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 1dwd_1_H 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 0.000 176.141 176.117 0.040 0.000 1.063 16 I CA 0.000 61.324 61.300 0.040 0.000 1.566 16 I CB 0.000 38.003 38.000 0.005 0.000 1.214 17 V N 5.961 125.912 119.914 0.062 0.000 2.432 17 V HA 0.409 4.528 4.120 -0.002 0.000 0.275 17 V C 0.926 177.055 176.094 0.058 0.000 1.043 17 V CA -0.239 62.096 62.300 0.059 0.000 0.925 17 V CB 0.973 32.840 31.823 0.075 0.000 0.985 17 V HN 0.861 nan 8.190 nan 0.000 0.466 18 E N 1.483 121.706 120.200 0.039 0.000 2.868 18 E HA -0.176 4.173 4.350 -0.002 0.000 0.278 18 E C 0.684 177.305 176.600 0.036 0.000 1.009 18 E CA 0.995 57.416 56.400 0.036 0.000 0.856 18 E CB -1.383 28.346 29.700 0.048 0.000 1.428 18 E HN 1.005 nan 8.360 nan 0.000 0.423 19 G N -0.573 108.241 108.800 0.023 0.000 2.630 19 G HA2 0.603 4.562 3.960 -0.002 0.000 0.223 19 G HA3 0.603 4.562 3.960 -0.002 0.000 0.223 19 G C -0.116 174.782 174.900 -0.003 0.000 1.434 19 G CA 0.283 45.390 45.100 0.013 0.000 1.057 19 G HN 0.117 nan 8.290 nan 0.000 0.570 20 S N -1.023 114.666 115.700 -0.018 0.000 2.607 20 S HA 0.417 4.886 4.470 -0.002 0.000 0.273 20 S C -1.736 172.841 174.600 -0.037 0.000 1.148 20 S CA -0.634 57.554 58.200 -0.020 0.000 0.833 20 S CB 1.854 65.047 63.200 -0.011 0.000 1.130 20 S HN 0.492 nan 8.310 nan 0.000 0.470 21 D N 2.049 122.434 120.400 -0.026 0.000 2.390 21 D HA 0.474 5.113 4.640 -0.002 0.000 0.249 21 D C 0.217 176.510 176.300 -0.011 0.000 1.144 21 D CA 0.166 54.150 54.000 -0.027 0.000 0.880 21 D CB 0.824 41.629 40.800 0.008 0.000 1.182 21 D HN 0.612 nan 8.370 nan 0.000 0.451 22 A N 2.799 125.605 122.820 -0.022 0.000 2.304 22 A HA 0.259 4.578 4.320 -0.002 0.000 0.271 22 A C 0.471 178.117 177.584 0.103 0.000 1.091 22 A CA -0.475 51.560 52.037 -0.003 0.000 0.812 22 A CB 0.409 19.368 19.000 -0.068 0.000 1.056 22 A HN 0.535 nan 8.150 nan 0.000 0.489 23 E N 0.141 120.355 120.200 0.023 0.000 2.349 23 E HA 0.303 4.652 4.350 -0.002 0.000 0.262 23 E C -0.586 175.978 176.600 -0.060 0.000 1.088 23 E CA -0.329 56.066 56.400 -0.008 0.000 0.899 23 E CB 0.820 30.495 29.700 -0.042 0.000 1.044 23 E HN 0.536 nan 8.360 nan 0.000 0.420 24 I N 1.660 122.120 120.570 -0.182 0.000 2.618 24 I HA -0.013 4.156 4.170 -0.002 0.000 0.284 24 I C 1.257 177.318 176.117 -0.093 0.000 1.146 24 I CA 0.831 61.980 61.300 -0.253 0.000 1.425 24 I CB 0.063 37.907 38.000 -0.261 0.000 1.383 24 I HN 0.897 nan 8.210 nan 0.000 0.562 25 G N 5.159 113.936 108.800 -0.039 0.000 2.160 25 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.251 25 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.251 25 G C 0.787 175.546 174.900 -0.237 0.000 1.008 25 G CA 0.411 45.459 45.100 -0.087 0.000 0.724 25 G HN 0.679 nan 8.290 nan 0.000 0.514 26 M N -0.333 119.118 119.600 -0.248 0.000 2.349 26 M HA 0.159 4.638 4.480 -0.002 0.000 0.266 26 M C 0.894 176.810 176.300 -0.640 0.000 1.076 26 M CA 1.448 56.542 55.300 -0.344 0.000 1.126 26 M CB 0.303 32.762 32.600 -0.234 0.000 1.392 26 M HN 0.159 nan 8.290 nan 0.000 0.440 27 S N 0.276 115.550 115.700 -0.710 0.000 2.235 27 S HA 0.276 4.745 4.470 -0.002 0.000 0.152 27 S C -2.085 171.883 174.600 -1.053 0.000 1.649 27 S CA -0.960 56.518 58.200 -1.203 0.000 1.277 27 S CB 0.841 63.578 63.200 -0.772 0.000 1.299 27 S HN 0.166 nan 8.310 nan 0.000 0.388 28 P HA -0.024 nan 4.420 nan 0.000 0.228 28 P C 0.664 177.835 177.300 -0.215 0.000 1.151 28 P CA 0.635 63.481 63.100 -0.423 0.000 0.770 28 P CB -0.246 31.308 31.700 -0.244 0.000 0.786 29 W N -1.245 120.038 121.300 -0.028 0.000 3.278 29 W HA 0.416 5.074 4.660 -0.002 0.000 0.308 29 W C 0.397 176.933 176.519 0.029 0.000 1.253 29 W CA -0.618 56.719 57.345 -0.014 0.000 1.759 29 W CB -1.360 28.075 29.460 -0.041 0.000 1.093 29 W HN -0.161 nan 8.180 nan 0.000 0.648 30 Q N 2.244 122.052 119.800 0.014 0.000 2.293 30 Q HA 0.347 4.686 4.340 -0.002 0.000 0.263 30 Q C -0.826 175.303 176.000 0.214 0.000 1.002 30 Q CA 0.048 55.912 55.803 0.102 0.000 0.910 30 Q CB 0.982 29.668 28.738 -0.086 0.000 1.185 30 Q HN 0.112 nan 8.270 nan 0.000 0.401 31 V N 5.680 125.755 119.914 0.268 0.000 2.581 31 V HA 0.443 4.562 4.120 -0.002 0.000 0.303 31 V C -0.230 176.075 176.094 0.351 0.000 1.041 31 V CA -0.838 61.626 62.300 0.274 0.000 0.907 31 V CB 1.847 33.800 31.823 0.216 0.000 0.994 31 V HN 0.911 nan 8.190 nan 0.000 0.442 32 M N 4.906 124.670 119.600 0.274 0.000 2.205 32 M HA 0.536 5.015 4.480 -0.002 0.000 0.344 32 M C -1.436 174.958 176.300 0.156 0.000 1.085 32 M CA -0.619 54.802 55.300 0.201 0.000 1.001 32 M CB 1.157 33.652 32.600 -0.175 0.000 1.626 32 M HN 0.541 nan 8.290 nan 0.000 0.442 33 L N 5.802 127.130 121.223 0.175 0.000 2.268 33 L HA 0.354 4.693 4.340 -0.002 0.000 0.289 33 L C -1.184 175.792 176.870 0.176 0.000 1.064 33 L CA -0.285 54.646 54.840 0.151 0.000 0.824 33 L CB 0.418 42.546 42.059 0.114 0.000 1.202 33 L HN 0.613 nan 8.230 nan 0.000 0.433 34 F N 4.485 124.427 119.950 -0.013 0.000 2.420 34 F HA 0.459 4.985 4.527 -0.001 0.000 0.342 34 F C 0.656 176.441 175.800 -0.024 0.000 1.113 34 F CA -0.378 57.602 58.000 -0.033 0.000 1.059 34 F CB 1.051 40.017 39.000 -0.057 0.000 1.128 34 F HN 0.410 nan 8.300 nan 0.000 0.475 35 R N 1.793 122.015 120.500 -0.462 0.000 2.542 35 R HA 0.355 4.694 4.340 -0.002 0.000 0.227 35 R C -0.313 175.746 176.300 -0.401 0.000 1.257 35 R CA -0.536 55.361 56.100 -0.339 0.000 1.053 35 R CB 0.779 30.894 30.300 -0.307 0.000 1.463 35 R HN 0.617 nan 8.270 nan 0.000 0.550 36 S N 1.538 117.176 115.700 -0.104 0.000 2.481 36 S HA 0.190 4.659 4.470 -0.002 0.000 0.282 36 S C -1.981 172.567 174.600 -0.087 0.000 1.243 36 S CA -1.469 56.680 58.200 -0.086 0.000 1.078 36 S CB 0.291 63.460 63.200 -0.051 0.000 0.916 36 S HN 0.340 nan 8.310 nan 0.000 0.495 37 P HA 0.193 nan 4.420 nan 0.000 0.272 37 P C -0.838 176.350 177.300 -0.187 0.000 1.230 37 P CA -0.396 62.642 63.100 -0.104 0.000 0.788 37 P CB 0.322 31.973 31.700 -0.083 0.000 0.949 38 Q N 1.269 120.956 119.800 -0.189 0.000 2.296 38 Q HA 0.235 4.574 4.340 -0.002 0.000 0.263 38 Q C 0.148 175.892 176.000 -0.426 0.000 1.026 38 Q CA 0.253 55.830 55.803 -0.377 0.000 0.912 38 Q CB 0.352 29.036 28.738 -0.091 0.000 1.198 38 Q HN 0.495 nan 8.270 nan 0.000 0.407 39 E N 1.759 121.520 120.200 -0.732 0.000 2.401 39 E HA 0.318 4.667 4.350 -0.002 0.000 0.280 39 E C -1.503 174.847 176.600 -0.418 0.000 1.039 39 E CA -0.953 55.202 56.400 -0.408 0.000 0.814 39 E CB 0.736 30.321 29.700 -0.192 0.000 1.275 39 E HN 0.403 nan 8.360 nan 0.000 0.448 40 L N 3.113 124.275 121.223 -0.102 0.000 2.385 40 L HA 0.240 4.579 4.340 -0.002 0.000 0.281 40 L C 0.050 176.933 176.870 0.021 0.000 1.106 40 L CA -0.294 54.562 54.840 0.026 0.000 0.856 40 L CB 0.196 42.313 42.059 0.097 0.000 1.186 40 L HN 0.727 nan 8.230 nan 0.000 0.453 41 L N 4.464 125.699 121.223 0.021 0.000 2.084 41 L HA 0.116 4.455 4.340 -0.002 0.000 0.202 41 L C 0.465 177.386 176.870 0.086 0.000 1.074 41 L CA 0.451 55.311 54.840 0.034 0.000 0.757 41 L CB 0.085 42.150 42.059 0.010 0.000 0.918 41 L HN 0.644 nan 8.230 nan 0.000 0.444 42 c N -2.485 116.186 118.600 0.118 0.000 3.249 42 c HA 0.545 5.114 4.570 -0.002 0.000 0.350 42 c C 0.272 174.484 174.090 0.204 0.000 1.431 42 c CA -1.053 55.363 56.329 0.145 0.000 1.209 42 c CB 0.845 43.405 42.510 0.084 0.000 1.546 42 c HN 0.432 nan 8.230 nan 0.000 0.450 43 G N -0.004 108.922 108.800 0.211 0.000 2.522 43 G HA2 0.891 4.850 3.960 -0.002 0.000 0.304 43 G HA3 0.891 4.850 3.960 -0.002 0.000 0.304 43 G C -0.639 174.379 174.900 0.197 0.000 1.210 43 G CA 0.446 45.697 45.100 0.252 0.000 0.960 43 G HN 1.760 nan 8.290 nan 0.000 0.497 44 A N -0.809 122.140 122.820 0.214 0.000 2.483 44 A HA 0.811 5.130 4.320 -0.002 0.000 0.294 44 A C -0.473 177.243 177.584 0.220 0.000 1.077 44 A CA 0.131 52.285 52.037 0.195 0.000 0.633 44 A CB 0.874 19.980 19.000 0.177 0.000 1.318 44 A HN 2.125 nan 8.150 nan 0.000 0.455 45 S N -0.571 115.258 115.700 0.215 0.000 2.541 45 S HA 0.654 5.123 4.470 -0.002 0.000 0.280 45 S C -1.157 173.575 174.600 0.219 0.000 1.112 45 S CA -0.565 57.781 58.200 0.244 0.000 0.925 45 S CB 1.467 64.807 63.200 0.234 0.000 1.067 45 S HN 1.908 nan 8.310 nan 0.000 0.479 46 L N 3.736 125.103 121.223 0.240 0.000 2.295 46 L HA 0.488 4.827 4.340 -0.002 0.000 0.288 46 L C 0.636 177.596 176.870 0.151 0.000 1.079 46 L CA -0.373 54.591 54.840 0.207 0.000 0.830 46 L CB 0.069 42.252 42.059 0.206 0.000 1.200 46 L HN 0.839 nan 8.230 nan 0.000 0.438 47 I N 1.630 122.289 120.570 0.149 0.000 3.883 47 I HA 0.383 4.552 4.170 -0.002 0.000 0.326 47 I C 0.228 176.409 176.117 0.107 0.000 1.283 47 I CA 0.328 61.678 61.300 0.083 0.000 1.161 47 I CB -0.252 37.789 38.000 0.067 0.000 1.012 47 I HN 0.645 nan 8.210 nan 0.000 0.421 48 S N -0.903 114.916 115.700 0.199 0.000 2.707 48 S HA 0.050 4.519 4.470 -0.002 0.000 0.270 48 S C 0.119 174.947 174.600 0.380 0.000 1.031 48 S CA -0.104 58.269 58.200 0.289 0.000 0.866 48 S CB 0.679 64.031 63.200 0.254 0.000 1.114 48 S HN 0.269 nan 8.310 nan 0.000 0.465 49 D N 0.421 121.063 120.400 0.403 0.000 2.276 49 D HA -0.184 4.455 4.640 -0.002 0.000 0.200 49 D C 1.410 177.747 176.300 0.062 0.000 1.004 49 D CA 2.222 56.294 54.000 0.120 0.000 0.898 49 D CB 0.058 40.846 40.800 -0.019 0.000 0.906 49 D HN 0.535 nan 8.370 nan 0.000 0.457 50 R N -2.619 117.933 120.500 0.087 0.000 2.526 50 R HA 0.188 4.527 4.340 -0.002 0.000 0.346 50 R C -0.883 175.292 176.300 -0.207 0.000 0.926 50 R CA -0.374 55.669 56.100 -0.096 0.000 1.147 50 R CB 0.538 30.695 30.300 -0.240 0.000 1.629 50 R HN 0.074 nan 8.270 nan 0.000 0.516 51 W N 0.673 122.008 121.300 0.059 0.000 2.736 51 W HA 0.560 5.219 4.660 -0.002 0.000 0.335 51 W C -0.466 176.099 176.519 0.077 0.000 1.059 51 W CA -0.716 56.660 57.345 0.052 0.000 1.226 51 W CB 1.709 31.173 29.460 0.006 0.000 1.416 51 W HN -0.357 nan 8.180 nan 0.000 0.505 52 V N 4.259 124.384 119.914 0.351 0.000 2.540 52 V HA 0.439 4.558 4.120 -0.002 0.000 0.302 52 V C -1.019 175.236 176.094 0.268 0.000 1.035 52 V CA -1.086 61.370 62.300 0.259 0.000 0.873 52 V CB 1.587 33.526 31.823 0.194 0.000 0.992 52 V HN 0.347 nan 8.190 nan 0.000 0.428 53 L N 4.408 125.765 121.223 0.223 0.000 2.296 53 L HA 0.865 5.204 4.340 -0.002 0.000 0.286 53 L C -0.080 176.902 176.870 0.186 0.000 1.023 53 L CA 0.919 55.885 54.840 0.209 0.000 0.812 53 L CB 1.652 43.818 42.059 0.178 0.000 1.223 53 L HN 0.853 nan 8.230 nan 0.000 0.421 54 T N 3.111 117.769 114.554 0.173 0.000 2.696 54 T HA 0.854 5.203 4.350 -0.002 0.000 0.291 54 T C -1.125 173.617 174.700 0.070 0.000 1.095 54 T CA -0.055 62.116 62.100 0.118 0.000 1.026 54 T CB 1.298 70.223 68.868 0.095 0.000 1.390 54 T HN 0.869 nan 8.240 nan 0.000 0.513 55 A N 0.546 123.351 122.820 -0.026 0.000 2.304 55 A HA 0.749 5.068 4.320 -0.002 0.000 0.301 55 A C 1.464 178.919 177.584 -0.216 0.000 1.132 55 A CA 0.218 52.188 52.037 -0.112 0.000 0.819 55 A CB 0.331 19.209 19.000 -0.204 0.000 1.094 55 A HN 1.158 nan 8.150 nan 0.000 0.492 56 A N 1.094 123.748 122.820 -0.277 0.000 1.858 56 A HA -0.172 4.147 4.320 -0.002 0.000 0.216 56 A C 1.802 179.144 177.584 -0.403 0.000 1.190 56 A CA 1.805 53.562 52.037 -0.467 0.000 0.617 56 A CB -1.271 17.116 19.000 -1.022 0.000 0.827 56 A HN 1.180 nan 8.150 nan 0.000 0.443 57 H N -1.372 117.554 119.070 -0.240 0.000 2.561 57 H HA -0.131 4.424 4.556 -0.002 0.000 0.289 57 H C 1.507 176.856 175.328 0.035 0.000 1.054 57 H CA 1.308 57.381 56.048 0.042 0.000 1.210 57 H CB -0.692 29.183 29.762 0.188 0.000 1.353 57 H HN 0.427 nan 8.280 nan 0.000 0.601 58 c N 0.812 119.215 118.600 -0.329 0.000 2.563 58 c HA 0.298 4.867 4.570 -0.002 0.000 0.268 58 c C 1.372 175.431 174.090 -0.051 0.000 1.365 58 c CA -0.325 55.904 56.329 -0.166 0.000 1.754 58 c CB -0.497 41.914 42.510 -0.165 0.000 1.932 58 c HN 0.352 nan 8.230 nan 0.000 0.536 59 L N -0.076 121.114 121.223 -0.056 0.000 2.298 59 L HA 0.521 4.860 4.340 -0.002 0.000 0.268 59 L C 0.543 177.403 176.870 -0.016 0.000 1.010 59 L CA -0.160 54.665 54.840 -0.026 0.000 0.812 59 L CB 1.259 43.305 42.059 -0.021 0.000 1.331 59 L HN 0.063 nan 8.230 nan 0.000 0.450 60 T N -3.721 110.818 114.554 -0.024 0.000 2.937 60 T HA 0.277 4.626 4.350 -0.002 0.000 0.283 60 T C 0.673 175.359 174.700 -0.025 0.000 1.012 60 T CA -0.575 61.510 62.100 -0.026 0.000 0.997 60 T CB 1.476 70.328 68.868 -0.027 0.000 1.136 60 T HN 0.564 nan 8.240 nan 0.000 0.551 61 E N 0.609 120.790 120.200 -0.031 0.000 2.219 61 E HA -0.131 4.218 4.350 -0.002 0.000 0.198 61 E C 1.602 178.188 176.600 -0.023 0.000 0.998 61 E CA 1.516 57.897 56.400 -0.031 0.000 0.818 61 E CB -0.202 29.471 29.700 -0.045 0.000 0.741 61 E HN 0.590 nan 8.360 nan 0.000 0.477 62 N N 0.382 119.068 118.700 -0.023 0.000 2.280 62 N HA -0.025 4.714 4.740 -0.002 0.000 0.192 62 N C 0.131 175.630 175.510 -0.018 0.000 1.109 62 N CA 0.381 53.420 53.050 -0.019 0.000 0.855 62 N CB 0.458 38.933 38.487 -0.020 0.000 0.974 62 N HN 0.158 nan 8.380 nan 0.000 0.482 63 D N 0.745 121.132 120.400 -0.020 0.000 2.333 63 D HA 0.097 4.736 4.640 -0.002 0.000 0.208 63 D C 0.640 176.926 176.300 -0.023 0.000 0.984 63 D CA 0.439 54.423 54.000 -0.026 0.000 0.873 63 D CB 0.562 41.343 40.800 -0.032 0.000 0.935 63 D HN 0.184 nan 8.370 nan 0.000 0.521 64 L N -0.326 120.893 121.223 -0.006 0.000 2.286 64 L HA 0.544 4.883 4.340 -0.002 0.000 0.265 64 L C -0.271 176.624 176.870 0.041 0.000 1.012 64 L CA -0.838 54.011 54.840 0.015 0.000 0.818 64 L CB 1.587 43.659 42.059 0.023 0.000 1.337 64 L HN -0.290 nan 8.230 nan 0.000 0.438 65 L N 0.212 121.486 121.223 0.085 0.000 2.393 65 L HA 0.706 5.045 4.340 -0.002 0.000 0.260 65 L C -1.285 175.654 176.870 0.115 0.000 1.002 65 L CA -0.893 54.009 54.840 0.104 0.000 0.818 65 L CB 2.615 44.771 42.059 0.162 0.000 1.369 65 L HN 0.202 nan 8.230 nan 0.000 0.412 66 V N 2.322 122.285 119.914 0.081 0.000 2.444 66 V HA 0.494 4.613 4.120 -0.002 0.000 0.294 66 V C -0.653 175.474 176.094 0.056 0.000 1.022 66 V CA -0.467 61.883 62.300 0.082 0.000 0.850 66 V CB 1.936 33.806 31.823 0.078 0.000 0.992 66 V HN 0.645 nan 8.190 nan 0.000 0.426 67 R N 6.066 126.592 120.500 0.044 0.000 2.337 67 R HA 0.656 4.995 4.340 -0.002 0.000 0.319 67 R C -1.153 175.177 176.300 0.050 0.000 0.954 67 R CA -0.439 55.661 56.100 -0.001 0.000 0.840 67 R CB 1.747 31.976 30.300 -0.118 0.000 1.164 67 R HN 0.566 nan 8.270 nan 0.000 0.472 68 I N 0.793 121.409 120.570 0.076 0.000 2.460 68 I HA 0.442 4.610 4.170 -0.002 0.000 0.298 68 I C 1.084 177.266 176.117 0.107 0.000 0.989 68 I CA -0.284 61.087 61.300 0.118 0.000 1.173 68 I CB 2.014 40.095 38.000 0.135 0.000 1.338 68 I HN 0.874 nan 8.210 nan 0.000 0.456 69 G N 3.408 112.286 108.800 0.129 0.000 2.141 69 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.231 69 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.231 69 G C 0.094 175.043 174.900 0.082 0.000 0.984 69 G CA -0.516 44.654 45.100 0.117 0.000 0.660 69 G HN 0.561 nan 8.290 nan 0.000 0.525 70 K N -0.990 119.494 120.400 0.139 0.000 2.154 70 K HA 0.565 4.883 4.320 -0.002 0.000 0.264 70 K C 0.772 177.574 176.600 0.336 0.000 1.008 70 K CA -0.337 56.042 56.287 0.154 0.000 0.937 70 K CB 1.180 33.698 32.500 0.029 0.000 1.002 70 K HN 0.305 nan 8.250 nan 0.000 0.469 71 H N -0.166 118.995 119.070 0.151 0.000 2.179 71 H HA 0.114 4.669 4.556 -0.002 0.000 0.246 71 H C 0.187 175.678 175.328 0.272 0.000 0.904 71 H CA 0.377 56.531 56.048 0.175 0.000 1.113 71 H CB 0.399 30.178 29.762 0.029 0.000 1.396 71 H HN 0.484 nan 8.280 nan 0.000 0.484 72 S N 0.483 116.242 115.700 0.099 0.000 2.565 72 S HA 0.112 4.581 4.470 -0.002 0.000 0.276 72 S C 1.447 175.987 174.600 -0.100 0.000 1.326 72 S CA -0.332 57.870 58.200 0.004 0.000 1.045 72 S CB 0.946 64.141 63.200 -0.008 0.000 0.918 72 S HN 0.543 nan 8.310 nan 0.000 0.505 73 R N 1.645 122.075 120.500 -0.117 0.000 2.073 73 R HA -0.057 4.282 4.340 -0.002 0.000 0.229 73 R C 1.978 178.098 176.300 -0.300 0.000 1.120 73 R CA 2.065 57.930 56.100 -0.390 0.000 0.967 73 R CB -0.694 29.538 30.300 -0.114 0.000 0.862 73 R HN 0.859 nan 8.270 nan 0.000 0.436 74 T N -2.048 112.422 114.554 -0.140 0.000 3.039 74 T HA 0.203 4.552 4.350 -0.002 0.000 0.250 74 T C 0.928 175.581 174.700 -0.079 0.000 1.052 74 T CA -0.343 61.704 62.100 -0.088 0.000 1.125 74 T CB 0.043 68.892 68.868 -0.031 0.000 0.908 74 T HN 0.097 nan 8.240 nan 0.000 0.473 75 R N 0.529 120.987 120.500 -0.069 0.000 2.774 75 R HA 0.386 4.724 4.340 -0.002 0.000 0.269 75 R C -0.219 176.069 176.300 -0.019 0.000 1.068 75 R CA -0.475 55.602 56.100 -0.038 0.000 1.180 75 R CB 0.206 30.479 30.300 -0.044 0.000 1.077 75 R HN 0.371 nan 8.270 nan 0.000 0.513 76 Y N -0.082 120.140 120.300 -0.130 0.000 2.679 76 Y HA 0.323 4.872 4.550 -0.002 0.000 0.331 76 Y C 0.296 176.126 175.900 -0.116 0.000 1.183 76 Y CA -0.900 57.112 58.100 -0.148 0.000 1.290 76 Y CB 0.877 39.259 38.460 -0.130 0.000 1.489 76 Y HN 0.540 nan 8.280 nan 0.000 0.583 77 R N -1.443 118.514 120.500 -0.904 0.000 3.262 77 R HA 0.131 4.470 4.340 -0.002 0.000 0.076 77 R C 1.236 177.323 176.300 -0.354 0.000 0.789 77 R CA 0.971 56.586 56.100 -0.808 0.000 2.301 77 R CB -1.630 28.302 30.300 -0.614 0.000 1.525 77 R HN 0.570 nan 8.270 nan 0.000 0.473 78 N N 1.703 120.242 118.700 -0.269 0.000 2.354 78 N HA 0.215 4.954 4.740 -0.002 0.000 0.179 78 N C 1.779 177.207 175.510 -0.138 0.000 1.021 78 N CA 1.614 54.567 53.050 -0.162 0.000 0.887 78 N CB -0.002 38.408 38.487 -0.127 0.000 0.974 78 N HN 0.258 nan 8.380 nan 0.000 0.437 79 I N 0.077 120.523 120.570 -0.208 0.000 3.039 79 I HA 0.048 4.217 4.170 -0.002 0.000 0.270 79 I C 1.085 177.136 176.117 -0.110 0.000 1.150 79 I CA 0.079 61.249 61.300 -0.217 0.000 1.448 79 I CB 0.119 37.828 38.000 -0.487 0.000 1.197 79 I HN 0.530 nan 8.210 nan 0.000 0.450 80 E N 2.608 122.736 120.200 -0.120 0.000 2.371 80 E HA 0.456 4.805 4.350 -0.002 0.000 0.257 80 E C -0.338 176.272 176.600 0.017 0.000 1.134 80 E CA -0.522 55.858 56.400 -0.033 0.000 0.919 80 E CB 0.738 30.416 29.700 -0.038 0.000 1.025 80 E HN 0.038 nan 8.360 nan 0.000 0.438 81 K N 2.379 122.808 120.400 0.048 0.000 2.507 81 K HA 0.415 4.734 4.320 -0.002 0.000 0.251 81 K C -0.794 175.837 176.600 0.051 0.000 0.943 81 K CA -0.644 55.679 56.287 0.060 0.000 0.794 81 K CB 0.967 33.509 32.500 0.069 0.000 1.188 81 K HN 0.545 nan 8.250 nan 0.000 0.428 82 I N 2.693 123.289 120.570 0.044 0.000 2.304 82 I HA 0.347 4.516 4.170 -0.002 0.000 0.291 82 I C -0.033 176.094 176.117 0.015 0.000 1.018 82 I CA -0.749 60.561 61.300 0.016 0.000 1.260 82 I CB 1.562 39.553 38.000 -0.015 0.000 1.390 82 I HN 0.614 nan 8.210 nan 0.000 0.475 83 S N 6.922 122.635 115.700 0.021 0.000 2.607 83 S HA 0.683 5.152 4.470 -0.002 0.000 0.303 83 S C -0.329 174.277 174.600 0.011 0.000 1.086 83 S CA -0.856 57.352 58.200 0.014 0.000 0.995 83 S CB 2.164 65.374 63.200 0.017 0.000 1.084 83 S HN 0.459 nan 8.310 nan 0.000 0.507 84 M N 2.131 121.729 119.600 -0.003 0.000 2.404 84 M HA 0.467 4.946 4.480 -0.002 0.000 0.338 84 M C -0.982 175.305 176.300 -0.021 0.000 1.150 84 M CA -0.587 54.708 55.300 -0.007 0.000 1.016 84 M CB 0.944 33.536 32.600 -0.013 0.000 1.672 84 M HN 0.360 nan 8.290 nan 0.000 0.448 85 L N 1.507 122.718 121.223 -0.019 0.000 2.397 85 L HA 0.197 4.536 4.340 -0.002 0.000 0.271 85 L C 1.206 178.044 176.870 -0.053 0.000 1.148 85 L CA 0.092 54.911 54.840 -0.035 0.000 0.825 85 L CB 0.617 42.664 42.059 -0.020 0.000 1.117 85 L HN 0.875 nan 8.230 nan 0.000 0.456 86 E N 1.624 121.776 120.200 -0.079 0.000 2.290 86 E HA 0.043 4.392 4.350 -0.002 0.000 0.197 86 E C -0.111 176.438 176.600 -0.085 0.000 0.948 86 E CA 0.218 56.570 56.400 -0.080 0.000 0.895 86 E CB 0.778 30.418 29.700 -0.100 0.000 0.865 86 E HN 0.477 nan 8.360 nan 0.000 0.486 87 K N 0.345 120.685 120.400 -0.100 0.000 2.583 87 K HA 0.350 4.669 4.320 -0.002 0.000 0.260 87 K C -2.005 174.489 176.600 -0.178 0.000 0.931 87 K CA -0.279 55.909 56.287 -0.164 0.000 0.849 87 K CB 1.123 33.523 32.500 -0.167 0.000 1.347 87 K HN 0.022 nan 8.250 nan 0.000 0.425 88 I N 4.205 124.622 120.570 -0.255 0.000 2.493 88 I HA 0.444 4.613 4.170 -0.002 0.000 0.298 88 I C -0.909 175.036 176.117 -0.287 0.000 0.998 88 I CA -1.052 60.178 61.300 -0.115 0.000 1.137 88 I CB 1.316 39.298 38.000 -0.031 0.000 1.310 88 I HN 0.548 nan 8.210 nan 0.000 0.445 89 Y N 5.839 126.276 120.300 0.229 0.000 2.326 89 Y HA 0.540 5.089 4.550 -0.002 0.000 0.329 89 Y C -0.145 176.001 175.900 0.410 0.000 0.973 89 Y CA -0.601 57.686 58.100 0.311 0.000 1.162 89 Y CB 1.398 40.053 38.460 0.325 0.000 1.147 89 Y HN 0.267 nan 8.280 nan 0.000 0.456 90 I N 3.128 123.958 120.570 0.433 0.000 2.412 90 I HA 0.186 4.355 4.170 -0.002 0.000 0.296 90 I C 0.250 176.470 176.117 0.171 0.000 0.987 90 I CA -1.003 60.463 61.300 0.276 0.000 1.180 90 I CB 1.225 39.314 38.000 0.149 0.000 1.340 90 I HN 0.632 nan 8.210 nan 0.000 0.455 91 H N 8.151 127.027 119.070 -0.323 0.000 3.107 91 H HA 0.014 4.569 4.556 -0.002 0.000 0.301 91 H C -1.617 173.610 175.328 -0.168 0.000 0.981 91 H CA -0.760 54.874 56.048 -0.691 0.000 1.443 91 H CB 1.268 30.492 29.762 -0.896 0.000 1.479 91 H HN 0.344 nan 8.280 nan 0.000 0.564 92 P HA -0.166 nan 4.420 nan 0.000 0.217 92 P C 0.955 178.285 177.300 0.050 0.000 1.148 92 P CA 1.801 64.833 63.100 -0.112 0.000 0.828 92 P CB 0.081 31.688 31.700 -0.156 0.000 0.783 93 R N -1.044 119.586 120.500 0.217 0.000 2.694 93 R HA 0.120 4.459 4.340 -0.002 0.000 0.334 93 R C 0.113 176.549 176.300 0.226 0.000 1.143 93 R CA -0.668 55.571 56.100 0.230 0.000 1.073 93 R CB -2.031 28.375 30.300 0.176 0.000 1.366 93 R HN 0.225 nan 8.270 nan 0.000 0.577 94 Y N 1.771 122.155 120.300 0.140 0.000 2.605 94 Y HA 0.234 4.782 4.550 -0.002 0.000 0.336 94 Y C -0.009 175.936 175.900 0.074 0.000 1.111 94 Y CA -1.233 56.925 58.100 0.097 0.000 1.422 94 Y CB 0.580 39.132 38.460 0.152 0.000 1.193 94 Y HN 0.294 nan 8.280 nan 0.000 0.526 95 N N 8.604 127.166 118.700 -0.231 0.000 2.868 95 N HA 0.009 4.748 4.740 -0.002 0.000 0.252 95 N C -0.279 174.889 175.510 -0.570 0.000 1.130 95 N CA -0.545 52.242 53.050 -0.438 0.000 1.026 95 N CB -0.214 38.124 38.487 -0.247 0.000 1.335 95 N HN 0.826 nan 8.380 nan 0.000 0.516 96 W N 4.222 125.044 121.300 -0.796 0.000 2.423 96 W HA 0.161 4.821 4.660 -0.001 0.000 0.447 96 W C 0.587 176.927 176.519 -0.300 0.000 0.711 96 W CA -0.492 56.493 57.345 -0.600 0.000 2.283 96 W CB -1.023 28.059 29.460 -0.630 0.000 0.914 96 W HN 0.482 nan 8.180 nan 0.000 0.641 97 E N 2.072 122.083 120.200 -0.315 0.000 2.136 97 E HA -0.341 4.008 4.350 -0.002 0.000 0.202 97 E C 0.916 177.350 176.600 -0.276 0.000 1.019 97 E CA 2.265 58.513 56.400 -0.253 0.000 0.819 97 E CB -0.468 29.099 29.700 -0.222 0.000 0.739 97 E HN 0.390 nan 8.360 nan 0.000 0.458 98 N N -0.410 118.131 118.700 -0.266 0.000 2.081 98 N HA 0.118 4.856 4.740 -0.002 0.000 0.230 98 N C 0.024 175.390 175.510 -0.241 0.000 1.351 98 N CA -0.025 52.830 53.050 -0.324 0.000 0.840 98 N CB 0.152 38.492 38.487 -0.244 0.000 1.189 98 N HN 0.199 nan 8.380 nan 0.000 0.503 99 L N 0.092 121.239 121.223 -0.126 0.000 3.717 99 L HA -0.221 4.118 4.340 -0.002 0.000 0.411 99 L C -0.644 176.345 176.870 0.198 0.000 1.233 99 L CA 0.587 55.495 54.840 0.113 0.000 0.917 99 L CB -1.458 40.709 42.059 0.180 0.000 1.902 99 L HN 0.260 nan 8.230 nan 0.000 0.894 100 D N 1.197 121.646 120.400 0.082 0.000 2.382 100 D HA 0.264 4.903 4.640 -0.002 0.000 0.245 100 D C 0.872 177.242 176.300 0.116 0.000 1.120 100 D CA 0.274 54.328 54.000 0.090 0.000 0.890 100 D CB 0.488 41.296 40.800 0.014 0.000 1.201 100 D HN 0.205 nan 8.370 nan 0.000 0.433 101 R N 1.476 122.003 120.500 0.046 0.000 3.332 101 R HA -0.205 4.133 4.340 -0.002 0.000 0.263 101 R C -0.729 175.586 176.300 0.024 0.000 1.053 101 R CA 0.478 56.516 56.100 -0.103 0.000 0.705 101 R CB -1.694 28.353 30.300 -0.422 0.000 1.166 101 R HN 0.405 nan 8.270 nan 0.000 0.427 102 D N 1.407 121.887 120.400 0.134 0.000 2.545 102 D HA 0.297 4.936 4.640 -0.002 0.000 0.227 102 D C -0.119 176.179 176.300 -0.002 0.000 1.150 102 D CA 0.167 54.229 54.000 0.104 0.000 1.046 102 D CB 0.093 41.059 40.800 0.276 0.000 1.098 102 D HN 0.408 nan 8.370 nan 0.000 0.502 103 I N 0.821 121.339 120.570 -0.086 0.000 2.969 103 I HA 0.737 4.906 4.170 -0.002 0.000 0.307 103 I C -1.746 174.393 176.117 0.037 0.000 1.149 103 I CA -0.755 60.550 61.300 0.009 0.000 1.008 103 I CB 1.889 39.921 38.000 0.053 0.000 1.232 103 I HN 0.261 nan 8.210 nan 0.000 0.435 104 A N 6.525 129.487 122.820 0.236 0.000 2.582 104 A HA 0.672 4.991 4.320 -0.002 0.000 0.297 104 A C -2.121 175.716 177.584 0.422 0.000 1.059 104 A CA -0.462 51.797 52.037 0.368 0.000 0.705 104 A CB 1.226 20.324 19.000 0.162 0.000 1.279 104 A HN 0.595 nan 8.150 nan 0.000 0.404 105 L N 1.807 123.347 121.223 0.528 0.000 2.334 105 L HA 0.758 5.097 4.340 -0.002 0.000 0.273 105 L C -0.265 176.917 176.870 0.520 0.000 1.013 105 L CA -0.473 54.639 54.840 0.453 0.000 0.816 105 L CB 1.968 44.199 42.059 0.287 0.000 1.278 105 L HN 0.775 nan 8.230 nan 0.000 0.431 106 M N 2.906 122.773 119.600 0.445 0.000 2.326 106 M HA 0.398 4.877 4.480 -0.002 0.000 0.306 106 M C -0.813 175.548 176.300 0.101 0.000 1.054 106 M CA -0.520 54.944 55.300 0.274 0.000 0.922 106 M CB 2.420 35.114 32.600 0.156 0.000 1.632 106 M HN 0.354 nan 8.290 nan 0.000 0.436 107 K N 4.261 124.573 120.400 -0.146 0.000 2.253 107 K HA 0.519 4.838 4.320 -0.002 0.000 0.277 107 K C -0.960 175.428 176.600 -0.353 0.000 1.053 107 K CA -0.419 55.480 56.287 -0.645 0.000 0.892 107 K CB 0.810 32.764 32.500 -0.911 0.000 1.102 107 K HN 0.755 nan 8.250 nan 0.000 0.469 108 L N 4.660 125.687 121.223 -0.326 0.000 2.461 108 L HA 0.035 4.374 4.340 -0.002 0.000 0.272 108 L C 1.634 178.402 176.870 -0.170 0.000 1.197 108 L CA 0.044 54.779 54.840 -0.174 0.000 0.836 108 L CB 0.478 42.473 42.059 -0.107 0.000 1.105 108 L HN 0.721 nan 8.230 nan 0.000 0.477 109 K N 1.434 121.772 120.400 -0.104 0.000 2.057 109 K HA -0.057 4.262 4.320 -0.002 0.000 0.207 109 K C 0.004 176.556 176.600 -0.080 0.000 1.049 109 K CA 1.429 57.665 56.287 -0.085 0.000 0.931 109 K CB 0.111 32.578 32.500 -0.056 0.000 0.714 109 K HN 0.510 nan 8.250 nan 0.000 0.440 110 K N 0.473 120.830 120.400 -0.072 0.000 2.464 110 K HA 0.316 4.635 4.320 -0.002 0.000 0.253 110 K C -2.778 173.781 176.600 -0.068 0.000 0.933 110 K CA -2.148 54.101 56.287 -0.064 0.000 0.801 110 K CB 2.008 34.481 32.500 -0.045 0.000 1.271 110 K HN -0.205 nan 8.250 nan 0.000 0.430 111 P HA -0.016 nan 4.420 nan 0.000 0.268 111 P C -0.612 176.639 177.300 -0.080 0.000 1.208 111 P CA -0.414 62.632 63.100 -0.088 0.000 0.777 111 P CB 0.616 32.249 31.700 -0.112 0.000 0.875 112 V N 1.427 121.294 119.914 -0.078 0.000 2.713 112 V HA 0.613 4.732 4.120 -0.002 0.000 0.307 112 V C -0.254 175.750 176.094 -0.149 0.000 1.052 112 V CA -0.868 61.409 62.300 -0.038 0.000 0.967 112 V CB 1.478 33.345 31.823 0.075 0.000 1.019 112 V HN 0.690 nan 8.190 nan 0.000 0.459 113 A N 5.684 128.468 122.820 -0.061 0.000 2.269 113 A HA 0.644 4.963 4.320 -0.002 0.000 0.302 113 A C -0.417 177.233 177.584 0.110 0.000 1.266 113 A CA -0.377 51.610 52.037 -0.084 0.000 0.894 113 A CB -0.179 18.810 19.000 -0.018 0.000 1.147 113 A HN 0.608 nan 8.150 nan 0.000 0.537 114 F N 1.923 121.910 119.950 0.062 0.000 2.545 114 F HA 0.371 4.897 4.527 -0.002 0.000 0.348 114 F C 1.430 177.285 175.800 0.091 0.000 1.163 114 F CA 0.425 58.480 58.000 0.091 0.000 1.331 114 F CB 0.516 39.582 39.000 0.110 0.000 1.138 114 F HN 0.777 nan 8.300 nan 0.000 0.602 115 S N -0.328 115.564 115.700 0.319 0.000 3.070 115 S HA 0.352 4.821 4.470 -0.002 0.000 0.320 115 S C 0.042 174.658 174.600 0.026 0.000 1.215 115 S CA -0.661 57.634 58.200 0.159 0.000 0.956 115 S CB 1.194 64.493 63.200 0.166 0.000 1.337 115 S HN 0.320 nan 8.310 nan 0.000 0.639 116 D N -0.183 120.120 120.400 -0.162 0.000 2.317 116 D HA 0.191 4.830 4.640 -0.002 0.000 0.211 116 D C 0.720 176.673 176.300 -0.578 0.000 0.966 116 D CA 1.071 54.802 54.000 -0.448 0.000 0.876 116 D CB -0.188 40.172 40.800 -0.733 0.000 0.927 116 D HN 0.521 nan 8.370 nan 0.000 0.519 117 Y N -0.353 119.938 120.300 -0.015 0.000 2.498 117 Y HA 0.346 4.895 4.550 -0.001 0.000 0.259 117 Y C 0.818 176.712 175.900 -0.010 0.000 1.086 117 Y CA -0.143 57.936 58.100 -0.034 0.000 1.287 117 Y CB 0.856 39.304 38.460 -0.020 0.000 1.146 117 Y HN -0.197 nan 8.280 nan 0.000 0.523 118 I N 0.582 121.252 120.570 0.167 0.000 2.411 118 I HA 0.334 4.503 4.170 -0.002 0.000 0.284 118 I C -1.153 175.029 176.117 0.108 0.000 1.012 118 I CA -0.462 60.935 61.300 0.162 0.000 1.119 118 I CB 1.193 39.338 38.000 0.241 0.000 1.261 118 I HN 0.026 nan 8.210 nan 0.000 0.448 119 H N 7.199 126.183 119.070 -0.143 0.000 3.038 119 H HA 0.489 5.044 4.556 -0.002 0.000 0.362 119 H C -2.897 172.334 175.328 -0.162 0.000 1.167 119 H CA -1.394 54.452 56.048 -0.338 0.000 1.197 119 H CB 3.057 32.725 29.762 -0.156 0.000 1.840 119 H HN 0.208 nan 8.280 nan 0.000 0.540 120 P HA 0.134 nan 4.420 nan 0.000 0.277 120 P C -0.725 176.516 177.300 -0.099 0.000 1.240 120 P CA -0.384 62.549 63.100 -0.279 0.000 0.798 120 P CB 1.463 32.939 31.700 -0.374 0.000 0.979 121 V N 2.410 122.226 119.914 -0.164 0.000 2.973 121 V HA 0.336 4.455 4.120 -0.002 0.000 0.314 121 V C -0.269 175.617 176.094 -0.348 0.000 1.066 121 V CA -0.433 61.533 62.300 -0.558 0.000 1.021 121 V CB 1.300 32.467 31.823 -1.093 0.000 1.076 121 V HN 0.673 nan 8.190 nan 0.000 0.462 122 C N 4.512 123.570 119.300 -0.404 0.000 2.351 122 C HA 0.572 5.030 4.460 -0.002 0.000 0.359 122 C C 0.093 175.032 174.990 -0.085 0.000 1.193 122 C CA -0.892 57.969 59.018 -0.262 0.000 2.270 122 C CB 0.523 27.982 27.740 -0.469 0.000 2.369 122 C HN 0.751 nan 8.230 nan 0.000 0.553 123 L N 3.531 124.791 121.223 0.063 0.000 2.325 123 L HA 0.441 4.780 4.340 -0.002 0.000 0.279 123 L C -1.895 175.173 176.870 0.329 0.000 1.054 123 L CA -1.270 53.669 54.840 0.166 0.000 0.804 123 L CB 1.299 43.419 42.059 0.103 0.000 1.200 123 L HN 0.470 nan 8.230 nan 0.000 0.436 124 P HA 0.211 nan 4.420 nan 0.000 0.276 124 P C -1.677 175.811 177.300 0.314 0.000 1.244 124 P CA -0.506 62.748 63.100 0.256 0.000 0.801 124 P CB 0.918 32.703 31.700 0.143 0.000 1.006 125 D N -1.356 119.127 120.400 0.138 0.000 2.449 125 D HA 0.323 4.962 4.640 -0.002 0.000 0.250 125 D C 1.357 177.635 176.300 -0.036 0.000 1.050 125 D CA -0.944 53.184 54.000 0.213 0.000 1.024 125 D CB 1.056 41.916 40.800 0.101 0.000 1.218 125 D HN 0.160 nan 8.370 nan 0.000 0.566 126 R N -0.473 120.052 120.500 0.041 0.000 2.096 126 R HA -0.258 4.081 4.340 -0.002 0.000 0.240 126 R C 2.281 178.395 176.300 -0.311 0.000 1.139 126 R CA 2.547 58.513 56.100 -0.224 0.000 0.952 126 R CB -0.642 29.696 30.300 0.063 0.000 0.854 126 R HN 0.715 nan 8.270 nan 0.000 0.436 127 E N 0.044 120.132 120.200 -0.186 0.000 2.072 127 E HA -0.061 4.288 4.350 -0.002 0.000 0.190 127 E C 0.876 177.331 176.600 -0.242 0.000 0.982 127 E CA 1.307 57.599 56.400 -0.180 0.000 0.803 127 E CB -0.877 28.753 29.700 -0.117 0.000 0.755 127 E HN 0.419 nan 8.360 nan 0.000 0.453 128 T N 1.032 115.409 114.554 -0.296 0.000 2.792 128 T HA 0.354 4.703 4.350 -0.002 0.000 0.286 128 T C 0.967 175.444 174.700 -0.372 0.000 0.970 128 T CA 0.932 62.799 62.100 -0.388 0.000 1.187 128 T CB -0.004 68.506 68.868 -0.596 0.000 0.915 128 T HN 0.516 nan 8.240 nan 0.000 0.529 129 L N 1.488 122.670 121.223 -0.069 0.000 1.988 129 L HA -0.138 4.201 4.340 -0.002 0.000 0.490 129 L C 0.790 177.710 176.870 0.082 0.000 0.728 129 L CA 0.361 55.190 54.840 -0.018 0.000 3.008 129 L CB -0.983 40.992 42.059 -0.139 0.000 0.828 129 L HN 0.496 nan 8.230 nan 0.000 0.711 130 L N 2.820 123.989 121.223 -0.091 0.000 2.416 130 L HA 0.126 4.465 4.340 -0.002 0.000 0.243 130 L C 0.297 177.049 176.870 -0.196 0.000 1.373 130 L CA 0.662 55.374 54.840 -0.213 0.000 1.227 130 L CB -0.127 41.735 42.059 -0.328 0.000 1.428 130 L HN 0.230 nan 8.230 nan 0.000 0.425 131 Q N 1.039 120.733 119.800 -0.177 0.000 2.353 131 Q HA 0.550 4.889 4.340 -0.002 0.000 0.268 131 Q C -0.153 175.572 176.000 -0.458 0.000 1.045 131 Q CA -0.820 54.742 55.803 -0.403 0.000 0.811 131 Q CB 2.620 30.943 28.738 -0.692 0.000 1.305 131 Q HN 0.468 nan 8.270 nan 0.000 0.447 132 A N 1.036 123.646 122.820 -0.349 0.000 2.567 132 A HA 0.394 4.713 4.320 -0.002 0.000 0.240 132 A C 1.198 178.603 177.584 -0.298 0.000 1.053 132 A CA 1.267 53.142 52.037 -0.270 0.000 0.755 132 A CB -0.607 18.269 19.000 -0.206 0.000 0.978 132 A HN 1.065 nan 8.150 nan 0.000 0.507 133 G N 0.847 109.542 108.800 -0.176 0.000 2.284 133 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.216 133 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.216 133 G C 0.066 175.004 174.900 0.064 0.000 1.009 133 G CA 0.142 45.189 45.100 -0.089 0.000 0.625 133 G HN 0.724 nan 8.290 nan 0.000 0.501 134 Y N 2.031 122.294 120.300 -0.062 0.000 2.346 134 Y HA 0.571 5.120 4.550 -0.002 0.000 0.330 134 Y C 1.139 177.023 175.900 -0.026 0.000 1.178 134 Y CA -0.908 57.162 58.100 -0.050 0.000 1.331 134 Y CB 0.672 39.089 38.460 -0.070 0.000 1.253 134 Y HN 0.098 nan 8.280 nan 0.000 0.529 135 K N 1.562 122.045 120.400 0.139 0.000 2.143 135 K HA 0.629 4.948 4.320 -0.002 0.000 0.272 135 K C 0.267 176.890 176.600 0.039 0.000 1.001 135 K CA -0.539 55.791 56.287 0.071 0.000 0.915 135 K CB 1.329 33.852 32.500 0.038 0.000 1.047 135 K HN 0.859 nan 8.250 nan 0.000 0.458 136 G N 1.204 109.987 108.800 -0.029 0.000 2.600 136 G HA2 0.524 4.483 3.960 -0.002 0.000 0.303 136 G HA3 0.524 4.483 3.960 -0.002 0.000 0.303 136 G C -1.352 173.176 174.900 -0.620 0.000 1.253 136 G CA -0.657 44.134 45.100 -0.515 0.000 0.974 136 G HN 0.527 nan 8.290 nan 0.000 0.483 137 R N -0.318 119.764 120.500 -0.696 0.000 2.599 137 R HA 0.648 4.987 4.340 -0.002 0.000 0.295 137 R C -1.444 174.636 176.300 -0.368 0.000 0.963 137 R CA -0.455 55.434 56.100 -0.350 0.000 0.883 137 R CB 2.094 32.342 30.300 -0.087 0.000 1.171 137 R HN 0.341 nan 8.270 nan 0.000 0.450 138 V N 2.550 122.367 119.914 -0.163 0.000 2.628 138 V HA 0.572 4.691 4.120 -0.002 0.000 0.306 138 V C -0.288 175.791 176.094 -0.025 0.000 1.045 138 V CA -0.735 61.556 62.300 -0.014 0.000 0.905 138 V CB 1.909 33.826 31.823 0.158 0.000 0.997 138 V HN 1.006 nan 8.190 nan 0.000 0.436 139 T N 0.070 114.607 114.554 -0.028 0.000 2.906 139 T HA 0.963 5.312 4.350 -0.002 0.000 0.295 139 T C -0.178 174.413 174.700 -0.182 0.000 1.061 139 T CA -0.294 61.723 62.100 -0.138 0.000 1.000 139 T CB 2.108 70.849 68.868 -0.211 0.000 1.103 139 T HN 1.522 nan 8.240 nan 0.000 0.486 140 G N -0.226 108.368 108.800 -0.342 0.000 2.322 140 G HA2 0.402 4.361 3.960 -0.002 0.000 0.295 140 G HA3 0.402 4.361 3.960 -0.002 0.000 0.295 140 G C -1.372 173.277 174.900 -0.419 0.000 1.369 140 G CA -0.846 44.036 45.100 -0.363 0.000 0.821 140 G HN 0.663 nan 8.290 nan 0.000 0.536 141 W N 1.017 122.331 121.300 0.025 0.000 2.966 141 W HA 0.396 5.055 4.660 -0.002 0.000 0.406 141 W C 1.054 177.589 176.519 0.026 0.000 1.027 141 W CA -0.174 57.177 57.345 0.009 0.000 1.930 141 W CB 0.831 30.299 29.460 0.013 0.000 1.144 141 W HN 0.815 nan 8.180 nan 0.000 0.626 142 G N 1.450 110.368 108.800 0.196 0.000 2.653 142 G HA2 0.012 3.971 3.960 -0.002 0.000 0.265 142 G HA3 0.012 3.971 3.960 -0.002 0.000 0.265 142 G C 0.323 175.291 174.900 0.112 0.000 1.237 142 G CA -0.485 44.712 45.100 0.162 0.000 0.946 142 G HN -0.104 nan 8.290 nan 0.000 0.522 143 N N -0.554 118.222 118.700 0.125 0.000 2.353 143 N HA -0.030 4.709 4.740 -0.002 0.000 0.248 143 N C 1.249 176.782 175.510 0.037 0.000 1.240 143 N CA 0.016 53.122 53.050 0.093 0.000 0.862 143 N CB 1.035 39.678 38.487 0.261 0.000 1.086 143 N HN 0.333 nan 8.380 nan 0.000 0.453 144 L N 0.542 121.721 121.223 -0.073 0.000 2.558 144 L HA 0.144 4.483 4.340 -0.002 0.000 0.225 144 L C 0.494 177.359 176.870 -0.007 0.000 1.128 144 L CA 0.756 55.558 54.840 -0.064 0.000 0.868 144 L CB -0.011 41.962 42.059 -0.144 0.000 1.006 144 L HN 0.360 nan 8.230 nan 0.000 0.454 145 K N -0.681 119.759 120.400 0.067 0.000 2.546 145 K HA 0.098 4.417 4.320 -0.002 0.000 0.264 145 K C 0.230 177.026 176.600 0.326 0.000 0.937 145 K CA -0.412 55.989 56.287 0.191 0.000 0.833 145 K CB 2.609 35.251 32.500 0.235 0.000 1.378 145 K HN -0.208 nan 8.250 nan 0.000 0.432 146 E N 0.633 120.971 120.200 0.229 0.000 2.110 146 E HA -0.110 4.239 4.350 -0.002 0.000 0.193 146 E C -0.061 176.660 176.600 0.201 0.000 0.988 146 E CA 1.287 57.803 56.400 0.194 0.000 0.804 146 E CB 0.399 30.171 29.700 0.118 0.000 0.745 146 E HN 0.418 nan 8.360 nan 0.000 0.458 147 T N -1.826 112.868 114.554 0.232 0.000 2.843 147 T HA 0.486 4.835 4.350 -0.002 0.000 0.302 147 T C -1.831 173.038 174.700 0.283 0.000 1.232 147 T CA -0.276 61.876 62.100 0.087 0.000 1.009 147 T CB 1.082 69.938 68.868 -0.020 0.000 1.254 147 T HN 0.438 nan 8.240 nan 0.000 0.504 148 W N -0.097 121.216 121.300 0.021 0.000 4.126 148 W HA 0.501 5.160 4.660 -0.001 0.000 0.348 148 W C -1.067 175.463 176.519 0.017 0.000 3.319 148 W CA -0.440 56.917 57.345 0.019 0.000 1.324 148 W CB -0.256 29.217 29.460 0.022 0.000 1.883 148 W HN 0.457 nan 8.180 nan 0.000 0.473 149 K N 2.064 122.369 120.400 -0.159 0.000 2.366 149 K HA 0.329 4.648 4.320 -0.002 0.000 0.279 149 K C 0.974 177.266 176.600 -0.514 0.000 1.098 149 K CA 0.671 56.838 56.287 -0.199 0.000 1.087 149 K CB -0.022 32.419 32.500 -0.099 0.000 0.901 149 K HN 0.709 nan 8.250 nan 0.000 0.463 150 G N 2.452 110.685 108.800 -0.946 0.000 2.501 150 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.220 150 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.220 150 G C 0.334 174.812 174.900 -0.704 0.000 1.114 150 G CA 0.652 44.691 45.100 -1.769 0.000 0.757 150 G HN 0.611 nan 8.290 nan 0.000 0.559 151 Q N 0.309 119.918 119.800 -0.318 0.000 2.266 151 Q HA 0.472 4.811 4.340 -0.002 0.000 0.261 151 Q C -2.376 173.574 176.000 -0.083 0.000 0.985 151 Q CA -2.055 53.676 55.803 -0.120 0.000 0.873 151 Q CB 2.148 30.886 28.738 -0.001 0.000 1.306 151 Q HN 0.041 nan 8.270 nan 0.000 0.447 152 P HA 0.173 nan 4.420 nan 0.000 0.276 152 P C -0.426 176.896 177.300 0.036 0.000 1.261 152 P CA -0.356 62.742 63.100 -0.002 0.000 0.800 152 P CB 1.113 32.823 31.700 0.017 0.000 1.066 153 S N -0.855 114.854 115.700 0.015 0.000 2.456 153 S HA 0.111 4.580 4.470 -0.002 0.000 0.224 153 S C 1.042 175.657 174.600 0.025 0.000 1.035 153 S CA 0.308 58.517 58.200 0.014 0.000 0.940 153 S CB -0.314 62.883 63.200 -0.004 0.000 0.799 153 S HN 0.556 nan 8.310 nan 0.000 0.508 154 V N -0.621 119.290 119.914 -0.006 0.000 3.126 154 V HA 0.695 4.814 4.120 -0.002 0.000 0.314 154 V C -0.350 175.695 176.094 -0.082 0.000 1.138 154 V CA -1.632 60.598 62.300 -0.117 0.000 1.034 154 V CB 1.143 32.737 31.823 -0.382 0.000 1.075 154 V HN 0.159 nan 8.190 nan 0.000 0.442 155 L N 2.513 123.603 121.223 -0.222 0.000 2.578 155 L HA 0.250 4.589 4.340 -0.002 0.000 0.279 155 L C 0.222 176.870 176.870 -0.369 0.000 1.227 155 L CA 1.173 55.662 54.840 -0.584 0.000 0.900 155 L CB -0.016 41.689 42.059 -0.589 0.000 1.144 155 L HN 0.826 nan 8.230 nan 0.000 0.496 156 Q N 3.832 123.418 119.800 -0.356 0.000 2.235 156 Q HA 0.585 4.924 4.340 -0.002 0.000 0.256 156 Q C -1.040 174.851 176.000 -0.181 0.000 0.951 156 Q CA -0.472 55.214 55.803 -0.195 0.000 0.890 156 Q CB 2.240 30.906 28.738 -0.120 0.000 1.279 156 Q HN 0.580 nan 8.270 nan 0.000 0.444 157 V N 1.402 121.250 119.914 -0.110 0.000 2.841 157 V HA 0.780 4.899 4.120 -0.002 0.000 0.310 157 V C -1.519 174.554 176.094 -0.034 0.000 1.090 157 V CA -0.642 61.606 62.300 -0.088 0.000 0.930 157 V CB 2.241 34.004 31.823 -0.099 0.000 1.014 157 V HN 0.527 nan 8.190 nan 0.000 0.425 158 V N 5.716 125.620 119.914 -0.016 0.000 2.888 158 V HA 0.693 4.812 4.120 -0.002 0.000 0.309 158 V C -1.379 174.724 176.094 0.015 0.000 1.114 158 V CA -0.647 61.670 62.300 0.028 0.000 0.940 158 V CB 2.715 34.577 31.823 0.065 0.000 1.021 158 V HN 0.998 nan 8.190 nan 0.000 0.426 159 N N 6.038 124.770 118.700 0.054 0.000 2.476 159 N HA 0.643 5.382 4.740 -0.002 0.000 0.257 159 N C -1.130 174.412 175.510 0.054 0.000 0.970 159 N CA -0.145 52.923 53.050 0.030 0.000 0.938 159 N CB 1.613 40.137 38.487 0.062 0.000 1.144 159 N HN 0.568 nan 8.380 nan 0.000 0.500 160 L N 2.566 123.773 121.223 -0.027 0.000 2.333 160 L HA 0.689 5.028 4.340 -0.002 0.000 0.269 160 L C -2.272 174.532 176.870 -0.110 0.000 1.010 160 L CA -1.977 52.781 54.840 -0.136 0.000 0.818 160 L CB 2.556 44.623 42.059 0.014 0.000 1.306 160 L HN 0.231 nan 8.230 nan 0.000 0.430 161 P HA 0.367 nan 4.420 nan 0.000 0.285 161 P C -0.802 176.446 177.300 -0.086 0.000 1.269 161 P CA -0.483 62.535 63.100 -0.137 0.000 0.844 161 P CB 1.232 32.806 31.700 -0.211 0.000 1.094 162 I N 1.028 121.567 120.570 -0.052 0.000 2.474 162 I HA 0.163 4.332 4.170 -0.002 0.000 0.287 162 I C 0.378 176.391 176.117 -0.173 0.000 1.048 162 I CA -0.556 60.674 61.300 -0.117 0.000 1.383 162 I CB 0.857 38.761 38.000 -0.159 0.000 1.412 162 I HN -0.028 nan 8.210 nan 0.000 0.531 163 V N 5.644 125.421 119.914 -0.228 0.000 2.532 163 V HA 0.157 4.276 4.120 -0.002 0.000 0.295 163 V C -0.091 175.863 176.094 -0.233 0.000 1.041 163 V CA -0.839 61.282 62.300 -0.299 0.000 0.926 163 V CB 1.616 33.094 31.823 -0.574 0.000 0.992 163 V HN 0.654 nan 8.190 nan 0.000 0.457 164 E N 3.605 123.689 120.200 -0.193 0.000 2.529 164 E HA 0.038 4.387 4.350 -0.002 0.000 0.259 164 E C 1.170 177.708 176.600 -0.104 0.000 0.966 164 E CA 0.205 56.526 56.400 -0.132 0.000 0.937 164 E CB 0.154 29.793 29.700 -0.102 0.000 0.923 164 E HN 0.381 nan 8.360 nan 0.000 0.468 165 R N 4.076 124.543 120.500 -0.055 0.000 2.134 165 R HA -0.194 4.145 4.340 -0.002 0.000 0.248 165 R C -0.796 175.515 176.300 0.017 0.000 1.143 165 R CA 1.886 57.986 56.100 0.001 0.000 0.957 165 R CB -1.502 28.819 30.300 0.034 0.000 0.867 165 R HN 0.520 nan 8.270 nan 0.000 0.441 166 P HA -0.110 nan 4.420 nan 0.000 0.214 166 P C 1.643 178.958 177.300 0.025 0.000 1.163 166 P CA 1.148 64.260 63.100 0.020 0.000 0.883 166 P CB -0.181 31.523 31.700 0.007 0.000 0.788 167 V N -0.159 119.745 119.914 -0.017 0.000 2.392 167 V HA -0.289 3.830 4.120 -0.002 0.000 0.249 167 V C 2.711 178.804 176.094 -0.001 0.000 1.059 167 V CA 2.077 64.363 62.300 -0.024 0.000 1.051 167 V CB -1.632 30.123 31.823 -0.113 0.000 0.658 167 V HN 0.187 nan 8.190 nan 0.000 0.455 168 c N 0.067 118.646 118.600 -0.035 0.000 2.453 168 c HA -0.085 4.484 4.570 -0.002 0.000 0.277 168 c C 3.202 177.472 174.090 0.299 0.000 1.262 168 c CA 1.221 57.603 56.329 0.088 0.000 1.718 168 c CB -1.266 41.274 42.510 0.050 0.000 2.031 168 c HN 0.664 nan 8.230 nan 0.000 0.480 169 K N 0.664 121.188 120.400 0.207 0.000 2.063 169 K HA -0.207 4.112 4.320 -0.002 0.000 0.208 169 K C 1.374 178.074 176.600 0.166 0.000 1.048 169 K CA 2.188 58.587 56.287 0.186 0.000 0.928 169 K CB -0.957 31.616 32.500 0.121 0.000 0.713 169 K HN 0.557 nan 8.250 nan 0.000 0.442 170 D N 0.183 120.670 120.400 0.146 0.000 2.352 170 D HA -0.033 4.606 4.640 -0.002 0.000 0.232 170 D C 1.402 177.804 176.300 0.171 0.000 1.055 170 D CA 1.336 55.416 54.000 0.132 0.000 0.891 170 D CB 0.287 41.149 40.800 0.104 0.000 0.897 170 D HN 0.606 nan 8.370 nan 0.000 0.529 171 S N -1.470 114.377 115.700 0.246 0.000 2.539 171 S HA 0.140 4.609 4.470 -0.002 0.000 0.221 171 S C 0.685 175.441 174.600 0.260 0.000 0.987 171 S CA -0.320 58.047 58.200 0.278 0.000 0.929 171 S CB 0.611 64.064 63.200 0.423 0.000 0.832 171 S HN -0.085 nan 8.310 nan 0.000 0.492 172 T N 0.398 115.089 114.554 0.227 0.000 2.883 172 T HA 0.685 5.034 4.350 -0.002 0.000 0.301 172 T C 0.700 175.450 174.700 0.083 0.000 1.158 172 T CA -0.477 61.727 62.100 0.172 0.000 1.007 172 T CB 1.842 70.833 68.868 0.205 0.000 1.186 172 T HN 0.154 nan 8.240 nan 0.000 0.499 173 R N 0.555 121.073 120.500 0.030 0.000 2.300 173 R HA 0.434 4.773 4.340 -0.002 0.000 0.199 173 R C 0.900 177.168 176.300 -0.052 0.000 0.920 173 R CA 0.280 56.377 56.100 -0.005 0.000 1.046 173 R CB -0.744 29.547 30.300 -0.016 0.000 0.984 173 R HN 0.749 nan 8.270 nan 0.000 0.493 174 I N 0.906 121.421 120.570 -0.091 0.000 2.779 174 I HA 0.147 4.316 4.170 -0.002 0.000 0.285 174 I C 0.706 176.751 176.117 -0.119 0.000 1.134 174 I CA -0.379 60.804 61.300 -0.195 0.000 1.398 174 I CB 1.220 38.948 38.000 -0.452 0.000 1.404 174 I HN 0.249 nan 8.210 nan 0.000 0.587 175 R N 6.682 127.100 120.500 -0.135 0.000 2.296 175 R HA 0.305 4.644 4.340 -0.002 0.000 0.327 175 R C -0.202 176.073 176.300 -0.042 0.000 1.137 175 R CA -0.414 55.644 56.100 -0.070 0.000 1.020 175 R CB 0.006 30.262 30.300 -0.073 0.000 1.110 175 R HN 0.581 nan 8.270 nan 0.000 0.499 176 I N 1.202 121.784 120.570 0.020 0.000 2.581 176 I HA 0.344 4.513 4.170 -0.002 0.000 0.288 176 I C 0.241 176.418 176.117 0.100 0.000 1.047 176 I CA -0.434 60.922 61.300 0.094 0.000 1.374 176 I CB 1.580 39.689 38.000 0.181 0.000 1.423 176 I HN 0.471 nan 8.210 nan 0.000 0.549 177 T N 0.438 115.067 114.554 0.125 0.000 2.870 177 T HA 0.344 4.693 4.350 -0.002 0.000 0.277 177 T C 0.409 175.184 174.700 0.125 0.000 1.000 177 T CA -0.501 61.657 62.100 0.096 0.000 0.982 177 T CB 1.476 70.382 68.868 0.064 0.000 1.249 177 T HN 0.636 nan 8.240 nan 0.000 0.589 178 D N 0.333 120.781 120.400 0.080 0.000 2.363 178 D HA 0.111 4.750 4.640 -0.002 0.000 0.226 178 D C 0.769 177.101 176.300 0.055 0.000 1.020 178 D CA 0.313 54.350 54.000 0.062 0.000 0.892 178 D CB -0.147 40.657 40.800 0.007 0.000 0.900 178 D HN 0.400 nan 8.370 nan 0.000 0.531 179 N N -0.153 118.609 118.700 0.102 0.000 2.268 179 N HA 0.142 4.880 4.740 -0.002 0.000 0.204 179 N C 0.054 175.728 175.510 0.274 0.000 1.124 179 N CA 0.192 53.326 53.050 0.141 0.000 0.838 179 N CB 0.544 39.074 38.487 0.071 0.000 0.994 179 N HN 0.258 nan 8.380 nan 0.000 0.489 180 M N -0.094 119.699 119.600 0.322 0.000 2.631 180 M HA 0.510 4.989 4.480 -0.002 0.000 0.288 180 M C -1.247 175.297 176.300 0.407 0.000 1.260 180 M CA -1.079 54.418 55.300 0.329 0.000 0.842 180 M CB 2.656 35.475 32.600 0.364 0.000 1.743 180 M HN -0.055 nan 8.290 nan 0.000 0.461 181 F N -0.125 119.915 119.950 0.150 0.000 2.668 181 F HA 0.851 5.377 4.527 -0.001 0.000 0.309 181 F C -1.291 174.360 175.800 -0.248 0.000 1.117 181 F CA -1.436 56.542 58.000 -0.037 0.000 0.951 181 F CB 0.877 39.797 39.000 -0.133 0.000 1.323 181 F HN 0.884 nan 8.300 nan 0.000 0.451 182 c N 1.982 120.432 118.600 -0.250 0.000 2.779 182 c HA 1.037 5.606 4.570 -0.002 0.000 0.314 182 c C -0.623 173.283 174.090 -0.307 0.000 1.231 182 c CA 0.011 55.968 56.329 -0.620 0.000 1.652 182 c CB 0.770 42.534 42.510 -1.244 0.000 2.198 182 c HN 1.693 nan 8.230 nan 0.000 0.483 183 A N 1.588 124.272 122.820 -0.227 0.000 2.520 183 A HA 0.745 5.064 4.320 -0.002 0.000 0.298 183 A C -1.486 176.132 177.584 0.056 0.000 1.051 183 A CA -0.483 51.486 52.037 -0.114 0.000 0.690 183 A CB 0.640 19.562 19.000 -0.130 0.000 1.281 183 A HN 0.913 nan 8.150 nan 0.000 0.402 184 Y N 0.882 121.305 120.300 0.205 0.000 2.314 184 Y HA 0.292 4.841 4.550 -0.002 0.000 0.334 184 Y C 1.469 177.513 175.900 0.240 0.000 1.266 184 Y CA 0.333 58.537 58.100 0.174 0.000 1.391 184 Y CB 1.028 39.551 38.460 0.106 0.000 1.306 184 Y HN 0.736 nan 8.280 nan 0.000 0.558 185 K N 0.854 121.481 120.400 0.378 0.000 2.404 185 K HA 0.064 4.383 4.320 -0.002 0.000 0.194 185 K C -0.043 176.669 176.600 0.187 0.000 1.023 185 K CA 0.012 56.480 56.287 0.303 0.000 1.094 185 K CB 0.078 32.723 32.500 0.242 0.000 0.841 185 K HN 0.568 nan 8.250 nan 0.000 0.523 186 K N 0.939 121.165 120.400 -0.291 0.000 2.300 186 K HA -0.270 4.049 4.320 -0.002 0.000 0.503 186 K C -0.342 176.083 176.600 -0.292 0.000 1.696 186 K CA 1.203 57.194 56.287 -0.492 0.000 1.293 186 K CB -0.039 31.794 32.500 -1.111 0.000 1.621 186 K HN 0.192 nan 8.250 nan 0.000 0.827 187 R N -0.694 119.723 120.500 -0.137 0.000 2.855 187 R HA 0.788 5.127 4.340 -0.002 0.000 0.266 187 R C -0.538 175.887 176.300 0.208 0.000 1.034 187 R CA -0.786 55.375 56.100 0.101 0.000 0.944 187 R CB 2.390 32.720 30.300 0.050 0.000 1.219 187 R HN 0.809 nan 8.270 nan 0.000 0.474 188 G N 0.796 109.726 108.800 0.216 0.000 2.351 188 G HA2 0.338 4.297 3.960 -0.002 0.000 0.296 188 G HA3 0.338 4.297 3.960 -0.002 0.000 0.296 188 G C -2.158 172.848 174.900 0.177 0.000 1.685 188 G CA -0.543 44.676 45.100 0.199 0.000 0.936 188 G HN 0.545 nan 8.290 nan 0.000 0.714 189 D N -0.720 119.767 120.400 0.144 0.000 2.755 189 D HA 0.738 5.377 4.640 -0.002 0.000 0.277 189 D C 0.181 176.560 176.300 0.132 0.000 1.261 189 D CA 0.624 54.711 54.000 0.144 0.000 0.759 189 D CB 1.655 42.524 40.800 0.114 0.000 1.279 189 D HN 1.032 nan 8.370 nan 0.000 0.420 190 A N -0.020 122.884 122.820 0.139 0.000 2.239 190 A HA 0.837 5.156 4.320 -0.002 0.000 0.303 190 A C -0.193 177.450 177.584 0.098 0.000 1.114 190 A CA -0.174 51.935 52.037 0.120 0.000 0.871 190 A CB 0.920 19.995 19.000 0.125 0.000 1.201 190 A HN 0.725 nan 8.150 nan 0.000 0.506 191 c N -1.500 117.161 118.600 0.101 0.000 3.272 191 c HA 0.488 5.057 4.570 -0.002 0.000 0.363 191 c C -0.317 173.849 174.090 0.128 0.000 1.514 191 c CA -0.542 55.854 56.329 0.112 0.000 1.185 191 c CB 0.704 43.287 42.510 0.122 0.000 1.716 191 c HN 1.041 nan 8.230 nan 0.000 0.440 192 E N 0.296 120.580 120.200 0.139 0.000 2.608 192 E HA 0.319 4.668 4.350 -0.002 0.000 0.259 192 E C 1.098 177.795 176.600 0.161 0.000 0.951 192 E CA 1.694 58.183 56.400 0.148 0.000 0.945 192 E CB 0.051 29.837 29.700 0.144 0.000 0.916 192 E HN 1.510 nan 8.360 nan 0.000 0.477 193 G N 4.532 113.432 108.800 0.167 0.000 2.234 193 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.235 193 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.235 193 G C 0.655 175.670 174.900 0.191 0.000 0.997 193 G CA 0.280 45.487 45.100 0.178 0.000 0.623 193 G HN 0.655 nan 8.290 nan 0.000 0.514 194 D N 1.104 121.604 120.400 0.166 0.000 2.333 194 D HA 0.205 4.844 4.640 -0.002 0.000 0.208 194 D C 1.483 177.875 176.300 0.152 0.000 0.984 194 D CA 0.798 54.886 54.000 0.147 0.000 0.873 194 D CB 0.030 40.900 40.800 0.117 0.000 0.935 194 D HN 0.392 nan 8.370 nan 0.000 0.521 195 S N -0.430 115.375 115.700 0.174 0.000 2.561 195 S HA 0.253 4.722 4.470 -0.002 0.000 0.294 195 S C 1.632 176.303 174.600 0.118 0.000 1.294 195 S CA 0.862 59.177 58.200 0.193 0.000 1.055 195 S CB 0.774 64.175 63.200 0.335 0.000 0.819 195 S HN 0.477 nan 8.310 nan 0.000 0.503 196 G N 1.887 110.737 108.800 0.083 0.000 2.284 196 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.247 196 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.247 196 G C 0.489 175.472 174.900 0.139 0.000 1.012 196 G CA 0.086 45.229 45.100 0.072 0.000 0.618 196 G HN 1.205 nan 8.290 nan 0.000 0.521 197 G N 1.117 110.011 108.800 0.157 0.000 2.664 197 G HA2 0.480 4.439 3.960 -0.002 0.000 0.242 197 G HA3 0.480 4.439 3.960 -0.002 0.000 0.242 197 G C -2.030 173.002 174.900 0.219 0.000 1.225 197 G CA 0.163 45.367 45.100 0.174 0.000 0.849 197 G HN 0.419 nan 8.290 nan 0.000 0.581 198 P HA 0.293 nan 4.420 nan 0.000 0.292 198 P C -1.236 176.236 177.300 0.287 0.000 1.283 198 P CA -0.718 62.535 63.100 0.256 0.000 0.835 198 P CB 1.427 33.261 31.700 0.222 0.000 1.017 199 F N 5.110 125.171 119.950 0.185 0.000 2.313 199 F HA 0.354 4.880 4.527 -0.002 0.000 0.369 199 F C -0.273 175.606 175.800 0.132 0.000 1.109 199 F CA -0.755 57.317 58.000 0.121 0.000 1.132 199 F CB 0.274 39.262 39.000 -0.021 0.000 1.291 199 F HN 0.135 nan 8.300 nan 0.000 0.496 200 V N 4.362 124.259 119.914 -0.028 0.000 3.096 200 V HA 0.692 4.811 4.120 -0.002 0.000 0.319 200 V C -0.483 175.668 176.094 0.095 0.000 1.082 200 V CA -0.886 61.481 62.300 0.112 0.000 1.022 200 V CB 2.004 33.926 31.823 0.164 0.000 1.103 200 V HN 0.742 nan 8.190 nan 0.000 0.455 201 M N 2.049 121.790 119.600 0.236 0.000 2.484 201 M HA 0.517 4.996 4.480 -0.002 0.000 0.289 201 M C -1.033 175.264 176.300 -0.005 0.000 1.206 201 M CA -0.550 54.820 55.300 0.118 0.000 0.892 201 M CB 2.684 35.322 32.600 0.064 0.000 1.712 201 M HN 0.813 nan 8.290 nan 0.000 0.462 202 K N 1.026 121.200 120.400 -0.377 0.000 2.185 202 K HA 0.480 4.799 4.320 -0.002 0.000 0.269 202 K C -0.043 176.333 176.600 -0.372 0.000 0.987 202 K CA -0.182 55.665 56.287 -0.734 0.000 0.865 202 K CB 1.905 33.614 32.500 -1.319 0.000 1.090 202 K HN 0.743 nan 8.250 nan 0.000 0.450 203 S N 3.231 118.804 115.700 -0.213 0.000 2.371 203 S HA -0.060 4.409 4.470 -0.002 0.000 0.159 203 S C 0.620 175.117 174.600 -0.171 0.000 1.281 203 S CA 1.125 59.242 58.200 -0.137 0.000 2.161 203 S CB -0.223 62.981 63.200 0.008 0.000 0.406 203 S HN 1.019 nan 8.310 nan 0.000 0.374 204 N N 1.156 119.839 118.700 -0.028 0.000 2.560 204 N HA -0.334 4.405 4.740 -0.002 0.000 0.237 204 N C 0.141 175.637 175.510 -0.023 0.000 1.224 204 N CA 2.166 55.215 53.050 -0.003 0.000 0.897 204 N CB -2.225 36.288 38.487 0.043 0.000 1.217 204 N HN 0.728 nan 8.380 nan 0.000 0.596 205 N N -2.109 116.551 118.700 -0.067 0.000 2.878 205 N HA -0.201 4.538 4.740 -0.002 0.000 0.247 205 N C -1.141 174.279 175.510 -0.150 0.000 1.021 205 N CA 1.409 54.392 53.050 -0.112 0.000 0.873 205 N CB -0.696 37.756 38.487 -0.058 0.000 1.128 205 N HN 0.755 nan 8.380 nan 0.000 0.571 206 R N -0.901 119.513 120.500 -0.143 0.000 2.598 206 R HA 0.427 4.766 4.340 -0.002 0.000 0.279 206 R C -0.469 175.606 176.300 -0.375 0.000 0.984 206 R CA -0.524 55.454 56.100 -0.203 0.000 0.999 206 R CB 0.692 30.831 30.300 -0.268 0.000 1.114 206 R HN 0.085 nan 8.270 nan 0.000 0.493 207 W N 1.349 122.465 121.300 -0.307 0.000 2.351 207 W HA 0.301 4.961 4.660 -0.001 0.000 0.311 207 W C -0.505 175.637 176.519 -0.628 0.000 1.168 207 W CA -0.080 57.068 57.345 -0.329 0.000 1.200 207 W CB 0.610 29.859 29.460 -0.352 0.000 1.221 207 W HN 0.398 nan 8.180 nan 0.000 0.519 208 Y N 1.282 121.584 120.300 0.003 0.000 2.409 208 Y HA 0.217 4.766 4.550 -0.002 0.000 0.343 208 Y C 0.112 176.000 175.900 -0.019 0.000 0.973 208 Y CA -1.351 56.721 58.100 -0.045 0.000 1.064 208 Y CB 1.870 40.310 38.460 -0.033 0.000 1.207 208 Y HN 0.319 nan 8.280 nan 0.000 0.452 209 Q N 3.553 123.408 119.800 0.092 0.000 2.361 209 Q HA 0.212 4.551 4.340 -0.002 0.000 0.250 209 Q C -0.059 176.070 176.000 0.215 0.000 1.023 209 Q CA -0.332 55.539 55.803 0.112 0.000 0.915 209 Q CB 0.608 29.365 28.738 0.032 0.000 1.238 209 Q HN 0.754 nan 8.270 nan 0.000 0.451 210 M N 2.060 121.829 119.600 0.281 0.000 2.534 210 M HA 0.315 4.794 4.480 -0.002 0.000 0.263 210 M C 0.713 177.221 176.300 0.348 0.000 1.152 210 M CA 0.517 55.961 55.300 0.240 0.000 1.145 210 M CB 0.207 32.881 32.600 0.122 0.000 1.333 210 M HN 0.579 nan 8.290 nan 0.000 0.477 211 G N 0.376 109.456 108.800 0.467 0.000 2.708 211 G HA2 0.748 4.707 3.960 -0.002 0.000 0.289 211 G HA3 0.748 4.707 3.960 -0.002 0.000 0.289 211 G C -1.465 173.656 174.900 0.368 0.000 1.416 211 G CA -0.615 44.727 45.100 0.404 0.000 0.829 211 G HN 0.117 nan 8.290 nan 0.000 0.480 212 I N 0.366 121.115 120.570 0.297 0.000 2.545 212 I HA 0.284 4.453 4.170 -0.002 0.000 0.292 212 I C -0.081 176.158 176.117 0.204 0.000 1.040 212 I CA -1.126 60.329 61.300 0.258 0.000 1.068 212 I CB 2.401 40.508 38.000 0.179 0.000 1.251 212 I HN 0.120 nan 8.210 nan 0.000 0.424 213 V N 4.873 124.894 119.914 0.180 0.000 2.458 213 V HA -0.024 4.095 4.120 -0.002 0.000 0.287 213 V C 0.818 176.895 176.094 -0.027 0.000 1.009 213 V CA 0.719 62.983 62.300 -0.061 0.000 1.091 213 V CB 0.702 32.559 31.823 0.056 0.000 0.960 213 V HN 0.959 nan 8.190 nan 0.000 0.476 214 S N 5.166 120.749 115.700 -0.196 0.000 2.783 214 S HA 0.366 4.835 4.470 -0.002 0.000 0.205 214 S C 0.017 174.704 174.600 0.144 0.000 0.910 214 S CA -0.062 58.185 58.200 0.079 0.000 0.861 214 S CB 0.471 63.702 63.200 0.052 0.000 0.830 214 S HN 0.868 nan 8.310 nan 0.000 0.630 215 W N -0.039 121.216 121.300 -0.076 0.000 3.042 215 W HA 0.673 5.332 4.660 -0.002 0.000 0.342 215 W C -0.653 175.868 176.519 0.003 0.000 1.240 215 W CA -0.766 56.533 57.345 -0.077 0.000 1.166 215 W CB 0.515 29.913 29.460 -0.103 0.000 1.469 215 W HN 0.553 nan 8.180 nan 0.000 0.579 216 G N 0.528 109.555 108.800 0.380 0.000 2.632 216 G HA2 0.438 4.397 3.960 -0.002 0.000 0.292 216 G HA3 0.438 4.397 3.960 -0.002 0.000 0.292 216 G C -1.896 173.194 174.900 0.316 0.000 1.465 216 G CA -0.843 44.421 45.100 0.274 0.000 0.824 216 G HN 0.503 nan 8.290 nan 0.000 0.509 220 c N 0.729 119.377 118.600 0.079 0.000 3.158 220 c HA 0.789 5.358 4.570 -0.002 0.000 0.228 220 c C 0.213 174.346 174.090 0.072 0.000 2.110 220 c CA -0.472 55.908 56.329 0.084 0.000 1.407 220 c CB -1.369 41.204 42.510 0.105 0.000 2.635 220 c HN 0.587 nan 8.230 nan 0.000 0.509 221 R N 0.279 120.786 120.500 0.011 0.000 3.197 221 R HA 0.158 4.497 4.340 -0.002 0.000 0.261 221 R C -2.178 174.090 176.300 -0.053 0.000 1.015 221 R CA -0.681 55.415 56.100 -0.007 0.000 0.949 221 R CB 0.735 31.036 30.300 0.001 0.000 1.256 221 R HN 0.165 nan 8.270 nan 0.000 0.514 222 D N 0.471 120.847 120.400 -0.039 0.000 2.389 222 D HA 0.266 4.905 4.640 -0.002 0.000 0.247 222 D C 1.279 177.519 176.300 -0.100 0.000 1.128 222 D CA 1.630 55.594 54.000 -0.061 0.000 0.884 222 D CB 1.203 41.993 40.800 -0.017 0.000 1.194 222 D HN 0.767 nan 8.370 nan 0.000 0.441 223 G N 1.593 110.286 108.800 -0.177 0.000 2.143 223 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.248 223 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.248 223 G C 0.235 174.959 174.900 -0.293 0.000 0.991 223 G CA 0.166 45.161 45.100 -0.175 0.000 0.689 223 G HN 0.407 nan 8.290 nan 0.000 0.522 224 K N -0.837 119.263 120.400 -0.500 0.000 2.426 224 K HA 0.716 5.035 4.320 -0.002 0.000 0.251 224 K C -0.935 175.231 176.600 -0.725 0.000 0.941 224 K CA -0.642 55.418 56.287 -0.380 0.000 0.808 224 K CB 1.997 34.441 32.500 -0.092 0.000 1.265 224 K HN 0.178 nan 8.250 nan 0.000 0.432 225 Y N -1.372 118.959 120.300 0.052 0.000 2.634 225 Y HA 0.524 5.073 4.550 -0.002 0.000 0.340 225 Y C 0.797 176.611 175.900 -0.142 0.000 1.058 225 Y CA -1.201 56.855 58.100 -0.074 0.000 1.081 225 Y CB 1.692 40.025 38.460 -0.211 0.000 1.295 225 Y HN 0.668 nan 8.280 nan 0.000 0.487 226 G N 0.474 109.264 108.800 -0.016 0.000 2.377 226 G HA2 0.530 4.489 3.960 -0.002 0.000 0.299 226 G HA3 0.530 4.489 3.960 -0.002 0.000 0.299 226 G C -1.675 172.900 174.900 -0.541 0.000 1.150 226 G CA -0.301 44.690 45.100 -0.182 0.000 0.847 226 G HN 0.316 nan 8.290 nan 0.000 0.501 227 F N 0.580 120.026 119.950 -0.841 0.000 2.436 227 F HA 0.516 5.042 4.527 -0.002 0.000 0.340 227 F C -0.435 174.762 175.800 -1.004 0.000 1.113 227 F CA -0.377 57.057 58.000 -0.943 0.000 1.022 227 F CB 1.864 39.882 39.000 -1.637 0.000 1.128 227 F HN 0.305 nan 8.300 nan 0.000 0.466 228 Y N 0.335 120.248 120.300 -0.645 0.000 2.485 228 Y HA 0.411 4.960 4.550 -0.001 0.000 0.345 228 Y C 0.343 175.985 175.900 -0.430 0.000 0.998 228 Y CA -1.335 56.378 58.100 -0.644 0.000 1.059 228 Y CB 1.625 39.328 38.460 -1.261 0.000 1.234 228 Y HN 0.394 nan 8.280 nan 0.000 0.461 229 T N 2.626 117.172 114.554 -0.014 0.000 2.870 229 T HA -0.027 4.322 4.350 -0.002 0.000 0.300 229 T C -0.174 174.658 174.700 0.220 0.000 0.989 229 T CA -0.134 62.040 62.100 0.123 0.000 1.139 229 T CB -0.174 68.783 68.868 0.149 0.000 0.920 229 T HN 0.453 nan 8.240 nan 0.000 0.537 230 H N 4.658 123.868 119.070 0.234 0.000 3.205 230 H HA 0.134 4.689 4.556 -0.002 0.000 0.262 230 H C 1.119 176.605 175.328 0.264 0.000 1.333 230 H CA -0.422 55.836 56.048 0.350 0.000 1.499 230 H CB -0.133 29.811 29.762 0.304 0.000 1.609 230 H HN 0.389 nan 8.280 nan 0.000 0.498 231 V N 5.792 125.929 119.914 0.371 0.000 2.324 231 V HA -0.309 3.810 4.120 -0.002 0.000 0.250 231 V C 2.211 178.504 176.094 0.332 0.000 1.060 231 V CA 1.928 64.416 62.300 0.313 0.000 1.042 231 V CB -0.900 31.080 31.823 0.260 0.000 0.650 231 V HN 0.581 nan 8.190 nan 0.000 0.450 232 F N 1.410 121.557 119.950 0.329 0.000 2.095 232 F HA -0.207 4.319 4.527 -0.002 0.000 0.298 232 F C 2.665 178.586 175.800 0.202 0.000 1.104 232 F CA 1.838 59.993 58.000 0.260 0.000 1.232 232 F CB -0.284 38.867 39.000 0.251 0.000 0.987 232 F HN 0.022 nan 8.300 nan 0.000 0.475 233 R N 0.290 120.905 120.500 0.192 0.000 2.096 233 R HA -0.113 4.226 4.340 -0.002 0.000 0.235 233 R C 2.030 178.291 176.300 -0.065 0.000 1.127 233 R CA 1.609 57.673 56.100 -0.059 0.000 0.968 233 R CB -1.029 29.209 30.300 -0.104 0.000 0.861 233 R HN 0.371 nan 8.270 nan 0.000 0.440 234 L N 1.211 122.456 121.223 0.036 0.000 2.610 234 L HA 0.051 4.390 4.340 -0.002 0.000 0.232 234 L C 2.356 179.303 176.870 0.129 0.000 1.149 234 L CA 0.331 55.224 54.840 0.087 0.000 0.872 234 L CB -0.286 41.834 42.059 0.102 0.000 0.992 234 L HN 0.111 nan 8.230 nan 0.000 0.447 235 K N 0.627 121.003 120.400 -0.040 0.000 2.152 235 K HA -0.192 4.127 4.320 -0.002 0.000 0.206 235 K C 1.992 178.560 176.600 -0.055 0.000 1.048 235 K CA 1.119 57.354 56.287 -0.086 0.000 0.933 235 K CB 0.205 32.549 32.500 -0.259 0.000 0.721 235 K HN 0.109 nan 8.250 nan 0.000 0.447 236 K N -0.148 120.232 120.400 -0.033 0.000 2.097 236 K HA -0.190 4.129 4.320 -0.002 0.000 0.206 236 K C 1.721 178.357 176.600 0.060 0.000 1.049 236 K CA 1.336 57.624 56.287 0.002 0.000 0.933 236 K CB -0.454 32.059 32.500 0.022 0.000 0.717 236 K HN 0.407 nan 8.250 nan 0.000 0.442 237 W N 1.908 123.199 121.300 -0.016 0.000 2.381 237 W HA -0.080 4.579 4.660 -0.002 0.000 0.301 237 W C 1.735 178.216 176.519 -0.063 0.000 1.205 237 W CA 1.049 58.399 57.345 0.009 0.000 1.285 237 W CB -0.341 29.216 29.460 0.161 0.000 1.133 237 W HN -0.093 nan 8.180 nan 0.000 0.521 238 I N 0.544 121.009 120.570 -0.174 0.000 2.163 238 I HA -0.388 3.781 4.170 -0.002 0.000 0.243 238 I C 2.679 178.483 176.117 -0.522 0.000 1.085 238 I CA 2.082 63.097 61.300 -0.474 0.000 1.347 238 I CB -0.888 37.001 38.000 -0.185 0.000 1.044 238 I HN 0.145 nan 8.210 nan 0.000 0.408 239 Q N 1.475 121.091 119.800 -0.307 0.000 2.061 239 Q HA -0.299 4.040 4.340 -0.002 0.000 0.204 239 Q C 2.311 178.134 176.000 -0.296 0.000 0.984 239 Q CA 2.090 57.738 55.803 -0.258 0.000 0.846 239 Q CB -0.105 28.552 28.738 -0.134 0.000 0.902 239 Q HN 0.339 nan 8.270 nan 0.000 0.421 240 K N -0.403 119.831 120.400 -0.278 0.000 2.057 240 K HA -0.147 4.172 4.320 -0.002 0.000 0.207 240 K C 1.929 178.300 176.600 -0.381 0.000 1.049 240 K CA 1.561 57.698 56.287 -0.250 0.000 0.931 240 K CB -0.024 32.387 32.500 -0.149 0.000 0.714 240 K HN 0.170 nan 8.250 nan 0.000 0.440 241 V N 1.906 121.426 119.914 -0.657 0.000 2.307 241 V HA -0.253 3.866 4.120 -0.002 0.000 0.245 241 V C 2.391 178.021 176.094 -0.774 0.000 1.045 241 V CA 1.697 63.514 62.300 -0.806 0.000 1.024 241 V CB -0.325 30.764 31.823 -1.223 0.000 0.651 241 V HN 0.333 nan 8.190 nan 0.000 0.449 242 I N -0.553 119.479 120.570 -0.896 0.000 2.208 242 I HA -0.232 3.937 4.170 -0.002 0.000 0.245 242 I C 1.052 176.914 176.117 -0.424 0.000 1.097 242 I CA 1.383 62.138 61.300 -0.908 0.000 1.363 242 I CB -0.456 36.949 38.000 -0.992 0.000 1.051 242 I HN 0.410 nan 8.210 nan 0.000 0.413 243 D N 1.341 121.547 120.400 -0.324 0.000 2.697 243 D HA -0.212 4.427 4.640 -0.002 0.000 0.238 243 D C 0.805 176.985 176.300 -0.200 0.000 1.152 243 D CA 0.535 54.425 54.000 -0.183 0.000 0.666 243 D CB -0.605 40.136 40.800 -0.098 0.000 1.037 243 D HN 0.540 nan 8.370 nan 0.000 0.423 244 Q N -1.362 118.216 119.800 -0.370 0.000 2.541 244 Q HA -0.093 4.246 4.340 -0.002 0.000 0.215 244 Q C 0.909 176.443 176.000 -0.777 0.000 0.977 244 Q CA 0.718 56.149 55.803 -0.620 0.000 0.934 244 Q CB 0.139 28.297 28.738 -0.967 0.000 0.988 244 Q HN 0.445 nan 8.270 nan 0.000 0.521 245 F N -1.953 117.983 119.950 -0.024 0.000 2.899 245 F HA 0.371 4.897 4.527 -0.002 0.000 0.337 245 F C 0.694 176.489 175.800 -0.008 0.000 1.129 245 F CA -0.151 57.842 58.000 -0.012 0.000 1.128 245 F CB 1.439 40.430 39.000 -0.016 0.000 1.154 245 F HN -0.084 nan 8.300 nan 0.000 0.531 246 G N 0.000 108.871 108.800 0.119 0.000 5.446 246 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 246 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 246 G CA 0.000 nan 45.100 nan 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925