.073 0.000 1.257 4 V CA 0.332 62.709 62.300 0.128 0.000 1.057 4 V CB 2.116 34.074 31.823 0.224 0.000 1.075 4 V HN 1.945 nan 8.190 nan 0.000 0.443 5 S N 3.101 118.866 115.700 0.108 0.000 2.678 5 S HA 0.695 5.165 4.470 -0.000 0.000 0.290 5 S C -1.422 173.211 174.600 0.055 0.000 1.047 5 S CA -0.261 57.931 58.200 -0.013 0.000 0.851 5 S CB 0.900 64.026 63.200 -0.124 0.000 1.058 5 S HN 2.206 nan 8.310 nan 0.000 0.451 6 F N -0.763 119.055 119.950 -0.220 0.000 2.654 6 F HA 0.985 5.512 4.527 -0.000 0.000 0.308 6 F C -0.678 174.854 175.800 -0.448 0.000 1.108 6 F CA -0.168 57.653 58.000 -0.299 0.000 0.957 6 F CB 1.102 39.858 39.000 -0.406 0.000 1.309 6 F HN 1.250 nan 8.300 nan 0.000 0.446 7 S N 1.561 117.090 115.700 -0.285 0.000 2.546 7 S HA 0.737 5.206 4.470 -0.000 0.000 0.272 7 S C -2.255 172.322 174.600 -0.038 0.000 1.140 7 S CA -0.610 57.407 58.200 -0.305 0.000 0.920 7 S CB 1.131 64.253 63.200 -0.130 0.000 1.083 7 S HN 0.710 nan 8.310 nan 0.000 0.476 8 W N 1.002 122.335 121.300 0.055 0.000 2.957 8 W HA 0.551 5.211 4.660 -0.000 0.000 0.336 8 W C 0.454 176.964 176.519 -0.015 0.000 1.087 8 W CA -1.050 56.294 57.345 -0.002 0.000 1.235 8 W CB 0.733 30.121 29.460 -0.120 0.000 1.399 8 W HN 0.958 nan 8.180 nan 0.000 0.480 9 N N 0.454 119.275 118.700 0.203 0.000 2.280 9 N HA 0.399 5.139 4.740 -0.000 0.000 0.192 9 N C 0.406 175.996 175.510 0.134 0.000 1.109 9 N CA 1.251 54.385 53.050 0.139 0.000 0.855 9 N CB 0.485 39.034 38.487 0.103 0.000 0.974 9 N HN 0.543 nan 8.380 nan 0.000 0.482 10 K N -0.558 119.913 120.400 0.118 0.000 2.575 10 K HA 0.728 5.048 4.320 -0.000 0.000 0.279 10 K C -1.969 174.634 176.600 0.004 0.000 0.969 10 K CA -0.740 55.617 56.287 0.117 0.000 0.868 10 K CB 0.621 33.187 32.500 0.110 0.000 1.457 10 K HN 0.184 nan 8.250 nan 0.000 0.426 11 F N 0.363 120.396 119.950 0.139 0.000 2.421 11 F HA 0.632 5.159 4.527 -0.000 0.000 0.337 11 F C 1.006 176.797 175.800 -0.014 0.000 1.105 11 F CA -0.615 57.426 58.000 0.069 0.000 1.049 11 F CB 1.956 41.020 39.000 0.107 0.000 1.139 11 F HN 0.580 nan 8.300 nan 0.000 0.479 12 V N 4.598 124.552 119.914 0.067 0.000 2.394 12 V HA 0.563 4.682 4.120 -0.000 0.000 0.282 12 V C -2.516 173.594 176.094 0.026 0.000 1.031 12 V CA -2.735 59.572 62.300 0.012 0.000 0.881 12 V CB 0.853 32.635 31.823 -0.067 0.000 0.982 12 V HN 0.366 nan 8.190 nan 0.000 0.451 13 P HA 0.335 nan 4.420 nan 0.000 0.262 13 P C 0.522 177.822 177.300 0.001 0.000 1.182 13 P CA 1.447 64.560 63.100 0.022 0.000 0.761 13 P CB 0.472 32.182 31.700 0.017 0.000 0.795 14 K N 1.177 121.577 120.400 -0.000 0.000 3.341 14 K HA -0.244 4.076 4.320 -0.000 0.000 0.305 14 K C 0.480 177.062 176.600 -0.031 0.000 1.270 14 K CA 1.849 58.129 56.287 -0.013 0.000 0.897 14 K CB -2.913 29.578 32.500 -0.014 0.000 1.264 14 K HN 0.829 nan 8.250 nan 0.000 0.468 15 Q N -0.550 119.223 119.800 -0.045 0.000 2.255 15 Q HA 0.323 4.663 4.340 -0.000 0.000 0.280 15 Q C -1.445 174.504 176.000 -0.084 0.000 1.068 15 Q CA -0.932 54.813 55.803 -0.097 0.000 0.911 15 Q CB 0.778 29.398 28.738 -0.196 0.000 1.157 15 Q HN 0.305 nan 8.270 nan 0.000 0.380 16 P HA -0.139 nan 4.420 nan 0.000 0.231 16 P C 0.008 177.246 177.300 -0.103 0.000 1.158 16 P CA 0.971 64.025 63.100 -0.077 0.000 0.763 16 P CB 0.049 31.707 31.700 -0.071 0.000 0.805 17 N N -1.864 116.758 118.700 -0.131 0.000 2.270 17 N HA 0.072 4.812 4.740 -0.000 0.000 0.198 17 N C 0.415 175.839 175.510 -0.143 0.000 1.117 17 N CA 0.156 53.091 53.050 -0.192 0.000 0.845 17 N CB -0.155 38.250 38.487 -0.136 0.000 0.980 17 N HN 0.155 nan 8.380 nan 0.000 0.486 18 M N 0.543 120.131 119.600 -0.021 0.000 2.591 18 M HA 0.481 4.961 4.480 -0.000 0.000 0.306 18 M C -1.389 174.946 176.300 0.058 0.000 1.190 18 M CA -0.688 54.682 55.300 0.117 0.000 0.889 18 M CB 2.778 35.525 32.600 0.244 0.000 1.728 18 M HN -0.158 nan 8.290 nan 0.000 0.458 19 I N 3.311 123.937 120.570 0.092 0.000 2.447 19 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 19 I C -1.156 175.004 176.117 0.072 0.000 1.023 19 I CA -0.550 60.781 61.300 0.052 0.000 1.083 19 I CB 1.876 39.894 38.000 0.030 0.000 1.245 19 I HN 0.488 nan 8.210 nan 0.000 0.434 20 L N 6.838 128.088 121.223 0.045 0.000 2.282 20 L HA 0.493 4.833 4.340 -0.000 0.000 0.288 20 L C -0.439 176.445 176.870 0.023 0.000 1.033 20 L CA -0.470 54.391 54.840 0.035 0.000 0.807 20 L CB 1.402 43.472 42.059 0.018 0.000 1.209 20 L HN 0.561 nan 8.230 nan 0.000 0.423 21 Q N 1.601 121.418 119.800 0.027 0.000 2.387 21 Q HA 0.666 5.006 4.340 -0.000 0.000 0.273 21 Q C 0.430 176.436 176.000 0.009 0.000 1.089 21 Q CA -0.356 55.457 55.803 0.017 0.000 0.824 21 Q CB 2.473 31.224 28.738 0.021 0.000 1.367 21 Q HN 0.789 nan 8.270 nan 0.000 0.443 22 G N 1.738 110.538 108.800 -0.001 0.000 2.566 22 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.280 22 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.280 22 G C 0.092 174.988 174.900 -0.006 0.000 1.225 22 G CA 0.343 45.439 45.100 -0.007 0.000 0.966 22 G HN 0.775 nan 8.290 nan 0.000 0.560 23 D N 1.577 121.973 120.400 -0.006 0.000 2.310 23 D HA 0.244 4.884 4.640 -0.000 0.000 0.212 23 D C 1.779 178.077 176.300 -0.003 0.000 0.965 23 D CA 1.223 55.221 54.000 -0.003 0.000 0.879 23 D CB -0.594 40.207 40.800 0.002 0.000 0.921 23 D HN 0.958 nan 8.370 nan 0.000 0.510 24 A N 1.251 124.069 122.820 -0.004 0.000 2.565 24 A HA 0.340 4.660 4.320 -0.000 0.000 0.237 24 A C 0.587 178.155 177.584 -0.026 0.000 1.053 24 A CA 0.231 52.257 52.037 -0.018 0.000 0.755 24 A CB -0.255 18.737 19.000 -0.014 0.000 0.980 24 A HN 0.368 nan 8.150 nan 0.000 0.506 25 I N -0.199 120.344 120.570 -0.045 0.000 3.263 25 I HA 0.744 4.914 4.170 -0.000 0.000 0.314 25 I C -0.938 175.135 176.117 -0.072 0.000 1.269 25 I CA -1.158 60.117 61.300 -0.042 0.000 0.942 25 I CB 1.972 39.958 38.000 -0.023 0.000 1.305 25 I HN 0.617 nan 8.210 nan 0.000 0.474 26 V N 1.931 121.817 119.914 -0.047 0.000 2.417 26 V HA 0.601 4.721 4.120 -0.000 0.000 0.291 26 V C 0.243 176.335 176.094 -0.003 0.000 1.024 26 V CA 0.430 62.706 62.300 -0.040 0.000 0.861 26 V CB 1.338 33.160 31.823 -0.002 0.000 0.985 26 V HN 1.030 nan 8.190 nan 0.000 0.436 27 T N 2.974 117.530 114.554 0.004 0.000 2.868 27 T HA 0.230 4.580 4.350 -0.000 0.000 0.292 27 T C 1.541 176.260 174.700 0.032 0.000 1.028 27 T CA 0.281 62.391 62.100 0.016 0.000 1.059 27 T CB 1.193 70.069 68.868 0.013 0.000 0.991 27 T HN 1.529 nan 8.240 nan 0.000 0.531 28 S N 1.379 117.093 115.700 0.024 0.000 2.402 28 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 28 S C 1.876 176.499 174.600 0.037 0.000 1.030 28 S CA 1.221 59.437 58.200 0.026 0.000 1.003 28 S CB -1.291 61.920 63.200 0.017 0.000 0.813 28 S HN 1.111 nan 8.310 nan 0.000 0.477 29 S N 0.554 116.277 115.700 0.039 0.000 2.851 29 S HA 0.434 4.904 4.470 -0.000 0.000 0.227 29 S C 1.442 176.090 174.600 0.079 0.000 0.958 29 S CA 0.248 58.477 58.200 0.049 0.000 0.990 29 S CB -1.055 62.167 63.200 0.037 0.000 0.790 29 S HN 1.511 nan 8.310 nan 0.000 0.509 30 G N 1.116 109.976 108.800 0.099 0.000 2.187 30 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.261 30 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.261 30 G C -0.065 174.981 174.900 0.244 0.000 1.000 30 G CA 0.509 45.711 45.100 0.171 0.000 0.718 30 G HN 0.635 nan 8.290 nan 0.000 0.519 31 K N -0.600 119.882 120.400 0.137 0.000 2.144 31 K HA 0.574 4.894 4.320 -0.000 0.000 0.270 31 K C -0.012 176.529 176.600 -0.098 0.000 1.005 31 K CA -0.937 55.399 56.287 0.082 0.000 0.932 31 K CB 1.655 34.181 32.500 0.042 0.000 1.021 31 K HN 0.159 nan 8.250 nan 0.000 0.462 32 L N 2.678 123.687 121.223 -0.356 0.000 2.259 32 L HA 0.138 4.478 4.340 -0.000 0.000 0.288 32 L C -0.589 176.099 176.870 -0.302 0.000 1.051 32 L CA 0.287 54.760 54.840 -0.613 0.000 0.824 32 L CB 0.863 42.090 42.059 -1.385 0.000 1.206 32 L HN 0.550 nan 8.230 nan 0.000 0.429 33 Q N 4.449 124.144 119.800 -0.176 0.000 2.431 33 Q HA 0.269 4.609 4.340 -0.000 0.000 0.249 33 Q C 0.226 176.196 176.000 -0.050 0.000 1.025 33 Q CA -0.283 55.477 55.803 -0.072 0.000 0.835 33 Q CB 1.076 29.794 28.738 -0.033 0.000 1.207 33 Q HN 0.945 nan 8.270 nan 0.000 0.490 34 L N 2.820 124.027 121.223 -0.026 0.000 2.156 34 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 34 L C 0.107 177.003 176.870 0.043 0.000 1.095 34 L CA 0.983 55.823 54.840 -0.001 0.000 0.770 34 L CB 0.106 42.169 42.059 0.007 0.000 0.914 34 L HN 0.569 nan 8.230 nan 0.000 0.439 35 N N -1.401 117.346 118.700 0.079 0.000 2.381 35 N HA 0.471 5.211 4.740 -0.000 0.000 0.294 35 N C -0.454 175.091 175.510 0.060 0.000 1.216 35 N CA -0.523 52.579 53.050 0.087 0.000 0.803 35 N CB 0.879 39.459 38.487 0.156 0.000 1.372 35 N HN -0.152 nan 8.380 nan 0.000 0.500 36 K N 0.052 120.481 120.400 0.048 0.000 2.174 36 K HA 0.683 5.003 4.320 -0.000 0.000 0.275 36 K C -0.192 176.435 176.600 0.045 0.000 1.015 36 K CA -0.611 55.697 56.287 0.035 0.000 0.933 36 K CB 0.337 32.849 32.500 0.020 0.000 1.025 36 K HN 0.542 nan 8.250 nan 0.000 0.463 37 V N -2.817 117.121 119.914 0.040 0.000 3.130 37 V HA 0.859 4.979 4.120 -0.000 0.000 0.310 37 V C 0.128 176.244 176.094 0.037 0.000 1.158 37 V CA -0.347 61.983 62.300 0.050 0.000 1.029 37 V CB 1.338 33.197 31.823 0.060 0.000 1.057 37 V HN 1.119 nan 8.190 nan 0.000 0.436 38 D N 0.353 120.780 120.400 0.045 0.000 2.354 38 D HA 0.489 5.129 4.640 -0.000 0.000 0.238 38 D C 1.314 177.627 176.300 0.023 0.000 1.250 38 D CA 0.665 54.685 54.000 0.035 0.000 0.911 38 D CB 0.289 41.115 40.800 0.044 0.000 1.163 38 D HN 1.516 nan 8.370 nan 0.000 0.456 39 E N -1.386 118.824 120.200 0.017 0.000 2.051 39 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 39 E C 2.366 178.969 176.600 0.004 0.000 0.991 39 E CA 2.005 58.410 56.400 0.008 0.000 0.799 39 E CB -1.803 27.901 29.700 0.007 0.000 0.748 39 E HN 0.973 nan 8.360 nan 0.000 0.449 40 N N -0.211 118.497 118.700 0.012 0.000 2.430 40 N HA 0.178 4.917 4.740 -0.000 0.000 0.186 40 N C 2.134 177.643 175.510 -0.002 0.000 1.032 40 N CA 1.856 54.913 53.050 0.010 0.000 0.893 40 N CB -0.444 38.061 38.487 0.030 0.000 0.957 40 N HN 1.504 nan 8.380 nan 0.000 0.442 41 G N -2.525 106.282 108.800 0.011 0.000 2.176 41 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.232 41 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.232 41 G C 0.373 175.327 174.900 0.090 0.000 0.986 41 G CA 0.438 45.538 45.100 0.000 0.000 0.643 41 G HN 0.766 nan 8.290 nan 0.000 0.522 42 T N 3.533 118.168 114.554 0.135 0.000 2.919 42 T HA 0.493 4.843 4.350 -0.000 0.000 0.302 42 T C -2.004 172.778 174.700 0.136 0.000 1.031 42 T CA -0.223 61.996 62.100 0.200 0.000 1.127 42 T CB 1.632 70.584 68.868 0.141 0.000 0.952 42 T HN 0.172 nan 8.240 nan 0.000 0.540 43 P HA 0.387 nan 4.420 nan 0.000 0.278 43 P C -0.761 176.573 177.300 0.057 0.000 1.238 43 P CA -0.504 62.649 63.100 0.087 0.000 0.794 43 P CB 0.271 32.014 31.700 0.073 0.000 0.955 44 K N 3.479 123.908 120.400 0.049 0.000 2.211 44 K HA 0.505 4.825 4.320 -0.000 0.000 0.275 44 K C -2.555 174.063 176.600 0.030 0.000 1.024 44 K CA -2.070 54.237 56.287 0.033 0.000 0.887 44 K CB -0.761 31.754 32.500 0.025 0.000 1.084 44 K HN 0.398 nan 8.250 nan 0.000 0.463 45 P HA 0.135 nan 4.420 nan 0.000 0.272 45 P C 0.642 177.948 177.300 0.009 0.000 1.248 45 P CA 1.174 64.285 63.100 0.019 0.000 0.799 45 P CB 0.277 31.984 31.700 0.010 0.000 0.997 46 S N -1.790 113.922 115.700 0.020 0.000 3.420 46 S HA -0.192 4.278 4.470 -0.000 0.000 0.367 46 S C 0.585 175.137 174.600 -0.080 0.000 1.063 46 S CA 1.131 59.316 58.200 -0.025 0.000 1.073 46 S CB -2.173 60.986 63.200 -0.068 0.000 0.905 46 S HN 0.648 nan 8.310 nan 0.000 0.485 47 S N -0.627 115.069 115.700 -0.006 0.000 2.617 47 S HA 0.895 5.365 4.470 -0.000 0.000 0.283 47 S C -0.618 173.996 174.600 0.024 0.000 1.189 47 S CA -0.235 57.965 58.200 0.000 0.000 1.036 47 S CB 1.323 64.542 63.200 0.032 0.000 1.014 47 S HN 1.602 nan 8.310 nan 0.000 0.522 48 L N 2.879 124.109 121.223 0.011 0.000 2.588 48 L HA 0.749 5.088 4.340 -0.000 0.000 0.263 48 L C -0.451 176.427 176.870 0.014 0.000 0.935 48 L CA 0.222 55.076 54.840 0.023 0.000 0.891 48 L CB 1.526 43.596 42.059 0.020 0.000 1.318 48 L HN 0.824 nan 8.230 nan 0.000 0.409 49 G N 3.935 112.748 108.800 0.021 0.000 2.591 49 G HA2 0.792 4.752 3.960 -0.000 0.000 0.306 49 G HA3 0.792 4.752 3.960 -0.000 0.000 0.306 49 G C -1.395 173.520 174.900 0.025 0.000 1.334 49 G CA -0.700 44.410 45.100 0.016 0.000 0.981 49 G HN 0.561 nan 8.290 nan 0.000 0.491 50 R N -0.126 120.396 120.500 0.037 0.000 2.854 50 R HA 0.836 5.176 4.340 -0.000 0.000 0.271 50 R C -0.955 175.401 176.300 0.092 0.000 0.994 50 R CA -0.871 55.281 56.100 0.086 0.000 0.945 50 R CB 2.663 33.024 30.300 0.100 0.000 1.194 50 R HN 0.754 nan 8.270 nan 0.000 0.476 51 A N 2.302 125.206 122.820 0.139 0.000 2.488 51 A HA 0.641 4.961 4.320 -0.000 0.000 0.295 51 A C -1.339 176.332 177.584 0.145 0.000 1.045 51 A CA -0.635 51.484 52.037 0.137 0.000 0.703 51 A CB 1.077 20.144 19.000 0.112 0.000 1.271 51 A HN 0.526 nan 8.150 nan 0.000 0.400 52 L N 0.928 122.248 121.223 0.162 0.000 2.309 52 L HA 0.586 4.926 4.340 -0.000 0.000 0.261 52 L C -0.793 176.268 176.870 0.318 0.000 1.021 52 L CA -0.989 53.941 54.840 0.151 0.000 0.823 52 L CB 1.747 43.834 42.059 0.047 0.000 1.366 52 L HN 0.763 nan 8.230 nan 0.000 0.423 53 Y N -0.174 120.229 120.300 0.172 0.000 2.323 53 Y HA 0.207 4.757 4.550 -0.000 0.000 0.331 53 Y C 1.258 177.158 175.900 -0.001 0.000 1.092 53 Y CA -0.187 57.973 58.100 0.100 0.000 1.150 53 Y CB 1.743 40.119 38.460 -0.141 0.000 1.200 53 Y HN 0.747 nan 8.280 nan 0.000 0.472 54 S N 2.302 117.717 115.700 -0.476 0.000 2.363 54 S HA -0.102 4.368 4.470 -0.000 0.000 0.218 54 S C 1.186 175.605 174.600 -0.302 0.000 1.035 54 S CA 1.137 59.128 58.200 -0.348 0.000 1.043 54 S CB -1.691 61.329 63.200 -0.299 0.000 0.986 54 S HN 1.007 nan 8.310 nan 0.000 0.423 55 T N 5.317 119.608 114.554 -0.438 0.000 2.905 55 T HA 0.419 4.769 4.350 -0.000 0.000 0.299 55 T C -2.179 172.551 174.700 0.050 0.000 1.024 55 T CA -1.045 60.982 62.100 -0.121 0.000 1.151 55 T CB -0.690 68.177 68.868 -0.003 0.000 0.987 55 T HN 0.234 nan 8.240 nan 0.000 0.535 56 P HA 0.435 nan 4.420 nan 0.000 0.277 56 P C -0.710 176.806 177.300 0.361 0.000 1.240 56 P CA -0.611 62.611 63.100 0.203 0.000 0.798 56 P CB 0.767 32.596 31.700 0.215 0.000 0.979 57 I N 1.578 122.321 120.570 0.288 0.000 2.377 57 I HA 0.197 4.367 4.170 -0.000 0.000 0.293 57 I C 0.811 176.924 176.117 -0.007 0.000 0.987 57 I CA -0.599 60.812 61.300 0.186 0.000 1.185 57 I CB 0.270 38.322 38.000 0.087 0.000 1.341 57 I HN 0.483 nan 8.210 nan 0.000 0.455 58 H N 5.695 124.470 119.070 -0.492 0.000 3.014 58 H HA 0.176 4.732 4.556 -0.000 0.000 0.266 58 H C 0.585 175.627 175.328 -0.477 0.000 1.455 58 H CA -0.437 54.957 56.048 -1.090 0.000 1.402 58 H CB 0.956 29.703 29.762 -1.690 0.000 1.626 58 H HN 0.456 nan 8.280 nan 0.000 0.520 59 I N 5.509 125.905 120.570 -0.290 0.000 2.500 59 I HA -0.079 4.091 4.170 -0.000 0.000 0.252 59 I C 0.454 176.586 176.117 0.025 0.000 1.142 59 I CA 0.744 62.002 61.300 -0.069 0.000 1.451 59 I CB -0.031 37.997 38.000 0.048 0.000 1.093 59 I HN 0.575 nan 8.210 nan 0.000 0.430 60 W N -1.049 120.071 121.300 -0.300 0.000 3.074 60 W HA 0.493 5.153 4.660 -0.000 0.000 0.332 60 W C -1.780 174.572 176.519 -0.277 0.000 1.253 60 W CA -1.011 56.188 57.345 -0.242 0.000 1.180 60 W CB 0.887 30.293 29.460 -0.091 0.000 1.445 60 W HN -0.170 nan 8.180 nan 0.000 0.573 61 D N 1.114 121.653 120.400 0.232 0.000 2.593 61 D HA 0.339 4.979 4.640 -0.000 0.000 0.251 61 D C 0.978 177.450 176.300 0.285 0.000 1.140 61 D CA 0.146 54.192 54.000 0.075 0.000 0.855 61 D CB 2.294 43.092 40.800 -0.002 0.000 1.267 61 D HN 0.606 nan 8.370 nan 0.000 0.532 62 K N 2.626 123.113 120.400 0.146 0.000 1.987 62 K HA -0.178 4.142 4.320 -0.000 0.000 0.216 62 K C 1.938 178.652 176.600 0.189 0.000 1.051 62 K CA 2.644 59.079 56.287 0.247 0.000 0.942 62 K CB -1.657 30.907 32.500 0.105 0.000 0.722 62 K HN 0.638 nan 8.250 nan 0.000 0.444 63 E N -0.105 120.171 120.200 0.126 0.000 2.019 63 E HA -0.197 4.153 4.350 -0.000 0.000 0.208 63 E C 2.684 179.343 176.600 0.098 0.000 1.030 63 E CA 3.368 59.828 56.400 0.100 0.000 0.856 63 E CB -1.924 27.826 29.700 0.082 0.000 0.781 63 E HN 0.891 nan 8.360 nan 0.000 0.471 64 T N -1.306 113.304 114.554 0.093 0.000 2.684 64 T HA 0.231 4.581 4.350 -0.000 0.000 0.267 64 T C 2.470 177.225 174.700 0.092 0.000 1.036 64 T CA 3.197 65.344 62.100 0.078 0.000 1.148 64 T CB -0.712 68.195 68.868 0.064 0.000 0.863 64 T HN 1.794 nan 8.240 nan 0.000 0.436 65 G N -0.422 108.465 108.800 0.144 0.000 2.147 65 G HA2 0.244 4.204 3.960 -0.000 0.000 0.244 65 G HA3 0.244 4.204 3.960 -0.000 0.000 0.244 65 G C 0.345 175.306 174.900 0.102 0.000 1.005 65 G CA 0.859 46.047 45.100 0.147 0.000 0.713 65 G HN 1.522 nan 8.290 nan 0.000 0.515 66 S N -1.054 114.708 115.700 0.103 0.000 2.592 66 S HA 0.775 5.245 4.470 -0.000 0.000 0.271 66 S C 0.213 174.868 174.600 0.091 0.000 1.326 66 S CA 0.318 58.556 58.200 0.063 0.000 1.024 66 S CB 1.449 64.665 63.200 0.027 0.000 0.921 66 S HN 1.203 nan 8.310 nan 0.000 0.527 67 V N 1.986 121.943 119.914 0.071 0.000 2.540 67 V HA 0.694 4.814 4.120 -0.000 0.000 0.302 67 V C 0.622 176.785 176.094 0.114 0.000 1.035 67 V CA -0.908 61.460 62.300 0.114 0.000 0.873 67 V CB 1.009 32.905 31.823 0.121 0.000 0.992 67 V HN 1.163 nan 8.190 nan 0.000 0.428 68 A N 3.679 126.578 122.820 0.132 0.000 2.386 68 A HA 0.646 4.966 4.320 -0.000 0.000 0.246 68 A C 0.397 178.116 177.584 0.225 0.000 1.089 68 A CA -0.075 52.046 52.037 0.139 0.000 0.790 68 A CB 0.292 19.383 19.000 0.152 0.000 1.042 68 A HN 0.796 nan 8.150 nan 0.000 0.497 69 S N 0.092 115.878 115.700 0.143 0.000 2.473 69 S HA 0.717 5.187 4.470 -0.000 0.000 0.307 69 S C -0.686 173.958 174.600 0.073 0.000 1.094 69 S CA -0.346 57.903 58.200 0.082 0.000 1.070 69 S CB 0.717 63.889 63.200 -0.046 0.000 1.019 69 S HN 0.683 nan 8.310 nan 0.000 0.480 70 F N 0.013 120.020 119.950 0.096 0.000 2.664 70 F HA 1.018 5.545 4.527 -0.000 0.000 0.329 70 F C -0.469 175.268 175.800 -0.105 0.000 1.090 70 F CA -1.539 56.398 58.000 -0.104 0.000 0.978 70 F CB 0.896 39.887 39.000 -0.014 0.000 1.378 70 F HN 0.636 nan 8.300 nan 0.000 0.495 71 A N 0.607 123.394 122.820 -0.054 0.000 2.574 71 A HA 0.948 5.268 4.320 -0.000 0.000 0.297 71 A C -1.603 175.957 177.584 -0.040 0.000 1.062 71 A CA -0.286 51.739 52.037 -0.019 0.000 0.686 71 A CB 1.225 20.146 19.000 -0.132 0.000 1.285 71 A HN 1.927 nan 8.150 nan 0.000 0.403 72 A N 0.492 123.379 122.820 0.113 0.000 2.556 72 A HA 1.000 5.320 4.320 -0.000 0.000 0.294 72 A C -0.280 177.354 177.584 0.083 0.000 1.091 72 A CA 0.094 52.208 52.037 0.128 0.000 0.704 72 A CB 1.453 20.577 19.000 0.207 0.000 1.300 72 A HN 2.481 nan 8.150 nan 0.000 0.406 73 S N -0.589 115.225 115.700 0.190 0.000 2.596 73 S HA 0.930 5.400 4.470 -0.000 0.000 0.270 73 S C -0.973 173.897 174.600 0.450 0.000 1.155 73 S CA -0.516 57.766 58.200 0.137 0.000 0.827 73 S CB 1.315 64.504 63.200 -0.018 0.000 1.130 73 S HN 2.057 nan 8.310 nan 0.000 0.467 74 F N -1.496 118.570 119.950 0.192 0.000 2.725 74 F HA 0.629 5.156 4.527 -0.000 0.000 0.311 74 F C -1.581 174.317 175.800 0.164 0.000 1.121 74 F CA -1.103 57.039 58.000 0.236 0.000 0.978 74 F CB 0.346 39.517 39.000 0.286 0.000 1.274 74 F HN 0.478 nan 8.300 nan 0.000 0.440 75 N N 2.493 121.345 118.700 0.252 0.000 2.472 75 N HA 0.631 5.371 4.740 -0.000 0.000 0.277 75 N C -1.080 174.627 175.510 0.329 0.000 1.081 75 N CA -0.223 52.912 53.050 0.142 0.000 0.973 75 N CB 1.182 39.741 38.487 0.120 0.000 1.105 75 N HN 0.735 nan 8.380 nan 0.000 0.470 76 F N -1.159 118.831 119.950 0.067 0.000 2.662 76 F HA 0.795 5.322 4.527 -0.000 0.000 0.312 76 F C -0.535 175.333 175.800 0.112 0.000 1.113 76 F CA -0.874 57.190 58.000 0.106 0.000 0.951 76 F CB 1.152 40.245 39.000 0.156 0.000 1.344 76 F HN 0.371 nan 8.300 nan 0.000 0.462 77 T N -0.206 114.562 114.554 0.356 0.000 2.838 77 T HA 0.831 5.181 4.350 -0.000 0.000 0.292 77 T C -1.280 173.736 174.700 0.527 0.000 1.113 77 T CA -0.710 61.533 62.100 0.239 0.000 1.008 77 T CB 2.156 71.080 68.868 0.094 0.000 1.259 77 T HN 1.294 nan 8.240 nan 0.000 0.520 78 F N -0.988 119.136 119.950 0.290 0.000 2.613 78 F HA 0.816 5.343 4.527 -0.000 0.000 0.310 78 F C -2.071 173.837 175.800 0.180 0.000 1.085 78 F CA -1.823 56.300 58.000 0.205 0.000 0.945 78 F CB 1.534 40.675 39.000 0.235 0.000 1.298 78 F HN 0.773 nan 8.300 nan 0.000 0.455 79 Y N 2.526 122.976 120.300 0.250 0.000 2.326 79 Y HA 0.786 5.336 4.550 -0.000 0.000 0.329 79 Y C -1.435 174.571 175.900 0.177 0.000 0.973 79 Y CA -1.584 56.592 58.100 0.128 0.000 1.162 79 Y CB 1.555 40.041 38.460 0.043 0.000 1.147 79 Y HN 1.074 nan 8.280 nan 0.000 0.456 80 A N 8.831 131.309 122.820 -0.570 0.000 2.293 80 A HA 0.537 4.857 4.320 -0.000 0.000 0.312 80 A C -2.215 174.937 177.584 -0.719 0.000 1.309 80 A CA -1.738 50.019 52.037 -0.467 0.000 0.839 80 A CB 0.775 19.745 19.000 -0.050 0.000 1.155 80 A HN 0.617 nan 8.150 nan 0.000 0.501 81 P HA -0.131 nan 4.420 nan 0.000 0.216 81 P C 0.073 177.272 177.300 -0.168 0.000 1.153 81 P CA 1.559 64.439 63.100 -0.367 0.000 0.858 81 P CB 0.231 31.846 31.700 -0.143 0.000 0.789 82 D N -1.459 118.861 120.400 -0.133 0.000 2.542 82 D HA 0.105 4.745 4.640 -0.000 0.000 0.252 82 D C 0.726 176.995 176.300 -0.052 0.000 1.222 82 D CA -0.312 53.649 54.000 -0.064 0.000 0.895 82 D CB 0.905 41.685 40.800 -0.034 0.000 1.207 82 D HN -0.110 nan 8.370 nan 0.000 0.558 83 T N 0.208 114.740 114.554 -0.035 0.000 3.118 83 T HA 0.045 4.395 4.350 -0.000 0.000 0.260 83 T C 1.591 176.280 174.700 -0.019 0.000 1.139 83 T CA 1.220 63.310 62.100 -0.017 0.000 1.085 83 T CB -0.043 68.824 68.868 -0.002 0.000 0.934 83 T HN 0.316 nan 8.240 nan 0.000 0.518 84 K N 0.746 121.137 120.400 -0.016 0.000 2.314 84 K HA 0.474 4.794 4.320 -0.000 0.000 0.198 84 K C 1.716 178.317 176.600 0.002 0.000 1.045 84 K CA 0.803 57.083 56.287 -0.012 0.000 0.988 84 K CB -0.656 31.838 32.500 -0.010 0.000 0.783 84 K HN 0.736 nan 8.250 nan 0.000 0.484 85 R N 1.020 121.525 120.500 0.008 0.000 2.477 85 R HA 0.661 5.001 4.340 -0.000 0.000 0.285 85 R C -0.465 175.859 176.300 0.040 0.000 1.415 85 R CA -0.540 55.583 56.100 0.038 0.000 1.446 85 R CB -0.755 29.566 30.300 0.035 0.000 1.110 85 R HN 0.356 nan 8.270 nan 0.000 0.590 86 L N 0.720 121.984 121.223 0.068 0.000 2.334 86 L HA 1.013 5.353 4.340 -0.000 0.000 0.272 86 L C 0.496 177.466 176.870 0.166 0.000 1.020 86 L CA -1.002 53.870 54.840 0.054 0.000 0.812 86 L CB 2.259 44.294 42.059 -0.039 0.000 1.264 86 L HN 0.774 nan 8.230 nan 0.000 0.439 87 A N 0.528 123.408 122.820 0.101 0.000 2.549 87 A HA 0.330 4.650 4.320 -0.000 0.000 0.297 87 A C -0.750 176.913 177.584 0.131 0.000 0.983 87 A CA -0.496 51.603 52.037 0.103 0.000 0.654 87 A CB 0.988 19.912 19.000 -0.125 0.000 1.319 87 A HN 0.703 nan 8.150 nan 0.000 0.428 88 D N -0.408 120.091 120.400 0.166 0.000 2.473 88 D HA 0.430 5.070 4.640 -0.000 0.000 0.230 88 D C 0.763 177.148 176.300 0.141 0.000 1.097 88 D CA 1.731 55.798 54.000 0.112 0.000 0.861 88 D CB 1.429 42.256 40.800 0.045 0.000 1.114 88 D HN 1.564 nan 8.370 nan 0.000 0.500 89 G N 0.597 109.445 108.800 0.080 0.000 2.369 89 G HA2 0.294 4.254 3.960 -0.000 0.000 0.295 89 G HA3 0.294 4.254 3.960 -0.000 0.000 0.295 89 G C -2.313 172.358 174.900 -0.382 0.000 1.298 89 G CA -0.546 44.565 45.100 0.018 0.000 0.940 89 G HN 0.140 nan 8.290 nan 0.000 0.536 90 L N -0.593 120.558 121.223 -0.120 0.000 2.466 90 L HA 1.030 5.370 4.340 -0.000 0.000 0.258 90 L C -0.354 176.591 176.870 0.126 0.000 0.973 90 L CA 0.068 54.826 54.840 -0.137 0.000 0.826 90 L CB 1.775 43.696 42.059 -0.230 0.000 1.372 90 L HN 2.376 nan 8.230 nan 0.000 0.409 91 A N 3.011 125.912 122.820 0.135 0.000 2.572 91 A HA 0.789 5.109 4.320 -0.000 0.000 0.295 91 A C -1.988 175.785 177.584 0.315 0.000 1.072 91 A CA -0.421 51.777 52.037 0.267 0.000 0.691 91 A CB 1.184 20.282 19.000 0.164 0.000 1.291 91 A HN 0.928 nan 8.150 nan 0.000 0.404 92 F N 2.289 122.364 119.950 0.209 0.000 2.495 92 F HA 0.848 5.375 4.527 -0.000 0.000 0.327 92 F C -0.944 174.936 175.800 0.133 0.000 1.103 92 F CA -1.044 56.920 58.000 -0.060 0.000 0.949 92 F CB 1.245 40.191 39.000 -0.089 0.000 1.142 92 F HN 0.786 nan 8.300 nan 0.000 0.457 93 F N 3.584 122.807 119.950 -1.212 0.000 2.831 93 F HA 0.811 5.338 4.527 -0.000 0.000 0.318 93 F C -2.620 172.695 175.800 -0.808 0.000 1.174 93 F CA -1.810 55.720 58.000 -0.783 0.000 0.918 93 F CB 0.899 39.680 39.000 -0.365 0.000 1.364 93 F HN 0.306 nan 8.300 nan 0.000 0.475 94 L N 1.689 122.688 121.223 -0.374 0.000 2.410 94 L HA 0.955 5.295 4.340 -0.000 0.000 0.270 94 L C -0.301 176.557 176.870 -0.019 0.000 0.983 94 L CA -0.494 54.143 54.840 -0.339 0.000 0.822 94 L CB 1.505 43.410 42.059 -0.258 0.000 1.285 94 L HN 1.166 nan 8.230 nan 0.000 0.409 95 A N 3.020 125.817 122.820 -0.038 0.000 2.583 95 A HA 1.031 5.351 4.320 -0.000 0.000 0.289 95 A C -2.940 174.658 177.584 0.024 0.000 1.151 95 A CA -1.534 50.539 52.037 0.059 0.000 0.695 95 A CB 1.540 20.650 19.000 0.183 0.000 1.290 95 A HN 0.388 nan 8.150 nan 0.000 0.419 96 P HA 0.327 nan 4.420 nan 0.000 0.272 96 P C 0.654 177.967 177.300 0.023 0.000 1.240 96 P CA -0.180 62.942 63.100 0.037 0.000 0.791 96 P CB 0.372 32.092 31.700 0.032 0.000 0.978 97 I N 0.420 121.003 120.570 0.020 0.000 2.226 97 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 97 I C 2.386 178.498 176.117 -0.009 0.000 1.100 97 I CA 2.390 63.691 61.300 0.002 0.000 1.374 97 I CB -1.295 36.694 38.000 -0.018 0.000 1.057 97 I HN 0.350 nan 8.210 nan 0.000 0.413 98 D N 0.006 120.400 120.400 -0.010 0.000 2.351 98 D HA -0.124 4.516 4.640 -0.000 0.000 0.216 98 D C 1.453 177.748 176.300 -0.008 0.000 0.968 98 D CA 1.080 55.071 54.000 -0.015 0.000 0.899 98 D CB -0.710 40.081 40.800 -0.015 0.000 0.907 98 D HN 0.305 nan 8.370 nan 0.000 0.514 99 T N 0.030 114.587 114.554 0.004 0.000 2.891 99 T HA 0.436 4.786 4.350 -0.000 0.000 0.296 99 T C 0.193 174.897 174.700 0.006 0.000 1.025 99 T CA 1.054 63.160 62.100 0.010 0.000 1.149 99 T CB 0.237 69.130 68.868 0.041 0.000 1.007 99 T HN 0.751 nan 8.240 nan 0.000 0.528 100 K N 4.893 125.283 120.400 -0.016 0.000 2.444 100 K HA 0.766 5.086 4.320 -0.000 0.000 0.252 100 K C -3.115 173.453 176.600 -0.053 0.000 0.993 100 K CA -1.909 54.364 56.287 -0.023 0.000 0.847 100 K CB 0.319 32.804 32.500 -0.024 0.000 1.340 100 K HN 0.509 nan 8.250 nan 0.000 0.446 101 P HA 0.195 nan 4.420 nan 0.000 0.268 101 P C -0.514 176.740 177.300 -0.077 0.000 1.205 101 P CA -0.193 62.863 63.100 -0.072 0.000 0.771 101 P CB 0.901 32.578 31.700 -0.038 0.000 0.858 102 Q N 0.460 120.196 119.800 -0.107 0.000 2.994 102 Q HA 0.324 4.664 4.340 -0.000 0.000 0.189 102 Q C 0.137 176.118 176.000 -0.031 0.000 1.108 102 Q CA -0.239 55.508 55.803 -0.093 0.000 0.683 102 Q CB -0.535 28.108 28.738 -0.158 0.000 3.959 102 Q HN 0.291 nan 8.270 nan 0.000 0.357 103 T N 2.145 116.669 114.554 -0.049 0.000 2.918 103 T HA 0.139 4.489 4.350 -0.000 0.000 0.302 103 T C 0.339 175.077 174.700 0.063 0.000 1.045 103 T CA -0.260 61.818 62.100 -0.036 0.000 1.114 103 T CB 0.073 68.781 68.868 -0.267 0.000 0.965 103 T HN 0.418 nan 8.240 nan 0.000 0.540 104 H N 0.762 119.875 119.070 0.071 0.000 2.885 104 H HA 0.720 5.276 4.556 -0.000 0.000 0.263 104 H C 1.118 176.538 175.328 0.153 0.000 1.564 104 H CA -0.373 55.727 56.048 0.086 0.000 1.632 104 H CB -0.494 29.291 29.762 0.039 0.000 1.650 104 H HN 0.789 nan 8.280 nan 0.000 0.928 105 A N -0.567 122.349 122.820 0.159 0.000 5.481 105 A HA -0.354 3.966 4.320 -0.000 0.000 0.318 105 A C 2.182 179.822 177.584 0.093 0.000 1.837 105 A CA 2.883 54.968 52.037 0.081 0.000 0.717 105 A CB -2.292 16.709 19.000 0.002 0.000 1.349 105 A HN 1.410 nan 8.150 nan 0.000 0.388 106 G N -2.945 105.903 108.800 0.080 0.000 2.581 106 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.223 106 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.223 106 G C 0.999 175.985 174.900 0.145 0.000 1.094 106 G CA 2.045 47.235 45.100 0.149 0.000 0.736 106 G HN 0.810 nan 8.290 nan 0.000 0.588 107 Y N -0.501 119.904 120.300 0.174 0.000 2.461 107 Y HA 0.400 4.950 4.550 -0.000 0.000 0.277 107 Y C 1.482 177.448 175.900 0.109 0.000 1.182 107 Y CA -0.541 57.642 58.100 0.138 0.000 1.276 107 Y CB 0.059 38.556 38.460 0.061 0.000 1.087 107 Y HN 0.017 nan 8.280 nan 0.000 0.519 108 L N -0.221 121.105 121.223 0.172 0.000 4.111 108 L HA -0.377 3.963 4.340 -0.000 0.000 0.428 108 L C 1.538 178.400 176.870 -0.014 0.000 1.149 108 L CA 0.934 55.818 54.840 0.073 0.000 0.981 108 L CB -1.940 40.162 42.059 0.072 0.000 1.914 108 L HN 0.523 nan 8.230 nan 0.000 1.016 109 G N -1.330 107.482 108.800 0.020 0.000 2.168 109 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.263 109 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.263 109 G C 0.573 175.332 174.900 -0.235 0.000 0.977 109 G CA 0.634 45.697 45.100 -0.063 0.000 0.659 109 G HN 0.434 nan 8.290 nan 0.000 0.533 110 L N -2.006 119.031 121.223 -0.310 0.000 2.575 110 L HA 0.529 4.869 4.340 -0.000 0.000 0.228 110 L C 0.610 176.901 176.870 -0.965 0.000 1.075 110 L CA 0.087 54.468 54.840 -0.764 0.000 0.867 110 L CB 0.211 41.625 42.059 -1.075 0.000 1.097 110 L HN 0.133 nan 8.230 nan 0.000 0.485 111 F N -0.361 119.565 119.950 -0.040 0.000 2.577 111 F HA 0.546 5.073 4.527 -0.000 0.000 0.318 111 F C 0.514 176.273 175.800 -0.069 0.000 1.065 111 F CA -0.803 57.189 58.000 -0.013 0.000 0.929 111 F CB 0.891 39.920 39.000 0.048 0.000 1.237 111 F HN -0.153 nan 8.300 nan 0.000 0.468 112 N N -0.330 118.366 118.700 -0.005 0.000 2.472 112 N HA 0.531 5.271 4.740 -0.000 0.000 0.289 112 N C 0.776 176.054 175.510 -0.388 0.000 1.156 112 N CA 0.052 52.960 53.050 -0.235 0.000 0.940 112 N CB 0.621 39.025 38.487 -0.138 0.000 1.200 112 N HN 0.848 nan 8.380 nan 0.000 0.511 113 E N -0.657 119.182 120.200 -0.601 0.000 2.068 113 E HA -0.222 4.128 4.350 -0.000 0.000 0.207 113 E C 1.376 177.902 176.600 -0.122 0.000 1.032 113 E CA 2.277 58.414 56.400 -0.438 0.000 0.839 113 E CB -1.880 27.657 29.700 -0.272 0.000 0.758 113 E HN 1.294 nan 8.360 nan 0.000 0.457 114 N N 0.152 118.799 118.700 -0.089 0.000 2.366 114 N HA 0.530 5.269 4.740 -0.000 0.000 0.277 114 N C 0.686 176.184 175.510 -0.020 0.000 1.275 114 N CA 0.637 53.665 53.050 -0.036 0.000 0.964 114 N CB -0.115 38.353 38.487 -0.031 0.000 1.167 114 N HN 1.040 nan 8.380 nan 0.000 0.568 119 Q N 0.377 120.197 119.800 0.034 0.000 2.389 119 Q HA 0.619 4.959 4.340 -0.000 0.000 0.244 119 Q C -0.223 175.816 176.000 0.065 0.000 1.056 119 Q CA -0.446 55.399 55.803 0.069 0.000 0.908 119 Q CB 0.726 29.514 28.738 0.083 0.000 1.273 119 Q HN 1.263 nan 8.270 nan 0.000 0.471 120 V N 2.333 122.300 119.914 0.088 0.000 2.604 120 V HA 0.629 4.749 4.120 -0.000 0.000 0.305 120 V C -0.351 175.848 176.094 0.174 0.000 1.043 120 V CA -0.773 61.572 62.300 0.074 0.000 0.888 120 V CB 2.214 33.936 31.823 -0.168 0.000 0.995 120 V HN 0.679 nan 8.190 nan 0.000 0.429 121 V N 4.003 124.003 119.914 0.143 0.000 2.409 121 V HA 0.907 5.027 4.120 -0.000 0.000 0.291 121 V C 0.093 176.298 176.094 0.184 0.000 1.020 121 V CA -0.195 62.201 62.300 0.160 0.000 0.848 121 V CB 1.528 33.422 31.823 0.118 0.000 0.990 121 V HN 1.055 nan 8.190 nan 0.000 0.430 122 A N 4.454 127.409 122.820 0.225 0.000 2.539 122 A HA 0.901 5.221 4.320 -0.000 0.000 0.296 122 A C -1.347 176.371 177.584 0.224 0.000 1.073 122 A CA -0.577 51.605 52.037 0.241 0.000 0.700 122 A CB 2.204 21.350 19.000 0.243 0.000 1.296 122 A HN 0.590 nan 8.150 nan 0.000 0.405 123 V N 2.566 122.641 119.914 0.269 0.000 2.357 123 V HA 0.434 4.554 4.120 -0.000 0.000 0.284 123 V C 0.086 176.217 176.094 0.061 0.000 1.018 123 V CA -0.409 61.989 62.300 0.162 0.000 0.841 123 V CB 1.191 33.158 31.823 0.241 0.000 0.991 123 V HN 0.952 nan 8.190 nan 0.000 0.437 124 E N 4.813 124.947 120.200 -0.109 0.000 2.191 124 E HA 0.474 4.824 4.350 -0.000 0.000 0.274 124 E C -1.702 174.607 176.600 -0.484 0.000 0.948 124 E CA -0.646 55.690 56.400 -0.108 0.000 0.802 124 E CB 1.681 31.401 29.700 0.033 0.000 1.137 124 E HN 0.435 nan 8.360 nan 0.000 0.397 125 F N 2.472 122.427 119.950 0.009 0.000 2.310 125 F HA 0.216 4.743 4.527 -0.000 0.000 0.365 125 F C -0.025 175.892 175.800 0.195 0.000 1.080 125 F CA -0.907 57.075 58.000 -0.030 0.000 1.187 125 F CB 0.816 39.648 39.000 -0.281 0.000 1.465 125 F HN 0.381 nan 8.300 nan 0.000 0.496 126 D N 1.357 121.830 120.400 0.121 0.000 2.280 126 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 126 D C 1.006 177.317 176.300 0.017 0.000 1.129 126 D CA -0.085 53.896 54.000 -0.031 0.000 0.848 126 D CB 1.467 42.102 40.800 -0.275 0.000 1.107 126 D HN 0.510 nan 8.370 nan 0.000 0.471 127 T N 0.778 115.407 114.554 0.125 0.000 3.044 127 T HA 0.181 4.531 4.350 -0.000 0.000 0.250 127 T C 0.463 175.232 174.700 0.115 0.000 1.081 127 T CA -0.262 61.876 62.100 0.063 0.000 1.040 127 T CB -0.004 68.889 68.868 0.041 0.000 0.962 127 T HN 0.260 nan 8.240 nan 0.000 0.506 128 F N 2.251 122.198 119.950 -0.005 0.000 2.507 128 F HA 0.596 5.123 4.527 -0.000 0.000 0.328 128 F C 0.351 176.127 175.800 -0.040 0.000 1.136 128 F CA -1.309 56.678 58.000 -0.022 0.000 0.930 128 F CB 1.208 40.191 39.000 -0.029 0.000 1.166 128 F HN 0.003 nan 8.300 nan 0.000 0.436 129 R N 4.371 124.360 120.500 -0.852 0.000 2.488 129 R HA 0.211 4.551 4.340 -0.000 0.000 0.306 129 R C -0.563 175.409 176.300 -0.547 0.000 1.271 129 R CA 0.103 55.855 56.100 -0.580 0.000 1.022 129 R CB -1.712 28.294 30.300 -0.489 0.000 1.054 129 R HN 0.905 nan 8.270 nan 0.000 0.500 130 N N -0.003 118.386 118.700 -0.518 0.000 2.322 130 N HA 0.078 4.818 4.740 -0.000 0.000 0.270 130 N C 1.406 176.443 175.510 -0.788 0.000 1.286 130 N CA 0.200 52.709 53.050 -0.902 0.000 0.948 130 N CB 0.867 38.056 38.487 -2.162 0.000 1.164 130 N HN 0.564 nan 8.380 nan 0.000 0.551 131 S N -0.736 114.536 115.700 -0.713 0.000 2.453 131 S HA -0.104 4.365 4.470 -0.000 0.000 0.231 131 S C 1.299 175.812 174.600 -0.146 0.000 1.005 131 S CA 0.605 58.637 58.200 -0.281 0.000 0.949 131 S CB -0.551 62.598 63.200 -0.086 0.000 0.774 131 S HN 0.819 nan 8.310 nan 0.000 0.510 132 W N 1.609 122.885 121.300 -0.040 0.000 3.003 132 W HA 0.488 5.148 4.660 -0.000 0.000 0.257 132 W C -0.478 176.001 176.519 -0.066 0.000 1.308 132 W CA -0.801 56.511 57.345 -0.056 0.000 1.529 132 W CB -0.438 28.978 29.460 -0.073 0.000 1.115 132 W HN -0.092 nan 8.180 nan 0.000 0.659 133 D N 2.362 122.630 120.400 -0.220 0.000 2.354 133 D HA 0.223 4.863 4.640 -0.000 0.000 0.247 133 D C -1.916 174.286 176.300 -0.162 0.000 1.138 133 D CA -1.122 52.810 54.000 -0.112 0.000 0.958 133 D CB 0.775 41.523 40.800 -0.086 0.000 1.144 133 D HN -0.092 nan 8.370 nan 0.000 0.458 134 P HA 0.382 nan 4.420 nan 0.000 0.285 134 P C -2.758 174.433 177.300 -0.182 0.000 1.285 134 P CA -1.718 61.245 63.100 -0.227 0.000 0.854 134 P CB 0.013 31.538 31.700 -0.290 0.000 1.180 135 P HA 0.105 nan 4.420 nan 0.000 0.268 135 P C -0.437 176.850 177.300 -0.023 0.000 1.204 135 P CA 0.542 63.595 63.100 -0.078 0.000 0.768 135 P CB -0.030 31.633 31.700 -0.062 0.000 0.842 136 N N -0.284 118.415 118.700 -0.002 0.000 4.817 136 N HA -0.083 4.657 4.740 -0.000 0.000 0.356 136 N C -2.892 172.749 175.510 0.217 0.000 1.853 136 N CA -0.541 52.543 53.050 0.056 0.000 2.785 136 N CB -1.922 36.593 38.487 0.046 0.000 0.443 136 N HN 0.254 nan 8.380 nan 0.000 0.727 137 P HA 0.155 nan 4.420 nan 0.000 0.269 137 P C -0.235 177.276 177.300 0.352 0.000 1.209 137 P CA 0.673 63.852 63.100 0.131 0.000 0.776 137 P CB 0.363 31.977 31.700 -0.143 0.000 0.876 138 H N 0.292 119.578 119.070 0.360 0.000 2.928 138 H HA 0.583 5.139 4.556 -0.000 0.000 0.285 138 H C -1.160 174.355 175.328 0.311 0.000 1.438 138 H CA -0.980 55.272 56.048 0.340 0.000 1.176 138 H CB 0.664 30.529 29.762 0.172 0.000 1.864 138 H HN 0.171 nan 8.280 nan 0.000 0.567 139 I N 0.295 121.007 120.570 0.236 0.000 2.509 139 I HA 0.604 4.774 4.170 -0.000 0.000 0.293 139 I C 0.084 176.215 176.117 0.024 0.000 1.020 139 I CA -0.570 60.670 61.300 -0.101 0.000 1.088 139 I CB 2.150 40.040 38.000 -0.184 0.000 1.267 139 I HN 0.833 nan 8.210 nan 0.000 0.430 140 G N 5.733 114.499 108.800 -0.057 0.000 2.692 140 G HA2 0.714 4.674 3.960 -0.000 0.000 0.291 140 G HA3 0.714 4.674 3.960 -0.000 0.000 0.291 140 G C -1.370 173.537 174.900 0.012 0.000 1.423 140 G CA -0.556 44.570 45.100 0.044 0.000 0.843 140 G HN 0.430 nan 8.290 nan 0.000 0.486 141 I N 1.286 121.880 120.570 0.040 0.000 2.354 141 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 141 I C -0.910 175.234 176.117 0.044 0.000 0.989 141 I CA -1.012 60.325 61.300 0.061 0.000 1.188 141 I CB 1.935 39.980 38.000 0.074 0.000 1.342 141 I HN 0.154 nan 8.210 nan 0.000 0.457 142 N N 5.873 124.613 118.700 0.067 0.000 2.524 142 N HA 0.320 5.060 4.740 -0.000 0.000 0.261 142 N C -0.966 174.594 175.510 0.082 0.000 0.998 142 N CA -0.306 52.762 53.050 0.029 0.000 0.915 142 N CB 2.390 40.919 38.487 0.069 0.000 1.187 142 N HN 0.206 nan 8.380 nan 0.000 0.507 143 V N 2.963 122.891 119.914 0.022 0.000 2.257 143 V HA 0.256 4.376 4.120 -0.000 0.000 0.269 143 V C 0.386 176.499 176.094 0.032 0.000 1.040 143 V CA -0.714 61.620 62.300 0.056 0.000 0.813 143 V CB -0.360 31.489 31.823 0.042 0.000 1.065 143 V HN 0.780 nan 8.190 nan 0.000 0.457 144 N N 1.810 120.595 118.700 0.141 0.000 2.741 144 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 144 N C 0.060 175.527 175.510 -0.071 0.000 1.112 144 N CA 1.016 54.171 53.050 0.174 0.000 0.750 144 N CB -0.514 38.036 38.487 0.105 0.000 1.119 144 N HN 0.694 nan 8.380 nan 0.000 0.561 145 S N -1.004 114.398 115.700 -0.496 0.000 2.543 145 S HA 0.404 4.874 4.470 -0.000 0.000 0.274 145 S C 0.133 173.972 174.600 -1.269 0.000 1.149 145 S CA -0.792 56.906 58.200 -0.835 0.000 0.866 145 S CB 1.275 64.226 63.200 -0.415 0.000 1.111 145 S HN 0.244 nan 8.310 nan 0.000 0.457 146 I N 3.012 122.766 120.570 -1.359 0.000 3.083 146 I HA 0.192 4.362 4.170 -0.000 0.000 0.273 146 I C 1.258 176.935 176.117 -0.732 0.000 1.297 146 I CA 0.907 61.588 61.300 -1.032 0.000 1.452 146 I CB -0.384 37.013 38.000 -1.004 0.000 1.078 146 I HN 0.683 nan 8.210 nan 0.000 0.484 147 R N 1.119 121.271 120.500 -0.581 0.000 2.235 147 R HA 0.519 4.859 4.340 -0.000 0.000 0.338 147 R C 0.324 176.519 176.300 -0.175 0.000 1.087 147 R CA -0.159 55.760 56.100 -0.301 0.000 0.948 147 R CB -0.907 29.272 30.300 -0.201 0.000 1.099 147 R HN 0.367 nan 8.270 nan 0.000 0.483 148 S N 1.737 117.389 115.700 -0.080 0.000 2.558 148 S HA 0.026 4.495 4.470 -0.000 0.000 0.291 148 S C 1.766 176.351 174.600 -0.026 0.000 1.306 148 S CA 0.295 58.477 58.200 -0.031 0.000 1.056 148 S CB 0.300 63.526 63.200 0.042 0.000 0.836 148 S HN 0.749 nan 8.310 nan 0.000 0.504 149 I N -0.994 119.566 120.570 -0.017 0.000 3.111 149 I HA 0.305 4.475 4.170 -0.000 0.000 0.272 149 I C 0.560 176.679 176.117 0.003 0.000 1.268 149 I CA 0.693 61.988 61.300 -0.008 0.000 1.467 149 I CB -0.106 37.894 38.000 0.001 0.000 1.087 149 I HN 0.383 nan 8.210 nan 0.000 0.467 150 K N 0.973 121.380 120.400 0.012 0.000 2.622 150 K HA 0.393 4.713 4.320 -0.000 0.000 0.273 150 K C -0.987 175.632 176.600 0.031 0.000 0.957 150 K CA -0.226 56.071 56.287 0.016 0.000 0.861 150 K CB 1.850 34.362 32.500 0.021 0.000 1.405 150 K HN 0.274 nan 8.250 nan 0.000 0.406 151 T N -1.660 112.912 114.554 0.030 0.000 2.812 151 T HA 0.680 5.030 4.350 -0.000 0.000 0.294 151 T C -1.048 173.691 174.700 0.066 0.000 1.159 151 T CA -0.694 61.444 62.100 0.064 0.000 1.008 151 T CB 1.995 70.880 68.868 0.028 0.000 1.289 151 T HN 0.435 nan 8.240 nan 0.000 0.514 152 T N -0.187 114.441 114.554 0.123 0.000 2.942 152 T HA 0.647 4.997 4.350 -0.000 0.000 0.327 152 T C -0.054 174.774 174.700 0.213 0.000 1.360 152 T CA 0.135 62.310 62.100 0.126 0.000 1.055 152 T CB 0.946 69.872 68.868 0.097 0.000 1.261 152 T HN 1.374 nan 8.240 nan 0.000 0.485 153 S N 2.139 117.952 115.700 0.188 0.000 2.573 153 S HA 0.326 4.796 4.470 -0.000 0.000 0.297 153 S C -0.491 174.314 174.600 0.342 0.000 1.280 153 S CA 0.254 58.597 58.200 0.239 0.000 1.061 153 S CB -0.118 63.178 63.200 0.160 0.000 0.812 153 S HN 0.672 nan 8.310 nan 0.000 0.500 154 W N 3.576 124.983 121.300 0.178 0.000 2.471 154 W HA 0.496 5.156 4.660 -0.000 0.000 0.318 154 W C -1.338 175.312 176.519 0.219 0.000 1.034 154 W CA -1.594 55.884 57.345 0.222 0.000 1.224 154 W CB 0.982 30.599 29.460 0.262 0.000 1.335 154 W HN 0.580 nan 8.180 nan 0.000 0.452 155 D N 7.736 128.478 120.400 0.571 0.000 2.994 155 D HA 0.019 4.659 4.640 -0.000 0.000 0.240 155 D C 0.836 177.171 176.300 0.058 0.000 1.195 155 D CA 0.047 54.179 54.000 0.221 0.000 0.957 155 D CB -0.126 40.814 40.800 0.234 0.000 1.105 155 D HN 0.490 nan 8.370 nan 0.000 0.477 156 L N -1.400 119.497 121.223 -0.542 0.000 2.503 156 L HA 0.368 4.708 4.340 -0.000 0.000 0.287 156 L C -0.176 176.545 176.870 -0.249 0.000 1.252 156 L CA -0.027 54.550 54.840 -0.438 0.000 0.835 156 L CB 0.263 41.764 42.059 -0.929 0.000 1.099 156 L HN 0.012 nan 8.230 nan 0.000 0.516 157 A N 2.781 125.410 122.820 -0.319 0.000 2.499 157 A HA 0.290 4.610 4.320 -0.000 0.000 0.280 157 A C -0.227 177.040 177.584 -0.529 0.000 1.135 157 A CA -0.632 51.133 52.037 -0.452 0.000 0.744 157 A CB 0.516 19.032 19.000 -0.806 0.000 1.213 157 A HN 0.944 nan 8.150 nan 0.000 0.434 158 N N 2.063 120.507 118.700 -0.426 0.000 2.395 158 N HA 0.234 4.974 4.740 -0.000 0.000 0.246 158 N C 1.317 176.508 175.510 -0.530 0.000 1.246 158 N CA 1.423 53.996 53.050 -0.795 0.000 0.879 158 N CB 0.247 38.644 38.487 -0.151 0.000 1.098 158 N HN 1.422 nan 8.380 nan 0.000 0.444 159 N N 0.255 118.646 118.700 -0.515 0.000 2.853 159 N HA -0.209 4.531 4.740 -0.000 0.000 0.239 159 N C -0.413 174.994 175.510 -0.171 0.000 0.967 159 N CA 1.894 54.832 53.050 -0.187 0.000 0.973 159 N CB -1.249 37.234 38.487 -0.006 0.000 1.104 159 N HN 0.550 nan 8.380 nan 0.000 0.602 160 K N 0.434 120.697 120.400 -0.229 0.000 2.118 160 K HA 0.606 4.926 4.320 -0.000 0.000 0.267 160 K C 0.169 176.809 176.600 0.066 0.000 0.991 160 K CA -0.564 55.678 56.287 -0.074 0.000 0.916 160 K CB 1.715 34.149 32.500 -0.110 0.000 1.041 160 K HN 0.299 nan 8.250 nan 0.000 0.455 161 V N 2.368 122.322 119.914 0.067 0.000 2.470 161 V HA 0.167 4.287 4.120 -0.000 0.000 0.276 161 V C 0.449 176.501 176.094 -0.071 0.000 1.040 161 V CA -0.502 61.793 62.300 -0.008 0.000 1.008 161 V CB 0.670 32.479 31.823 -0.022 0.000 0.990 161 V HN 0.788 nan 8.190 nan 0.000 0.477 162 A N 5.542 128.087 122.820 -0.459 0.000 2.312 162 A HA 0.680 5.000 4.320 -0.000 0.000 0.326 162 A C -0.143 177.080 177.584 -0.602 0.000 1.172 162 A CA -0.704 50.768 52.037 -0.941 0.000 0.821 162 A CB 0.827 18.906 19.000 -1.536 0.000 1.166 162 A HN 0.787 nan 8.150 nan 0.000 0.493 163 K N 2.138 122.274 120.400 -0.439 0.000 2.244 163 K HA 0.633 4.953 4.320 -0.000 0.000 0.260 163 K C -1.491 174.905 176.600 -0.340 0.000 0.951 163 K CA -0.381 55.721 56.287 -0.307 0.000 0.826 163 K CB 1.442 33.836 32.500 -0.177 0.000 1.108 163 K HN 0.450 nan 8.250 nan 0.000 0.433 164 V N 4.611 124.256 119.914 -0.449 0.000 2.715 164 V HA 0.500 4.620 4.120 -0.000 0.000 0.310 164 V C -1.139 174.755 176.094 -0.334 0.000 1.054 164 V CA -1.043 60.979 62.300 -0.463 0.000 0.928 164 V CB 1.676 33.034 31.823 -0.775 0.000 1.007 164 V HN 0.655 nan 8.190 nan 0.000 0.437 165 L N 5.330 126.457 121.223 -0.160 0.000 2.409 165 L HA 0.704 5.044 4.340 -0.000 0.000 0.272 165 L C -0.979 175.885 176.870 -0.011 0.000 0.980 165 L CA -0.116 54.672 54.840 -0.087 0.000 0.826 165 L CB 1.545 43.563 42.059 -0.068 0.000 1.268 165 L HN 0.562 nan 8.230 nan 0.000 0.407 166 I N 3.781 124.361 120.570 0.016 0.000 2.465 166 I HA 0.631 4.801 4.170 -0.000 0.000 0.291 166 I C -0.482 175.679 176.117 0.072 0.000 1.014 166 I CA -0.328 61.025 61.300 0.088 0.000 1.093 166 I CB 2.343 40.438 38.000 0.157 0.000 1.267 166 I HN 0.715 nan 8.210 nan 0.000 0.431 167 T N 1.786 116.355 114.554 0.026 0.000 2.912 167 T HA 0.512 4.862 4.350 -0.000 0.000 0.299 167 T C -1.236 173.348 174.700 -0.193 0.000 1.052 167 T CA -0.810 61.227 62.100 -0.104 0.000 0.996 167 T CB 1.701 70.503 68.868 -0.111 0.000 1.070 167 T HN 0.403 nan 8.240 nan 0.000 0.465 168 Y N 1.953 121.875 120.300 -0.630 0.000 2.332 168 Y HA 0.475 5.025 4.550 -0.000 0.000 0.326 168 Y C -1.032 174.608 175.900 -0.433 0.000 0.978 168 Y CA -0.952 56.739 58.100 -0.681 0.000 1.205 168 Y CB 1.429 39.111 38.460 -1.298 0.000 1.131 168 Y HN 0.807 nan 8.280 nan 0.000 0.462 169 D N 4.948 124.856 120.400 -0.820 0.000 2.456 169 D HA 0.321 4.960 4.640 -0.000 0.000 0.219 169 D C 0.900 176.752 176.300 -0.747 0.000 1.126 169 D CA 0.390 54.034 54.000 -0.593 0.000 0.890 169 D CB 1.338 41.915 40.800 -0.372 0.000 1.025 169 D HN 0.766 nan 8.370 nan 0.000 0.511 170 A N 3.046 125.589 122.820 -0.461 0.000 1.958 170 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 170 A C 2.188 179.670 177.584 -0.170 0.000 1.178 170 A CA 2.322 54.249 52.037 -0.183 0.000 0.642 170 A CB -0.586 18.442 19.000 0.048 0.000 0.816 170 A HN 0.608 nan 8.150 nan 0.000 0.453 171 S N -0.577 115.020 115.700 -0.172 0.000 2.383 171 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 171 S C 1.763 176.282 174.600 -0.135 0.000 1.026 171 S CA 1.944 60.071 58.200 -0.122 0.000 0.981 171 S CB -1.062 62.075 63.200 -0.104 0.000 0.818 171 S HN 0.793 nan 8.310 nan 0.000 0.472 172 T N -1.845 112.593 114.554 -0.194 0.000 3.060 172 T HA 0.304 4.654 4.350 -0.000 0.000 0.249 172 T C 0.761 175.344 174.700 -0.194 0.000 1.079 172 T CA 0.445 62.443 62.100 -0.169 0.000 1.013 172 T CB -0.409 68.363 68.868 -0.160 0.000 0.975 172 T HN 0.511 nan 8.240 nan 0.000 0.518 173 S N 0.113 115.628 115.700 -0.309 0.000 3.587 173 S HA -0.151 4.319 4.470 -0.000 0.000 0.337 173 S C -0.260 174.174 174.600 -0.276 0.000 1.119 173 S CA 0.453 58.483 58.200 -0.283 0.000 0.976 173 S CB -2.337 60.850 63.200 -0.022 0.000 0.922 173 S HN 0.767 nan 8.310 nan 0.000 0.503 174 L N 1.027 121.985 121.223 -0.442 0.000 2.333 174 L HA 0.825 5.165 4.340 -0.000 0.000 0.280 174 L C -0.521 176.207 176.870 -0.236 0.000 1.004 174 L CA -0.846 53.857 54.840 -0.230 0.000 0.820 174 L CB 1.335 43.303 42.059 -0.152 0.000 1.247 174 L HN 0.247 nan 8.230 nan 0.000 0.416 175 L N 6.241 127.469 121.223 0.009 0.000 2.289 175 L HA 0.732 5.072 4.340 -0.000 0.000 0.285 175 L C -1.086 175.818 176.870 0.057 0.000 1.049 175 L CA -0.088 54.825 54.840 0.123 0.000 0.804 175 L CB 1.645 43.880 42.059 0.295 0.000 1.195 175 L HN 0.469 nan 8.230 nan 0.000 0.428 176 V N 4.483 124.419 119.914 0.036 0.000 2.656 176 V HA 0.891 5.010 4.120 -0.000 0.000 0.307 176 V C -0.288 175.837 176.094 0.050 0.000 1.051 176 V CA -0.415 61.899 62.300 0.024 0.000 0.893 176 V CB 1.505 33.318 31.823 -0.017 0.000 0.999 176 V HN 0.971 nan 8.190 nan 0.000 0.426 177 A N 3.187 126.036 122.820 0.049 0.000 2.343 177 A HA 0.905 5.225 4.320 -0.000 0.000 0.308 177 A C -0.281 177.327 177.584 0.040 0.000 1.092 177 A CA -0.361 51.712 52.037 0.060 0.000 0.751 177 A CB 1.752 20.790 19.000 0.063 0.000 1.203 177 A HN 1.165 nan 8.150 nan 0.000 0.452 178 S N 2.334 118.055 115.700 0.037 0.000 2.538 178 S HA 0.779 5.249 4.470 -0.000 0.000 0.288 178 S C -0.988 173.619 174.600 0.011 0.000 1.108 178 S CA -0.601 57.613 58.200 0.022 0.000 0.971 178 S CB 1.316 64.517 63.200 0.001 0.000 1.041 178 S HN 1.435 nan 8.310 nan 0.000 0.483 179 L N 3.456 124.688 121.223 0.015 0.000 2.410 179 L HA 0.907 5.247 4.340 -0.000 0.000 0.270 179 L C -1.771 175.065 176.870 -0.055 0.000 0.983 179 L CA -0.629 54.183 54.840 -0.046 0.000 0.822 179 L CB 1.784 43.837 42.059 -0.011 0.000 1.285 179 L HN 0.708 nan 8.230 nan 0.000 0.409 180 V N 4.157 123.986 119.914 -0.141 0.000 2.841 180 V HA 0.444 4.564 4.120 -0.000 0.000 0.310 180 V C -1.494 174.515 176.094 -0.142 0.000 1.090 180 V CA -0.425 61.837 62.300 -0.063 0.000 0.930 180 V CB 2.274 34.074 31.823 -0.038 0.000 1.014 180 V HN 0.584 nan 8.190 nan 0.000 0.425 181 Y N 5.523 125.835 120.300 0.021 0.000 2.686 181 Y HA 0.379 4.929 4.550 -0.000 0.000 0.331 181 Y C -1.691 174.211 175.900 0.003 0.000 0.996 181 Y CA -2.156 55.949 58.100 0.008 0.000 1.293 181 Y CB 1.702 40.191 38.460 0.048 0.000 1.092 181 Y HN 0.480 nan 8.280 nan 0.000 0.524 182 P HA -0.211 nan 4.420 nan 0.000 0.215 182 P C 1.657 178.997 177.300 0.066 0.000 1.153 182 P CA 2.299 65.437 63.100 0.063 0.000 0.853 182 P CB 0.273 31.991 31.700 0.029 0.000 0.788 183 S N -0.082 115.665 115.700 0.077 0.000 2.400 183 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 183 S C 1.800 176.421 174.600 0.036 0.000 1.025 183 S CA 1.320 59.548 58.200 0.046 0.000 0.993 183 S CB -0.680 62.541 63.200 0.034 0.000 0.808 183 S HN 0.179 nan 8.310 nan 0.000 0.478 184 Q N -1.447 118.388 119.800 0.058 0.000 2.171 184 Q HA 0.305 4.645 4.340 -0.000 0.000 0.218 184 Q C 0.720 176.753 176.000 0.056 0.000 0.822 184 Q CA 0.608 56.432 55.803 0.035 0.000 0.987 184 Q CB -0.269 28.468 28.738 -0.000 0.000 1.144 184 Q HN 0.783 nan 8.270 nan 0.000 0.494 185 R N 0.375 120.917 120.500 0.070 0.000 3.525 185 R HA -0.142 4.198 4.340 -0.000 0.000 0.276 185 R C 0.055 176.400 176.300 0.075 0.000 1.116 185 R CA 1.479 57.615 56.100 0.061 0.000 0.745 185 R CB -3.273 27.051 30.300 0.039 0.000 1.185 185 R HN 0.249 nan 8.270 nan 0.000 0.454 186 T N 0.135 114.759 114.554 0.116 0.000 2.863 186 T HA 0.820 5.169 4.350 -0.000 0.000 0.285 186 T C -0.234 174.568 174.700 0.170 0.000 1.009 186 T CA 0.304 62.490 62.100 0.144 0.000 0.989 186 T CB 1.575 70.548 68.868 0.176 0.000 1.004 186 T HN 1.440 nan 8.240 nan 0.000 0.455 187 S N 2.717 118.507 115.700 0.151 0.000 2.537 187 S HA 0.687 5.157 4.470 -0.000 0.000 0.270 187 S C -1.492 173.191 174.600 0.139 0.000 1.142 187 S CA -1.177 57.104 58.200 0.134 0.000 0.870 187 S CB 1.247 64.494 63.200 0.078 0.000 1.112 187 S HN 0.696 nan 8.310 nan 0.000 0.466 188 N N 0.554 119.335 118.700 0.136 0.000 2.225 188 N HA 0.775 5.515 4.740 -0.000 0.000 0.298 188 N C -1.385 174.175 175.510 0.083 0.000 1.076 188 N CA -0.745 52.382 53.050 0.129 0.000 0.792 188 N CB 2.255 40.855 38.487 0.187 0.000 1.498 188 N HN 0.790 nan 8.380 nan 0.000 0.474 189 I N 0.866 121.477 120.570 0.069 0.000 3.042 189 I HA 0.685 4.854 4.170 -0.000 0.000 0.310 189 I C -1.900 174.243 176.117 0.042 0.000 1.117 189 I CA -1.070 60.257 61.300 0.045 0.000 1.003 189 I CB 2.026 40.044 38.000 0.031 0.000 1.228 189 I HN 0.483 nan 8.210 nan 0.000 0.443 190 L N 4.500 125.742 121.223 0.031 0.000 2.545 190 L HA 0.687 5.027 4.340 -0.000 0.000 0.258 190 L C -1.619 175.266 176.870 0.025 0.000 0.942 190 L CA -0.011 54.846 54.840 0.029 0.000 0.855 190 L CB 1.922 43.996 42.059 0.024 0.000 1.374 190 L HN 0.693 nan 8.230 nan 0.000 0.411 191 S N 2.184 117.897 115.700 0.022 0.000 2.541 191 S HA 0.954 5.424 4.470 -0.000 0.000 0.271 191 S C -1.444 173.169 174.600 0.020 0.000 1.133 191 S CA -0.605 57.606 58.200 0.019 0.000 0.876 191 S CB 2.454 65.654 63.200 0.001 0.000 1.105 191 S HN 0.826 nan 8.310 nan 0.000 0.470 192 D N -0.012 120.406 120.400 0.029 0.000 2.710 192 D HA 0.432 5.072 4.640 -0.000 0.000 0.276 192 D C -1.059 175.265 176.300 0.041 0.000 1.267 192 D CA -0.339 53.678 54.000 0.029 0.000 0.772 192 D CB 1.970 42.791 40.800 0.035 0.000 1.299 192 D HN 0.866 nan 8.370 nan 0.000 0.421 193 V N -0.508 119.426 119.914 0.035 0.000 2.567 193 V HA 0.844 4.964 4.120 -0.000 0.000 0.289 193 V C -0.084 176.066 176.094 0.093 0.000 1.049 193 V CA -0.521 61.808 62.300 0.049 0.000 0.969 193 V CB 1.284 33.119 31.823 0.019 0.000 0.995 193 V HN 0.315 nan 8.190 nan 0.000 0.471 194 V N 2.800 122.816 119.914 0.169 0.000 2.686 194 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 194 V C -0.933 175.272 176.094 0.185 0.000 1.065 194 V CA -0.336 62.067 62.300 0.172 0.000 0.894 194 V CB 1.897 33.851 31.823 0.217 0.000 1.004 194 V HN 1.056 nan 8.190 nan 0.000 0.424 195 D N 4.069 124.518 120.400 0.081 0.000 2.441 195 D HA 0.309 4.948 4.640 -0.000 0.000 0.221 195 D C 1.209 177.484 176.300 -0.042 0.000 1.156 195 D CA -0.116 53.901 54.000 0.029 0.000 0.896 195 D CB 0.919 41.703 40.800 -0.027 0.000 1.028 195 D HN 0.435 nan 8.370 nan 0.000 0.509 196 L N 3.174 124.360 121.223 -0.062 0.000 2.021 196 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 196 L C 2.274 179.019 176.870 -0.207 0.000 1.074 196 L CA 1.389 56.155 54.840 -0.124 0.000 0.760 196 L CB -0.436 41.556 42.059 -0.113 0.000 0.889 196 L HN 0.433 nan 8.230 nan 0.000 0.433 197 K N -0.120 119.966 120.400 -0.523 0.000 1.978 197 K HA -0.194 4.126 4.320 -0.000 0.000 0.214 197 K C 2.001 178.357 176.600 -0.408 0.000 1.049 197 K CA 2.149 57.837 56.287 -0.999 0.000 0.939 197 K CB -0.685 31.126 32.500 -1.147 0.000 0.721 197 K HN 0.467 nan 8.250 nan 0.000 0.441 198 T N -1.343 113.069 114.554 -0.237 0.000 3.051 198 T HA -0.006 4.344 4.350 -0.000 0.000 0.269 198 T C 1.724 176.421 174.700 -0.005 0.000 1.127 198 T CA 1.308 63.358 62.100 -0.083 0.000 1.107 198 T CB -0.004 68.824 68.868 -0.066 0.000 0.898 198 T HN -0.019 nan 8.240 nan 0.000 0.517 199 S N 0.140 115.842 115.700 0.004 0.000 2.502 199 S HA 0.517 4.987 4.470 -0.000 0.000 0.215 199 S C 0.217 174.883 174.600 0.109 0.000 1.009 199 S CA -0.357 57.877 58.200 0.055 0.000 0.908 199 S CB 0.189 63.416 63.200 0.045 0.000 0.801 199 S HN 0.439 nan 8.310 nan 0.000 0.505 200 L N 0.607 121.939 121.223 0.181 0.000 2.600 200 L HA 0.475 4.815 4.340 -0.000 0.000 0.257 200 L C -2.952 174.184 176.870 0.443 0.000 1.048 200 L CA -2.390 52.598 54.840 0.247 0.000 0.869 200 L CB 1.985 44.170 42.059 0.211 0.000 1.482 200 L HN -0.192 nan 8.230 nan 0.000 0.408 201 P HA 0.213 nan 4.420 nan 0.000 0.279 201 P C -0.256 176.990 177.300 -0.089 0.000 1.252 201 P CA -0.357 62.836 63.100 0.154 0.000 0.811 201 P CB 0.669 32.428 31.700 0.099 0.000 1.035 202 E N -0.076 119.816 120.200 -0.514 0.000 2.160 202 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 202 E C -0.257 176.142 176.600 -0.336 0.000 0.991 202 E CA 1.375 57.268 56.400 -0.845 0.000 0.810 202 E CB -0.115 29.198 29.700 -0.644 0.000 0.742 202 E HN 0.477 nan 8.360 nan 0.000 0.466 203 W N 0.467 121.701 121.300 -0.109 0.000 2.632 203 W HA 0.410 5.070 4.660 -0.000 0.000 0.328 203 W C -0.310 176.189 176.519 -0.033 0.000 1.044 203 W CA -0.781 56.549 57.345 -0.025 0.000 1.225 203 W CB 1.394 30.815 29.460 -0.065 0.000 1.396 203 W HN -0.259 nan 8.180 nan 0.000 0.499 204 V N 0.175 120.194 119.914 0.176 0.000 3.181 204 V HA 0.720 4.839 4.120 -0.000 0.000 0.308 204 V C -0.799 175.310 176.094 0.025 0.000 1.214 204 V CA -1.761 60.577 62.300 0.062 0.000 1.053 204 V CB 2.299 34.112 31.823 -0.017 0.000 1.069 204 V HN 0.581 nan 8.190 nan 0.000 0.441 205 R N 1.343 121.809 120.500 -0.057 0.000 2.740 205 R HA 0.781 5.121 4.340 -0.000 0.000 0.282 205 R C -0.936 175.180 176.300 -0.306 0.000 0.969 205 R CA -0.673 55.361 56.100 -0.111 0.000 0.918 205 R CB 2.249 32.510 30.300 -0.065 0.000 1.175 205 R HN 0.963 nan 8.270 nan 0.000 0.464 206 I N -1.762 118.589 120.570 -0.364 0.000 2.693 206 I HA 0.935 5.105 4.170 -0.000 0.000 0.303 206 I C -0.020 175.730 176.117 -0.613 0.000 1.025 206 I CA -0.724 60.172 61.300 -0.675 0.000 1.086 206 I CB 2.404 40.030 38.000 -0.623 0.000 1.268 206 I HN 0.705 nan 8.210 nan 0.000 0.440 207 G N 2.841 110.922 108.800 -1.199 0.000 2.341 207 G HA2 0.524 4.484 3.960 -0.000 0.000 0.299 207 G HA3 0.524 4.484 3.960 -0.000 0.000 0.299 207 G C -2.090 172.092 174.900 -1.196 0.000 1.274 207 G CA -0.759 43.786 45.100 -0.925 0.000 0.853 207 G HN 0.533 nan 8.290 nan 0.000 0.493 208 F N 0.127 119.899 119.950 -0.296 0.000 2.546 208 F HA 0.825 5.352 4.527 -0.000 0.000 0.320 208 F C 0.570 176.458 175.800 0.147 0.000 1.076 208 F CA -0.715 57.219 58.000 -0.110 0.000 0.928 208 F CB 2.688 41.491 39.000 -0.329 0.000 1.189 208 F HN 0.475 nan 8.300 nan 0.000 0.465 209 S N 1.219 117.096 115.700 0.295 0.000 2.548 209 S HA 0.933 5.403 4.470 -0.000 0.000 0.286 209 S C -1.430 173.167 174.600 -0.006 0.000 1.098 209 S CA -0.397 57.852 58.200 0.081 0.000 0.930 209 S CB 1.536 64.647 63.200 -0.149 0.000 1.070 209 S HN 0.976 nan 8.310 nan 0.000 0.480 210 A N 1.762 124.557 122.820 -0.042 0.000 2.555 210 A HA 0.848 5.167 4.320 -0.000 0.000 0.297 210 A C -1.008 176.541 177.584 -0.059 0.000 1.060 210 A CA -0.194 51.763 52.037 -0.134 0.000 0.710 210 A CB 1.031 19.915 19.000 -0.194 0.000 1.282 210 A HN 1.402 nan 8.150 nan 0.000 0.399 211 A N 1.081 123.851 122.820 -0.084 0.000 2.435 211 A HA 0.952 5.272 4.320 -0.000 0.000 0.304 211 A C 0.127 177.790 177.584 0.131 0.000 1.064 211 A CA 0.046 52.116 52.037 0.054 0.000 0.727 211 A CB 1.135 20.184 19.000 0.083 0.000 1.284 211 A HN 1.753 nan 8.150 nan 0.000 0.415 212 T N -0.412 114.231 114.554 0.149 0.000 2.936 212 T HA 0.677 5.027 4.350 -0.000 0.000 0.282 212 T C 0.758 175.502 174.700 0.074 0.000 1.003 212 T CA -0.026 62.158 62.100 0.141 0.000 1.005 212 T CB 1.136 70.070 68.868 0.110 0.000 1.097 212 T HN 1.352 nan 8.240 nan 0.000 0.532 213 G N 0.245 109.059 108.800 0.022 0.000 2.491 213 G HA2 0.301 4.261 3.960 -0.000 0.000 0.238 213 G HA3 0.301 4.261 3.960 -0.000 0.000 0.238 213 G C 0.723 175.612 174.900 -0.019 0.000 1.277 213 G CA -0.587 44.475 45.100 -0.063 0.000 0.851 213 G HN 0.595 nan 8.290 nan 0.000 0.573 214 L N 1.127 122.324 121.223 -0.045 0.000 1.955 214 L HA -0.071 4.268 4.340 -0.000 0.000 0.213 214 L C 2.384 179.260 176.870 0.010 0.000 1.072 214 L CA 2.597 57.453 54.840 0.026 0.000 0.755 214 L CB -0.566 41.495 42.059 0.003 0.000 0.888 214 L HN 0.756 nan 8.230 nan 0.000 0.432 215 D N -1.174 119.212 120.400 -0.023 0.000 2.349 215 D HA 0.080 4.720 4.640 -0.000 0.000 0.214 215 D C 0.712 177.004 176.300 -0.013 0.000 1.063 215 D CA 0.147 54.141 54.000 -0.011 0.000 0.847 215 D CB 0.123 40.917 40.800 -0.010 0.000 0.933 215 D HN 0.487 nan 8.370 nan 0.000 0.513 216 I N -3.955 116.600 120.570 -0.026 0.000 3.108 216 I HA 0.406 4.576 4.170 -0.000 0.000 0.312 216 I C -2.308 173.805 176.117 -0.006 0.000 1.095 216 I CA -2.706 58.585 61.300 -0.015 0.000 1.000 216 I CB 2.191 40.179 38.000 -0.019 0.000 1.229 216 I HN -0.464 nan 8.210 nan 0.000 0.454 217 P HA 0.079 nan 4.420 nan 0.000 0.219 217 P C 1.163 178.467 177.300 0.007 0.000 1.154 217 P CA 1.775 64.881 63.100 0.010 0.000 0.826 217 P CB 0.251 31.956 31.700 0.009 0.000 0.795 218 G N 1.057 109.852 108.800 -0.009 0.000 2.793 218 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.334 218 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.334 218 G C -0.099 174.774 174.900 -0.045 0.000 1.186 218 G CA 1.087 46.181 45.100 -0.010 0.000 0.960 218 G HN 0.652 nan 8.290 nan 0.000 0.562 219 E N 0.454 120.631 120.200 -0.039 0.000 2.372 219 E HA 0.557 4.907 4.350 -0.000 0.000 0.279 219 E C -0.173 176.278 176.600 -0.249 0.000 0.946 219 E CA -0.026 56.305 56.400 -0.115 0.000 0.769 219 E CB 1.210 30.837 29.700 -0.122 0.000 1.230 219 E HN 1.157 nan 8.360 nan 0.000 0.442 220 S N 1.414 117.043 115.700 -0.117 0.000 2.624 220 S HA 0.460 4.929 4.470 -0.000 0.000 0.263 220 S C -0.498 173.898 174.600 -0.340 0.000 1.287 220 S CA -0.471 57.667 58.200 -0.103 0.000 0.990 220 S CB 0.176 63.440 63.200 0.106 0.000 0.950 220 S HN 0.616 nan 8.310 nan 0.000 0.561 221 H N -0.260 118.931 119.070 0.201 0.000 3.092 221 H HA 0.474 5.030 4.556 -0.000 0.000 0.308 221 H C -1.667 173.725 175.328 0.106 0.000 1.047 221 H CA -0.695 55.475 56.048 0.203 0.000 1.466 221 H CB 0.716 30.551 29.762 0.122 0.000 1.597 221 H HN 0.508 nan 8.280 nan 0.000 0.512 222 D N 2.456 122.990 120.400 0.223 0.000 2.217 222 D HA 0.297 4.936 4.640 -0.000 0.000 0.243 222 D C -0.228 176.123 176.300 0.086 0.000 1.054 222 D CA -0.638 53.420 54.000 0.097 0.000 0.838 222 D CB 2.370 43.222 40.800 0.086 0.000 1.162 222 D HN 0.174 nan 8.370 nan 0.000 0.472 223 V N 3.207 123.052 119.914 -0.116 0.000 2.370 223 V HA 0.161 4.281 4.120 -0.000 0.000 0.279 223 V C 1.302 177.469 176.094 0.121 0.000 1.029 223 V CA -0.427 61.788 62.300 -0.142 0.000 0.870 223 V CB 1.298 32.678 31.823 -0.739 0.000 0.984 223 V HN 0.511 nan 8.190 nan 0.000 0.451 224 L N 3.299 124.695 121.223 0.289 0.000 2.202 224 L HA 0.190 4.530 4.340 -0.000 0.000 0.205 224 L C 1.013 178.170 176.870 0.478 0.000 1.083 224 L CA 0.745 55.800 54.840 0.359 0.000 0.790 224 L CB 0.107 42.307 42.059 0.235 0.000 0.942 224 L HN 0.800 nan 8.230 nan 0.000 0.452 225 S N -2.455 113.524 115.700 0.465 0.000 2.625 225 S HA 0.563 5.033 4.470 -0.000 0.000 0.271 225 S C -2.073 172.833 174.600 0.509 0.000 1.161 225 S CA -0.689 57.727 58.200 0.360 0.000 0.820 225 S CB 2.656 66.007 63.200 0.252 0.000 1.137 225 S HN 0.158 nan 8.310 nan 0.000 0.470 226 W N 0.737 122.103 121.300 0.111 0.000 3.707 226 W HA 0.717 5.377 4.660 -0.000 0.000 0.294 226 W C -1.822 174.586 176.519 -0.186 0.000 1.248 226 W CA -0.292 57.131 57.345 0.129 0.000 1.217 226 W CB 1.473 31.119 29.460 0.310 0.000 1.306 226 W HN 0.856 nan 8.180 nan 0.000 0.532 227 S N 4.551 120.215 115.700 -0.061 0.000 2.541 227 S HA 0.828 5.298 4.470 -0.000 0.000 0.280 227 S C -2.006 172.188 174.600 -0.677 0.000 1.112 227 S CA -0.457 57.388 58.200 -0.591 0.000 0.925 227 S CB 1.698 64.703 63.200 -0.325 0.000 1.067 227 S HN 0.329 nan 8.310 nan 0.000 0.479 228 F N 1.611 120.802 119.950 -1.264 0.000 2.628 228 F HA 0.728 5.254 4.527 -0.000 0.000 0.309 228 F C -1.264 174.164 175.800 -0.619 0.000 1.108 228 F CA -0.228 57.220 58.000 -0.920 0.000 0.971 228 F CB 1.257 39.538 39.000 -1.199 0.000 1.279 228 F HN 0.719 nan 8.300 nan 0.000 0.441 229 A N 3.253 125.372 122.820 -1.168 0.000 2.486 229 A HA 0.804 5.124 4.320 -0.000 0.000 0.300 229 A C -1.483 175.585 177.584 -0.859 0.000 1.048 229 A CA -0.465 51.115 52.037 -0.762 0.000 0.696 229 A CB 1.916 20.663 19.000 -0.422 0.000 1.278 229 A HN 0.862 nan 8.150 nan 0.000 0.405 230 S N 0.971 116.429 115.700 -0.404 0.000 2.541 230 S HA 0.678 5.148 4.470 -0.000 0.000 0.271 230 S C -1.639 172.932 174.600 -0.048 0.000 1.133 230 S CA -0.666 57.432 58.200 -0.170 0.000 0.876 230 S CB 1.481 64.709 63.200 0.047 0.000 1.105 230 S HN 0.820 nan 8.310 nan 0.000 0.470 231 N N 2.288 120.981 118.700 -0.011 0.000 2.258 231 N HA 0.601 5.341 4.740 -0.000 0.000 0.299 231 N C -1.993 173.523 175.510 0.010 0.000 1.047 231 N CA -0.436 52.611 53.050 -0.004 0.000 0.814 231 N CB 1.713 40.187 38.487 -0.022 0.000 1.413 231 N HN 0.588 nan 8.380 nan 0.000 0.478 232 L N 5.164 126.381 121.223 -0.010 0.000 2.406 232 L HA 0.719 5.059 4.340 -0.000 0.000 0.272 232 L C -2.742 174.113 176.870 -0.026 0.000 0.980 232 L CA -1.451 53.367 54.840 -0.037 0.000 0.831 232 L CB 2.138 44.119 42.059 -0.129 0.000 1.253 232 L HN 0.414 nan 8.230 nan 0.000 0.406 233 P HA 0.415 nan 4.420 nan 0.000 0.284 233 P C -0.629 176.672 177.300 0.000 0.000 1.287 233 P CA -0.154 62.943 63.100 -0.005 0.000 0.824 233 P CB 0.496 32.194 31.700 -0.004 0.000 1.180 234 H N 0.000 119.075 119.070 0.008 0.000 2.539 234 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 234 H CA 0.000 56.058 56.048 0.016 0.000 1.023 234 H CB 0.000 29.772 29.762 0.017 0.000 1.292 234 H HN 0.000 nan 8.280 nan 0.000 0.496