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 1nu7_1_B DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETWKGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF G 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.153 176.117 0.059 0.000 1.063 16 I CA 0.000 61.337 61.300 0.062 0.000 1.566 16 I CB 0.000 38.017 38.000 0.028 0.000 1.214 17 V N 4.990 124.947 119.914 0.071 0.000 2.427 17 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 17 V C 0.833 176.966 176.094 0.066 0.000 1.034 17 V CA -0.310 62.030 62.300 0.066 0.000 0.893 17 V CB 1.324 33.189 31.823 0.070 0.000 0.982 17 V HN 0.936 nan 8.190 nan 0.000 0.452 18 E N 2.226 122.456 120.200 0.051 0.000 2.637 18 E HA -0.178 4.172 4.350 -0.000 0.000 0.265 18 E C 0.406 177.033 176.600 0.045 0.000 1.073 18 E CA 0.942 57.368 56.400 0.045 0.000 0.778 18 E CB -1.098 28.633 29.700 0.052 0.000 1.362 18 E HN 1.046 nan 8.360 nan 0.000 0.413 19 G N -1.069 107.752 108.800 0.035 0.000 2.857 19 G HA2 0.765 4.725 3.960 -0.000 0.000 0.217 19 G HA3 0.765 4.725 3.960 -0.000 0.000 0.217 19 G C -0.285 174.619 174.900 0.006 0.000 1.357 19 G CA 0.044 45.158 45.100 0.024 0.000 1.033 19 G HN 0.733 nan 8.290 nan 0.000 0.571 20 S N -1.373 114.321 115.700 -0.011 0.000 2.671 20 S HA 0.485 4.955 4.470 -0.000 0.000 0.277 20 S C -1.717 172.861 174.600 -0.037 0.000 1.165 20 S CA -0.814 57.377 58.200 -0.015 0.000 0.822 20 S CB 1.757 64.954 63.200 -0.005 0.000 1.150 20 S HN 0.341 nan 8.310 nan 0.000 0.479 21 D N 1.703 122.086 120.400 -0.029 0.000 2.493 21 D HA 0.494 5.133 4.640 -0.000 0.000 0.240 21 D C 0.526 176.809 176.300 -0.029 0.000 1.142 21 D CA 0.618 54.595 54.000 -0.039 0.000 0.872 21 D CB 0.686 41.485 40.800 -0.002 0.000 1.173 21 D HN 0.867 nan 8.370 nan 0.000 0.467 22 A N 2.942 125.729 122.820 -0.055 0.000 2.351 22 A HA 0.230 4.550 4.320 -0.000 0.000 0.257 22 A C 0.425 178.063 177.584 0.091 0.000 1.087 22 A CA -0.421 51.597 52.037 -0.031 0.000 0.798 22 A CB 0.326 19.261 19.000 -0.108 0.000 1.033 22 A HN 0.554 nan 8.150 nan 0.000 0.488 23 E N 0.314 120.521 120.200 0.012 0.000 2.343 23 E HA 0.307 4.656 4.350 -0.000 0.000 0.269 23 E C -0.774 175.793 176.600 -0.055 0.000 1.047 23 E CA -0.546 55.847 56.400 -0.011 0.000 0.874 23 E CB 0.750 30.419 29.700 -0.051 0.000 1.033 23 E HN 0.490 nan 8.360 nan 0.000 0.409 24 I N 2.255 122.713 120.570 -0.186 0.000 2.821 24 I HA -0.038 4.132 4.170 -0.000 0.000 0.294 24 I C 1.445 177.484 176.117 -0.129 0.000 1.210 24 I CA 1.483 62.619 61.300 -0.273 0.000 1.430 24 I CB -0.301 37.530 38.000 -0.283 0.000 1.356 24 I HN 0.826 nan 8.210 nan 0.000 0.563 25 G N 5.082 113.836 108.800 -0.077 0.000 2.155 25 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.257 25 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.257 25 G C 0.975 175.694 174.900 -0.302 0.000 0.983 25 G CA 0.532 45.529 45.100 -0.171 0.000 0.676 25 G HN 0.697 nan 8.290 nan 0.000 0.528 26 M N -0.124 119.307 119.600 -0.280 0.000 2.476 26 M HA 0.331 4.811 4.480 -0.000 0.000 0.262 26 M C 1.180 177.105 176.300 -0.624 0.000 1.079 26 M CA 1.854 56.936 55.300 -0.364 0.000 1.104 26 M CB 0.308 32.762 32.600 -0.243 0.000 1.409 26 M HN 0.340 nan 8.290 nan 0.000 0.467 27 S N 0.772 116.064 115.700 -0.681 0.000 2.512 27 S HA 0.331 4.801 4.470 -0.000 0.000 0.161 27 S C -1.983 172.009 174.600 -1.014 0.000 1.383 27 S CA -1.115 56.443 58.200 -1.070 0.000 1.248 27 S CB 0.611 63.446 63.200 -0.609 0.000 1.488 27 S HN 0.259 nan 8.310 nan 0.000 0.382 28 P HA -0.031 nan 4.420 nan 0.000 0.226 28 P C 0.754 177.903 177.300 -0.253 0.000 1.146 28 P CA 0.710 63.522 63.100 -0.481 0.000 0.773 28 P CB -0.319 31.168 31.700 -0.355 0.000 0.772 29 W N -1.092 120.212 121.300 0.006 0.000 3.290 29 W HA 0.437 5.096 4.660 -0.001 0.000 0.287 29 W C 0.583 177.146 176.519 0.073 0.000 1.288 29 W CA -0.759 56.605 57.345 0.032 0.000 1.725 29 W CB -1.497 27.969 29.460 0.010 0.000 1.103 29 W HN -0.166 nan 8.180 nan 0.000 0.670 30 Q N 2.023 121.854 119.800 0.052 0.000 2.300 30 Q HA 0.274 4.613 4.340 -0.000 0.000 0.280 30 Q C -0.646 175.509 176.000 0.258 0.000 1.033 30 Q CA 0.406 56.307 55.803 0.165 0.000 0.903 30 Q CB 0.827 29.586 28.738 0.036 0.000 1.195 30 Q HN 0.129 nan 8.270 nan 0.000 0.386 31 V N 4.972 125.062 119.914 0.294 0.000 2.823 31 V HA 0.460 4.580 4.120 -0.000 0.000 0.312 31 V C -0.418 175.846 176.094 0.283 0.000 1.072 31 V CA -0.841 61.616 62.300 0.261 0.000 0.937 31 V CB 2.135 34.088 31.823 0.215 0.000 1.013 31 V HN 0.845 nan 8.190 nan 0.000 0.430 32 M N 3.854 123.570 119.600 0.194 0.000 2.149 32 M HA 0.504 4.984 4.480 -0.000 0.000 0.342 32 M C -1.328 175.057 176.300 0.142 0.000 1.068 32 M CA -0.848 54.535 55.300 0.138 0.000 0.991 32 M CB 1.438 33.997 32.600 -0.067 0.000 1.596 32 M HN 0.540 nan 8.290 nan 0.000 0.439 33 L N 5.660 126.977 121.223 0.157 0.000 2.265 33 L HA 0.493 4.832 4.340 -0.000 0.000 0.288 33 L C -1.759 175.220 176.870 0.182 0.000 1.058 33 L CA 0.267 55.192 54.840 0.141 0.000 0.809 33 L CB 0.564 42.680 42.059 0.095 0.000 1.179 33 L HN 0.546 nan 8.230 nan 0.000 0.429 34 F N 5.261 125.205 119.950 -0.010 0.000 2.493 34 F HA 0.549 5.076 4.527 -0.000 0.000 0.329 34 F C 0.398 176.185 175.800 -0.022 0.000 1.126 34 F CA -0.591 57.393 58.000 -0.026 0.000 0.937 34 F CB 1.099 40.075 39.000 -0.040 0.000 1.146 34 F HN 0.611 nan 8.300 nan 0.000 0.442 35 R N 2.010 122.271 120.500 -0.398 0.000 2.611 35 R HA 0.347 4.687 4.340 -0.000 0.000 0.243 35 R C -0.251 175.884 176.300 -0.275 0.000 1.260 35 R CA -0.395 55.547 56.100 -0.263 0.000 1.095 35 R CB 0.759 30.900 30.300 -0.265 0.000 1.259 35 R HN 0.616 nan 8.270 nan 0.000 0.575 36 S N 1.529 117.196 115.700 -0.055 0.000 2.488 36 S HA 0.185 4.655 4.470 -0.000 0.000 0.278 36 S C -1.936 172.625 174.600 -0.064 0.000 1.259 36 S CA -1.426 56.744 58.200 -0.051 0.000 1.061 36 S CB 0.326 63.512 63.200 -0.024 0.000 0.910 36 S HN 0.393 nan 8.310 nan 0.000 0.491 37 P HA 0.099 nan 4.420 nan 0.000 0.271 37 P C -0.636 176.584 177.300 -0.133 0.000 1.220 37 P CA -0.326 62.729 63.100 -0.075 0.000 0.768 37 P CB 0.360 32.021 31.700 -0.064 0.000 0.848 38 Q N 1.686 121.417 119.800 -0.115 0.000 2.368 38 Q HA -0.023 4.316 4.340 -0.000 0.000 0.331 38 Q C 0.164 175.931 176.000 -0.388 0.000 1.086 38 Q CA 1.262 56.928 55.803 -0.227 0.000 1.031 38 Q CB 0.313 29.072 28.738 0.035 0.000 1.125 38 Q HN 0.512 nan 8.270 nan 0.000 0.389 39 E N 2.510 122.196 120.200 -0.856 0.000 2.451 39 E HA 0.154 4.504 4.350 -0.000 0.000 0.295 39 E C -1.685 174.457 176.600 -0.762 0.000 0.966 39 E CA -0.465 55.585 56.400 -0.583 0.000 0.808 39 E CB 1.205 30.714 29.700 -0.318 0.000 1.242 39 E HN 0.549 nan 8.360 nan 0.000 0.412 40 L N 6.759 127.797 121.223 -0.308 0.000 2.385 40 L HA 0.185 4.525 4.340 -0.000 0.000 0.281 40 L C 0.582 177.416 176.870 -0.061 0.000 1.106 40 L CA 0.068 54.879 54.840 -0.049 0.000 0.856 40 L CB 0.317 42.420 42.059 0.073 0.000 1.186 40 L HN 0.794 nan 8.230 nan 0.000 0.453 41 L N 4.658 125.851 121.223 -0.051 0.000 2.145 41 L HA 0.088 4.428 4.340 -0.000 0.000 0.201 41 L C 0.552 177.446 176.870 0.041 0.000 1.075 41 L CA 0.508 55.335 54.840 -0.021 0.000 0.773 41 L CB 0.084 42.120 42.059 -0.038 0.000 0.936 41 L HN 0.601 nan 8.230 nan 0.000 0.451 42 c N -2.268 116.377 118.600 0.076 0.000 3.284 42 c HA 0.608 5.178 4.570 -0.000 0.000 0.348 42 c C 0.374 174.558 174.090 0.157 0.000 1.448 42 c CA -0.981 55.408 56.329 0.100 0.000 1.223 42 c CB 0.943 43.475 42.510 0.038 0.000 1.588 42 c HN 0.418 nan 8.230 nan 0.000 0.451 43 G N -0.085 108.820 108.800 0.175 0.000 2.531 43 G HA2 0.889 4.848 3.960 -0.000 0.000 0.313 43 G HA3 0.889 4.848 3.960 -0.000 0.000 0.313 43 G C -0.692 174.319 174.900 0.185 0.000 1.238 43 G CA 0.395 45.632 45.100 0.228 0.000 0.994 43 G HN 1.692 nan 8.290 nan 0.000 0.493 44 A N -1.146 121.803 122.820 0.214 0.000 2.483 44 A HA 0.817 5.137 4.320 -0.000 0.000 0.294 44 A C -0.480 177.245 177.584 0.236 0.000 1.077 44 A CA 0.182 52.339 52.037 0.199 0.000 0.633 44 A CB 0.923 20.030 19.000 0.180 0.000 1.318 44 A HN 2.123 nan 8.150 nan 0.000 0.455 45 S N -0.269 115.571 115.700 0.234 0.000 2.549 45 S HA 0.725 5.194 4.470 -0.000 0.000 0.280 45 S C -1.037 173.712 174.600 0.249 0.000 1.109 45 S CA -0.657 57.703 58.200 0.266 0.000 0.905 45 S CB 1.483 64.827 63.200 0.241 0.000 1.081 45 S HN 1.123 nan 8.310 nan 0.000 0.477 46 L N 3.483 124.873 121.223 0.279 0.000 2.281 46 L HA 0.468 4.808 4.340 -0.000 0.000 0.285 46 L C 0.539 177.529 176.870 0.199 0.000 1.074 46 L CA -0.555 54.435 54.840 0.250 0.000 0.817 46 L CB 0.971 43.187 42.059 0.261 0.000 1.168 46 L HN 0.969 nan 8.230 nan 0.000 0.434 47 I N 0.812 121.502 120.570 0.199 0.000 4.082 47 I HA 0.263 4.433 4.170 -0.000 0.000 0.337 47 I C 0.294 176.508 176.117 0.163 0.000 1.352 47 I CA -0.100 61.282 61.300 0.138 0.000 1.097 47 I CB 0.581 38.657 38.000 0.127 0.000 1.048 47 I HN 0.549 nan 8.210 nan 0.000 0.393 48 S N 0.445 116.298 115.700 0.256 0.000 2.663 48 S HA 0.111 4.580 4.470 -0.000 0.000 0.264 48 S C -0.132 174.711 174.600 0.405 0.000 1.112 48 S CA -0.021 58.377 58.200 0.330 0.000 0.823 48 S CB 0.696 64.086 63.200 0.317 0.000 1.111 48 S HN 0.275 nan 8.310 nan 0.000 0.476 49 D N -0.030 120.584 120.400 0.358 0.000 2.371 49 D HA 0.031 4.671 4.640 -0.000 0.000 0.221 49 D C 1.124 177.455 176.300 0.053 0.000 0.986 49 D CA 0.513 54.578 54.000 0.110 0.000 0.899 49 D CB -0.086 40.563 40.800 -0.250 0.000 0.902 49 D HN 0.425 nan 8.370 nan 0.000 0.530 50 R N -1.632 118.919 120.500 0.085 0.000 2.517 50 R HA 0.159 4.499 4.340 -0.000 0.000 0.265 50 R C -0.597 175.525 176.300 -0.297 0.000 0.921 50 R CA -0.105 55.920 56.100 -0.125 0.000 1.054 50 R CB 0.601 30.784 30.300 -0.196 0.000 1.340 50 R HN 0.095 nan 8.270 nan 0.000 0.551 51 W N 0.356 121.714 121.300 0.097 0.000 2.736 51 W HA 0.531 5.191 4.660 -0.001 0.000 0.335 51 W C -0.482 176.106 176.519 0.115 0.000 1.059 51 W CA -0.657 56.746 57.345 0.096 0.000 1.226 51 W CB 1.690 31.189 29.460 0.066 0.000 1.416 51 W HN -0.416 nan 8.180 nan 0.000 0.505 52 V N 4.082 124.212 119.914 0.360 0.000 2.638 52 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 52 V C -1.025 175.246 176.094 0.295 0.000 1.052 52 V CA -1.041 61.425 62.300 0.277 0.000 0.885 52 V CB 1.673 33.616 31.823 0.200 0.000 0.999 52 V HN 0.352 nan 8.190 nan 0.000 0.424 53 L N 3.985 125.361 121.223 0.255 0.000 2.322 53 L HA 0.905 5.244 4.340 -0.000 0.000 0.279 53 L C 0.040 177.034 176.870 0.207 0.000 1.036 53 L CA 0.932 55.918 54.840 0.243 0.000 0.807 53 L CB 1.872 44.062 42.059 0.220 0.000 1.226 53 L HN 0.899 nan 8.230 nan 0.000 0.433 54 T N 2.537 117.202 114.554 0.186 0.000 2.648 54 T HA 0.801 5.151 4.350 -0.000 0.000 0.304 54 T C -1.438 173.305 174.700 0.073 0.000 1.312 54 T CA -0.018 62.157 62.100 0.125 0.000 1.023 54 T CB 1.009 69.935 68.868 0.097 0.000 1.612 54 T HN 0.851 nan 8.240 nan 0.000 0.487 55 A N 0.524 123.331 122.820 -0.021 0.000 2.304 55 A HA 0.755 5.075 4.320 -0.000 0.000 0.301 55 A C 1.469 178.926 177.584 -0.212 0.000 1.132 55 A CA 0.267 52.238 52.037 -0.109 0.000 0.819 55 A CB 0.386 19.266 19.000 -0.199 0.000 1.094 55 A HN 1.220 nan 8.150 nan 0.000 0.492 56 A N 0.992 123.631 122.820 -0.302 0.000 1.902 56 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 56 A C 1.812 179.157 177.584 -0.399 0.000 1.181 56 A CA 1.782 53.519 52.037 -0.499 0.000 0.623 56 A CB -1.114 17.171 19.000 -1.192 0.000 0.818 56 A HN 1.122 nan 8.150 nan 0.000 0.443 57 H N -1.608 117.301 119.070 -0.269 0.000 2.543 57 H HA -0.088 4.468 4.556 -0.001 0.000 0.286 57 H C 1.589 176.927 175.328 0.017 0.000 1.037 57 H CA 1.345 57.407 56.048 0.024 0.000 1.250 57 H CB -0.572 29.286 29.762 0.160 0.000 1.373 57 H HN 0.426 nan 8.280 nan 0.000 0.580 58 c N 1.101 119.485 118.600 -0.360 0.000 2.514 58 c HA 0.256 4.825 4.570 -0.000 0.000 0.271 58 c C 1.402 175.449 174.090 -0.071 0.000 1.399 58 c CA -0.274 55.933 56.329 -0.204 0.000 1.765 58 c CB -0.652 41.727 42.510 -0.218 0.000 1.893 58 c HN 0.349 nan 8.230 nan 0.000 0.531 59 L N 0.273 121.457 121.223 -0.066 0.000 2.332 59 L HA 0.473 4.813 4.340 -0.000 0.000 0.269 59 L C 0.690 177.550 176.870 -0.017 0.000 1.016 59 L CA -0.100 54.721 54.840 -0.033 0.000 0.809 59 L CB 1.247 43.291 42.059 -0.025 0.000 1.280 59 L HN 0.111 nan 8.230 nan 0.000 0.447 60 T N -3.295 111.238 114.554 -0.036 0.000 2.923 60 T HA 0.273 4.623 4.350 -0.000 0.000 0.281 60 T C 0.764 175.440 174.700 -0.040 0.000 0.995 60 T CA -0.564 61.511 62.100 -0.042 0.000 0.985 60 T CB 1.489 70.332 68.868 -0.042 0.000 1.114 60 T HN 0.554 nan 8.240 nan 0.000 0.548 61 E N 0.920 121.089 120.200 -0.051 0.000 2.070 61 E HA -0.150 4.199 4.350 -0.000 0.000 0.197 61 E C 1.965 178.547 176.600 -0.031 0.000 1.004 61 E CA 1.716 58.088 56.400 -0.046 0.000 0.805 61 E CB -0.356 29.305 29.700 -0.065 0.000 0.744 61 E HN 0.591 nan 8.360 nan 0.000 0.451 62 N N 0.972 119.654 118.700 -0.031 0.000 2.453 62 N HA -0.106 4.633 4.740 -0.000 0.000 0.183 62 N C 0.491 175.992 175.510 -0.016 0.000 1.041 62 N CA 0.879 53.916 53.050 -0.022 0.000 0.900 62 N CB -0.072 38.401 38.487 -0.024 0.000 0.961 62 N HN 0.228 nan 8.380 nan 0.000 0.443 63 D N 0.185 120.574 120.400 -0.019 0.000 2.347 63 D HA 0.099 4.738 4.640 -0.000 0.000 0.213 63 D C 0.684 176.979 176.300 -0.009 0.000 0.985 63 D CA 0.391 54.380 54.000 -0.020 0.000 0.879 63 D CB 0.656 41.438 40.800 -0.031 0.000 0.919 63 D HN 0.252 nan 8.370 nan 0.000 0.526 64 L N -0.146 121.080 121.223 0.005 0.000 2.283 64 L HA 0.570 4.910 4.340 -0.000 0.000 0.259 64 L C -0.769 176.135 176.870 0.057 0.000 1.027 64 L CA -1.308 53.551 54.840 0.032 0.000 0.828 64 L CB 1.699 43.773 42.059 0.025 0.000 1.380 64 L HN -0.224 nan 8.230 nan 0.000 0.425 65 L N -1.344 119.941 121.223 0.104 0.000 2.491 65 L HA 0.856 5.196 4.340 -0.000 0.000 0.254 65 L C -1.157 175.776 176.870 0.105 0.000 1.048 65 L CA -0.790 54.104 54.840 0.090 0.000 0.855 65 L CB 1.651 43.758 42.059 0.080 0.000 1.466 65 L HN 0.201 nan 8.230 nan 0.000 0.409 66 V N 0.710 120.664 119.914 0.067 0.000 2.604 66 V HA 0.685 4.805 4.120 -0.000 0.000 0.305 66 V C -0.508 175.608 176.094 0.036 0.000 1.043 66 V CA -0.457 61.886 62.300 0.071 0.000 0.888 66 V CB 1.967 33.834 31.823 0.073 0.000 0.995 66 V HN 0.763 nan 8.190 nan 0.000 0.429 67 R N 5.540 126.053 120.500 0.022 0.000 2.409 67 R HA 0.688 5.028 4.340 -0.000 0.000 0.313 67 R C -1.217 175.100 176.300 0.029 0.000 0.953 67 R CA -0.450 55.633 56.100 -0.027 0.000 0.849 67 R CB 1.810 32.020 30.300 -0.150 0.000 1.171 67 R HN 0.564 nan 8.270 nan 0.000 0.458 68 I N 0.424 121.025 120.570 0.052 0.000 2.693 68 I HA 0.430 4.599 4.170 -0.000 0.000 0.303 68 I C 1.049 177.221 176.117 0.092 0.000 1.025 68 I CA -0.608 60.753 61.300 0.103 0.000 1.086 68 I CB 2.069 40.145 38.000 0.126 0.000 1.268 68 I HN 0.877 nan 8.210 nan 0.000 0.440 69 G N 2.937 111.816 108.800 0.132 0.000 2.136 69 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.242 69 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.242 69 G C 0.096 175.065 174.900 0.114 0.000 0.989 69 G CA -0.238 44.941 45.100 0.131 0.000 0.682 69 G HN 0.596 nan 8.290 nan 0.000 0.522 70 K N -1.170 119.332 120.400 0.170 0.000 2.118 70 K HA 0.558 4.878 4.320 -0.000 0.000 0.264 70 K C 0.806 177.658 176.600 0.419 0.000 1.000 70 K CA -0.300 56.105 56.287 0.197 0.000 0.929 70 K CB 1.135 33.656 32.500 0.035 0.000 1.021 70 K HN 0.326 nan 8.250 nan 0.000 0.463 71 H N -0.292 118.920 119.070 0.237 0.000 2.143 71 H HA 0.146 4.702 4.556 -0.000 0.000 0.238 71 H C -0.093 175.460 175.328 0.375 0.000 0.914 71 H CA 0.366 56.563 56.048 0.248 0.000 1.154 71 H CB 0.543 30.355 29.762 0.082 0.000 1.359 71 H HN 0.425 nan 8.280 nan 0.000 0.493 72 S N 0.465 116.262 115.700 0.161 0.000 2.480 72 S HA 0.221 4.691 4.470 -0.000 0.000 0.286 72 S C 1.193 175.791 174.600 -0.002 0.000 1.180 72 S CA -0.570 57.684 58.200 0.090 0.000 1.075 72 S CB 1.090 64.323 63.200 0.055 0.000 0.996 72 S HN 0.558 nan 8.310 nan 0.000 0.487 73 R N 2.542 123.001 120.500 -0.069 0.000 2.119 73 R HA -0.046 4.294 4.340 -0.000 0.000 0.222 73 R C 1.767 177.971 176.300 -0.160 0.000 1.088 73 R CA 1.936 57.834 56.100 -0.337 0.000 0.984 73 R CB -0.857 29.179 30.300 -0.440 0.000 0.884 73 R HN 0.783 nan 8.270 nan 0.000 0.447 74 T N -1.661 112.857 114.554 -0.059 0.000 3.113 74 T HA 0.106 4.456 4.350 -0.000 0.000 0.263 74 T C 0.669 175.358 174.700 -0.018 0.000 1.143 74 T CA 0.212 62.298 62.100 -0.024 0.000 1.090 74 T CB -0.010 68.861 68.868 0.005 0.000 0.922 74 T HN 0.030 nan 8.240 nan 0.000 0.521 75 R N -0.810 119.672 120.500 -0.030 0.000 2.739 75 R HA 0.432 4.771 4.340 -0.000 0.000 0.271 75 R C -1.016 175.283 176.300 -0.002 0.000 1.010 75 R CA -0.918 55.180 56.100 -0.002 0.000 0.897 75 R CB 1.099 31.402 30.300 0.005 0.000 1.236 75 R HN 0.223 nan 8.270 nan 0.000 0.466 76 Y N 2.134 122.374 120.300 -0.099 0.000 2.557 76 Y HA 0.112 4.662 4.550 -0.000 0.000 0.436 76 Y C 1.564 177.411 175.900 -0.087 0.000 1.403 76 Y CA 0.658 58.690 58.100 -0.115 0.000 1.960 76 Y CB 0.538 38.936 38.460 -0.103 0.000 1.785 76 Y HN 0.684 nan 8.280 nan 0.000 0.640 77 R N -1.582 118.514 120.500 -0.673 0.000 2.709 77 R HA 0.206 4.546 4.340 -0.000 0.000 0.200 77 R C 0.522 176.662 176.300 -0.266 0.000 0.974 77 R CA 0.248 56.043 56.100 -0.507 0.000 1.416 77 R CB -0.184 30.047 30.300 -0.114 0.000 1.709 77 R HN 0.420 nan 8.270 nan 0.000 0.546 78 N N 1.782 120.338 118.700 -0.239 0.000 2.415 78 N HA 0.074 4.814 4.740 -0.000 0.000 0.176 78 N C 1.781 177.161 175.510 -0.217 0.000 1.042 78 N CA 1.483 54.426 53.050 -0.178 0.000 0.902 78 N CB 0.576 38.968 38.487 -0.158 0.000 0.986 78 N HN 0.540 nan 8.380 nan 0.000 0.447 79 I N -2.444 117.936 120.570 -0.316 0.000 4.244 79 I HA 0.280 4.450 4.170 -0.000 0.000 0.318 79 I C 0.674 176.685 176.117 -0.177 0.000 1.282 79 I CA -0.230 60.865 61.300 -0.341 0.000 1.276 79 I CB 0.170 37.735 38.000 -0.725 0.000 1.183 79 I HN -0.230 nan 8.210 nan 0.000 0.431 80 E N 3.251 123.313 120.200 -0.230 0.000 2.373 80 E HA 0.186 4.536 4.350 -0.000 0.000 0.267 80 E C -0.792 175.763 176.600 -0.076 0.000 1.032 80 E CA -0.213 56.085 56.400 -0.170 0.000 0.889 80 E CB 0.690 30.199 29.700 -0.319 0.000 0.984 80 E HN 0.079 nan 8.360 nan 0.000 0.425 81 K N 3.966 124.362 120.400 -0.006 0.000 2.471 81 K HA 0.386 4.706 4.320 -0.000 0.000 0.252 81 K C -1.159 175.464 176.600 0.038 0.000 0.938 81 K CA -0.847 55.460 56.287 0.033 0.000 0.796 81 K CB 1.458 33.990 32.500 0.053 0.000 1.161 81 K HN 0.457 nan 8.250 nan 0.000 0.425 82 I N 1.336 121.933 120.570 0.046 0.000 2.354 82 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 82 I C -0.031 176.097 176.117 0.019 0.000 0.989 82 I CA 0.077 61.393 61.300 0.027 0.000 1.188 82 I CB 1.798 39.812 38.000 0.023 0.000 1.342 82 I HN 0.312 nan 8.210 nan 0.000 0.457 83 S N 6.671 122.382 115.700 0.018 0.000 2.500 83 S HA 0.560 5.029 4.470 -0.000 0.000 0.301 83 S C -0.420 174.182 174.600 0.005 0.000 1.092 83 S CA -0.698 57.508 58.200 0.010 0.000 1.030 83 S CB 1.525 64.732 63.200 0.013 0.000 1.031 83 S HN 0.606 nan 8.310 nan 0.000 0.483 84 M N 4.332 123.927 119.600 -0.008 0.000 2.235 84 M HA 0.413 4.893 4.480 -0.000 0.000 0.351 84 M C -1.451 174.833 176.300 -0.027 0.000 1.178 84 M CA -0.274 55.018 55.300 -0.014 0.000 1.143 84 M CB 0.256 32.844 32.600 -0.020 0.000 1.530 84 M HN 0.542 nan 8.290 nan 0.000 0.461 85 L N 3.917 125.124 121.223 -0.027 0.000 2.292 85 L HA 0.233 4.572 4.340 -0.000 0.000 0.284 85 L C 0.945 177.776 176.870 -0.065 0.000 1.065 85 L CA -0.120 54.693 54.840 -0.045 0.000 0.806 85 L CB 1.319 43.360 42.059 -0.030 0.000 1.175 85 L HN 0.859 nan 8.230 nan 0.000 0.431 86 E N 2.276 122.420 120.200 -0.093 0.000 2.216 86 E HA 0.058 4.408 4.350 -0.000 0.000 0.192 86 E C -0.007 176.523 176.600 -0.117 0.000 0.973 86 E CA 0.595 56.938 56.400 -0.095 0.000 0.851 86 E CB 0.716 30.353 29.700 -0.105 0.000 0.804 86 E HN 0.305 nan 8.360 nan 0.000 0.477 87 K N 0.436 120.749 120.400 -0.146 0.000 2.583 87 K HA 0.320 4.639 4.320 -0.000 0.000 0.260 87 K C -1.698 174.739 176.600 -0.272 0.000 0.931 87 K CA -0.449 55.684 56.287 -0.256 0.000 0.849 87 K CB 1.374 33.676 32.500 -0.331 0.000 1.347 87 K HN 0.053 nan 8.250 nan 0.000 0.425 88 I N 3.092 123.458 120.570 -0.341 0.000 2.412 88 I HA 0.388 4.558 4.170 -0.000 0.000 0.296 88 I C -0.839 175.065 176.117 -0.355 0.000 0.987 88 I CA -0.959 60.236 61.300 -0.175 0.000 1.180 88 I CB 1.157 39.114 38.000 -0.071 0.000 1.340 88 I HN 0.428 nan 8.210 nan 0.000 0.455 89 Y N 6.004 126.397 120.300 0.155 0.000 2.426 89 Y HA 0.420 4.970 4.550 -0.000 0.000 0.325 89 Y C -0.107 176.015 175.900 0.370 0.000 0.989 89 Y CA -0.874 57.363 58.100 0.228 0.000 1.284 89 Y CB 0.908 39.507 38.460 0.232 0.000 1.104 89 Y HN 0.231 nan 8.280 nan 0.000 0.481 90 I N 2.726 123.504 120.570 0.347 0.000 2.532 90 I HA 0.067 4.237 4.170 -0.000 0.000 0.292 90 I C 0.789 177.019 176.117 0.188 0.000 1.014 90 I CA -0.550 60.885 61.300 0.225 0.000 1.340 90 I CB 0.559 38.654 38.000 0.159 0.000 1.422 90 I HN 0.617 nan 8.210 nan 0.000 0.528 91 H N 8.086 126.993 119.070 -0.271 0.000 3.004 91 H HA 0.057 4.612 4.556 -0.001 0.000 0.316 91 H C -1.568 173.672 175.328 -0.146 0.000 1.014 91 H CA -1.046 54.602 56.048 -0.668 0.000 1.454 91 H CB 1.250 30.461 29.762 -0.917 0.000 1.472 91 H HN 0.298 nan 8.280 nan 0.000 0.571 92 P HA -0.111 nan 4.420 nan 0.000 0.221 92 P C 0.379 177.796 177.300 0.195 0.000 1.145 92 P CA 1.206 64.368 63.100 0.105 0.000 0.795 92 P CB 0.268 32.010 31.700 0.070 0.000 0.775 93 R N -1.082 119.651 120.500 0.388 0.000 2.694 93 R HA 0.136 4.476 4.340 -0.000 0.000 0.334 93 R C 0.050 176.406 176.300 0.093 0.000 1.143 93 R CA -0.697 55.520 56.100 0.194 0.000 1.073 93 R CB -0.460 29.927 30.300 0.146 0.000 1.366 93 R HN 0.129 nan 8.270 nan 0.000 0.577 94 Y N 1.874 122.195 120.300 0.034 0.000 2.537 94 Y HA 0.057 4.607 4.550 -0.000 0.000 0.339 94 Y C -0.024 175.873 175.900 -0.005 0.000 1.066 94 Y CA -1.131 56.961 58.100 -0.014 0.000 1.357 94 Y CB 0.148 38.658 38.460 0.082 0.000 1.175 94 Y HN -0.059 nan 8.280 nan 0.000 0.525 95 N N 8.472 127.041 118.700 -0.219 0.000 3.034 95 N HA 0.004 4.744 4.740 -0.000 0.000 0.265 95 N C 0.007 175.184 175.510 -0.555 0.000 1.166 95 N CA -0.567 52.222 53.050 -0.435 0.000 1.081 95 N CB -0.326 38.000 38.487 -0.269 0.000 1.378 95 N HN 0.825 nan 8.380 nan 0.000 0.520 96 W N 2.927 123.714 121.300 -0.855 0.000 2.785 96 W HA 0.099 4.759 4.660 -0.001 0.000 0.396 96 W C 0.864 177.183 176.519 -0.333 0.000 0.946 96 W CA -0.509 56.450 57.345 -0.644 0.000 2.096 96 W CB -0.930 28.109 29.460 -0.702 0.000 0.812 96 W HN 0.520 nan 8.180 nan 0.000 0.674 97 E N 3.136 123.124 120.200 -0.353 0.000 2.434 97 E HA -0.391 3.959 4.350 -0.000 0.000 0.245 97 E C 0.976 177.400 176.600 -0.294 0.000 1.097 97 E CA 3.171 59.403 56.400 -0.281 0.000 1.123 97 E CB -0.312 29.230 29.700 -0.264 0.000 0.977 97 E HN 0.486 nan 8.360 nan 0.000 0.480 98 N N -1.564 116.949 118.700 -0.311 0.000 2.261 98 N HA 0.064 4.804 4.740 -0.000 0.000 0.241 98 N C 0.006 175.278 175.510 -0.397 0.000 1.374 98 N CA 0.458 53.251 53.050 -0.427 0.000 0.802 98 N CB -0.400 37.887 38.487 -0.334 0.000 1.339 98 N HN 0.326 nan 8.380 nan 0.000 0.498 99 L N -0.534 120.554 121.223 -0.225 0.000 3.976 99 L HA -0.251 4.089 4.340 -0.000 0.000 0.418 99 L C -0.362 176.578 176.870 0.116 0.000 1.177 99 L CA 0.941 55.797 54.840 0.028 0.000 0.968 99 L CB -1.601 40.473 42.059 0.025 0.000 1.933 99 L HN 0.285 nan 8.230 nan 0.000 0.976 100 D N 1.780 122.187 120.400 0.011 0.000 2.493 100 D HA 0.092 4.732 4.640 -0.000 0.000 0.240 100 D C 0.982 177.308 176.300 0.043 0.000 1.142 100 D CA 0.497 54.511 54.000 0.023 0.000 0.872 100 D CB 0.420 41.189 40.800 -0.050 0.000 1.173 100 D HN 0.230 nan 8.370 nan 0.000 0.467 101 R N 1.700 122.193 120.500 -0.013 0.000 3.332 101 R HA -0.202 4.138 4.340 -0.000 0.000 0.263 101 R C -0.670 175.605 176.300 -0.042 0.000 1.053 101 R CA 0.471 56.476 56.100 -0.158 0.000 0.705 101 R CB -1.849 28.145 30.300 -0.510 0.000 1.166 101 R HN 0.448 nan 8.270 nan 0.000 0.427 102 D N 1.488 121.931 120.400 0.071 0.000 2.498 102 D HA 0.317 4.957 4.640 -0.000 0.000 0.229 102 D C -0.061 176.199 176.300 -0.066 0.000 1.188 102 D CA 0.324 54.333 54.000 0.015 0.000 1.028 102 D CB 0.039 40.969 40.800 0.216 0.000 1.087 102 D HN 0.414 nan 8.370 nan 0.000 0.510 103 I N 0.910 121.378 120.570 -0.170 0.000 2.841 103 I HA 0.646 4.816 4.170 -0.000 0.000 0.298 103 I C -1.889 174.208 176.117 -0.033 0.000 1.304 103 I CA -0.571 60.703 61.300 -0.045 0.000 1.019 103 I CB 1.774 39.798 38.000 0.040 0.000 1.282 103 I HN 0.268 nan 8.210 nan 0.000 0.432 104 A N 6.682 129.601 122.820 0.166 0.000 2.606 104 A HA 0.831 5.151 4.320 -0.000 0.000 0.293 104 A C -2.186 175.667 177.584 0.448 0.000 1.082 104 A CA -0.545 51.690 52.037 0.331 0.000 0.685 104 A CB 1.810 20.901 19.000 0.152 0.000 1.284 104 A HN 0.632 nan 8.150 nan 0.000 0.408 105 L N 0.737 122.294 121.223 0.558 0.000 2.341 105 L HA 0.739 5.079 4.340 -0.000 0.000 0.267 105 L C -0.618 176.562 176.870 0.516 0.000 1.009 105 L CA -0.442 54.699 54.840 0.501 0.000 0.819 105 L CB 2.129 44.429 42.059 0.401 0.000 1.323 105 L HN 0.778 nan 8.230 nan 0.000 0.425 106 M N 2.813 122.680 119.600 0.445 0.000 2.263 106 M HA 0.362 4.841 4.480 -0.000 0.000 0.295 106 M C -1.027 175.326 176.300 0.087 0.000 1.028 106 M CA -0.692 54.757 55.300 0.248 0.000 0.921 106 M CB 2.359 35.045 32.600 0.144 0.000 1.601 106 M HN 0.244 nan 8.290 nan 0.000 0.440 107 K N 3.952 124.253 120.400 -0.165 0.000 2.211 107 K HA 0.617 4.937 4.320 -0.000 0.000 0.275 107 K C -1.292 175.092 176.600 -0.360 0.000 1.024 107 K CA -0.294 55.579 56.287 -0.690 0.000 0.887 107 K CB 0.770 32.756 32.500 -0.858 0.000 1.084 107 K HN 0.708 nan 8.250 nan 0.000 0.463 108 L N 4.303 125.325 121.223 -0.334 0.000 2.436 108 L HA 0.193 4.533 4.340 -0.000 0.000 0.265 108 L C 1.509 178.278 176.870 -0.169 0.000 1.168 108 L CA -0.630 54.105 54.840 -0.176 0.000 0.815 108 L CB 0.642 42.632 42.059 -0.114 0.000 1.109 108 L HN 0.707 nan 8.230 nan 0.000 0.462 109 K N 1.282 121.618 120.400 -0.106 0.000 2.211 109 K HA 0.035 4.355 4.320 -0.000 0.000 0.203 109 K C 0.273 176.828 176.600 -0.076 0.000 1.050 109 K CA 1.297 57.534 56.287 -0.084 0.000 0.945 109 K CB 0.149 32.615 32.500 -0.056 0.000 0.732 109 K HN 0.491 nan 8.250 nan 0.000 0.451 110 K N 0.207 120.563 120.400 -0.073 0.000 2.477 110 K HA 0.316 4.636 4.320 -0.000 0.000 0.255 110 K C -2.698 173.859 176.600 -0.072 0.000 0.952 110 K CA -2.148 54.101 56.287 -0.062 0.000 0.826 110 K CB 2.569 35.043 32.500 -0.044 0.000 1.331 110 K HN -0.152 nan 8.250 nan 0.000 0.437 111 P HA 0.039 nan 4.420 nan 0.000 0.275 111 P C -0.517 176.728 177.300 -0.091 0.000 1.228 111 P CA -0.452 62.595 63.100 -0.089 0.000 0.786 111 P CB 0.844 32.484 31.700 -0.101 0.000 0.927 112 V N -0.424 119.439 119.914 -0.086 0.000 2.539 112 V HA 0.745 4.865 4.120 -0.000 0.000 0.292 112 V C 0.250 176.242 176.094 -0.170 0.000 1.045 112 V CA -1.185 61.079 62.300 -0.059 0.000 0.945 112 V CB 0.704 32.552 31.823 0.041 0.000 0.993 112 V HN 0.701 nan 8.190 nan 0.000 0.464 113 A N 3.811 126.564 122.820 -0.110 0.000 2.371 113 A HA 0.736 5.055 4.320 -0.000 0.000 0.257 113 A C -0.346 177.236 177.584 -0.003 0.000 1.089 113 A CA -0.293 51.650 52.037 -0.157 0.000 0.794 113 A CB -0.031 18.938 19.000 -0.051 0.000 1.029 113 A HN 0.705 nan 8.150 nan 0.000 0.488 114 F N 0.793 120.781 119.950 0.064 0.000 2.370 114 F HA 0.629 5.155 4.527 -0.001 0.000 0.319 114 F C 1.226 177.086 175.800 0.100 0.000 1.129 114 F CA -0.053 58.003 58.000 0.093 0.000 1.109 114 F CB 1.264 40.327 39.000 0.105 0.000 1.262 114 F HN 0.815 nan 8.300 nan 0.000 0.534 115 S N -0.993 114.905 115.700 0.330 0.000 2.724 115 S HA 0.289 4.759 4.470 -0.000 0.000 0.278 115 S C -0.164 174.474 174.600 0.063 0.000 1.190 115 S CA -0.729 57.585 58.200 0.191 0.000 0.860 115 S CB 0.914 64.244 63.200 0.216 0.000 1.206 115 S HN 0.324 nan 8.310 nan 0.000 0.507 116 D N 0.029 120.364 120.400 -0.108 0.000 2.263 116 D HA 0.077 4.717 4.640 -0.000 0.000 0.208 116 D C 0.771 176.694 176.300 -0.629 0.000 0.971 116 D CA 1.494 55.224 54.000 -0.449 0.000 0.867 116 D CB -0.296 40.053 40.800 -0.753 0.000 0.929 116 D HN 0.589 nan 8.370 nan 0.000 0.492 117 Y N -0.749 119.542 120.300 -0.014 0.000 2.442 117 Y HA 0.367 4.917 4.550 -0.000 0.000 0.250 117 Y C 0.677 176.573 175.900 -0.006 0.000 1.113 117 Y CA -0.195 57.883 58.100 -0.037 0.000 1.273 117 Y CB 0.916 39.360 38.460 -0.028 0.000 1.138 117 Y HN -0.200 nan 8.280 nan 0.000 0.522 118 I N 0.393 121.066 120.570 0.172 0.000 2.468 118 I HA 0.337 4.507 4.170 -0.000 0.000 0.284 118 I C -1.266 174.964 176.117 0.189 0.000 1.038 118 I CA -0.510 60.907 61.300 0.195 0.000 1.083 118 I CB 1.517 39.674 38.000 0.261 0.000 1.223 118 I HN 0.039 nan 8.210 nan 0.000 0.443 119 H N 7.201 126.238 119.070 -0.055 0.000 3.086 119 H HA 0.432 4.988 4.556 -0.000 0.000 0.353 119 H C -2.919 172.365 175.328 -0.073 0.000 1.134 119 H CA -1.133 54.752 56.048 -0.272 0.000 1.248 119 H CB 3.128 32.797 29.762 -0.154 0.000 1.878 119 H HN 0.198 nan 8.280 nan 0.000 0.527 120 P HA 0.112 nan 4.420 nan 0.000 0.278 120 P C -0.502 176.798 177.300 0.001 0.000 1.238 120 P CA -0.290 62.724 63.100 -0.144 0.000 0.794 120 P CB 1.897 33.435 31.700 -0.270 0.000 0.955 121 V N 3.213 123.052 119.914 -0.124 0.000 3.036 121 V HA 0.242 4.362 4.120 -0.000 0.000 0.308 121 V C -0.104 175.774 176.094 -0.359 0.000 1.070 121 V CA -0.311 61.611 62.300 -0.631 0.000 1.056 121 V CB 1.164 32.308 31.823 -1.131 0.000 1.084 121 V HN 0.688 nan 8.190 nan 0.000 0.471 122 C N 4.520 123.562 119.300 -0.429 0.000 2.398 122 C HA 0.539 4.999 4.460 -0.000 0.000 0.364 122 C C 0.072 174.982 174.990 -0.133 0.000 1.219 122 C CA -0.874 57.941 59.018 -0.339 0.000 2.312 122 C CB 0.322 27.616 27.740 -0.744 0.000 2.428 122 C HN 0.724 nan 8.230 nan 0.000 0.564 123 L N 4.589 125.834 121.223 0.035 0.000 2.309 123 L HA 0.439 4.779 4.340 -0.000 0.000 0.282 123 L C -1.847 175.231 176.870 0.347 0.000 1.036 123 L CA -1.329 53.616 54.840 0.175 0.000 0.806 123 L CB 1.350 43.490 42.059 0.136 0.000 1.220 123 L HN 0.461 nan 8.230 nan 0.000 0.429 124 P HA 0.126 nan 4.420 nan 0.000 0.274 124 P C -1.489 175.947 177.300 0.228 0.000 1.237 124 P CA -0.413 62.843 63.100 0.260 0.000 0.793 124 P CB 1.085 32.849 31.700 0.106 0.000 0.977 125 D N 0.112 120.539 120.400 0.045 0.000 2.487 125 D HA 0.220 4.860 4.640 -0.000 0.000 0.262 125 D C 1.403 177.443 176.300 -0.433 0.000 1.130 125 D CA -0.854 53.166 54.000 0.033 0.000 1.038 125 D CB 0.558 41.368 40.800 0.016 0.000 1.142 125 D HN 0.249 nan 8.370 nan 0.000 0.575 126 R N -0.680 119.458 120.500 -0.605 0.000 2.096 126 R HA -0.206 4.133 4.340 -0.000 0.000 0.240 126 R C 1.645 177.540 176.300 -0.675 0.000 1.139 126 R CA 1.576 56.984 56.100 -1.154 0.000 0.952 126 R CB -0.075 30.001 30.300 -0.374 0.000 0.854 126 R HN 0.464 nan 8.270 nan 0.000 0.436 127 E N 0.224 120.201 120.200 -0.372 0.000 2.072 127 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 127 E C 0.058 176.484 176.600 -0.290 0.000 0.982 127 E CA 0.838 57.076 56.400 -0.270 0.000 0.803 127 E CB -0.331 29.263 29.700 -0.178 0.000 0.755 127 E HN 0.232 nan 8.360 nan 0.000 0.453 128 T N 2.615 116.972 114.554 -0.327 0.000 2.778 128 T HA 0.033 4.382 4.350 -0.000 0.000 0.282 128 T C 0.766 175.276 174.700 -0.316 0.000 0.983 128 T CA 0.313 62.191 62.100 -0.369 0.000 1.193 128 T CB 0.321 68.860 68.868 -0.549 0.000 0.938 128 T HN 0.120 nan 8.240 nan 0.000 0.523 129 L N 2.433 123.583 121.223 -0.122 0.000 2.462 129 L HA -0.145 4.195 4.340 -0.000 0.000 0.463 129 L C 0.811 177.589 176.870 -0.153 0.000 0.716 129 L CA 1.033 55.855 54.840 -0.030 0.000 2.997 129 L CB -1.207 40.810 42.059 -0.069 0.000 0.811 129 L HN 0.658 nan 8.230 nan 0.000 0.710 130 L N 1.836 122.887 121.223 -0.286 0.000 2.437 130 L HA 0.175 4.515 4.340 -0.000 0.000 0.243 130 L C 0.533 177.142 176.870 -0.435 0.000 1.346 130 L CA 0.371 54.965 54.840 -0.410 0.000 1.233 130 L CB -0.305 41.464 42.059 -0.482 0.000 1.436 130 L HN 0.281 nan 8.230 nan 0.000 0.416 131 Q N 1.006 120.458 119.800 -0.579 0.000 2.377 131 Q HA 0.604 4.943 4.340 -0.000 0.000 0.271 131 Q C -0.153 175.555 176.000 -0.486 0.000 1.077 131 Q CA -0.910 54.496 55.803 -0.663 0.000 0.820 131 Q CB 2.714 30.776 28.738 -1.127 0.000 1.347 131 Q HN 0.488 nan 8.270 nan 0.000 0.444 132 A N 0.725 123.356 122.820 -0.315 0.000 2.567 132 A HA 0.382 4.701 4.320 -0.000 0.000 0.240 132 A C 1.192 178.729 177.584 -0.079 0.000 1.053 132 A CA 1.231 53.161 52.037 -0.179 0.000 0.755 132 A CB -0.751 18.164 19.000 -0.142 0.000 0.978 132 A HN 1.038 nan 8.150 nan 0.000 0.507 133 G N 1.108 109.903 108.800 -0.008 0.000 2.317 133 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.227 133 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.227 133 G C 0.169 175.186 174.900 0.195 0.000 1.042 133 G CA 0.259 45.412 45.100 0.088 0.000 0.623 133 G HN 0.796 nan 8.290 nan 0.000 0.509 134 Y N 2.205 122.465 120.300 -0.068 0.000 2.497 134 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 134 Y C 1.225 177.102 175.900 -0.038 0.000 1.199 134 Y CA -0.292 57.772 58.100 -0.060 0.000 1.425 134 Y CB 0.511 38.922 38.460 -0.082 0.000 1.291 134 Y HN 0.178 nan 8.280 nan 0.000 0.562 135 K N 1.664 122.113 120.400 0.082 0.000 2.138 135 K HA 0.686 5.006 4.320 -0.000 0.000 0.263 135 K C 0.242 176.828 176.600 -0.023 0.000 0.965 135 K CA -0.651 55.655 56.287 0.032 0.000 0.868 135 K CB 1.697 34.197 32.500 -0.002 0.000 1.083 135 K HN 0.845 nan 8.250 nan 0.000 0.443 136 G N 0.977 109.667 108.800 -0.184 0.000 2.788 136 G HA2 0.520 4.480 3.960 -0.000 0.000 0.293 136 G HA3 0.520 4.480 3.960 -0.000 0.000 0.293 136 G C -1.382 173.114 174.900 -0.672 0.000 1.305 136 G CA -0.656 44.038 45.100 -0.676 0.000 1.005 136 G HN 0.524 nan 8.290 nan 0.000 0.496 137 R N -0.523 119.621 120.500 -0.592 0.000 2.599 137 R HA 0.641 4.980 4.340 -0.000 0.000 0.295 137 R C -1.605 174.528 176.300 -0.280 0.000 0.963 137 R CA -0.449 55.476 56.100 -0.291 0.000 0.883 137 R CB 2.064 32.336 30.300 -0.048 0.000 1.171 137 R HN 0.312 nan 8.270 nan 0.000 0.450 138 V N 3.259 123.105 119.914 -0.115 0.000 2.540 138 V HA 0.496 4.615 4.120 -0.000 0.000 0.302 138 V C -0.206 175.905 176.094 0.027 0.000 1.035 138 V CA -0.646 61.683 62.300 0.048 0.000 0.873 138 V CB 1.851 33.796 31.823 0.203 0.000 0.992 138 V HN 1.018 nan 8.190 nan 0.000 0.428 139 T N 0.519 115.091 114.554 0.030 0.000 2.916 139 T HA 0.985 5.334 4.350 -0.000 0.000 0.292 139 T C -0.130 174.531 174.700 -0.065 0.000 1.055 139 T CA -0.379 61.679 62.100 -0.070 0.000 1.009 139 T CB 2.201 70.985 68.868 -0.140 0.000 1.118 139 T HN 1.523 nan 8.240 nan 0.000 0.497 140 G N -0.554 108.123 108.800 -0.206 0.000 2.328 140 G HA2 0.345 4.305 3.960 -0.000 0.000 0.299 140 G HA3 0.345 4.305 3.960 -0.000 0.000 0.299 140 G C -1.182 173.616 174.900 -0.170 0.000 1.435 140 G CA -0.864 44.163 45.100 -0.121 0.000 0.865 140 G HN 0.680 nan 8.290 nan 0.000 0.601 141 W N 1.166 122.494 121.300 0.046 0.000 3.123 141 W HA 0.359 5.019 4.660 -0.000 0.000 0.383 141 W C 1.233 177.779 176.519 0.045 0.000 1.102 141 W CA -0.029 57.337 57.345 0.035 0.000 1.865 141 W CB 0.796 30.277 29.460 0.036 0.000 1.111 141 W HN 0.857 nan 8.180 nan 0.000 0.621 142 G N 1.567 110.506 108.800 0.231 0.000 2.647 142 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.271 142 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.271 142 G C 0.323 175.301 174.900 0.129 0.000 1.300 142 G CA -0.400 44.800 45.100 0.166 0.000 0.997 142 G HN -0.068 nan 8.290 nan 0.000 0.533 143 N N -0.642 118.120 118.700 0.103 0.000 2.441 143 N HA 0.030 4.769 4.740 -0.000 0.000 0.251 143 N C 1.368 176.924 175.510 0.077 0.000 1.242 143 N CA -0.177 52.924 53.050 0.085 0.000 0.898 143 N CB 1.191 39.720 38.487 0.071 0.000 1.100 143 N HN 0.323 nan 8.380 nan 0.000 0.443 144 L N 0.175 121.440 121.223 0.070 0.000 2.492 144 L HA 0.116 4.455 4.340 -0.000 0.000 0.223 144 L C 1.013 177.919 176.870 0.060 0.000 1.132 144 L CA 0.775 55.652 54.840 0.061 0.000 0.850 144 L CB -0.084 42.008 42.059 0.056 0.000 0.966 144 L HN 0.508 nan 8.230 nan 0.000 0.454 145 K N -0.214 120.224 120.400 0.063 0.000 2.642 145 K HA 0.167 4.487 4.320 -0.000 0.000 0.290 145 K C -1.258 175.381 176.600 0.065 0.000 1.006 145 K CA -0.686 55.639 56.287 0.064 0.000 0.869 145 K CB 1.864 34.403 32.500 0.065 0.000 1.499 145 K HN -0.162 nan 8.250 nan 0.000 0.403 146 E N 1.305 121.545 120.200 0.066 0.000 2.354 146 E HA 0.172 4.522 4.350 -0.000 0.000 0.269 146 E C -0.812 175.836 176.600 0.080 0.000 1.036 146 E CA -0.254 56.184 56.400 0.064 0.000 0.876 146 E CB 0.948 30.686 29.700 0.062 0.000 1.009 146 E HN 0.573 nan 8.360 nan 0.000 0.416 147 T N 1.010 115.605 114.554 0.069 0.000 2.950 147 T HA 0.204 4.554 4.350 -0.000 0.000 0.288 147 T C 1.012 175.778 174.700 0.111 0.000 1.035 147 T CA -0.877 61.282 62.100 0.099 0.000 1.028 147 T CB 0.683 69.575 68.868 0.040 0.000 1.109 147 T HN 0.797 nan 8.240 nan 0.000 0.514 148 W N 0.459 121.769 121.300 0.018 0.000 2.825 148 W HA 0.204 4.864 4.660 -0.001 0.000 0.243 148 W C -0.491 176.037 176.519 0.014 0.000 1.293 148 W CA -0.536 56.818 57.345 0.015 0.000 1.403 148 W CB -0.800 28.668 29.460 0.013 0.000 1.134 148 W HN 0.467 nan 8.180 nan 0.000 0.666 149 K N 1.304 121.712 120.400 0.014 0.000 2.227 149 K HA 0.437 4.757 4.320 -0.000 0.000 0.280 149 K C 0.454 177.079 176.600 0.042 0.000 1.041 149 K CA -0.113 56.193 56.287 0.030 0.000 0.905 149 K CB 1.327 33.845 32.500 0.031 0.000 1.068 149 K HN -0.007 nan 8.250 nan 0.000 0.470 150 G N 3.608 112.439 108.800 0.052 0.000 3.428 150 G HA2 0.134 4.094 3.960 -0.000 0.000 0.344 150 G HA3 0.134 4.094 3.960 -0.000 0.000 0.344 150 G C -0.513 174.427 174.900 0.068 0.000 1.256 150 G CA -0.402 44.732 45.100 0.058 0.000 1.209 150 G HN 0.525 nan 8.290 nan 0.000 0.470 151 Q N 1.928 121.772 119.800 0.073 0.000 2.222 151 Q HA 0.395 4.734 4.340 -0.000 0.000 0.252 151 Q C -2.007 174.054 176.000 0.102 0.000 0.926 151 Q CA -1.643 54.219 55.803 0.099 0.000 0.899 151 Q CB 2.329 31.133 28.738 0.109 0.000 1.250 151 Q HN 0.382 nan 8.270 nan 0.000 0.441 152 P HA 0.049 nan 4.420 nan 0.000 0.277 152 P C -0.230 177.169 177.300 0.164 0.000 1.271 152 P CA -0.275 62.895 63.100 0.117 0.000 0.795 152 P CB 1.151 32.907 31.700 0.093 0.000 1.101 153 S N -1.188 114.587 115.700 0.124 0.000 2.468 153 S HA 0.112 4.582 4.470 -0.000 0.000 0.226 153 S C 0.888 175.596 174.600 0.180 0.000 1.051 153 S CA 0.020 58.294 58.200 0.124 0.000 0.943 153 S CB -0.309 62.928 63.200 0.063 0.000 0.810 153 S HN 0.245 nan 8.310 nan 0.000 0.509 154 V N 3.131 123.092 119.914 0.079 0.000 2.532 154 V HA 0.433 4.552 4.120 -0.000 0.000 0.295 154 V C -0.047 175.935 176.094 -0.186 0.000 1.041 154 V CA -1.084 61.161 62.300 -0.091 0.000 0.926 154 V CB 1.481 33.164 31.823 -0.233 0.000 0.992 154 V HN 0.507 nan 8.190 nan 0.000 0.457 155 L N 5.168 126.110 121.223 -0.468 0.000 2.615 155 L HA 0.035 4.375 4.340 -0.000 0.000 0.284 155 L C 0.245 176.804 176.870 -0.519 0.000 1.237 155 L CA 1.005 55.243 54.840 -1.003 0.000 0.905 155 L CB 0.066 41.551 42.059 -0.957 0.000 1.149 155 L HN 0.631 nan 8.230 nan 0.000 0.499 156 Q N 4.051 123.585 119.800 -0.444 0.000 2.235 156 Q HA 0.627 4.967 4.340 -0.000 0.000 0.256 156 Q C -1.014 174.874 176.000 -0.186 0.000 0.951 156 Q CA -0.606 55.066 55.803 -0.219 0.000 0.890 156 Q CB 2.182 30.848 28.738 -0.121 0.000 1.279 156 Q HN 0.549 nan 8.270 nan 0.000 0.444 157 V N 1.074 120.921 119.914 -0.111 0.000 2.789 157 V HA 0.688 4.808 4.120 -0.000 0.000 0.311 157 V C -0.773 175.305 176.094 -0.026 0.000 1.073 157 V CA -0.814 61.437 62.300 -0.081 0.000 0.921 157 V CB 2.396 34.164 31.823 -0.091 0.000 1.009 157 V HN 0.522 nan 8.190 nan 0.000 0.426 158 V N 3.406 123.318 119.914 -0.003 0.000 2.969 158 V HA 0.624 4.743 4.120 -0.000 0.000 0.304 158 V C -1.494 174.617 176.094 0.028 0.000 1.192 158 V CA -0.511 61.812 62.300 0.038 0.000 0.962 158 V CB 2.674 34.542 31.823 0.074 0.000 1.045 158 V HN 0.946 nan 8.190 nan 0.000 0.428 159 N N 5.532 124.267 118.700 0.058 0.000 2.399 159 N HA 0.779 5.519 4.740 -0.000 0.000 0.295 159 N C -1.225 174.323 175.510 0.064 0.000 1.048 159 N CA -0.223 52.843 53.050 0.027 0.000 0.886 159 N CB 1.964 40.482 38.487 0.052 0.000 1.185 159 N HN 0.618 nan 8.380 nan 0.000 0.487 160 L N 1.878 123.083 121.223 -0.030 0.000 2.434 160 L HA 0.580 4.920 4.340 -0.000 0.000 0.260 160 L C -2.509 174.307 176.870 -0.091 0.000 0.983 160 L CA -1.875 52.908 54.840 -0.095 0.000 0.820 160 L CB 3.252 45.330 42.059 0.031 0.000 1.361 160 L HN 0.278 nan 8.230 nan 0.000 0.410 161 P HA 0.309 nan 4.420 nan 0.000 0.288 161 P C -0.622 176.644 177.300 -0.057 0.000 1.267 161 P CA -0.335 62.690 63.100 -0.125 0.000 0.815 161 P CB 1.377 32.947 31.700 -0.217 0.000 0.989 162 I N 2.823 123.384 120.570 -0.015 0.000 2.588 162 I HA 0.069 4.239 4.170 -0.000 0.000 0.283 162 I C 1.109 177.136 176.117 -0.149 0.000 1.119 162 I CA -0.107 61.131 61.300 -0.104 0.000 1.419 162 I CB 0.902 38.785 38.000 -0.196 0.000 1.394 162 I HN 0.181 nan 8.210 nan 0.000 0.562 163 V N 5.738 125.529 119.914 -0.205 0.000 2.732 163 V HA 0.456 4.576 4.120 -0.000 0.000 0.310 163 V C 0.010 175.965 176.094 -0.230 0.000 1.053 163 V CA -0.770 61.372 62.300 -0.264 0.000 0.957 163 V CB 1.769 33.295 31.823 -0.495 0.000 1.018 163 V HN 0.791 nan 8.190 nan 0.000 0.452 164 E N 4.508 124.593 120.200 -0.192 0.000 2.414 164 E HA 0.090 4.439 4.350 -0.000 0.000 0.263 164 E C 0.648 177.176 176.600 -0.120 0.000 1.000 164 E CA -0.232 56.085 56.400 -0.138 0.000 0.914 164 E CB 0.693 30.331 29.700 -0.103 0.000 0.948 164 E HN 0.751 nan 8.360 nan 0.000 0.444 165 R N 2.097 122.554 120.500 -0.071 0.000 2.117 165 R HA -0.141 4.199 4.340 -0.000 0.000 0.243 165 R C -0.642 175.656 176.300 -0.002 0.000 1.143 165 R CA 1.913 58.002 56.100 -0.019 0.000 0.968 165 R CB -1.198 29.112 30.300 0.016 0.000 0.863 165 R HN 0.482 nan 8.270 nan 0.000 0.444 166 P HA -0.100 nan 4.420 nan 0.000 0.218 166 P C 1.330 178.634 177.300 0.008 0.000 1.149 166 P CA 0.985 64.089 63.100 0.007 0.000 0.817 166 P CB 0.093 31.792 31.700 -0.001 0.000 0.785 167 V N -0.881 119.008 119.914 -0.042 0.000 2.379 167 V HA -0.236 3.883 4.120 -0.000 0.000 0.245 167 V C 2.488 178.554 176.094 -0.047 0.000 1.044 167 V CA 1.776 64.039 62.300 -0.062 0.000 1.036 167 V CB -1.409 30.311 31.823 -0.172 0.000 0.664 167 V HN 0.200 nan 8.190 nan 0.000 0.453 168 c N -0.062 118.482 118.600 -0.093 0.000 2.413 168 c HA -0.199 4.371 4.570 -0.000 0.000 0.276 168 c C 2.796 177.042 174.090 0.260 0.000 1.236 168 c CA 1.608 57.951 56.329 0.024 0.000 1.735 168 c CB -0.899 41.599 42.510 -0.021 0.000 2.031 168 c HN 0.613 nan 8.230 nan 0.000 0.474 169 K N 0.818 121.326 120.400 0.179 0.000 2.026 169 K HA -0.172 4.147 4.320 -0.000 0.000 0.208 169 K C 1.336 178.034 176.600 0.162 0.000 1.048 169 K CA 1.989 58.384 56.287 0.180 0.000 0.929 169 K CB -0.230 32.339 32.500 0.116 0.000 0.713 169 K HN 0.345 nan 8.250 nan 0.000 0.439 170 D N -0.147 120.332 120.400 0.132 0.000 2.348 170 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 170 D C 1.748 178.144 176.300 0.160 0.000 0.970 170 D CA 1.045 55.118 54.000 0.121 0.000 0.889 170 D CB 0.120 40.976 40.800 0.093 0.000 0.912 170 D HN 0.339 nan 8.370 nan 0.000 0.524 171 S N -1.547 114.291 115.700 0.230 0.000 2.489 171 S HA -0.005 4.465 4.470 -0.000 0.000 0.228 171 S C 1.048 175.804 174.600 0.258 0.000 0.995 171 S CA 0.320 58.692 58.200 0.286 0.000 0.934 171 S CB 0.276 63.756 63.200 0.466 0.000 0.771 171 S HN 0.106 nan 8.310 nan 0.000 0.522 172 T N -0.201 114.502 114.554 0.248 0.000 2.896 172 T HA 0.509 4.859 4.350 -0.000 0.000 0.297 172 T C -0.009 174.762 174.700 0.119 0.000 1.108 172 T CA -0.886 61.335 62.100 0.202 0.000 1.004 172 T CB 1.678 70.710 68.868 0.273 0.000 1.159 172 T HN 0.158 nan 8.240 nan 0.000 0.499 173 R N 1.399 121.938 120.500 0.064 0.000 2.312 173 R HA 0.293 4.632 4.340 -0.000 0.000 0.205 173 R C 0.572 176.853 176.300 -0.031 0.000 0.904 173 R CA -0.166 55.945 56.100 0.019 0.000 1.052 173 R CB 0.170 30.474 30.300 0.006 0.000 1.014 173 R HN 0.496 nan 8.270 nan 0.000 0.503 174 I N 1.846 122.376 120.570 -0.067 0.000 2.692 174 I HA 0.001 4.171 4.170 -0.000 0.000 0.284 174 I C 0.868 176.914 176.117 -0.119 0.000 1.159 174 I CA 0.072 61.253 61.300 -0.198 0.000 1.423 174 I CB 0.321 38.034 38.000 -0.478 0.000 1.380 174 I HN -0.027 nan 8.210 nan 0.000 0.580 175 R N 6.361 126.778 120.500 -0.138 0.000 2.288 175 R HA 0.272 4.612 4.340 -0.000 0.000 0.330 175 R C -0.102 176.179 176.300 -0.031 0.000 1.069 175 R CA -0.349 55.712 56.100 -0.066 0.000 0.941 175 R CB 0.104 30.357 30.300 -0.077 0.000 0.998 175 R HN 0.586 nan 8.270 nan 0.000 0.452 176 I N 0.996 121.601 120.570 0.058 0.000 2.662 176 I HA 0.439 4.608 4.170 -0.000 0.000 0.291 176 I C 0.212 176.400 176.117 0.119 0.000 1.046 176 I CA -0.481 60.907 61.300 0.146 0.000 1.361 176 I CB 1.725 39.885 38.000 0.265 0.000 1.429 176 I HN 0.513 nan 8.210 nan 0.000 0.558 177 T N -0.400 114.241 114.554 0.145 0.000 2.888 177 T HA 0.352 4.702 4.350 -0.000 0.000 0.288 177 T C 0.352 175.131 174.700 0.131 0.000 1.063 177 T CA -0.615 61.544 62.100 0.100 0.000 1.010 177 T CB 1.588 70.489 68.868 0.055 0.000 1.214 177 T HN 0.612 nan 8.240 nan 0.000 0.533 178 D N 0.489 120.941 120.400 0.086 0.000 2.350 178 D HA -0.004 4.636 4.640 -0.000 0.000 0.216 178 D C 1.015 177.364 176.300 0.082 0.000 0.968 178 D CA 0.576 54.628 54.000 0.086 0.000 0.894 178 D CB -0.123 40.695 40.800 0.030 0.000 0.909 178 D HN 0.451 nan 8.370 nan 0.000 0.520 179 N N 0.281 119.030 118.700 0.081 0.000 2.370 179 N HA 0.062 4.801 4.740 -0.000 0.000 0.198 179 N C 0.384 176.023 175.510 0.216 0.000 1.156 179 N CA 0.209 53.310 53.050 0.084 0.000 0.839 179 N CB 0.323 38.818 38.487 0.013 0.000 0.989 179 N HN 0.391 nan 8.380 nan 0.000 0.468 180 M N -0.714 119.052 119.600 0.276 0.000 2.631 180 M HA 0.613 5.093 4.480 -0.000 0.000 0.288 180 M C -1.299 175.198 176.300 0.328 0.000 1.260 180 M CA -1.184 54.277 55.300 0.268 0.000 0.842 180 M CB 2.414 35.202 32.600 0.313 0.000 1.743 180 M HN -0.135 nan 8.290 nan 0.000 0.461 181 F N -0.096 119.923 119.950 0.115 0.000 2.626 181 F HA 0.884 5.411 4.527 -0.000 0.000 0.311 181 F C -1.016 174.649 175.800 -0.225 0.000 1.088 181 F CA -1.338 56.626 58.000 -0.061 0.000 0.949 181 F CB 0.876 39.760 39.000 -0.194 0.000 1.322 181 F HN 1.041 nan 8.300 nan 0.000 0.461 182 c N 1.789 120.279 118.600 -0.183 0.000 2.562 182 c HA 1.027 5.596 4.570 -0.000 0.000 0.332 182 c C -0.423 173.565 174.090 -0.169 0.000 1.201 182 c CA -0.018 55.995 56.329 -0.526 0.000 1.803 182 c CB 0.707 42.459 42.510 -1.263 0.000 2.328 182 c HN 1.552 nan 8.230 nan 0.000 0.500 183 A N 1.497 124.281 122.820 -0.060 0.000 2.455 183 A HA 0.723 5.042 4.320 -0.000 0.000 0.300 183 A C -1.513 176.162 177.584 0.151 0.000 1.040 183 A CA -0.449 51.604 52.037 0.026 0.000 0.697 183 A CB 0.624 19.644 19.000 0.033 0.000 1.265 183 A HN 0.893 nan 8.150 nan 0.000 0.407 184 Y N 1.344 121.770 120.300 0.210 0.000 2.304 184 Y HA 0.245 4.795 4.550 -0.001 0.000 0.327 184 Y C 1.538 177.579 175.900 0.236 0.000 1.209 184 Y CA 0.182 58.391 58.100 0.181 0.000 1.299 184 Y CB 1.154 39.676 38.460 0.103 0.000 1.249 184 Y HN 0.747 nan 8.280 nan 0.000 0.519 185 K N 1.487 122.116 120.400 0.382 0.000 2.432 185 K HA -0.040 4.280 4.320 -0.000 0.000 0.196 185 K C 0.137 176.858 176.600 0.202 0.000 1.038 185 K CA 0.209 56.691 56.287 0.326 0.000 0.986 185 K CB 0.026 32.672 32.500 0.243 0.000 0.782 185 K HN 0.531 nan 8.250 nan 0.000 0.485 186 K N 1.171 121.353 120.400 -0.362 0.000 2.239 186 K HA -0.238 4.082 4.320 -0.000 0.000 0.548 186 K C 0.105 176.452 176.600 -0.420 0.000 2.173 186 K CA 1.279 57.211 56.287 -0.592 0.000 1.637 186 K CB -0.167 31.541 32.500 -1.321 0.000 1.787 186 K HN 0.280 nan 8.250 nan 0.000 0.739 187 R N -0.940 119.439 120.500 -0.202 0.000 3.045 187 R HA 0.757 5.097 4.340 -0.000 0.000 0.245 187 R C -0.054 176.357 176.300 0.186 0.000 1.333 187 R CA -0.550 55.586 56.100 0.060 0.000 1.036 187 R CB 1.994 32.312 30.300 0.029 0.000 1.340 187 R HN 0.920 nan 8.270 nan 0.000 0.488 188 G N 0.819 109.728 108.800 0.181 0.000 2.453 188 G HA2 0.247 4.206 3.960 -0.000 0.000 0.665 188 G HA3 0.247 4.206 3.960 -0.000 0.000 0.665 188 G C -1.952 173.054 174.900 0.177 0.000 1.411 188 G CA -0.509 44.699 45.100 0.180 0.000 0.889 188 G HN 0.604 nan 8.290 nan 0.000 0.651 189 D N -0.747 119.741 120.400 0.146 0.000 2.807 189 D HA 0.747 5.386 4.640 -0.000 0.000 0.279 189 D C 0.256 176.641 176.300 0.141 0.000 1.247 189 D CA 0.681 54.770 54.000 0.149 0.000 0.749 189 D CB 1.271 42.134 40.800 0.105 0.000 1.264 189 D HN 1.338 nan 8.370 nan 0.000 0.421 190 A N -0.144 122.766 122.820 0.150 0.000 2.239 190 A HA 0.821 5.141 4.320 -0.000 0.000 0.303 190 A C -0.087 177.549 177.584 0.088 0.000 1.114 190 A CA -0.106 52.007 52.037 0.127 0.000 0.871 190 A CB 0.855 19.935 19.000 0.134 0.000 1.201 190 A HN 0.717 nan 8.150 nan 0.000 0.506 191 c N -1.559 117.093 118.600 0.087 0.000 3.293 191 c HA 0.504 5.074 4.570 -0.000 0.000 0.362 191 c C -0.249 173.897 174.090 0.093 0.000 1.539 191 c CA -0.515 55.863 56.329 0.082 0.000 1.201 191 c CB 0.764 43.321 42.510 0.079 0.000 1.770 191 c HN 1.054 nan 8.230 nan 0.000 0.440 192 E N 0.301 120.553 120.200 0.087 0.000 2.608 192 E HA 0.319 4.669 4.350 -0.000 0.000 0.259 192 E C 1.112 177.775 176.600 0.106 0.000 0.951 192 E CA 1.633 58.089 56.400 0.094 0.000 0.945 192 E CB 0.089 29.831 29.700 0.070 0.000 0.916 192 E HN 1.540 nan 8.360 nan 0.000 0.477 193 G N 4.526 113.399 108.800 0.121 0.000 2.241 193 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.244 193 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.244 193 G C 0.678 175.670 174.900 0.152 0.000 0.998 193 G CA 0.347 45.524 45.100 0.128 0.000 0.621 193 G HN 0.681 nan 8.290 nan 0.000 0.519 194 D N 1.047 121.534 120.400 0.145 0.000 2.289 194 D HA 0.160 4.799 4.640 -0.000 0.000 0.207 194 D C 1.480 177.869 176.300 0.147 0.000 0.966 194 D CA 0.837 54.927 54.000 0.149 0.000 0.868 194 D CB -0.090 40.788 40.800 0.131 0.000 0.943 194 D HN 0.381 nan 8.370 nan 0.000 0.514 195 S N -0.417 115.371 115.700 0.146 0.000 2.643 195 S HA 0.205 4.674 4.470 -0.000 0.000 0.310 195 S C 1.567 176.211 174.600 0.074 0.000 1.253 195 S CA 0.971 59.251 58.200 0.133 0.000 1.047 195 S CB 0.600 63.907 63.200 0.178 0.000 0.767 195 S HN 0.508 nan 8.310 nan 0.000 0.498 196 G N 2.263 111.107 108.800 0.073 0.000 2.241 196 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 196 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 196 G C 0.410 175.404 174.900 0.157 0.000 0.998 196 G CA -0.026 45.125 45.100 0.086 0.000 0.621 196 G HN 1.164 nan 8.290 nan 0.000 0.519 197 G N 1.062 109.970 108.800 0.180 0.000 2.606 197 G HA2 0.577 4.537 3.960 -0.000 0.000 0.252 197 G HA3 0.577 4.537 3.960 -0.000 0.000 0.252 197 G C -1.915 173.138 174.900 0.255 0.000 1.206 197 G CA -0.186 45.042 45.100 0.213 0.000 0.861 197 G HN 0.366 nan 8.290 nan 0.000 0.561 198 P HA 0.268 nan 4.420 nan 0.000 0.286 198 P C -1.352 176.143 177.300 0.325 0.000 1.261 198 P CA -0.543 62.730 63.100 0.288 0.000 0.821 198 P CB 1.515 33.362 31.700 0.246 0.000 1.013 199 F N 4.888 124.955 119.950 0.195 0.000 2.293 199 F HA 0.328 4.855 4.527 -0.000 0.000 0.370 199 F C -0.393 175.495 175.800 0.147 0.000 1.090 199 F CA -0.785 57.287 58.000 0.120 0.000 1.133 199 F CB 0.385 39.367 39.000 -0.030 0.000 1.360 199 F HN 0.124 nan 8.300 nan 0.000 0.489 200 V N 4.043 123.998 119.914 0.069 0.000 2.837 200 V HA 0.671 4.791 4.120 -0.000 0.000 0.310 200 V C -0.431 175.772 176.094 0.181 0.000 1.059 200 V CA -0.826 61.589 62.300 0.192 0.000 1.004 200 V CB 1.908 33.883 31.823 0.253 0.000 1.045 200 V HN 0.784 nan 8.190 nan 0.000 0.465 201 M N 2.466 122.237 119.600 0.285 0.000 2.446 201 M HA 0.492 4.971 4.480 -0.000 0.000 0.294 201 M C -0.854 175.441 176.300 -0.008 0.000 1.158 201 M CA -0.513 54.870 55.300 0.138 0.000 0.899 201 M CB 2.674 35.329 32.600 0.092 0.000 1.687 201 M HN 0.807 nan 8.290 nan 0.000 0.455 202 K N 1.173 121.314 120.400 -0.431 0.000 2.227 202 K HA 0.385 4.704 4.320 -0.000 0.000 0.280 202 K C 0.204 176.586 176.600 -0.364 0.000 1.041 202 K CA -0.139 55.654 56.287 -0.823 0.000 0.905 202 K CB 1.561 33.201 32.500 -1.432 0.000 1.068 202 K HN 0.733 nan 8.250 nan 0.000 0.470 203 S N 3.516 119.100 115.700 -0.193 0.000 2.240 203 S HA -0.117 4.353 4.470 -0.000 0.000 0.154 203 S C 0.707 175.220 174.600 -0.145 0.000 1.332 203 S CA 1.138 59.269 58.200 -0.115 0.000 2.219 203 S CB -0.295 62.909 63.200 0.007 0.000 0.433 203 S HN 0.984 nan 8.310 nan 0.000 0.355 204 N N 2.374 121.071 118.700 -0.006 0.000 2.048 204 N HA -0.357 4.383 4.740 -0.000 0.000 0.229 204 N C 0.170 175.675 175.510 -0.009 0.000 1.384 204 N CA 1.877 54.934 53.050 0.011 0.000 0.812 204 N CB -2.795 35.724 38.487 0.053 0.000 1.303 204 N HN 1.019 nan 8.380 nan 0.000 0.639 205 N N -2.640 116.029 118.700 -0.051 0.000 2.701 205 N HA -0.351 4.389 4.740 -0.000 0.000 0.250 205 N C -0.854 174.570 175.510 -0.144 0.000 1.046 205 N CA 0.808 53.784 53.050 -0.123 0.000 0.733 205 N CB -0.985 37.442 38.487 -0.101 0.000 0.973 205 N HN 0.626 nan 8.380 nan 0.000 0.541 206 R N -0.775 119.668 120.500 -0.096 0.000 2.643 206 R HA 0.410 4.750 4.340 -0.000 0.000 0.272 206 R C -0.691 175.476 176.300 -0.223 0.000 0.995 206 R CA -0.574 55.456 56.100 -0.117 0.000 1.032 206 R CB 0.617 30.819 30.300 -0.162 0.000 1.126 206 R HN 0.209 nan 8.270 nan 0.000 0.505 207 W N 1.373 122.562 121.300 -0.185 0.000 2.361 207 W HA 0.292 4.952 4.660 -0.000 0.000 0.309 207 W C -0.650 175.603 176.519 -0.443 0.000 1.122 207 W CA -0.060 57.162 57.345 -0.205 0.000 1.208 207 W CB 0.605 29.934 29.460 -0.219 0.000 1.246 207 W HN 0.379 nan 8.180 nan 0.000 0.490 208 Y N 1.588 121.904 120.300 0.026 0.000 2.352 208 Y HA 0.214 4.764 4.550 -0.001 0.000 0.339 208 Y C 0.276 176.184 175.900 0.014 0.000 0.992 208 Y CA -1.232 56.856 58.100 -0.020 0.000 1.100 208 Y CB 1.693 40.147 38.460 -0.009 0.000 1.192 208 Y HN 0.315 nan 8.280 nan 0.000 0.458 209 Q N 3.681 123.547 119.800 0.110 0.000 2.361 209 Q HA 0.189 4.529 4.340 -0.000 0.000 0.250 209 Q C -0.000 176.152 176.000 0.253 0.000 1.023 209 Q CA -0.393 55.497 55.803 0.145 0.000 0.915 209 Q CB 0.599 29.373 28.738 0.060 0.000 1.238 209 Q HN 0.758 nan 8.270 nan 0.000 0.451 210 M N 2.012 121.808 119.600 0.326 0.000 2.486 210 M HA 0.276 4.756 4.480 -0.000 0.000 0.264 210 M C 0.763 177.312 176.300 0.415 0.000 1.125 210 M CA 0.576 56.056 55.300 0.301 0.000 1.144 210 M CB -0.037 32.677 32.600 0.190 0.000 1.353 210 M HN 0.568 nan 8.290 nan 0.000 0.466 211 G N 0.172 109.255 108.800 0.472 0.000 2.733 211 G HA2 0.755 4.715 3.960 -0.000 0.000 0.288 211 G HA3 0.755 4.715 3.960 -0.000 0.000 0.288 211 G C -1.431 173.676 174.900 0.344 0.000 1.373 211 G CA -0.583 44.734 45.100 0.361 0.000 0.895 211 G HN 0.141 nan 8.290 nan 0.000 0.479 212 I N 0.674 121.408 120.570 0.274 0.000 2.478 212 I HA 0.221 4.390 4.170 -0.000 0.000 0.287 212 I C -0.070 176.163 176.117 0.193 0.000 1.042 212 I CA -0.963 60.487 61.300 0.250 0.000 1.067 212 I CB 2.311 40.418 38.000 0.178 0.000 1.233 212 I HN 0.136 nan 8.210 nan 0.000 0.431 213 V N 5.106 125.143 119.914 0.205 0.000 2.539 213 V HA -0.083 4.037 4.120 -0.000 0.000 0.300 213 V C 0.976 177.061 176.094 -0.016 0.000 1.019 213 V CA 1.025 63.294 62.300 -0.052 0.000 1.160 213 V CB 0.817 32.684 31.823 0.073 0.000 0.901 213 V HN 0.986 nan 8.190 nan 0.000 0.481 214 S N 5.453 121.077 115.700 -0.127 0.000 2.979 214 S HA 0.316 4.786 4.470 -0.000 0.000 0.243 214 S C 0.019 174.785 174.600 0.277 0.000 1.036 214 S CA 0.022 58.321 58.200 0.165 0.000 0.846 214 S CB 0.503 63.818 63.200 0.191 0.000 0.806 214 S HN 0.871 nan 8.310 nan 0.000 0.568 215 W N -0.086 121.185 121.300 -0.048 0.000 2.959 215 W HA 0.648 5.308 4.660 -0.000 0.000 0.358 215 W C -0.560 175.972 176.519 0.022 0.000 1.228 215 W CA -0.573 56.741 57.345 -0.051 0.000 1.183 215 W CB 0.397 29.794 29.460 -0.106 0.000 1.467 215 W HN 0.528 nan 8.180 nan 0.000 0.578 216 G N 0.316 109.340 108.800 0.374 0.000 2.489 216 G HA2 0.431 4.391 3.960 -0.000 0.000 0.291 216 G HA3 0.431 4.391 3.960 -0.000 0.000 0.291 216 G C -2.006 173.070 174.900 0.293 0.000 1.487 216 G CA -0.873 44.382 45.100 0.258 0.000 0.795 216 G HN 0.510 nan 8.290 nan 0.000 0.513 220 c N 0.261 118.894 118.600 0.055 0.000 3.206 220 c HA 0.852 5.422 4.570 -0.000 0.000 0.206 220 c C 0.225 174.342 174.090 0.046 0.000 1.836 220 c CA -0.444 55.917 56.329 0.055 0.000 1.382 220 c CB -1.148 41.399 42.510 0.061 0.000 2.405 220 c HN 0.673 nan 8.230 nan 0.000 0.516 221 R N 0.524 121.018 120.500 -0.010 0.000 3.681 221 R HA 0.177 4.517 4.340 -0.000 0.000 0.252 221 R C -2.020 174.241 176.300 -0.066 0.000 1.000 221 R CA -0.412 55.678 56.100 -0.017 0.000 1.056 221 R CB 0.558 30.856 30.300 -0.002 0.000 1.243 221 R HN 0.223 nan 8.270 nan 0.000 0.549 222 D N 1.179 121.554 120.400 -0.042 0.000 2.425 222 D HA 0.265 4.905 4.640 -0.000 0.000 0.247 222 D C 1.175 177.423 176.300 -0.086 0.000 1.147 222 D CA 2.042 56.008 54.000 -0.057 0.000 0.879 222 D CB 1.222 42.017 40.800 -0.010 0.000 1.179 222 D HN 0.770 nan 8.370 nan 0.000 0.456 223 G N 1.597 110.299 108.800 -0.164 0.000 2.143 223 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.249 223 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.249 223 G C 0.430 175.182 174.900 -0.247 0.000 0.981 223 G CA 0.334 45.362 45.100 -0.120 0.000 0.665 223 G HN 0.446 nan 8.290 nan 0.000 0.528 224 K N -0.619 119.483 120.400 -0.497 0.000 2.318 224 K HA 0.814 5.133 4.320 -0.000 0.000 0.249 224 K C -0.861 175.292 176.600 -0.746 0.000 0.942 224 K CA -0.817 55.259 56.287 -0.351 0.000 0.808 224 K CB 1.135 33.569 32.500 -0.111 0.000 1.189 224 K HN 0.168 nan 8.250 nan 0.000 0.428 225 Y N -0.687 119.643 120.300 0.049 0.000 2.524 225 Y HA 0.528 5.078 4.550 -0.000 0.000 0.347 225 Y C 0.726 176.530 175.900 -0.161 0.000 1.005 225 Y CA -1.264 56.786 58.100 -0.084 0.000 1.025 225 Y CB 2.144 40.469 38.460 -0.225 0.000 1.275 225 Y HN 0.664 nan 8.280 nan 0.000 0.460 226 G N 1.128 109.914 108.800 -0.024 0.000 2.467 226 G HA2 0.434 4.394 3.960 -0.000 0.000 0.257 226 G HA3 0.434 4.394 3.960 -0.000 0.000 0.257 226 G C -1.439 173.157 174.900 -0.507 0.000 1.227 226 G CA -0.093 44.913 45.100 -0.157 0.000 0.835 226 G HN 0.335 nan 8.290 nan 0.000 0.556 227 F N -0.061 119.378 119.950 -0.851 0.000 2.508 227 F HA 0.563 5.089 4.527 -0.000 0.000 0.325 227 F C -0.553 174.589 175.800 -1.096 0.000 1.090 227 F CA -0.476 56.936 58.000 -0.980 0.000 0.945 227 F CB 2.231 40.197 39.000 -1.724 0.000 1.156 227 F HN 0.320 nan 8.300 nan 0.000 0.463 228 Y N -0.124 119.816 120.300 -0.599 0.000 2.462 228 Y HA 0.410 4.960 4.550 -0.000 0.000 0.346 228 Y C 0.119 175.736 175.900 -0.471 0.000 0.976 228 Y CA -1.463 56.262 58.100 -0.625 0.000 1.044 228 Y CB 1.712 39.468 38.460 -1.175 0.000 1.230 228 Y HN 0.388 nan 8.280 nan 0.000 0.455 229 T N 1.713 116.233 114.554 -0.056 0.000 2.799 229 T HA -0.005 4.345 4.350 -0.000 0.000 0.296 229 T C -0.309 174.480 174.700 0.147 0.000 0.947 229 T CA -0.098 62.048 62.100 0.077 0.000 1.141 229 T CB -0.566 68.373 68.868 0.118 0.000 0.891 229 T HN 0.578 nan 8.240 nan 0.000 0.533 230 H N 3.670 122.820 119.070 0.133 0.000 3.086 230 H HA 0.169 4.724 4.556 -0.001 0.000 0.265 230 H C 1.122 176.594 175.328 0.239 0.000 1.092 230 H CA -0.605 55.630 56.048 0.313 0.000 1.487 230 H CB 0.272 30.226 29.762 0.320 0.000 1.514 230 H HN 0.400 nan 8.280 nan 0.000 0.497 231 V N 5.992 126.195 119.914 0.482 0.000 2.358 231 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 231 V C 2.019 178.312 176.094 0.332 0.000 1.047 231 V CA 1.780 64.296 62.300 0.360 0.000 1.035 231 V CB -0.769 31.243 31.823 0.314 0.000 0.658 231 V HN 0.718 nan 8.190 nan 0.000 0.452 232 F N 1.376 121.541 119.950 0.359 0.000 2.171 232 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 232 F C 2.541 178.420 175.800 0.131 0.000 1.090 232 F CA 1.546 59.682 58.000 0.226 0.000 1.293 232 F CB -0.396 38.739 39.000 0.225 0.000 1.013 232 F HN -0.069 nan 8.300 nan 0.000 0.486 233 R N 0.306 120.669 120.500 -0.228 0.000 2.159 233 R HA -0.097 4.242 4.340 -0.000 0.000 0.237 233 R C 1.565 177.722 176.300 -0.238 0.000 1.131 233 R CA 1.422 57.280 56.100 -0.404 0.000 0.982 233 R CB -0.541 29.503 30.300 -0.427 0.000 0.868 233 R HN 0.382 nan 8.270 nan 0.000 0.453 234 L N -0.232 120.950 121.223 -0.068 0.000 2.910 234 L HA 0.159 4.499 4.340 -0.000 0.000 0.252 234 L C 1.848 178.804 176.870 0.144 0.000 1.195 234 L CA -0.084 54.805 54.840 0.082 0.000 1.003 234 L CB 0.236 42.385 42.059 0.150 0.000 1.328 234 L HN -0.060 nan 8.230 nan 0.000 0.540 235 K N 0.808 121.186 120.400 -0.035 0.000 2.211 235 K HA -0.122 4.198 4.320 -0.000 0.000 0.203 235 K C 1.823 178.415 176.600 -0.013 0.000 1.050 235 K CA 1.148 57.427 56.287 -0.013 0.000 0.945 235 K CB 0.259 32.719 32.500 -0.066 0.000 0.732 235 K HN 0.231 nan 8.250 nan 0.000 0.451 236 K N -0.696 119.690 120.400 -0.024 0.000 2.057 236 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 236 K C 1.742 178.360 176.600 0.031 0.000 1.050 236 K CA 1.483 57.765 56.287 -0.008 0.000 0.935 236 K CB -0.235 32.264 32.500 -0.003 0.000 0.715 236 K HN 0.270 nan 8.250 nan 0.000 0.439 237 W N 2.027 123.304 121.300 -0.038 0.000 2.355 237 W HA -0.163 4.497 4.660 -0.000 0.000 0.309 237 W C 1.519 177.990 176.519 -0.080 0.000 1.206 237 W CA 1.369 58.688 57.345 -0.043 0.000 1.284 237 W CB -0.329 29.146 29.460 0.025 0.000 1.145 237 W HN -0.097 nan 8.180 nan 0.000 0.502 238 I N 0.619 121.112 120.570 -0.128 0.000 2.151 238 I HA -0.429 3.740 4.170 -0.000 0.000 0.243 238 I C 2.581 178.392 176.117 -0.509 0.000 1.080 238 I CA 2.072 63.120 61.300 -0.419 0.000 1.339 238 I CB -0.866 37.074 38.000 -0.101 0.000 1.039 238 I HN 0.131 nan 8.210 nan 0.000 0.409 239 Q N 0.473 120.088 119.800 -0.307 0.000 2.084 239 Q HA -0.219 4.120 4.340 -0.000 0.000 0.202 239 Q C 2.250 178.046 176.000 -0.340 0.000 0.978 239 Q CA 1.538 57.169 55.803 -0.286 0.000 0.844 239 Q CB 0.001 28.645 28.738 -0.158 0.000 0.898 239 Q HN 0.410 nan 8.270 nan 0.000 0.426 240 K N -0.329 119.872 120.400 -0.330 0.000 2.032 240 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 240 K C 2.066 178.402 176.600 -0.440 0.000 1.048 240 K CA 1.532 57.628 56.287 -0.319 0.000 0.927 240 K CB -0.185 32.169 32.500 -0.244 0.000 0.712 240 K HN 0.037 nan 8.250 nan 0.000 0.441 241 V N 1.822 121.355 119.914 -0.636 0.000 2.255 241 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 241 V C 2.211 177.922 176.094 -0.637 0.000 1.051 241 V CA 1.842 63.756 62.300 -0.645 0.000 1.018 241 V CB -0.415 30.746 31.823 -1.103 0.000 0.641 241 V HN 0.283 nan 8.190 nan 0.000 0.445 242 I N 0.124 120.173 120.570 -0.869 0.000 2.361 242 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 242 I C 2.105 178.003 176.117 -0.366 0.000 1.133 242 I CA 1.464 62.239 61.300 -0.875 0.000 1.413 242 I CB -0.415 37.023 38.000 -0.937 0.000 1.073 242 I HN 0.344 nan 8.210 nan 0.000 0.424 243 D N -0.099 120.104 120.400 -0.329 0.000 2.234 243 D HA -0.162 4.478 4.640 -0.000 0.000 0.205 243 D C 2.047 178.201 176.300 -0.243 0.000 0.962 243 D CA 0.832 54.700 54.000 -0.219 0.000 0.855 243 D CB -0.052 40.631 40.800 -0.194 0.000 0.951 243 D HN 0.422 nan 8.370 nan 0.000 0.500 244 Q N -0.976 118.585 119.800 -0.398 0.000 2.123 244 Q HA -0.030 4.309 4.340 -0.000 0.000 0.196 244 Q C -0.052 175.554 176.000 -0.657 0.000 0.958 244 Q CA 0.594 56.026 55.803 -0.619 0.000 0.841 244 Q CB 0.293 28.435 28.738 -0.993 0.000 0.915 244 Q HN 0.058 nan 8.270 nan 0.000 0.455 245 F N -0.204 119.728 119.950 -0.031 0.000 2.450 245 F HA 0.536 5.063 4.527 -0.000 0.000 0.328 245 F C 1.134 177.103 175.800 0.281 0.000 1.068 245 F CA -0.192 57.889 58.000 0.135 0.000 1.007 245 F CB 0.418 39.525 39.000 0.179 0.000 1.251 245 F HN 0.270 nan 8.300 nan 0.000 0.492 246 G N 0.000 109.076 108.800 0.460 0.000 5.446 246 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 246 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 246 G CA 0.000 45.290 45.100 0.316 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925