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 2a45_1_E 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 0.000 176.143 176.117 0.043 0.000 1.063 16 I CA 0.000 61.333 61.300 0.055 0.000 1.566 16 I CB 0.000 38.014 38.000 0.023 0.000 1.214 17 V N 4.059 124.000 119.914 0.046 0.000 2.743 17 V HA 0.511 4.622 4.120 -0.014 0.000 0.301 17 V C 0.771 176.873 176.094 0.014 0.000 1.057 17 V CA -0.830 61.490 62.300 0.033 0.000 1.006 17 V CB 1.361 33.209 31.823 0.041 0.000 1.024 17 V HN 0.742 nan 8.190 nan 0.000 0.473 18 E N 1.284 121.485 120.200 0.002 0.000 2.708 18 E HA -0.184 4.158 4.350 -0.014 0.000 0.150 18 E C 0.314 176.899 176.600 -0.026 0.000 1.853 18 E CA 0.716 57.105 56.400 -0.018 0.000 0.643 18 E CB -0.853 28.826 29.700 -0.035 0.000 1.078 18 E HN 1.093 nan 8.360 nan 0.000 0.345 19 G N 0.314 109.102 108.800 -0.021 0.000 2.911 19 G HA2 0.741 4.692 3.960 -0.014 0.000 0.299 19 G HA3 0.741 4.692 3.960 -0.014 0.000 0.299 19 G C -1.127 173.758 174.900 -0.026 0.000 1.283 19 G CA 0.038 45.122 45.100 -0.027 0.000 0.805 19 G HN 0.353 nan 8.290 nan 0.000 0.548 20 S N -0.022 115.660 115.700 -0.029 0.000 2.575 20 S HA 0.410 4.872 4.470 -0.014 0.000 0.278 20 S C -1.714 172.868 174.600 -0.030 0.000 1.139 20 S CA -0.863 57.323 58.200 -0.023 0.000 0.954 20 S CB 1.757 64.947 63.200 -0.018 0.000 1.054 20 S HN 0.540 nan 8.310 nan 0.000 0.483 21 D N 2.720 123.105 120.400 -0.024 0.000 3.030 21 D HA 0.319 4.951 4.640 -0.014 0.000 0.281 21 D C 1.031 177.315 176.300 -0.027 0.000 1.522 21 D CA 0.560 54.539 54.000 -0.035 0.000 1.219 21 D CB -0.837 39.958 40.800 -0.009 0.000 1.176 21 D HN 0.869 nan 8.370 nan 0.000 0.603 22 A N 2.664 125.448 122.820 -0.060 0.000 2.664 22 A HA -0.106 4.206 4.320 -0.014 0.000 0.228 22 A C 0.902 178.534 177.584 0.080 0.000 1.091 22 A CA 0.335 52.355 52.037 -0.029 0.000 0.793 22 A CB 0.210 19.153 19.000 -0.094 0.000 1.003 22 A HN 0.573 nan 8.150 nan 0.000 0.510 23 E N -0.444 119.792 120.200 0.061 0.000 2.869 23 E HA 0.448 4.790 4.350 -0.014 0.000 0.258 23 E C -0.463 176.183 176.600 0.076 0.000 1.354 23 E CA -0.510 55.928 56.400 0.063 0.000 1.065 23 E CB 0.397 30.102 29.700 0.010 0.000 1.215 23 E HN 0.550 nan 8.360 nan 0.000 0.659 24 I N 0.764 121.309 120.570 -0.042 0.000 2.321 24 I HA 0.235 4.397 4.170 -0.014 0.000 0.291 24 I C 0.938 177.013 176.117 -0.071 0.000 0.998 24 I CA 0.102 61.324 61.300 -0.130 0.000 1.227 24 I CB 0.888 38.784 38.000 -0.174 0.000 1.368 24 I HN 0.879 nan 8.210 nan 0.000 0.466 25 G N 4.753 113.512 108.800 -0.069 0.000 2.225 25 G HA2 -0.348 3.604 3.960 -0.014 0.000 0.254 25 G HA3 -0.348 3.604 3.960 -0.014 0.000 0.254 25 G C 0.984 175.746 174.900 -0.229 0.000 0.988 25 G CA 0.516 45.550 45.100 -0.109 0.000 0.625 25 G HN 0.577 nan 8.290 nan 0.000 0.527 26 M N 0.364 119.855 119.600 -0.182 0.000 2.103 26 M HA -0.085 4.386 4.480 -0.014 0.000 0.255 26 M C 1.622 177.685 176.300 -0.396 0.000 1.074 26 M CA 2.197 57.362 55.300 -0.226 0.000 1.090 26 M CB -0.075 32.433 32.600 -0.154 0.000 1.325 26 M HN 0.462 nan 8.290 nan 0.000 0.403 27 S N -0.184 115.259 115.700 -0.428 0.000 2.622 27 S HA 0.336 4.798 4.470 -0.014 0.000 0.283 27 S C -2.046 172.044 174.600 -0.850 0.000 1.197 27 S CA -1.564 56.194 58.200 -0.736 0.000 1.146 27 S CB 0.976 64.036 63.200 -0.234 0.000 1.007 27 S HN 0.106 nan 8.310 nan 0.000 0.478 28 P HA 0.241 nan 4.420 nan 0.000 0.257 28 P C 0.082 177.138 177.300 -0.406 0.000 1.281 28 P CA -0.092 62.622 63.100 -0.642 0.000 0.826 28 P CB -0.261 31.101 31.700 -0.564 0.000 1.237 29 W N -1.481 119.856 121.300 0.062 0.000 2.940 29 W HA 0.422 5.074 4.660 -0.014 0.000 0.297 29 W C 0.700 177.271 176.519 0.087 0.000 1.149 29 W CA -0.395 57.001 57.345 0.086 0.000 1.564 29 W CB -1.330 28.171 29.460 0.069 0.000 1.010 29 W HN -0.190 nan 8.180 nan 0.000 0.578 30 Q N 2.957 122.867 119.800 0.183 0.000 2.364 30 Q HA 0.166 4.498 4.340 -0.014 0.000 0.263 30 Q C -0.192 175.969 176.000 0.267 0.000 1.276 30 Q CA 0.271 56.178 55.803 0.172 0.000 0.923 30 Q CB -0.062 28.629 28.738 -0.079 0.000 1.477 30 Q HN 0.150 nan 8.270 nan 0.000 0.484 31 V N 3.871 123.967 119.914 0.303 0.000 2.904 31 V HA 0.365 4.477 4.120 -0.014 0.000 0.305 31 V C 0.267 176.591 176.094 0.384 0.000 1.067 31 V CA -0.675 61.800 62.300 0.291 0.000 1.044 31 V CB 1.415 33.375 31.823 0.228 0.000 1.050 31 V HN 0.845 nan 8.190 nan 0.000 0.475 32 M N 3.871 123.621 119.600 0.251 0.000 2.151 32 M HA 0.472 4.944 4.480 -0.014 0.000 0.290 32 M C -1.568 174.790 176.300 0.098 0.000 0.965 32 M CA -0.479 54.910 55.300 0.149 0.000 0.930 32 M CB 1.330 33.810 32.600 -0.201 0.000 1.560 32 M HN 0.651 nan 8.290 nan 0.000 0.438 33 L N 5.322 126.632 121.223 0.144 0.000 2.290 33 L HA 0.477 4.809 4.340 -0.014 0.000 0.284 33 L C -1.743 175.257 176.870 0.217 0.000 1.078 33 L CA -0.094 54.831 54.840 0.141 0.000 0.815 33 L CB 0.693 42.820 42.059 0.112 0.000 1.162 33 L HN 0.734 nan 8.230 nan 0.000 0.435 34 F N 4.962 124.892 119.950 -0.034 0.000 2.563 34 F HA 0.509 5.027 4.527 -0.016 0.000 0.316 34 F C 0.222 175.999 175.800 -0.038 0.000 1.076 34 F CA -0.662 57.309 58.000 -0.050 0.000 0.921 34 F CB 1.423 40.381 39.000 -0.070 0.000 1.209 34 F HN 0.429 nan 8.300 nan 0.000 0.462 35 R N 1.204 121.511 120.500 -0.322 0.000 2.519 35 R HA 0.341 4.673 4.340 -0.014 0.000 0.244 35 R C -0.401 175.782 176.300 -0.195 0.000 1.241 35 R CA -0.343 55.619 56.100 -0.230 0.000 1.120 35 R CB 1.248 31.386 30.300 -0.271 0.000 1.333 35 R HN 0.652 nan 8.270 nan 0.000 0.587 36 S N 2.530 118.194 115.700 -0.059 0.000 2.555 36 S HA 0.099 4.561 4.470 -0.014 0.000 0.293 36 S C -1.837 172.716 174.600 -0.079 0.000 1.248 36 S CA -0.902 57.261 58.200 -0.063 0.000 1.096 36 S CB 0.330 63.505 63.200 -0.042 0.000 0.881 36 S HN 0.343 nan 8.310 nan 0.000 0.498 37 P HA 0.190 nan 4.420 nan 0.000 0.297 37 P C -1.219 175.973 177.300 -0.179 0.000 1.303 37 P CA -0.623 62.413 63.100 -0.106 0.000 0.753 37 P CB 0.450 32.092 31.700 -0.096 0.000 1.281 38 Q N 0.390 120.083 119.800 -0.178 0.000 2.402 38 Q HA 0.327 4.659 4.340 -0.014 0.000 0.238 38 Q C -0.331 175.296 176.000 -0.623 0.000 1.126 38 Q CA 0.402 56.010 55.803 -0.325 0.000 0.904 38 Q CB 0.052 28.808 28.738 0.029 0.000 1.357 38 Q HN 0.421 nan 8.270 nan 0.000 0.491 39 E N 1.721 121.295 120.200 -1.044 0.000 2.234 39 E HA 0.300 4.642 4.350 -0.014 0.000 0.266 39 E C -0.996 174.961 176.600 -1.072 0.000 0.877 39 E CA -1.074 54.850 56.400 -0.794 0.000 0.758 39 E CB 1.980 31.448 29.700 -0.386 0.000 1.170 39 E HN 0.238 nan 8.360 nan 0.000 0.415 40 L N 5.214 126.197 121.223 -0.399 0.000 2.356 40 L HA 0.139 4.471 4.340 -0.014 0.000 0.282 40 L C -0.070 176.822 176.870 0.037 0.000 1.132 40 L CA 0.208 55.129 54.840 0.136 0.000 0.923 40 L CB -0.190 42.055 42.059 0.309 0.000 1.278 40 L HN 0.584 nan 8.230 nan 0.000 0.436 41 L N 3.227 124.456 121.223 0.010 0.000 2.068 41 L HA 0.252 4.584 4.340 -0.014 0.000 0.204 41 L C 0.762 177.682 176.870 0.083 0.000 1.076 41 L CA 0.617 55.471 54.840 0.023 0.000 0.753 41 L CB -1.079 40.972 42.059 -0.013 0.000 0.910 41 L HN 0.509 nan 8.230 nan 0.000 0.439 42 c N -0.887 117.780 118.600 0.111 0.000 3.239 42 c HA 0.729 5.291 4.570 -0.014 0.000 0.317 42 c C 0.585 174.799 174.090 0.206 0.000 1.310 42 c CA -1.139 55.275 56.329 0.142 0.000 1.371 42 c CB 1.021 43.573 42.510 0.071 0.000 1.714 42 c HN 0.525 nan 8.230 nan 0.000 0.473 43 G N 0.462 109.417 108.800 0.259 0.000 2.507 43 G HA2 0.655 4.607 3.960 -0.014 0.000 0.271 43 G HA3 0.655 4.607 3.960 -0.014 0.000 0.271 43 G C -0.318 174.732 174.900 0.250 0.000 1.189 43 G CA 0.532 45.837 45.100 0.341 0.000 0.859 43 G HN 1.308 nan 8.290 nan 0.000 0.542 44 A N -0.134 122.844 122.820 0.263 0.000 2.443 44 A HA 0.855 5.167 4.320 -0.014 0.000 0.278 44 A C -0.152 177.572 177.584 0.234 0.000 1.252 44 A CA -0.615 51.552 52.037 0.218 0.000 0.816 44 A CB 1.355 20.471 19.000 0.193 0.000 1.369 44 A HN 1.017 nan 8.150 nan 0.000 0.446 45 S N 1.088 116.922 115.700 0.224 0.000 2.667 45 S HA 0.417 4.879 4.470 -0.014 0.000 0.304 45 S C -0.665 174.082 174.600 0.245 0.000 1.135 45 S CA -0.445 57.894 58.200 0.232 0.000 1.125 45 S CB 0.859 64.184 63.200 0.209 0.000 0.996 45 S HN 0.645 nan 8.310 nan 0.000 0.474 46 L N 6.204 127.603 121.223 0.293 0.000 2.313 46 L HA 0.388 4.720 4.340 -0.014 0.000 0.282 46 L C -0.078 176.969 176.870 0.295 0.000 1.092 46 L CA 0.037 55.056 54.840 0.297 0.000 0.831 46 L CB 0.193 42.444 42.059 0.320 0.000 1.159 46 L HN 0.772 nan 8.230 nan 0.000 0.442 47 I N 1.593 122.316 120.570 0.255 0.000 3.817 47 I HA 0.335 4.497 4.170 -0.014 0.000 0.322 47 I C -0.167 176.079 176.117 0.215 0.000 1.512 47 I CA -0.133 61.293 61.300 0.209 0.000 1.066 47 I CB 0.021 38.117 38.000 0.160 0.000 1.336 47 I HN 0.551 nan 8.210 nan 0.000 0.539 48 S N 1.926 117.788 115.700 0.269 0.000 2.735 48 S HA 0.092 4.554 4.470 -0.014 0.000 0.279 48 S C -0.238 174.556 174.600 0.323 0.000 0.989 48 S CA 0.148 58.533 58.200 0.308 0.000 0.883 48 S CB 0.794 64.199 63.200 0.341 0.000 1.117 48 S HN 0.442 nan 8.310 nan 0.000 0.458 49 D N 1.601 122.224 120.400 0.372 0.000 2.351 49 D HA -0.032 4.600 4.640 -0.014 0.000 0.216 49 D C 0.999 177.341 176.300 0.070 0.000 0.968 49 D CA 0.965 55.057 54.000 0.154 0.000 0.899 49 D CB -0.066 40.775 40.800 0.068 0.000 0.907 49 D HN 0.471 nan 8.370 nan 0.000 0.514 50 R N -2.285 118.295 120.500 0.133 0.000 2.549 50 R HA 0.288 4.620 4.340 -0.014 0.000 0.399 50 R C -1.116 174.954 176.300 -0.382 0.000 0.964 50 R CA -0.433 55.604 56.100 -0.105 0.000 1.173 50 R CB 0.481 30.713 30.300 -0.112 0.000 1.535 50 R HN 0.039 nan 8.270 nan 0.000 0.551 51 W N -0.276 121.084 121.300 0.101 0.000 3.138 51 W HA 0.618 5.274 4.660 -0.007 0.000 0.331 51 W C -0.996 175.591 176.519 0.112 0.000 1.166 51 W CA -0.760 56.646 57.345 0.103 0.000 1.212 51 W CB 1.802 31.308 29.460 0.077 0.000 1.399 51 W HN -0.373 nan 8.180 nan 0.000 0.514 52 V N 3.510 123.636 119.914 0.355 0.000 2.851 52 V HA 0.379 4.491 4.120 -0.014 0.000 0.307 52 V C -1.142 175.110 176.094 0.263 0.000 1.129 52 V CA -0.946 61.517 62.300 0.271 0.000 0.932 52 V CB 2.163 34.108 31.823 0.205 0.000 1.024 52 V HN 0.357 nan 8.190 nan 0.000 0.426 53 L N 3.381 124.749 121.223 0.241 0.000 2.350 53 L HA 0.843 5.175 4.340 -0.014 0.000 0.275 53 L C 0.185 177.186 176.870 0.219 0.000 1.099 53 L CA 1.066 56.050 54.840 0.240 0.000 0.808 53 L CB 1.505 43.703 42.059 0.232 0.000 1.149 53 L HN 0.907 nan 8.230 nan 0.000 0.442 54 T N 2.773 117.454 114.554 0.212 0.000 2.830 54 T HA 0.661 5.003 4.350 -0.014 0.000 0.322 54 T C -1.216 173.550 174.700 0.109 0.000 1.501 54 T CA -0.231 61.961 62.100 0.154 0.000 1.036 54 T CB 1.004 69.944 68.868 0.119 0.000 1.379 54 T HN 0.853 nan 8.240 nan 0.000 0.493 55 A N 2.169 125.006 122.820 0.028 0.000 2.545 55 A HA 0.555 4.867 4.320 -0.014 0.000 0.253 55 A C 1.677 179.161 177.584 -0.167 0.000 1.074 55 A CA 0.564 52.555 52.037 -0.077 0.000 0.760 55 A CB -0.418 18.378 19.000 -0.340 0.000 1.005 55 A HN 1.319 nan 8.150 nan 0.000 0.506 56 A N 2.379 125.092 122.820 -0.178 0.000 1.908 56 A HA -0.197 4.115 4.320 -0.014 0.000 0.218 56 A C 1.940 179.306 177.584 -0.364 0.000 1.181 56 A CA 1.897 53.663 52.037 -0.452 0.000 0.627 56 A CB -1.065 17.272 19.000 -1.104 0.000 0.818 56 A HN 1.153 nan 8.150 nan 0.000 0.445 57 H N -1.378 117.617 119.070 -0.126 0.000 2.352 57 H HA -0.188 4.361 4.556 -0.013 0.000 0.299 57 H C 2.032 177.398 175.328 0.064 0.000 1.097 57 H CA 1.758 57.882 56.048 0.127 0.000 1.311 57 H CB -0.894 28.985 29.762 0.195 0.000 1.377 57 H HN 0.389 nan 8.280 nan 0.000 0.504 58 c N 1.617 119.889 118.600 -0.546 0.000 2.401 58 c HA -0.005 4.557 4.570 -0.014 0.000 0.286 58 c C 1.642 175.683 174.090 -0.082 0.000 1.332 58 c CA 0.046 56.189 56.329 -0.311 0.000 1.795 58 c CB -1.124 41.200 42.510 -0.311 0.000 1.922 58 c HN 0.382 nan 8.230 nan 0.000 0.520 59 L N 0.545 121.732 121.223 -0.060 0.000 2.416 59 L HA 0.342 4.674 4.340 -0.014 0.000 0.262 59 L C 0.819 177.698 176.870 0.015 0.000 1.093 59 L CA 0.459 55.290 54.840 -0.015 0.000 0.801 59 L CB 1.161 43.212 42.059 -0.013 0.000 1.191 59 L HN 0.234 nan 8.230 nan 0.000 0.459 60 T N -2.040 112.501 114.554 -0.021 0.000 2.922 60 T HA 0.314 4.656 4.350 -0.014 0.000 0.281 60 T C 0.894 175.573 174.700 -0.034 0.000 1.005 60 T CA -0.743 61.342 62.100 -0.025 0.000 0.982 60 T CB 1.306 70.159 68.868 -0.024 0.000 1.158 60 T HN 0.464 nan 8.240 nan 0.000 0.566 61 E N 1.607 121.777 120.200 -0.050 0.000 2.055 61 E HA -0.253 4.089 4.350 -0.014 0.000 0.209 61 E C 1.529 178.103 176.600 -0.044 0.000 1.036 61 E CA 2.218 58.583 56.400 -0.059 0.000 0.849 61 E CB -0.819 28.830 29.700 -0.084 0.000 0.767 61 E HN 0.919 nan 8.360 nan 0.000 0.461 62 N N 0.001 118.676 118.700 -0.041 0.000 2.535 62 N HA -0.064 4.668 4.740 -0.014 0.000 0.203 62 N C 0.191 175.683 175.510 -0.029 0.000 1.301 62 N CA 0.563 53.593 53.050 -0.034 0.000 0.859 62 N CB 0.344 38.812 38.487 -0.033 0.000 1.055 62 N HN 0.015 nan 8.380 nan 0.000 0.457 63 D N -0.672 119.711 120.400 -0.029 0.000 2.461 63 D HA 0.151 4.783 4.640 -0.014 0.000 0.266 63 D C -0.194 176.088 176.300 -0.030 0.000 1.085 63 D CA 0.259 54.240 54.000 -0.031 0.000 0.887 63 D CB 0.571 41.352 40.800 -0.033 0.000 1.309 63 D HN 0.256 nan 8.370 nan 0.000 0.498 64 L N -0.463 120.747 121.223 -0.021 0.000 2.333 64 L HA 0.723 5.054 4.340 -0.014 0.000 0.263 64 L C -0.742 176.135 176.870 0.012 0.000 1.014 64 L CA -1.043 53.792 54.840 -0.007 0.000 0.820 64 L CB 1.396 43.450 42.059 -0.007 0.000 1.352 64 L HN -0.270 nan 8.230 nan 0.000 0.421 65 L N 0.619 121.870 121.223 0.048 0.000 2.409 65 L HA 0.904 5.235 4.340 -0.014 0.000 0.255 65 L C -1.040 175.878 176.870 0.081 0.000 1.027 65 L CA -1.238 53.633 54.840 0.052 0.000 0.834 65 L CB 2.520 44.609 42.059 0.049 0.000 1.426 65 L HN 0.631 nan 8.230 nan 0.000 0.411 66 V N -1.263 118.682 119.914 0.052 0.000 2.588 66 V HA 0.617 4.729 4.120 -0.014 0.000 0.304 66 V C -0.702 175.406 176.094 0.022 0.000 1.042 66 V CA -0.827 61.507 62.300 0.056 0.000 0.877 66 V CB 1.626 33.488 31.823 0.066 0.000 0.996 66 V HN 0.709 nan 8.190 nan 0.000 0.425 67 R N 4.180 124.671 120.500 -0.015 0.000 2.204 67 R HA 0.604 4.936 4.340 -0.014 0.000 0.341 67 R C -0.999 175.304 176.300 0.005 0.000 1.035 67 R CA -0.536 55.532 56.100 -0.053 0.000 0.887 67 R CB 1.006 31.194 30.300 -0.185 0.000 1.114 67 R HN 0.683 nan 8.270 nan 0.000 0.473 68 I N 1.588 122.178 120.570 0.033 0.000 2.696 68 I HA 0.148 4.310 4.170 -0.014 0.000 0.284 68 I C 1.354 177.515 176.117 0.074 0.000 1.129 68 I CA 0.364 61.709 61.300 0.075 0.000 1.410 68 I CB 0.816 38.852 38.000 0.060 0.000 1.399 68 I HN 0.825 nan 8.210 nan 0.000 0.579 69 G N 4.167 113.039 108.800 0.120 0.000 2.363 69 G HA2 -0.246 3.705 3.960 -0.014 0.000 0.286 69 G HA3 -0.246 3.705 3.960 -0.014 0.000 0.286 69 G C 0.020 174.982 174.900 0.102 0.000 0.975 69 G CA -0.160 44.998 45.100 0.098 0.000 1.309 69 G HN 0.590 nan 8.290 nan 0.000 0.491 70 K N -0.979 119.594 120.400 0.288 0.000 2.238 70 K HA 0.601 4.913 4.320 -0.014 0.000 0.239 70 K C 0.562 177.487 176.600 0.542 0.000 0.987 70 K CA -0.968 55.510 56.287 0.319 0.000 0.857 70 K CB 1.790 34.385 32.500 0.159 0.000 1.154 70 K HN 0.331 nan 8.250 nan 0.000 0.439 71 H N -0.505 118.725 119.070 0.267 0.000 2.545 71 H HA 0.140 4.687 4.556 -0.014 0.000 0.251 71 H C -0.256 175.288 175.328 0.359 0.000 0.934 71 H CA 0.309 56.489 56.048 0.221 0.000 1.116 71 H CB 0.661 30.442 29.762 0.031 0.000 1.439 71 H HN 0.496 nan 8.280 nan 0.000 0.445 72 S N 1.608 117.454 115.700 0.244 0.000 2.480 72 S HA 0.210 4.672 4.470 -0.014 0.000 0.286 72 S C 1.215 175.807 174.600 -0.012 0.000 1.180 72 S CA -0.783 57.491 58.200 0.124 0.000 1.075 72 S CB 2.351 65.589 63.200 0.063 0.000 0.996 72 S HN 0.529 nan 8.310 nan 0.000 0.487 73 R N 1.878 122.333 120.500 -0.076 0.000 2.115 73 R HA -0.120 4.212 4.340 -0.014 0.000 0.230 73 R C 1.073 177.217 176.300 -0.261 0.000 1.111 73 R CA 2.050 57.917 56.100 -0.389 0.000 0.976 73 R CB -0.855 29.367 30.300 -0.128 0.000 0.870 73 R HN 0.845 nan 8.270 nan 0.000 0.445 74 T N -0.296 114.189 114.554 -0.116 0.000 3.535 74 T HA 0.068 4.410 4.350 -0.014 0.000 0.223 74 T C 0.446 175.109 174.700 -0.061 0.000 0.933 74 T CA -0.094 61.960 62.100 -0.076 0.000 1.445 74 T CB -0.596 68.262 68.868 -0.017 0.000 1.286 74 T HN 0.392 nan 8.240 nan 0.000 0.436 75 R N 1.671 122.162 120.500 -0.014 0.000 2.494 75 R HA 0.003 4.335 4.340 -0.014 0.000 0.291 75 R C 0.389 176.712 176.300 0.039 0.000 0.953 75 R CA -0.370 55.741 56.100 0.019 0.000 1.098 75 R CB -0.468 29.846 30.300 0.022 0.000 0.911 75 R HN 0.458 nan 8.270 nan 0.000 0.407 76 Y N 3.581 123.828 120.300 -0.089 0.000 2.815 76 Y HA 0.024 4.565 4.550 -0.015 0.000 0.509 76 Y C 0.257 176.107 175.900 -0.083 0.000 1.318 76 Y CA 0.458 58.498 58.100 -0.101 0.000 2.179 76 Y CB 0.560 38.970 38.460 -0.084 0.000 1.766 76 Y HN 0.686 nan 8.280 nan 0.000 0.711 77 R N -0.056 119.892 120.500 -0.919 0.000 2.604 77 R HA 0.146 4.477 4.340 -0.014 0.000 0.261 77 R C -0.110 176.013 176.300 -0.295 0.000 1.080 77 R CA 0.061 55.834 56.100 -0.545 0.000 0.917 77 R CB 1.496 31.710 30.300 -0.143 0.000 1.252 77 R HN 0.916 nan 8.270 nan 0.000 0.456 78 N N -0.015 118.590 118.700 -0.157 0.000 1.922 78 N HA -0.300 4.432 4.740 -0.014 0.000 0.219 78 N C 1.086 176.544 175.510 -0.086 0.000 0.931 78 N CA 2.087 55.090 53.050 -0.077 0.000 3.603 78 N CB -0.894 37.564 38.487 -0.048 0.000 0.737 78 N HN 0.400 nan 8.380 nan 0.000 0.353 79 I N 1.149 121.616 120.570 -0.171 0.000 2.270 79 I HA 0.002 4.164 4.170 -0.014 0.000 0.239 79 I C 1.149 177.163 176.117 -0.171 0.000 1.080 79 I CA 0.801 61.999 61.300 -0.169 0.000 1.383 79 I CB -1.220 36.526 38.000 -0.423 0.000 1.097 79 I HN 0.293 nan 8.210 nan 0.000 0.420 80 E N 2.841 122.874 120.200 -0.278 0.000 2.585 80 E HA -0.101 4.241 4.350 -0.014 0.000 0.252 80 E C -0.563 175.988 176.600 -0.081 0.000 0.981 80 E CA 0.294 56.569 56.400 -0.209 0.000 0.943 80 E CB 0.342 29.838 29.700 -0.340 0.000 0.923 80 E HN -0.083 nan 8.360 nan 0.000 0.486 81 K N 4.704 125.085 120.400 -0.032 0.000 2.376 81 K HA 0.472 4.784 4.320 -0.014 0.000 0.257 81 K C -0.898 175.705 176.600 0.005 0.000 0.939 81 K CA -0.699 55.587 56.287 -0.002 0.000 0.809 81 K CB 1.336 33.830 32.500 -0.009 0.000 1.121 81 K HN 0.466 nan 8.250 nan 0.000 0.425 82 I N 1.794 122.372 120.570 0.012 0.000 2.448 82 I HA 0.283 4.445 4.170 -0.014 0.000 0.281 82 I C -0.189 175.925 176.117 -0.004 0.000 1.027 82 I CA -0.466 60.836 61.300 0.003 0.000 1.111 82 I CB 1.879 39.879 38.000 -0.000 0.000 1.236 82 I HN 0.277 nan 8.210 nan 0.000 0.452 83 S N 5.538 121.231 115.700 -0.011 0.000 2.690 83 S HA 0.586 5.048 4.470 -0.014 0.000 0.291 83 S C 0.108 174.694 174.600 -0.024 0.000 1.138 83 S CA -0.626 57.560 58.200 -0.024 0.000 1.013 83 S CB 1.913 65.090 63.200 -0.038 0.000 1.053 83 S HN 0.502 nan 8.310 nan 0.000 0.539 84 M N 1.275 120.856 119.600 -0.033 0.000 1.801 84 M HA 0.475 4.947 4.480 -0.014 0.000 0.198 84 M C -0.940 175.328 176.300 -0.053 0.000 1.248 84 M CA 0.074 55.353 55.300 -0.036 0.000 0.893 84 M CB 0.200 32.776 32.600 -0.040 0.000 1.199 84 M HN 0.508 nan 8.290 nan 0.000 0.482 85 L N -1.294 119.890 121.223 -0.066 0.000 2.250 85 L HA 0.446 4.778 4.340 -0.014 0.000 0.252 85 L C 0.004 176.805 176.870 -0.114 0.000 1.054 85 L CA -0.680 54.103 54.840 -0.096 0.000 0.856 85 L CB 1.604 43.609 42.059 -0.090 0.000 1.443 85 L HN 0.627 nan 8.230 nan 0.000 0.427 86 E N 0.249 120.356 120.200 -0.155 0.000 2.343 86 E HA 0.246 4.588 4.350 -0.014 0.000 0.223 86 E C -0.401 176.087 176.600 -0.185 0.000 0.977 86 E CA 0.082 56.387 56.400 -0.158 0.000 1.027 86 E CB 0.738 30.331 29.700 -0.177 0.000 1.769 86 E HN 0.311 nan 8.360 nan 0.000 0.531 87 K N 0.786 121.023 120.400 -0.272 0.000 2.482 87 K HA 0.351 4.663 4.320 -0.014 0.000 0.251 87 K C -1.069 175.081 176.600 -0.751 0.000 0.936 87 K CA -0.597 55.413 56.287 -0.461 0.000 0.791 87 K CB 1.286 33.502 32.500 -0.473 0.000 1.213 87 K HN 0.264 nan 8.250 nan 0.000 0.428 88 I N 3.066 123.332 120.570 -0.506 0.000 2.638 88 I HA 0.100 4.262 4.170 -0.014 0.000 0.286 88 I C -0.486 175.344 176.117 -0.478 0.000 1.088 88 I CA -0.283 60.821 61.300 -0.327 0.000 1.397 88 I CB 0.292 38.228 38.000 -0.106 0.000 1.414 88 I HN 0.423 nan 8.210 nan 0.000 0.566 89 Y N 5.864 126.301 120.300 0.228 0.000 2.681 89 Y HA 0.396 4.938 4.550 -0.014 0.000 0.347 89 Y C 0.092 176.265 175.900 0.456 0.000 1.029 89 Y CA -0.585 57.699 58.100 0.307 0.000 1.279 89 Y CB 0.560 39.202 38.460 0.304 0.000 1.096 89 Y HN 0.352 nan 8.280 nan 0.000 0.580 90 I N 2.404 123.277 120.570 0.506 0.000 2.886 90 I HA 0.161 4.323 4.170 -0.014 0.000 0.299 90 I C -0.147 176.266 176.117 0.494 0.000 1.044 90 I CA -0.264 61.301 61.300 0.442 0.000 1.310 90 I CB 1.112 39.260 38.000 0.246 0.000 1.441 90 I HN 0.511 nan 8.210 nan 0.000 0.578 91 H N 7.431 126.457 119.070 -0.074 0.000 2.652 91 H HA 0.304 4.852 4.556 -0.013 0.000 0.298 91 H C -1.829 173.421 175.328 -0.130 0.000 1.076 91 H CA -2.347 53.357 56.048 -0.574 0.000 1.360 91 H CB 1.298 30.255 29.762 -1.342 0.000 1.421 91 H HN 0.329 nan 8.280 nan 0.000 0.464 92 P HA -0.196 nan 4.420 nan 0.000 0.217 92 P C 1.027 178.435 177.300 0.179 0.000 1.151 92 P CA 1.011 64.254 63.100 0.237 0.000 0.849 92 P CB 0.398 32.209 31.700 0.185 0.000 0.787 93 R N -0.825 119.769 120.500 0.156 0.000 2.386 93 R HA -0.024 4.308 4.340 -0.014 0.000 0.216 93 R C 0.356 176.560 176.300 -0.160 0.000 1.119 93 R CA -0.181 55.830 56.100 -0.148 0.000 1.158 93 R CB -1.296 28.746 30.300 -0.430 0.000 1.057 93 R HN 0.314 nan 8.270 nan 0.000 0.489 94 Y N 1.589 121.811 120.300 -0.131 0.000 2.585 94 Y HA 0.154 4.696 4.550 -0.013 0.000 0.354 94 Y C -0.541 175.356 175.900 -0.005 0.000 1.024 94 Y CA -1.866 56.196 58.100 -0.063 0.000 1.321 94 Y CB -0.124 38.357 38.460 0.036 0.000 1.151 94 Y HN -0.113 nan 8.280 nan 0.000 0.525 95 N N 7.581 126.118 118.700 -0.272 0.000 2.558 95 N HA 0.138 4.869 4.740 -0.014 0.000 0.242 95 N C -0.666 174.572 175.510 -0.453 0.000 0.979 95 N CA -0.867 51.905 53.050 -0.465 0.000 0.931 95 N CB 0.199 38.481 38.487 -0.343 0.000 1.122 95 N HN 0.648 nan 8.380 nan 0.000 0.508 96 W N 3.898 124.898 121.300 -0.500 0.000 2.136 96 W HA 0.294 4.946 4.660 -0.013 0.000 0.436 96 W C 0.618 177.006 176.519 -0.217 0.000 0.624 96 W CA -0.679 56.482 57.345 -0.308 0.000 2.276 96 W CB -0.860 28.423 29.460 -0.296 0.000 1.277 96 W HN 0.656 nan 8.180 nan 0.000 0.595 97 E N 2.567 122.523 120.200 -0.406 0.000 2.661 97 E HA -0.375 3.967 4.350 -0.014 0.000 0.250 97 E C 0.856 177.322 176.600 -0.223 0.000 1.059 97 E CA 3.057 59.301 56.400 -0.260 0.000 1.381 97 E CB -0.197 29.370 29.700 -0.222 0.000 1.255 97 E HN 0.483 nan 8.360 nan 0.000 0.469 98 N N -1.657 116.917 118.700 -0.209 0.000 2.581 98 N HA 0.029 4.761 4.740 -0.014 0.000 0.274 98 N C -0.267 175.155 175.510 -0.147 0.000 1.629 98 N CA 0.224 53.138 53.050 -0.227 0.000 0.884 98 N CB -0.574 37.775 38.487 -0.229 0.000 1.423 98 N HN 0.307 nan 8.380 nan 0.000 0.507 99 L N -0.605 120.587 121.223 -0.051 0.000 3.976 99 L HA -0.252 4.080 4.340 -0.014 0.000 0.418 99 L C -0.322 176.632 176.870 0.140 0.000 1.177 99 L CA 1.016 55.927 54.840 0.118 0.000 0.968 99 L CB -1.075 41.051 42.059 0.110 0.000 1.933 99 L HN 0.381 nan 8.230 nan 0.000 0.976 100 D N 1.709 122.132 120.400 0.040 0.000 2.451 100 D HA 0.098 4.730 4.640 -0.014 0.000 0.254 100 D C 1.029 177.376 176.300 0.078 0.000 1.204 100 D CA 0.533 54.558 54.000 0.042 0.000 0.896 100 D CB 0.311 41.089 40.800 -0.037 0.000 1.136 100 D HN 0.286 nan 8.370 nan 0.000 0.499 101 R N 1.741 122.302 120.500 0.103 0.000 3.774 101 R HA -0.217 4.115 4.340 -0.014 0.000 0.320 101 R C -0.573 175.817 176.300 0.150 0.000 1.175 101 R CA 0.639 56.774 56.100 0.058 0.000 0.849 101 R CB -2.128 28.081 30.300 -0.152 0.000 1.365 101 R HN 0.488 nan 8.270 nan 0.000 0.502 102 D N 1.702 122.255 120.400 0.256 0.000 2.380 102 D HA 0.240 4.871 4.640 -0.014 0.000 0.270 102 D C 0.192 176.581 176.300 0.148 0.000 1.363 102 D CA 0.491 54.652 54.000 0.268 0.000 1.057 102 D CB 0.256 41.285 40.800 0.381 0.000 1.096 102 D HN 0.319 nan 8.370 nan 0.000 0.524 103 I N 1.115 121.684 120.570 -0.002 0.000 2.739 103 I HA 0.567 4.728 4.170 -0.014 0.000 0.295 103 I C -2.344 173.842 176.117 0.115 0.000 1.677 103 I CA -0.490 60.873 61.300 0.104 0.000 0.976 103 I CB 1.222 39.359 38.000 0.228 0.000 1.430 103 I HN 0.391 nan 8.210 nan 0.000 0.525 104 A N 6.659 129.642 122.820 0.272 0.000 2.566 104 A HA 0.667 4.979 4.320 -0.014 0.000 0.297 104 A C -2.123 175.734 177.584 0.455 0.000 1.059 104 A CA -0.529 51.788 52.037 0.466 0.000 0.691 104 A CB 1.763 20.900 19.000 0.229 0.000 1.282 104 A HN 0.767 nan 8.150 nan 0.000 0.401 105 L N 1.518 123.048 121.223 0.512 0.000 2.375 105 L HA 0.887 5.219 4.340 -0.014 0.000 0.268 105 L C -0.746 176.373 176.870 0.415 0.000 1.058 105 L CA -0.853 54.178 54.840 0.318 0.000 0.803 105 L CB 1.602 43.659 42.059 -0.002 0.000 1.212 105 L HN 0.931 nan 8.230 nan 0.000 0.451 106 M N 2.493 122.359 119.600 0.443 0.000 2.465 106 M HA 0.455 4.927 4.480 -0.014 0.000 0.284 106 M C -1.097 175.205 176.300 0.003 0.000 1.212 106 M CA -0.551 54.919 55.300 0.282 0.000 0.910 106 M CB 1.889 34.563 32.600 0.123 0.000 1.725 106 M HN 0.209 nan 8.290 nan 0.000 0.477 107 K N 1.183 121.380 120.400 -0.339 0.000 2.168 107 K HA 0.824 5.136 4.320 -0.014 0.000 0.239 107 K C -1.554 174.793 176.600 -0.422 0.000 0.999 107 K CA -0.717 55.074 56.287 -0.828 0.000 0.900 107 K CB 1.296 33.271 32.500 -0.876 0.000 1.111 107 K HN 0.803 nan 8.250 nan 0.000 0.452 108 L N 2.986 123.964 121.223 -0.408 0.000 2.341 108 L HA 0.282 4.614 4.340 -0.014 0.000 0.278 108 L C 1.397 178.162 176.870 -0.174 0.000 1.005 108 L CA -0.460 54.249 54.840 -0.219 0.000 0.818 108 L CB 1.590 43.554 42.059 -0.160 0.000 1.259 108 L HN 0.931 nan 8.230 nan 0.000 0.418 109 K N 3.453 123.776 120.400 -0.129 0.000 2.059 109 K HA -0.170 4.141 4.320 -0.014 0.000 0.212 109 K C 0.858 177.405 176.600 -0.088 0.000 1.050 109 K CA 1.721 57.947 56.287 -0.101 0.000 0.927 109 K CB -0.137 32.316 32.500 -0.077 0.000 0.714 109 K HN 0.547 nan 8.250 nan 0.000 0.447 110 K N -0.477 119.873 120.400 -0.083 0.000 2.501 110 K HA 0.317 4.629 4.320 -0.014 0.000 0.252 110 K C -2.796 173.755 176.600 -0.082 0.000 0.934 110 K CA -2.513 53.731 56.287 -0.072 0.000 0.797 110 K CB 2.948 35.414 32.500 -0.058 0.000 1.270 110 K HN 0.032 nan 8.250 nan 0.000 0.431 111 P HA -0.026 nan 4.420 nan 0.000 0.273 111 P C -0.784 176.434 177.300 -0.136 0.000 1.252 111 P CA -0.289 62.750 63.100 -0.101 0.000 0.809 111 P CB 0.516 32.157 31.700 -0.097 0.000 1.017 112 V N -0.823 118.964 119.914 -0.212 0.000 2.709 112 V HA 0.444 4.556 4.120 -0.014 0.000 0.308 112 V C 0.228 176.025 176.094 -0.494 0.000 1.062 112 V CA -0.976 61.181 62.300 -0.238 0.000 0.901 112 V CB 1.584 33.323 31.823 -0.139 0.000 1.003 112 V HN 0.711 nan 8.190 nan 0.000 0.425 113 A N 5.074 127.670 122.820 -0.374 0.000 2.544 113 A HA 0.575 4.886 4.320 -0.014 0.000 0.301 113 A C -0.027 177.384 177.584 -0.288 0.000 1.368 113 A CA -0.246 51.534 52.037 -0.428 0.000 1.045 113 A CB -0.834 18.064 19.000 -0.170 0.000 1.129 113 A HN 0.711 nan 8.150 nan 0.000 0.540 114 F N 2.661 122.628 119.950 0.029 0.000 2.590 114 F HA 0.354 4.877 4.527 -0.007 0.000 0.389 114 F C 1.098 176.933 175.800 0.059 0.000 1.049 114 F CA 0.143 58.168 58.000 0.041 0.000 1.199 114 F CB -0.049 38.944 39.000 -0.012 0.000 1.058 114 F HN 0.529 nan 8.300 nan 0.000 0.556 115 S N 0.761 116.598 115.700 0.229 0.000 2.921 115 S HA 0.304 4.766 4.470 -0.014 0.000 0.315 115 S C 0.604 175.226 174.600 0.037 0.000 1.087 115 S CA -0.698 57.574 58.200 0.119 0.000 0.877 115 S CB 1.044 64.288 63.200 0.073 0.000 1.340 115 S HN 0.549 nan 8.310 nan 0.000 0.622 116 D N -0.083 120.227 120.400 -0.151 0.000 2.182 116 D HA -0.053 4.579 4.640 -0.014 0.000 0.201 116 D C 1.239 177.356 176.300 -0.306 0.000 0.986 116 D CA 1.522 55.328 54.000 -0.323 0.000 0.847 116 D CB -0.244 40.205 40.800 -0.585 0.000 0.942 116 D HN 0.575 nan 8.370 nan 0.000 0.467 117 Y N -0.316 119.962 120.300 -0.037 0.000 2.510 117 Y HA 0.145 4.686 4.550 -0.015 0.000 0.273 117 Y C 0.808 176.675 175.900 -0.055 0.000 1.119 117 Y CA -0.097 57.962 58.100 -0.070 0.000 1.286 117 Y CB 0.541 38.963 38.460 -0.063 0.000 1.061 117 Y HN -0.146 nan 8.280 nan 0.000 0.542 118 I N 0.411 121.074 120.570 0.154 0.000 2.362 118 I HA 0.353 4.515 4.170 -0.014 0.000 0.289 118 I C -0.913 175.366 176.117 0.270 0.000 0.994 118 I CA -0.655 60.743 61.300 0.164 0.000 1.158 118 I CB 0.715 38.812 38.000 0.163 0.000 1.315 118 I HN 0.115 nan 8.210 nan 0.000 0.451 119 H N 6.314 125.435 119.070 0.085 0.000 3.121 119 H HA 0.415 4.963 4.556 -0.013 0.000 0.337 119 H C -2.869 172.634 175.328 0.293 0.000 1.198 119 H CA -0.559 55.578 56.048 0.147 0.000 1.274 119 H CB 3.251 33.027 29.762 0.022 0.000 1.954 119 H HN 0.309 nan 8.280 nan 0.000 0.531 120 P HA 0.170 nan 4.420 nan 0.000 0.292 120 P C -0.503 177.116 177.300 0.532 0.000 1.283 120 P CA -0.421 62.936 63.100 0.430 0.000 0.835 120 P CB 2.243 34.064 31.700 0.201 0.000 1.017 121 V N 3.615 123.709 119.914 0.299 0.000 3.185 121 V HA 0.079 4.191 4.120 -0.014 0.000 0.305 121 V C 0.104 176.090 176.094 -0.181 0.000 1.090 121 V CA -0.039 62.060 62.300 -0.334 0.000 1.107 121 V CB 0.683 31.984 31.823 -0.871 0.000 1.061 121 V HN 0.689 nan 8.190 nan 0.000 0.480 122 C N 5.203 124.268 119.300 -0.392 0.000 2.463 122 C HA 0.450 4.902 4.460 -0.014 0.000 0.380 122 C C 0.233 175.123 174.990 -0.167 0.000 1.264 122 C CA -0.950 57.832 59.018 -0.392 0.000 2.161 122 C CB -0.259 26.964 27.740 -0.861 0.000 2.515 122 C HN 0.784 nan 8.230 nan 0.000 0.565 123 L N 3.740 125.042 121.223 0.131 0.000 2.350 123 L HA 0.483 4.815 4.340 -0.014 0.000 0.275 123 L C -2.103 175.060 176.870 0.488 0.000 1.099 123 L CA -1.534 53.476 54.840 0.283 0.000 0.808 123 L CB -0.277 41.884 42.059 0.171 0.000 1.149 123 L HN 0.412 nan 8.230 nan 0.000 0.442 124 P HA -0.054 nan 4.420 nan 0.000 0.265 124 P C -1.155 176.164 177.300 0.031 0.000 1.187 124 P CA 0.182 63.301 63.100 0.031 0.000 0.766 124 P CB 0.824 32.575 31.700 0.086 0.000 0.820 125 D N 2.026 122.307 120.400 -0.199 0.000 2.228 125 D HA 0.237 4.869 4.640 -0.014 0.000 0.247 125 D C 1.362 177.485 176.300 -0.294 0.000 0.995 125 D CA -0.538 53.401 54.000 -0.103 0.000 0.903 125 D CB 1.541 42.278 40.800 -0.104 0.000 1.205 125 D HN 0.217 nan 8.370 nan 0.000 0.459 126 R N 2.850 123.318 120.500 -0.053 0.000 2.113 126 R HA -0.221 4.111 4.340 -0.014 0.000 0.244 126 R C 1.912 178.036 176.300 -0.293 0.000 1.142 126 R CA 2.368 58.417 56.100 -0.085 0.000 0.953 126 R CB -1.596 28.814 30.300 0.183 0.000 0.860 126 R HN 0.785 nan 8.270 nan 0.000 0.438 127 E N 0.352 120.440 120.200 -0.188 0.000 1.996 127 E HA -0.063 4.279 4.350 -0.014 0.000 0.197 127 E C 0.582 177.021 176.600 -0.268 0.000 1.002 127 E CA 1.193 57.488 56.400 -0.175 0.000 0.840 127 E CB -0.836 28.791 29.700 -0.123 0.000 0.786 127 E HN 0.535 nan 8.360 nan 0.000 0.469 128 T N 2.563 116.941 114.554 -0.293 0.000 2.658 128 T HA -0.044 4.298 4.350 -0.014 0.000 0.252 128 T C 0.338 174.783 174.700 -0.424 0.000 1.021 128 T CA 0.557 62.440 62.100 -0.361 0.000 1.169 128 T CB 0.067 68.618 68.868 -0.528 0.000 1.015 128 T HN 0.243 nan 8.240 nan 0.000 0.489 129 L N 1.087 122.285 121.223 -0.041 0.000 4.064 129 L HA -0.120 4.212 4.340 -0.014 0.000 0.411 129 L C 0.506 177.476 176.870 0.166 0.000 0.858 129 L CA 0.569 55.509 54.840 0.166 0.000 1.877 129 L CB -1.942 40.145 42.059 0.048 0.000 1.661 129 L HN 0.713 nan 8.230 nan 0.000 0.537 130 L N 0.201 121.349 121.223 -0.126 0.000 2.783 130 L HA 0.452 4.784 4.340 -0.014 0.000 0.235 130 L C 0.429 177.040 176.870 -0.432 0.000 1.260 130 L CA -0.168 54.510 54.840 -0.269 0.000 1.184 130 L CB 0.110 41.974 42.059 -0.325 0.000 1.472 130 L HN 0.094 nan 8.230 nan 0.000 0.426 131 Q N 1.136 120.443 119.800 -0.821 0.000 2.345 131 Q HA 0.671 5.003 4.340 -0.014 0.000 0.268 131 Q C 0.095 175.701 176.000 -0.657 0.000 1.054 131 Q CA -0.448 54.822 55.803 -0.888 0.000 0.835 131 Q CB 2.101 30.045 28.738 -1.323 0.000 1.339 131 Q HN 0.456 nan 8.270 nan 0.000 0.447 132 A N 0.840 123.446 122.820 -0.356 0.000 2.567 132 A HA 0.364 4.676 4.320 -0.014 0.000 0.236 132 A C 1.348 178.870 177.584 -0.104 0.000 1.088 132 A CA 0.962 52.882 52.037 -0.194 0.000 0.776 132 A CB -0.757 18.152 19.000 -0.152 0.000 1.033 132 A HN 1.278 nan 8.150 nan 0.000 0.513 133 G N -1.437 107.339 108.800 -0.040 0.000 2.284 133 G HA2 -0.294 3.658 3.960 -0.014 0.000 0.268 133 G HA3 -0.294 3.658 3.960 -0.014 0.000 0.268 133 G C 0.193 175.188 174.900 0.160 0.000 0.980 133 G CA 1.000 46.114 45.100 0.023 0.000 0.631 133 G HN 0.882 nan 8.290 nan 0.000 0.548 134 Y N 1.720 121.998 120.300 -0.037 0.000 2.605 134 Y HA 0.394 4.936 4.550 -0.014 0.000 0.336 134 Y C 1.221 177.138 175.900 0.028 0.000 1.111 134 Y CA -0.491 57.601 58.100 -0.012 0.000 1.422 134 Y CB 0.316 38.764 38.460 -0.020 0.000 1.193 134 Y HN 0.151 nan 8.280 nan 0.000 0.526 135 K N 2.058 122.517 120.400 0.097 0.000 2.298 135 K HA 0.524 4.836 4.320 -0.014 0.000 0.280 135 K C 0.403 177.039 176.600 0.060 0.000 1.032 135 K CA -0.001 56.334 56.287 0.080 0.000 0.958 135 K CB 0.685 33.217 32.500 0.053 0.000 0.978 135 K HN 0.851 nan 8.250 nan 0.000 0.472 136 G N 1.593 110.408 108.800 0.026 0.000 2.619 136 G HA2 0.482 4.434 3.960 -0.014 0.000 0.296 136 G HA3 0.482 4.434 3.960 -0.014 0.000 0.296 136 G C -1.540 173.207 174.900 -0.255 0.000 1.334 136 G CA -0.692 44.352 45.100 -0.093 0.000 0.934 136 G HN 0.524 nan 8.290 nan 0.000 0.476 137 R N -0.157 120.203 120.500 -0.233 0.000 2.732 137 R HA 0.822 5.154 4.340 -0.014 0.000 0.278 137 R C -1.140 174.940 176.300 -0.367 0.000 0.976 137 R CA -0.416 55.556 56.100 -0.214 0.000 0.963 137 R CB 1.975 32.248 30.300 -0.045 0.000 1.150 137 R HN 0.402 nan 8.270 nan 0.000 0.478 138 V N 0.563 120.308 119.914 -0.281 0.000 3.258 138 V HA 0.545 4.657 4.120 -0.014 0.000 0.299 138 V C -1.241 174.792 176.094 -0.101 0.000 1.376 138 V CA -0.820 61.353 62.300 -0.211 0.000 1.063 138 V CB 2.531 34.190 31.823 -0.273 0.000 1.103 138 V HN 1.060 nan 8.190 nan 0.000 0.451 139 T N -1.407 113.123 114.554 -0.040 0.000 2.957 139 T HA 0.812 5.154 4.350 -0.014 0.000 0.336 139 T C -0.548 174.118 174.700 -0.057 0.000 1.462 139 T CA -0.209 61.844 62.100 -0.079 0.000 1.073 139 T CB 1.753 70.524 68.868 -0.163 0.000 1.319 139 T HN 1.849 nan 8.240 nan 0.000 0.485 140 G N 0.208 108.958 108.800 -0.083 0.000 2.716 140 G HA2 0.449 4.401 3.960 -0.014 0.000 0.299 140 G HA3 0.449 4.401 3.960 -0.014 0.000 0.299 140 G C -0.083 174.848 174.900 0.053 0.000 1.450 140 G CA -0.853 44.258 45.100 0.019 0.000 0.968 140 G HN 0.715 nan 8.290 nan 0.000 0.566 141 W N 1.954 123.287 121.300 0.056 0.000 2.480 141 W HA 0.002 4.655 4.660 -0.012 0.000 0.257 141 W C 1.655 178.207 176.519 0.055 0.000 1.235 141 W CA 0.705 58.073 57.345 0.039 0.000 1.218 141 W CB -0.020 29.463 29.460 0.039 0.000 1.131 141 W HN 0.845 nan 8.180 nan 0.000 0.606 142 G N 2.096 111.067 108.800 0.286 0.000 2.669 142 G HA2 -0.223 3.729 3.960 -0.014 0.000 0.227 142 G HA3 -0.223 3.729 3.960 -0.014 0.000 0.227 142 G C 0.832 175.830 174.900 0.162 0.000 1.210 142 G CA -0.293 44.931 45.100 0.206 0.000 0.855 142 G HN 0.142 nan 8.290 nan 0.000 0.551 143 N N -0.328 118.456 118.700 0.140 0.000 2.306 143 N HA 0.025 4.756 4.740 -0.014 0.000 0.234 143 N C 0.589 176.157 175.510 0.096 0.000 1.255 143 N CA 1.294 54.412 53.050 0.114 0.000 0.817 143 N CB -0.117 38.435 38.487 0.108 0.000 0.903 143 N HN 0.750 nan 8.380 nan 0.000 0.392 144 L N -3.370 117.902 121.223 0.082 0.000 2.376 144 L HA 0.437 4.769 4.340 -0.014 0.000 0.274 144 L C -0.522 176.381 176.870 0.056 0.000 1.418 144 L CA -0.682 54.198 54.840 0.066 0.000 0.658 144 L CB -0.093 41.998 42.059 0.054 0.000 0.914 144 L HN 0.769 nan 8.230 nan 0.000 0.522 145 K N -0.997 119.441 120.400 0.063 0.000 5.800 145 K HA 0.261 4.573 4.320 -0.014 0.000 0.788 145 K C -1.351 175.288 176.600 0.065 0.000 0.883 145 K CA -0.470 55.846 56.287 0.050 0.000 1.098 145 K CB 0.004 32.523 32.500 0.031 0.000 2.121 145 K HN -0.021 nan 8.250 nan 0.000 1.078 146 E N 1.844 122.070 120.200 0.042 0.000 3.898 146 E HA 0.130 4.472 4.350 -0.014 0.000 0.219 146 E C 0.181 176.790 176.600 0.014 0.000 1.207 146 E CA 0.128 56.559 56.400 0.052 0.000 1.240 146 E CB 0.816 30.509 29.700 -0.011 0.000 1.239 146 E HN 0.744 nan 8.360 nan 0.000 0.422 147 T N -0.836 113.772 114.554 0.090 0.000 2.572 147 T HA -0.260 4.082 4.350 -0.014 0.000 0.258 147 T C 1.423 176.165 174.700 0.071 0.000 1.154 147 T CA 1.601 63.755 62.100 0.090 0.000 1.157 147 T CB -1.079 67.872 68.868 0.139 0.000 0.856 147 T HN 0.657 nan 8.240 nan 0.000 0.443 148 W N 3.745 125.054 121.300 0.016 0.000 3.114 148 W HA 0.302 4.953 4.660 -0.014 0.000 0.316 148 W C -0.688 175.837 176.519 0.010 0.000 1.221 148 W CA -1.005 56.347 57.345 0.012 0.000 1.699 148 W CB -1.457 28.009 29.460 0.010 0.000 0.923 148 W HN 0.123 nan 8.180 nan 0.000 0.702 149 K N 0.810 121.219 120.400 0.014 0.000 2.544 149 K HA 0.038 4.350 4.320 -0.014 0.000 0.274 149 K C 1.476 178.092 176.600 0.028 0.000 0.962 149 K CA 1.150 57.449 56.287 0.020 0.000 0.946 149 K CB -0.197 32.316 32.500 0.022 0.000 0.905 149 K HN 0.126 nan 8.250 nan 0.000 0.521 150 G N 0.405 109.225 108.800 0.033 0.000 2.624 150 G HA2 -0.048 3.904 3.960 -0.014 0.000 0.216 150 G HA3 -0.048 3.904 3.960 -0.014 0.000 0.216 150 G C -0.370 174.564 174.900 0.056 0.000 1.274 150 G CA 0.342 45.468 45.100 0.044 0.000 0.856 150 G HN 0.520 nan 8.290 nan 0.000 0.555 151 Q N 0.283 120.119 119.800 0.059 0.000 2.359 151 Q HA 0.501 4.833 4.340 -0.014 0.000 0.275 151 Q C -2.304 173.741 176.000 0.074 0.000 1.082 151 Q CA -1.746 54.102 55.803 0.076 0.000 0.849 151 Q CB 2.117 30.905 28.738 0.083 0.000 1.377 151 Q HN 0.230 nan 8.270 nan 0.000 0.452 152 P HA 0.131 nan 4.420 nan 0.000 0.289 152 P C -0.259 177.098 177.300 0.096 0.000 1.299 152 P CA -0.238 62.915 63.100 0.089 0.000 0.766 152 P CB 1.347 33.111 31.700 0.106 0.000 1.226 153 S N -1.662 114.085 115.700 0.079 0.000 2.741 153 S HA 0.192 4.654 4.470 -0.014 0.000 0.245 153 S C 0.259 174.904 174.600 0.075 0.000 1.083 153 S CA -0.068 58.172 58.200 0.066 0.000 0.873 153 S CB 0.006 63.229 63.200 0.038 0.000 0.814 153 S HN 0.236 nan 8.310 nan 0.000 0.476 154 V N 2.885 122.810 119.914 0.017 0.000 2.680 154 V HA 0.528 4.640 4.120 -0.014 0.000 0.309 154 V C -0.379 175.611 176.094 -0.174 0.000 1.052 154 V CA -1.037 61.172 62.300 -0.151 0.000 0.908 154 V CB 1.687 33.316 31.823 -0.323 0.000 1.001 154 V HN 0.498 nan 8.190 nan 0.000 0.431 155 L N 4.324 125.343 121.223 -0.339 0.000 2.640 155 L HA -0.025 4.307 4.340 -0.014 0.000 0.300 155 L C 0.155 176.809 176.870 -0.360 0.000 1.259 155 L CA 1.231 55.685 54.840 -0.642 0.000 0.879 155 L CB 0.057 41.639 42.059 -0.794 0.000 1.125 155 L HN 0.651 nan 8.230 nan 0.000 0.507 156 Q N 3.570 123.193 119.800 -0.294 0.000 2.337 156 Q HA 0.561 4.893 4.340 -0.014 0.000 0.266 156 Q C -0.978 174.936 176.000 -0.142 0.000 1.023 156 Q CA -0.730 54.980 55.803 -0.156 0.000 0.829 156 Q CB 2.062 30.755 28.738 -0.075 0.000 1.306 156 Q HN 0.540 nan 8.270 nan 0.000 0.449 157 V N -0.587 119.267 119.914 -0.101 0.000 2.612 157 V HA 0.755 4.867 4.120 -0.014 0.000 0.301 157 V C -0.059 175.999 176.094 -0.060 0.000 1.046 157 V CA -0.887 61.361 62.300 -0.086 0.000 0.946 157 V CB 1.752 33.530 31.823 -0.074 0.000 1.003 157 V HN 0.456 nan 8.190 nan 0.000 0.459 158 V N 4.007 123.882 119.914 -0.065 0.000 2.569 158 V HA 0.626 4.738 4.120 -0.014 0.000 0.301 158 V C -1.209 174.840 176.094 -0.075 0.000 1.044 158 V CA -0.458 61.810 62.300 -0.052 0.000 0.874 158 V CB 1.997 33.800 31.823 -0.033 0.000 1.002 158 V HN 1.198 nan 8.190 nan 0.000 0.424 159 N N 6.220 124.895 118.700 -0.041 0.000 2.696 159 N HA 0.572 5.304 4.740 -0.014 0.000 0.246 159 N C -1.054 174.469 175.510 0.021 0.000 1.057 159 N CA -0.571 52.462 53.050 -0.027 0.000 0.867 159 N CB 1.310 39.800 38.487 0.006 0.000 1.141 159 N HN 0.531 nan 8.380 nan 0.000 0.517 160 L N -1.631 119.597 121.223 0.007 0.000 2.370 160 L HA 0.866 5.198 4.340 -0.014 0.000 0.266 160 L C -2.760 174.188 176.870 0.130 0.000 1.002 160 L CA -2.118 52.796 54.840 0.123 0.000 0.818 160 L CB 1.713 43.866 42.059 0.157 0.000 1.325 160 L HN 0.130 nan 8.230 nan 0.000 0.418 161 P HA 0.213 nan 4.420 nan 0.000 0.271 161 P C -0.480 176.896 177.300 0.126 0.000 1.233 161 P CA -0.088 63.080 63.100 0.114 0.000 0.789 161 P CB 1.018 32.727 31.700 0.016 0.000 0.951 162 I N -0.150 120.488 120.570 0.114 0.000 2.677 162 I HA 0.302 4.464 4.170 -0.014 0.000 0.305 162 I C 0.176 176.256 176.117 -0.061 0.000 0.988 162 I CA -0.943 60.394 61.300 0.061 0.000 1.260 162 I CB 1.310 39.319 38.000 0.015 0.000 1.410 162 I HN 0.038 nan 8.210 nan 0.000 0.523 163 V N 3.340 123.182 119.914 -0.120 0.000 2.588 163 V HA 0.179 4.291 4.120 -0.014 0.000 0.304 163 V C -0.199 175.788 176.094 -0.179 0.000 1.042 163 V CA -0.935 61.229 62.300 -0.225 0.000 0.877 163 V CB 1.729 33.277 31.823 -0.459 0.000 0.996 163 V HN 0.765 nan 8.190 nan 0.000 0.425 164 E N 4.942 125.050 120.200 -0.154 0.000 2.465 164 E HA 0.019 4.361 4.350 -0.014 0.000 0.260 164 E C 0.855 177.412 176.600 -0.070 0.000 0.980 164 E CA -0.081 56.256 56.400 -0.104 0.000 0.927 164 E CB 0.803 30.452 29.700 -0.085 0.000 0.934 164 E HN 0.547 nan 8.360 nan 0.000 0.459 165 R N 2.752 123.232 120.500 -0.033 0.000 2.159 165 R HA -0.208 4.124 4.340 -0.014 0.000 0.249 165 R C -0.640 175.691 176.300 0.052 0.000 1.136 165 R CA 2.585 58.698 56.100 0.020 0.000 0.951 165 R CB -1.458 28.868 30.300 0.043 0.000 0.876 165 R HN 0.477 nan 8.270 nan 0.000 0.440 166 P HA -0.159 nan 4.420 nan 0.000 0.216 166 P C 1.419 178.771 177.300 0.086 0.000 1.153 166 P CA 1.259 64.395 63.100 0.060 0.000 0.858 166 P CB 0.008 31.729 31.700 0.035 0.000 0.789 167 V N -0.612 119.333 119.914 0.053 0.000 2.255 167 V HA -0.311 3.800 4.120 -0.014 0.000 0.247 167 V C 2.545 178.785 176.094 0.243 0.000 1.051 167 V CA 2.184 64.540 62.300 0.095 0.000 1.018 167 V CB -1.612 30.178 31.823 -0.056 0.000 0.641 167 V HN 0.215 nan 8.190 nan 0.000 0.445 168 c N -0.518 118.177 118.600 0.157 0.000 2.413 168 c HA -0.186 4.376 4.570 -0.014 0.000 0.277 168 c C 2.805 177.156 174.090 0.434 0.000 1.265 168 c CA 1.328 57.845 56.329 0.313 0.000 1.752 168 c CB -0.932 41.595 42.510 0.028 0.000 1.998 168 c HN 0.547 nan 8.230 nan 0.000 0.489 169 K N 0.837 121.409 120.400 0.286 0.000 1.985 169 K HA -0.159 4.153 4.320 -0.014 0.000 0.210 169 K C 1.886 178.613 176.600 0.212 0.000 1.047 169 K CA 1.728 58.162 56.287 0.245 0.000 0.932 169 K CB -0.328 32.269 32.500 0.162 0.000 0.716 169 K HN 0.354 nan 8.250 nan 0.000 0.439 170 D N -0.427 120.083 120.400 0.182 0.000 2.310 170 D HA -0.076 4.556 4.640 -0.014 0.000 0.212 170 D C 1.070 177.465 176.300 0.157 0.000 0.965 170 D CA 1.043 55.130 54.000 0.145 0.000 0.879 170 D CB 0.100 40.972 40.800 0.120 0.000 0.921 170 D HN 0.251 nan 8.370 nan 0.000 0.510 171 S N -1.240 114.594 115.700 0.224 0.000 2.671 171 S HA 0.085 4.547 4.470 -0.014 0.000 0.220 171 S C 0.660 175.356 174.600 0.160 0.000 0.951 171 S CA -0.322 57.972 58.200 0.156 0.000 0.932 171 S CB 0.300 63.564 63.200 0.107 0.000 0.777 171 S HN 0.105 nan 8.310 nan 0.000 0.508 172 T N 0.152 114.824 114.554 0.196 0.000 2.900 172 T HA 0.559 4.901 4.350 -0.014 0.000 0.303 172 T C -0.404 174.350 174.700 0.090 0.000 1.142 172 T CA -0.730 61.476 62.100 0.176 0.000 1.007 172 T CB 1.929 70.969 68.868 0.287 0.000 1.156 172 T HN 0.071 nan 8.240 nan 0.000 0.490 173 R N 2.595 123.111 120.500 0.025 0.000 2.466 173 R HA 0.518 4.850 4.340 -0.014 0.000 0.279 173 R C -0.284 175.968 176.300 -0.080 0.000 0.976 173 R CA 0.006 56.094 56.100 -0.020 0.000 1.081 173 R CB -0.572 29.709 30.300 -0.032 0.000 1.215 173 R HN 0.626 nan 8.270 nan 0.000 0.546 174 I N 1.067 121.571 120.570 -0.111 0.000 2.433 174 I HA 0.326 4.488 4.170 -0.014 0.000 0.292 174 I C 0.016 176.076 176.117 -0.094 0.000 1.001 174 I CA -1.344 59.834 61.300 -0.203 0.000 1.119 174 I CB 1.690 39.381 38.000 -0.514 0.000 1.289 174 I HN 0.054 nan 8.210 nan 0.000 0.438 175 R N 5.185 125.635 120.500 -0.083 0.000 2.489 175 R HA -0.047 4.285 4.340 -0.014 0.000 0.287 175 R C -0.544 175.786 176.300 0.050 0.000 0.902 175 R CA 0.253 56.342 56.100 -0.020 0.000 1.136 175 R CB 0.195 30.466 30.300 -0.050 0.000 0.872 175 R HN 0.356 nan 8.270 nan 0.000 0.421 176 I N 3.567 124.206 120.570 0.116 0.000 2.532 176 I HA 0.183 4.345 4.170 -0.014 0.000 0.292 176 I C 0.756 176.977 176.117 0.173 0.000 1.014 176 I CA 0.107 61.534 61.300 0.212 0.000 1.340 176 I CB 1.608 39.751 38.000 0.237 0.000 1.422 176 I HN 0.710 nan 8.210 nan 0.000 0.528 177 T N 3.351 118.040 114.554 0.225 0.000 2.910 177 T HA 0.318 4.660 4.350 -0.014 0.000 0.287 177 T C 0.265 175.080 174.700 0.190 0.000 1.050 177 T CA -0.404 61.802 62.100 0.178 0.000 1.011 177 T CB 1.462 70.439 68.868 0.181 0.000 1.195 177 T HN 0.387 nan 8.240 nan 0.000 0.540 178 D N -0.283 120.211 120.400 0.157 0.000 2.346 178 D HA 0.125 4.757 4.640 -0.014 0.000 0.206 178 D C 1.616 178.070 176.300 0.257 0.000 1.001 178 D CA 0.303 54.398 54.000 0.160 0.000 0.871 178 D CB 0.220 41.077 40.800 0.096 0.000 0.943 178 D HN 0.243 nan 8.370 nan 0.000 0.518 179 N N -0.412 118.451 118.700 0.270 0.000 2.368 179 N HA 0.063 4.795 4.740 -0.014 0.000 0.178 179 N C 0.679 176.482 175.510 0.489 0.000 1.021 179 N CA 0.156 53.447 53.050 0.401 0.000 0.875 179 N CB 0.251 38.889 38.487 0.251 0.000 1.020 179 N HN 0.201 nan 8.380 nan 0.000 0.433 180 M N 0.815 120.655 119.600 0.399 0.000 2.219 180 M HA 0.092 4.564 4.480 -0.014 0.000 0.307 180 M C -0.919 175.663 176.300 0.470 0.000 1.116 180 M CA 0.445 56.011 55.300 0.442 0.000 1.181 180 M CB 0.291 33.179 32.600 0.481 0.000 1.410 180 M HN 0.093 nan 8.290 nan 0.000 0.454 181 F N 0.975 120.993 119.950 0.113 0.000 2.662 181 F HA 0.404 4.923 4.527 -0.014 0.000 0.319 181 F C -0.708 174.848 175.800 -0.406 0.000 1.079 181 F CA -1.534 56.362 58.000 -0.173 0.000 1.062 181 F CB -0.508 38.379 39.000 -0.188 0.000 1.299 181 F HN 0.787 nan 8.300 nan 0.000 0.487 182 c N 2.679 120.737 118.600 -0.904 0.000 1.735 182 c HA 1.048 5.610 4.570 -0.014 0.000 0.301 182 c C 0.466 174.449 174.090 -0.179 0.000 3.001 182 c CA -0.156 55.608 56.329 -0.943 0.000 1.848 182 c CB 0.674 42.375 42.510 -1.349 0.000 2.299 182 c HN 2.627 nan 8.230 nan 0.000 0.308 183 A N -1.158 121.635 122.820 -0.046 0.000 1.466 183 A HA 0.414 4.726 4.320 -0.014 0.000 0.232 183 A C -1.480 176.214 177.584 0.183 0.000 0.829 183 A CA -0.272 51.801 52.037 0.061 0.000 0.563 183 A CB -1.056 18.076 19.000 0.220 0.000 0.755 183 A HN 1.424 nan 8.150 nan 0.000 0.326 184 Y N 2.807 123.195 120.300 0.147 0.000 2.749 184 Y HA 0.422 4.964 4.550 -0.014 0.000 0.343 184 Y C 1.139 177.115 175.900 0.126 0.000 1.015 184 Y CA -0.609 57.550 58.100 0.100 0.000 1.270 184 Y CB 1.268 39.778 38.460 0.083 0.000 1.097 184 Y HN 0.807 nan 8.280 nan 0.000 0.571 185 K N 1.836 122.274 120.400 0.063 0.000 2.412 185 K HA -0.265 4.047 4.320 -0.014 0.000 0.202 185 K C -0.029 176.666 176.600 0.157 0.000 1.042 185 K CA 1.113 57.471 56.287 0.119 0.000 0.934 185 K CB -0.319 32.188 32.500 0.012 0.000 0.742 185 K HN 0.551 nan 8.250 nan 0.000 0.492 186 K N 1.240 121.416 120.400 -0.373 0.000 4.292 186 K HA -0.298 4.014 4.320 -0.014 0.000 0.406 186 K C 0.301 176.583 176.600 -0.530 0.000 0.806 186 K CA 0.534 56.385 56.287 -0.726 0.000 0.847 186 K CB -0.402 31.334 32.500 -1.273 0.000 1.958 186 K HN 0.246 nan 8.250 nan 0.000 0.291 187 R N 1.051 121.447 120.500 -0.172 0.000 0.907 187 R HA 0.218 4.550 4.340 -0.014 0.000 0.051 187 R C 0.785 177.060 176.300 -0.042 0.000 0.449 187 R CA 0.696 56.778 56.100 -0.030 0.000 2.146 187 R CB -0.106 30.198 30.300 0.006 0.000 0.497 187 R HN 0.854 nan 8.270 nan 0.000 0.796 188 G N 0.609 109.410 108.800 0.003 0.000 2.757 188 G HA2 -0.109 3.843 3.960 -0.014 0.000 0.686 188 G HA3 -0.109 3.843 3.960 -0.014 0.000 0.686 188 G C -1.000 173.940 174.900 0.067 0.000 1.452 188 G CA 0.084 45.193 45.100 0.015 0.000 0.922 188 G HN 0.728 nan 8.290 nan 0.000 0.588 189 D N -0.944 119.504 120.400 0.079 0.000 3.064 189 D HA 0.634 5.266 4.640 -0.014 0.000 0.288 189 D C 0.372 176.741 176.300 0.115 0.000 1.140 189 D CA 0.632 54.706 54.000 0.124 0.000 0.725 189 D CB 0.005 40.891 40.800 0.144 0.000 1.295 189 D HN 1.743 nan 8.370 nan 0.000 0.448 190 A N 0.053 122.965 122.820 0.154 0.000 2.409 190 A HA 0.538 4.850 4.320 -0.014 0.000 0.246 190 A C 0.523 178.169 177.584 0.103 0.000 1.099 190 A CA 0.389 52.510 52.037 0.140 0.000 0.789 190 A CB 0.248 19.361 19.000 0.187 0.000 1.053 190 A HN 0.833 nan 8.150 nan 0.000 0.503 191 c N -0.986 117.678 118.600 0.108 0.000 3.221 191 c HA 0.549 5.111 4.570 -0.014 0.000 0.371 191 c C -0.834 173.328 174.090 0.120 0.000 2.951 191 c CA -0.548 55.844 56.329 0.104 0.000 1.273 191 c CB 0.181 42.750 42.510 0.097 0.000 3.371 191 c HN 0.887 nan 8.230 nan 0.000 0.457 192 E N 0.632 120.905 120.200 0.122 0.000 2.529 192 E HA 0.313 4.655 4.350 -0.014 0.000 0.259 192 E C 1.103 177.790 176.600 0.145 0.000 0.966 192 E CA 1.416 57.894 56.400 0.130 0.000 0.937 192 E CB -0.044 29.731 29.700 0.125 0.000 0.923 192 E HN 1.390 nan 8.360 nan 0.000 0.468 193 G N 4.290 113.189 108.800 0.165 0.000 2.257 193 G HA2 -0.361 3.591 3.960 -0.014 0.000 0.267 193 G HA3 -0.361 3.591 3.960 -0.014 0.000 0.267 193 G C 0.756 175.775 174.900 0.198 0.000 0.984 193 G CA 0.515 45.723 45.100 0.179 0.000 0.626 193 G HN 0.579 nan 8.290 nan 0.000 0.540 194 D N 1.161 121.675 120.400 0.190 0.000 2.351 194 D HA 0.026 4.658 4.640 -0.014 0.000 0.216 194 D C 1.741 178.168 176.300 0.212 0.000 0.968 194 D CA 1.045 55.162 54.000 0.195 0.000 0.899 194 D CB -0.095 40.805 40.800 0.166 0.000 0.907 194 D HN 0.511 nan 8.370 nan 0.000 0.514 195 S N -0.809 115.026 115.700 0.226 0.000 2.555 195 S HA 0.174 4.636 4.470 -0.014 0.000 0.264 195 S C 1.724 176.434 174.600 0.183 0.000 1.378 195 S CA 0.633 58.977 58.200 0.241 0.000 0.996 195 S CB 0.457 63.854 63.200 0.328 0.000 0.869 195 S HN 0.448 nan 8.310 nan 0.000 0.546 196 G N -0.189 108.704 108.800 0.156 0.000 2.220 196 G HA2 -0.238 3.714 3.960 -0.014 0.000 0.269 196 G HA3 -0.238 3.714 3.960 -0.014 0.000 0.269 196 G C 0.520 175.541 174.900 0.201 0.000 0.977 196 G CA 0.523 45.710 45.100 0.144 0.000 0.634 196 G HN 1.146 nan 8.290 nan 0.000 0.539 197 G N 0.422 109.355 108.800 0.222 0.000 2.583 197 G HA2 0.551 4.503 3.960 -0.014 0.000 0.275 197 G HA3 0.551 4.503 3.960 -0.014 0.000 0.275 197 G C -2.419 172.620 174.900 0.232 0.000 1.342 197 G CA -0.030 45.199 45.100 0.215 0.000 1.030 197 G HN 0.519 nan 8.290 nan 0.000 0.520 198 P HA 0.284 nan 4.420 nan 0.000 0.308 198 P C -1.575 175.814 177.300 0.148 0.000 1.497 198 P CA -0.752 62.455 63.100 0.179 0.000 1.101 198 P CB 1.779 33.529 31.700 0.084 0.000 1.095 199 F N 6.088 126.094 119.950 0.093 0.000 2.566 199 F HA 0.206 4.725 4.527 -0.014 0.000 0.349 199 F C 0.345 176.172 175.800 0.046 0.000 1.245 199 F CA -0.537 57.479 58.000 0.027 0.000 1.169 199 F CB -0.138 38.879 39.000 0.028 0.000 1.470 199 F HN 0.097 nan 8.300 nan 0.000 0.634 200 V N 4.784 124.669 119.914 -0.047 0.000 3.003 200 V HA 0.547 4.659 4.120 -0.014 0.000 0.305 200 V C -0.323 175.879 176.094 0.180 0.000 1.078 200 V CA -0.550 61.779 62.300 0.048 0.000 1.083 200 V CB 1.532 33.309 31.823 -0.077 0.000 1.039 200 V HN 0.762 nan 8.190 nan 0.000 0.481 201 M N 3.787 123.616 119.600 0.381 0.000 2.298 201 M HA 0.359 4.831 4.480 -0.014 0.000 0.255 201 M C -0.903 175.583 176.300 0.310 0.000 1.021 201 M CA -0.320 55.191 55.300 0.352 0.000 0.968 201 M CB 1.911 34.663 32.600 0.252 0.000 2.037 201 M HN 0.871 nan 8.290 nan 0.000 0.478 202 K N 1.808 122.141 120.400 -0.111 0.000 2.297 202 K HA 0.375 4.687 4.320 -0.014 0.000 0.286 202 K C 0.419 176.837 176.600 -0.304 0.000 1.053 202 K CA 0.013 55.885 56.287 -0.692 0.000 0.940 202 K CB 1.305 32.632 32.500 -1.956 0.000 1.019 202 K HN 0.717 nan 8.250 nan 0.000 0.475 203 S N 3.910 119.555 115.700 -0.092 0.000 2.163 203 S HA -0.149 4.313 4.470 -0.014 0.000 0.151 203 S C 0.592 175.114 174.600 -0.131 0.000 1.382 203 S CA 1.140 59.311 58.200 -0.049 0.000 2.383 203 S CB -0.469 62.798 63.200 0.112 0.000 0.325 203 S HN 1.016 nan 8.310 nan 0.000 0.349 204 N N 2.162 120.842 118.700 -0.035 0.000 2.300 204 N HA -0.374 4.358 4.740 -0.014 0.000 0.235 204 N C 0.289 175.770 175.510 -0.048 0.000 1.305 204 N CA 0.963 53.999 53.050 -0.023 0.000 0.781 204 N CB -1.761 36.734 38.487 0.013 0.000 1.217 204 N HN 0.843 nan 8.380 nan 0.000 0.603 205 N N -1.476 117.165 118.700 -0.099 0.000 2.693 205 N HA -0.281 4.451 4.740 -0.014 0.000 0.249 205 N C -1.164 174.215 175.510 -0.218 0.000 1.119 205 N CA 1.149 54.087 53.050 -0.187 0.000 0.717 205 N CB -1.105 37.295 38.487 -0.145 0.000 1.071 205 N HN 0.491 nan 8.380 nan 0.000 0.555 206 R N -0.405 120.031 120.500 -0.107 0.000 2.459 206 R HA 0.252 4.584 4.340 -0.014 0.000 0.281 206 R C 0.047 176.260 176.300 -0.146 0.000 1.050 206 R CA -0.275 55.779 56.100 -0.078 0.000 1.055 206 R CB 0.404 30.712 30.300 0.013 0.000 1.045 206 R HN 0.183 nan 8.270 nan 0.000 0.495 207 W N 1.744 122.940 121.300 -0.173 0.000 2.313 207 W HA 0.254 4.906 4.660 -0.013 0.000 0.328 207 W C -0.306 175.881 176.519 -0.554 0.000 1.197 207 W CA -0.058 57.154 57.345 -0.222 0.000 1.235 207 W CB 0.665 30.002 29.460 -0.204 0.000 1.158 207 W HN 0.398 nan 8.180 nan 0.000 0.578 208 Y N 1.219 121.612 120.300 0.154 0.000 2.361 208 Y HA 0.118 4.660 4.550 -0.013 0.000 0.328 208 Y C -0.119 175.805 175.900 0.040 0.000 1.044 208 Y CA -1.316 56.799 58.100 0.025 0.000 1.085 208 Y CB 1.636 40.109 38.460 0.021 0.000 1.194 208 Y HN 0.302 nan 8.280 nan 0.000 0.438 209 Q N 4.680 124.537 119.800 0.095 0.000 2.323 209 Q HA 0.253 4.585 4.340 -0.014 0.000 0.257 209 Q C -0.424 175.725 176.000 0.248 0.000 1.022 209 Q CA -0.163 55.722 55.803 0.135 0.000 0.919 209 Q CB 0.622 29.391 28.738 0.050 0.000 1.220 209 Q HN 0.749 nan 8.270 nan 0.000 0.427 210 M N 3.134 122.925 119.600 0.319 0.000 2.576 210 M HA 0.370 4.842 4.480 -0.014 0.000 0.322 210 M C 0.004 176.381 176.300 0.128 0.000 1.184 210 M CA -0.017 55.395 55.300 0.187 0.000 0.967 210 M CB 0.702 33.335 32.600 0.055 0.000 1.372 210 M HN 0.637 nan 8.290 nan 0.000 0.509 211 G N 0.685 109.692 108.800 0.345 0.000 2.632 211 G HA2 0.661 4.613 3.960 -0.014 0.000 0.292 211 G HA3 0.661 4.613 3.960 -0.014 0.000 0.292 211 G C -1.669 173.536 174.900 0.508 0.000 1.465 211 G CA -0.554 44.826 45.100 0.466 0.000 0.824 211 G HN 0.175 nan 8.290 nan 0.000 0.509 212 I N 1.595 122.455 120.570 0.483 0.000 2.439 212 I HA 0.190 4.352 4.170 -0.014 0.000 0.283 212 I C 0.308 176.670 176.117 0.409 0.000 1.023 212 I CA -0.932 60.620 61.300 0.420 0.000 1.100 212 I CB 2.083 40.282 38.000 0.333 0.000 1.238 212 I HN 0.218 nan 8.210 nan 0.000 0.445 213 V N 5.829 126.036 119.914 0.488 0.000 2.655 213 V HA -0.146 3.966 4.120 -0.014 0.000 0.273 213 V C 1.367 177.554 176.094 0.155 0.000 0.957 213 V CA 0.927 63.367 62.300 0.233 0.000 1.167 213 V CB -0.060 31.927 31.823 0.273 0.000 0.923 213 V HN 0.967 nan 8.190 nan 0.000 0.462 214 S N 6.329 122.054 115.700 0.042 0.000 2.315 214 S HA 0.098 4.560 4.470 -0.014 0.000 0.211 214 S C 0.561 175.319 174.600 0.264 0.000 1.029 214 S CA 0.769 59.124 58.200 0.258 0.000 0.956 214 S CB 0.260 63.654 63.200 0.323 0.000 0.918 214 S HN 0.893 nan 8.310 nan 0.000 0.470 215 W N -0.644 120.591 121.300 -0.109 0.000 2.962 215 W HA 0.633 5.285 4.660 -0.014 0.000 0.405 215 W C -0.769 175.684 176.519 -0.110 0.000 1.121 215 W CA -0.547 56.716 57.345 -0.137 0.000 1.164 215 W CB 0.508 29.857 29.460 -0.186 0.000 1.489 215 W HN 0.559 nan 8.180 nan 0.000 0.599 216 G N 1.076 110.063 108.800 0.311 0.000 2.617 216 G HA2 0.346 4.298 3.960 -0.014 0.000 0.305 216 G HA3 0.346 4.298 3.960 -0.014 0.000 0.305 216 G C -1.663 173.457 174.900 0.367 0.000 1.436 216 G CA -0.817 44.286 45.100 0.005 0.000 1.036 216 G HN 0.454 nan 8.290 nan 0.000 0.589 220 c N 0.455 119.103 118.600 0.080 0.000 2.887 220 c HA 0.773 5.335 4.570 -0.014 0.000 0.240 220 c C 0.269 174.393 174.090 0.057 0.000 1.872 220 c CA -0.394 55.978 56.329 0.072 0.000 1.626 220 c CB -1.376 41.182 42.510 0.079 0.000 3.115 220 c HN 0.536 nan 8.230 nan 0.000 0.488 221 R N 0.790 121.304 120.500 0.022 0.000 3.971 221 R HA 0.132 4.464 4.340 -0.014 0.000 0.243 221 R C -1.964 174.334 176.300 -0.003 0.000 1.054 221 R CA -0.477 55.629 56.100 0.009 0.000 1.243 221 R CB 0.563 30.860 30.300 -0.005 0.000 1.244 221 R HN 0.199 nan 8.270 nan 0.000 0.547 222 D N 1.748 122.166 120.400 0.029 0.000 2.520 222 D HA 0.144 4.776 4.640 -0.014 0.000 0.243 222 D C 1.400 177.704 176.300 0.007 0.000 1.160 222 D CA 2.266 56.298 54.000 0.054 0.000 0.877 222 D CB 0.900 41.741 40.800 0.068 0.000 1.150 222 D HN 0.835 nan 8.370 nan 0.000 0.494 223 G N 1.804 110.607 108.800 0.004 0.000 2.213 223 G HA2 -0.279 3.673 3.960 -0.014 0.000 0.236 223 G HA3 -0.279 3.673 3.960 -0.014 0.000 0.236 223 G C 0.423 174.909 174.900 -0.690 0.000 0.991 223 G CA -0.004 45.040 45.100 -0.093 0.000 0.629 223 G HN 0.471 nan 8.290 nan 0.000 0.517 224 K N 0.360 120.362 120.400 -0.663 0.000 2.244 224 K HA 0.735 5.047 4.320 -0.014 0.000 0.260 224 K C -0.903 175.289 176.600 -0.680 0.000 0.951 224 K CA -0.656 55.201 56.287 -0.717 0.000 0.826 224 K CB 0.940 33.300 32.500 -0.232 0.000 1.108 224 K HN 0.283 nan 8.250 nan 0.000 0.433 225 Y N -0.287 120.072 120.300 0.098 0.000 2.462 225 Y HA 0.574 5.115 4.550 -0.014 0.000 0.346 225 Y C 0.826 176.705 175.900 -0.035 0.000 0.976 225 Y CA -1.787 56.329 58.100 0.026 0.000 1.044 225 Y CB 1.408 39.836 38.460 -0.054 0.000 1.230 225 Y HN 0.615 nan 8.280 nan 0.000 0.455 226 G N 1.334 110.159 108.800 0.043 0.000 2.527 226 G HA2 0.408 4.360 3.960 -0.014 0.000 0.248 226 G HA3 0.408 4.360 3.960 -0.014 0.000 0.248 226 G C -1.389 173.224 174.900 -0.479 0.000 1.231 226 G CA -0.111 44.843 45.100 -0.242 0.000 0.838 226 G HN 0.332 nan 8.290 nan 0.000 0.570 227 F N -0.252 118.925 119.950 -1.289 0.000 2.522 227 F HA 0.617 5.135 4.527 -0.014 0.000 0.324 227 F C -0.555 174.474 175.800 -1.285 0.000 1.077 227 F CA -0.906 56.421 58.000 -1.121 0.000 0.944 227 F CB 2.186 40.524 39.000 -1.103 0.000 1.175 227 F HN 0.337 nan 8.300 nan 0.000 0.468 228 Y N -0.633 119.188 120.300 -0.798 0.000 2.512 228 Y HA 0.478 5.019 4.550 -0.014 0.000 0.348 228 Y C 0.345 176.082 175.900 -0.270 0.000 0.990 228 Y CA -1.607 56.151 58.100 -0.571 0.000 1.033 228 Y CB 0.959 39.007 38.460 -0.686 0.000 1.259 228 Y HN 0.462 nan 8.280 nan 0.000 0.461 229 T N 1.304 116.020 114.554 0.270 0.000 2.788 229 T HA -0.082 4.260 4.350 -0.014 0.000 0.333 229 T C -0.388 174.649 174.700 0.562 0.000 1.090 229 T CA 0.307 62.637 62.100 0.384 0.000 1.094 229 T CB -0.029 69.046 68.868 0.346 0.000 0.999 229 T HN 0.532 nan 8.240 nan 0.000 0.549 230 H N 2.197 121.497 119.070 0.383 0.000 2.643 230 H HA 0.343 4.891 4.556 -0.014 0.000 0.259 230 H C 0.849 176.322 175.328 0.241 0.000 1.298 230 H CA -0.873 55.356 56.048 0.302 0.000 1.301 230 H CB -0.080 29.818 29.762 0.226 0.000 1.422 230 H HN 0.412 nan 8.280 nan 0.000 0.521 231 V N 5.772 125.997 119.914 0.518 0.000 2.254 231 V HA -0.312 3.800 4.120 -0.014 0.000 0.242 231 V C 1.983 178.301 176.094 0.372 0.000 1.024 231 V CA 2.575 65.118 62.300 0.403 0.000 1.009 231 V CB -0.893 31.136 31.823 0.343 0.000 0.653 231 V HN 0.678 nan 8.190 nan 0.000 0.474 232 F N 1.366 121.453 119.950 0.229 0.000 2.080 232 F HA -0.375 4.143 4.527 -0.014 0.000 0.289 232 F C 2.600 178.364 175.800 -0.059 0.000 1.101 232 F CA 3.279 61.331 58.000 0.086 0.000 1.267 232 F CB -0.972 38.097 39.000 0.115 0.000 0.943 232 F HN 0.312 nan 8.300 nan 0.000 0.508 233 R N -0.045 120.186 120.500 -0.448 0.000 2.103 233 R HA -0.200 4.132 4.340 -0.014 0.000 0.234 233 R C 2.334 178.481 176.300 -0.254 0.000 1.132 233 R CA 1.957 57.717 56.100 -0.567 0.000 0.925 233 R CB -0.902 28.970 30.300 -0.714 0.000 0.842 233 R HN 0.411 nan 8.270 nan 0.000 0.430 234 L N 1.846 123.028 121.223 -0.069 0.000 2.187 234 L HA -0.213 4.119 4.340 -0.014 0.000 0.213 234 L C 2.234 179.209 176.870 0.174 0.000 1.100 234 L CA 1.774 56.681 54.840 0.112 0.000 0.765 234 L CB -1.006 41.188 42.059 0.225 0.000 0.904 234 L HN 0.312 nan 8.230 nan 0.000 0.437 235 K N 0.305 120.763 120.400 0.097 0.000 2.148 235 K HA -0.294 4.018 4.320 -0.014 0.000 0.213 235 K C 1.906 178.540 176.600 0.058 0.000 1.050 235 K CA 2.229 58.572 56.287 0.094 0.000 0.932 235 K CB 0.049 32.585 32.500 0.059 0.000 0.717 235 K HN 0.349 nan 8.250 nan 0.000 0.462 236 K N -0.250 120.153 120.400 0.005 0.000 1.990 236 K HA -0.267 4.045 4.320 -0.014 0.000 0.225 236 K C 1.803 178.451 176.600 0.079 0.000 1.053 236 K CA 2.169 58.463 56.287 0.013 0.000 0.982 236 K CB -0.912 31.593 32.500 0.008 0.000 0.734 236 K HN 0.374 nan 8.250 nan 0.000 0.448 237 W N 2.000 123.289 121.300 -0.017 0.000 2.287 237 W HA -0.346 4.306 4.660 -0.013 0.000 0.341 237 W C 1.762 178.218 176.519 -0.105 0.000 1.361 237 W CA 2.176 59.488 57.345 -0.055 0.000 1.241 237 W CB -0.923 28.543 29.460 0.009 0.000 1.120 237 W HN 0.131 nan 8.180 nan 0.000 0.468 238 I N 0.526 120.935 120.570 -0.268 0.000 2.181 238 I HA -0.549 3.613 4.170 -0.014 0.000 0.240 238 I C 2.560 178.336 176.117 -0.568 0.000 1.006 238 I CA 2.697 63.613 61.300 -0.640 0.000 1.284 238 I CB -1.048 36.832 38.000 -0.200 0.000 0.990 238 I HN 0.293 nan 8.210 nan 0.000 0.408 239 Q N 0.553 120.153 119.800 -0.333 0.000 2.020 239 Q HA -0.210 4.122 4.340 -0.014 0.000 0.202 239 Q C 2.140 177.917 176.000 -0.372 0.000 0.982 239 Q CA 1.492 57.102 55.803 -0.323 0.000 0.838 239 Q CB -0.349 28.278 28.738 -0.186 0.000 0.899 239 Q HN 0.389 nan 8.270 nan 0.000 0.423 240 K N 0.366 120.584 120.400 -0.302 0.000 2.144 240 K HA -0.220 4.092 4.320 -0.014 0.000 0.209 240 K C 2.200 178.545 176.600 -0.425 0.000 1.047 240 K CA 1.693 57.807 56.287 -0.288 0.000 0.927 240 K CB -0.508 31.881 32.500 -0.184 0.000 0.716 240 K HN 0.312 nan 8.250 nan 0.000 0.454 241 V N 0.888 120.438 119.914 -0.606 0.000 2.358 241 V HA -0.189 3.923 4.120 -0.014 0.000 0.246 241 V C 2.012 177.644 176.094 -0.771 0.000 1.047 241 V CA 1.738 63.603 62.300 -0.726 0.000 1.035 241 V CB -0.620 30.673 31.823 -0.883 0.000 0.658 241 V HN 0.413 nan 8.190 nan 0.000 0.452 242 I N -0.249 119.812 120.570 -0.848 0.000 2.226 242 I HA -0.205 3.957 4.170 -0.014 0.000 0.245 242 I C 2.108 177.922 176.117 -0.504 0.000 1.100 242 I CA 2.577 63.302 61.300 -0.958 0.000 1.374 242 I CB -1.003 36.444 38.000 -0.922 0.000 1.057 242 I HN 0.281 nan 8.210 nan 0.000 0.413 243 D N 0.231 120.396 120.400 -0.393 0.000 2.354 243 D HA -0.214 4.418 4.640 -0.014 0.000 0.216 243 D C 2.012 178.185 176.300 -0.211 0.000 0.970 243 D CA 0.962 54.814 54.000 -0.246 0.000 0.905 243 D CB 0.100 40.775 40.800 -0.208 0.000 0.903 243 D HN 0.457 nan 8.370 nan 0.000 0.508 244 Q N -1.582 118.033 119.800 -0.309 0.000 2.391 244 Q HA 0.129 4.461 4.340 -0.014 0.000 0.243 244 Q C 0.570 176.505 176.000 -0.109 0.000 0.874 244 Q CA 0.597 56.219 55.803 -0.300 0.000 0.950 244 Q CB 0.271 28.688 28.738 -0.535 0.000 1.103 244 Q HN 0.145 nan 8.270 nan 0.000 0.544 245 F N -0.974 118.940 119.950 -0.060 0.000 2.515 245 F HA 0.489 5.010 4.527 -0.010 0.000 0.267 245 F C 1.522 177.461 175.800 0.232 0.000 0.923 245 F CA 0.297 58.359 58.000 0.104 0.000 1.107 245 F CB -1.131 37.979 39.000 0.183 0.000 1.175 245 F HN 0.031 nan 8.300 nan 0.000 0.742 246 G N 0.000 109.248 108.800 0.747 0.000 5.446 246 G HA2 0.000 3.952 3.960 -0.014 0.000 0.244 246 G HA3 0.000 3.952 3.960 -0.014 0.000 0.244 246 G CA 0.000 45.562 45.100 0.770 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925