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 1g65_1_A DATA FIRST_RESID 4 DATA SEQUENCE MTDRYSFSLT TFSPSGKLGQ IDYALTAVKQ GVTSLGIKAT NGVVIATEKK DATA SEQUENCE SSSPLAMSET LSKVSLLTPD IGAVYSGMGP DYRVLVDKSR KVAHTSYKIY DATA SEQUENCE GEYPPTKLLV SEVAKIMQEA TQSGGVRPFG VSLLIAGHDE FNGSLYQVDP DATA SEQUENCE SGSYFPWKAT AIGKGSVAAK TFLEKRWNDE LELEDAIHIA LLTLKESXVE DATA SEQUENCE GEFNGTIELA IIGKGPRFRK LTSQEINDRL EAL 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.309 176.300 0.015 0.000 1.140 4 M CA 0.000 55.309 55.300 0.016 0.000 0.988 4 M CB 0.000 32.606 32.600 0.011 0.000 1.302 5 T N 1.688 116.253 114.554 0.017 0.000 0.541 5 T HA -0.092 4.258 4.350 0.000 0.000 0.774 5 T C -0.934 173.782 174.700 0.028 0.000 0.992 5 T CA 0.099 62.207 62.100 0.014 0.000 4.077 5 T CB -0.550 68.321 68.868 0.006 0.000 2.303 5 T HN 0.810 nan 8.240 nan 0.000 0.398 6 D N 1.795 122.210 120.400 0.024 0.000 2.380 6 D HA 0.053 4.693 4.640 0.000 0.000 0.270 6 D C 1.339 177.654 176.300 0.026 0.000 1.363 6 D CA -0.006 54.022 54.000 0.047 0.000 1.057 6 D CB 0.287 41.092 40.800 0.010 0.000 1.096 6 D HN 0.410 nan 8.370 nan 0.000 0.524 7 R N 2.781 123.299 120.500 0.030 0.000 2.310 7 R HA -0.036 4.304 4.340 0.000 0.000 0.202 7 R C 0.237 176.410 176.300 -0.213 0.000 0.933 7 R CA 0.022 56.082 56.100 -0.068 0.000 1.054 7 R CB 0.166 30.422 30.300 -0.073 0.000 0.985 7 R HN 0.457 nan 8.270 nan 0.000 0.489 8 Y N 1.558 121.682 120.300 -0.293 0.000 2.623 8 Y HA -0.011 4.539 4.550 0.000 0.000 0.341 8 Y C 1.152 176.617 175.900 -0.725 0.000 1.292 8 Y CA -0.252 57.450 58.100 -0.665 0.000 1.840 8 Y CB 0.164 38.372 38.460 -0.419 0.000 1.865 8 Y HN 0.065 nan 8.280 nan 0.000 0.440 9 S N -0.179 115.153 115.700 -0.614 0.000 2.575 9 S HA 0.115 4.585 4.470 0.000 0.000 0.215 9 S C -0.062 174.398 174.600 -0.233 0.000 0.966 9 S CA -0.407 57.606 58.200 -0.312 0.000 0.911 9 S CB -0.719 62.404 63.200 -0.127 0.000 0.780 9 S HN 0.358 nan 8.310 nan 0.000 0.514 10 F N 0.303 120.280 119.950 0.046 0.000 2.483 10 F HA 0.807 5.334 4.527 0.000 0.000 0.329 10 F C 0.240 176.064 175.800 0.041 0.000 1.064 10 F CA -1.906 56.114 58.000 0.033 0.000 0.986 10 F CB 0.092 39.104 39.000 0.020 0.000 1.218 10 F HN -0.249 nan 8.300 nan 0.000 0.484 11 S N 1.079 116.946 115.700 0.279 0.000 2.560 11 S HA 0.216 4.686 4.470 0.000 0.000 0.284 11 S C 0.885 175.627 174.600 0.237 0.000 1.327 11 S CA -0.476 57.824 58.200 0.166 0.000 1.055 11 S CB 0.412 63.664 63.200 0.086 0.000 0.868 11 S HN 0.658 nan 8.310 nan 0.000 0.506 12 L N 1.749 123.055 121.223 0.139 0.000 2.693 12 L HA 0.154 4.494 4.340 0.000 0.000 0.235 12 L C 0.357 177.250 176.870 0.037 0.000 1.127 12 L CA 0.404 55.325 54.840 0.135 0.000 0.914 12 L CB 0.354 42.477 42.059 0.107 0.000 1.193 12 L HN 0.521 nan 8.230 nan 0.000 0.502 13 T N 0.761 115.304 114.554 -0.017 0.000 2.842 13 T HA 0.370 4.720 4.350 0.000 0.000 0.308 13 T C 0.291 174.901 174.700 -0.151 0.000 1.041 13 T CA -0.306 61.734 62.100 -0.099 0.000 0.964 13 T CB 1.504 70.296 68.868 -0.127 0.000 0.972 13 T HN 0.191 nan 8.240 nan 0.000 0.460 14 T N 0.158 114.620 114.554 -0.153 0.000 2.844 14 T HA 0.793 5.143 4.350 0.000 0.000 0.274 14 T C -0.494 174.044 174.700 -0.270 0.000 0.991 14 T CA -0.810 61.196 62.100 -0.158 0.000 0.983 14 T CB 0.713 69.568 68.868 -0.021 0.000 1.310 14 T HN 0.201 nan 8.240 nan 0.000 0.596 15 F N 1.678 121.624 119.950 -0.007 0.000 2.421 15 F HA 0.554 5.081 4.527 0.000 0.000 0.337 15 F C 1.166 176.959 175.800 -0.012 0.000 1.105 15 F CA -0.592 57.401 58.000 -0.012 0.000 1.049 15 F CB 1.726 40.723 39.000 -0.005 0.000 1.139 15 F HN 0.814 nan 8.300 nan 0.000 0.479 16 S N 2.292 118.094 115.700 0.169 0.000 2.646 16 S HA 0.412 4.882 4.470 0.000 0.000 0.276 16 S C -2.121 172.542 174.600 0.104 0.000 1.222 16 S CA -1.313 56.945 58.200 0.097 0.000 1.014 16 S CB 1.472 64.706 63.200 0.055 0.000 0.991 16 S HN 0.385 nan 8.310 nan 0.000 0.533 17 P HA -0.029 nan 4.420 nan 0.000 0.226 17 P C 0.819 178.143 177.300 0.041 0.000 1.146 17 P CA 0.890 64.018 63.100 0.047 0.000 0.773 17 P CB -0.122 31.598 31.700 0.034 0.000 0.772 18 S N -3.006 112.725 115.700 0.052 0.000 2.540 18 S HA 0.398 4.868 4.470 0.000 0.000 0.218 18 S C 1.525 176.158 174.600 0.056 0.000 0.977 18 S CA 0.191 58.418 58.200 0.045 0.000 0.918 18 S CB -0.477 62.749 63.200 0.044 0.000 0.806 18 S HN 0.245 nan 8.310 nan 0.000 0.496 19 G N 1.159 110.012 108.800 0.087 0.000 2.141 19 G HA2 -0.203 3.757 3.960 0.000 0.000 0.242 19 G HA3 -0.203 3.757 3.960 0.000 0.000 0.242 19 G C -0.130 174.889 174.900 0.198 0.000 0.982 19 G CA -0.122 45.056 45.100 0.130 0.000 0.662 19 G HN 0.376 nan 8.290 nan 0.000 0.527 20 K N -0.020 120.464 120.400 0.140 0.000 2.138 20 K HA 0.619 4.939 4.320 0.000 0.000 0.263 20 K C 0.404 177.008 176.600 0.006 0.000 0.965 20 K CA -0.816 55.514 56.287 0.073 0.000 0.868 20 K CB 1.313 33.827 32.500 0.022 0.000 1.083 20 K HN 0.196 nan 8.250 nan 0.000 0.443 21 L N 3.141 124.316 121.223 -0.081 0.000 2.315 21 L HA 0.182 4.522 4.340 0.000 0.000 0.278 21 L C 1.664 178.372 176.870 -0.271 0.000 1.088 21 L CA -0.316 54.390 54.840 -0.224 0.000 0.899 21 L CB 0.853 42.757 42.059 -0.258 0.000 1.277 21 L HN 0.876 nan 8.230 nan 0.000 0.431 22 G N 1.682 110.278 108.800 -0.340 0.000 2.672 22 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 22 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 22 G C 1.222 175.550 174.900 -0.954 0.000 1.238 22 G CA 0.512 45.192 45.100 -0.700 0.000 0.791 22 G HN 0.604 nan 8.290 nan 0.000 0.606 23 Q N 0.163 119.660 119.800 -0.505 0.000 2.248 23 Q HA -0.092 4.248 4.340 0.000 0.000 0.208 23 Q C 2.709 178.618 176.000 -0.152 0.000 0.984 23 Q CA 1.027 56.687 55.803 -0.238 0.000 0.875 23 Q CB -0.291 28.391 28.738 -0.093 0.000 0.910 23 Q HN 0.666 nan 8.270 nan 0.000 0.433 24 I N 0.697 121.162 120.570 -0.176 0.000 2.233 24 I HA -0.226 3.944 4.170 0.000 0.000 0.243 24 I C 1.745 177.844 176.117 -0.030 0.000 1.093 24 I CA 0.973 62.232 61.300 -0.068 0.000 1.380 24 I CB -0.318 37.646 38.000 -0.059 0.000 1.067 24 I HN 0.086 nan 8.210 nan 0.000 0.413 25 D N 0.492 120.830 120.400 -0.103 0.000 2.123 25 D HA -0.199 4.441 4.640 0.000 0.000 0.196 25 D C 2.154 178.559 176.300 0.175 0.000 0.992 25 D CA 1.539 55.547 54.000 0.013 0.000 0.833 25 D CB -0.244 40.546 40.800 -0.017 0.000 0.954 25 D HN 0.300 nan 8.370 nan 0.000 0.455 26 Y N 1.400 121.718 120.300 0.030 0.000 2.145 26 Y HA -0.095 4.455 4.550 0.000 0.000 0.286 26 Y C 2.671 178.593 175.900 0.038 0.000 1.145 26 Y CA 0.187 58.304 58.100 0.029 0.000 1.148 26 Y CB -1.403 37.069 38.460 0.020 0.000 0.981 26 Y HN -0.089 nan 8.280 nan 0.000 0.507 27 A N 0.261 123.201 122.820 0.201 0.000 1.917 27 A HA -0.185 4.135 4.320 0.000 0.000 0.219 27 A C 2.430 180.096 177.584 0.136 0.000 1.182 27 A CA 1.678 53.803 52.037 0.146 0.000 0.633 27 A CB -1.251 17.822 19.000 0.123 0.000 0.819 27 A HN 0.476 nan 8.150 nan 0.000 0.448 28 L N -0.779 120.523 121.223 0.131 0.000 2.131 28 L HA -0.174 4.167 4.340 0.000 0.000 0.210 28 L C 2.762 179.695 176.870 0.104 0.000 1.092 28 L CA 1.694 56.605 54.840 0.118 0.000 0.759 28 L CB -0.566 41.560 42.059 0.112 0.000 0.903 28 L HN 0.390 nan 8.230 nan 0.000 0.435 29 T N -0.477 114.147 114.554 0.117 0.000 2.737 29 T HA -0.157 4.194 4.350 0.000 0.000 0.265 29 T C 2.008 176.747 174.700 0.065 0.000 1.038 29 T CA 1.226 63.377 62.100 0.085 0.000 1.144 29 T CB -0.231 68.685 68.868 0.080 0.000 0.866 29 T HN 0.461 nan 8.240 nan 0.000 0.434 30 A N 1.163 124.030 122.820 0.078 0.000 1.917 30 A HA -0.117 4.203 4.320 0.000 0.000 0.219 30 A C 2.568 180.189 177.584 0.061 0.000 1.182 30 A CA 1.710 53.787 52.037 0.067 0.000 0.633 30 A CB -1.153 17.898 19.000 0.086 0.000 0.819 30 A HN 0.373 nan 8.150 nan 0.000 0.448 31 V N 0.285 120.244 119.914 0.075 0.000 2.295 31 V HA -0.275 3.845 4.120 0.000 0.000 0.246 31 V C 2.517 178.626 176.094 0.026 0.000 1.049 31 V CA 2.196 64.532 62.300 0.060 0.000 1.024 31 V CB -0.678 31.195 31.823 0.082 0.000 0.648 31 V HN 0.466 nan 8.190 nan 0.000 0.447 32 K N 0.048 120.466 120.400 0.031 0.000 2.074 32 K HA -0.199 4.121 4.320 0.000 0.000 0.209 32 K C 2.162 178.761 176.600 -0.002 0.000 1.048 32 K CA 1.374 57.669 56.287 0.013 0.000 0.926 32 K CB -0.308 32.205 32.500 0.021 0.000 0.713 32 K HN 0.526 nan 8.250 nan 0.000 0.444 33 Q N -0.305 119.497 119.800 0.004 0.000 2.436 33 Q HA -0.003 4.337 4.340 0.000 0.000 0.209 33 Q C 1.096 177.085 176.000 -0.019 0.000 0.965 33 Q CA 0.474 56.274 55.803 -0.005 0.000 0.910 33 Q CB -0.249 28.491 28.738 0.004 0.000 0.980 33 Q HN 0.183 nan 8.270 nan 0.000 0.491 34 G N 0.401 109.182 108.800 -0.032 0.000 2.504 34 G HA2 0.386 4.346 3.960 0.000 0.000 0.288 34 G HA3 0.386 4.346 3.960 0.000 0.000 0.288 34 G C -0.084 174.755 174.900 -0.102 0.000 1.182 34 G CA -0.602 44.455 45.100 -0.071 0.000 0.894 34 G HN -0.004 nan 8.290 nan 0.000 0.521 35 V N 0.392 120.226 119.914 -0.133 0.000 3.061 35 V HA 0.033 4.153 4.120 0.000 0.000 0.306 35 V C 1.200 177.205 176.094 -0.149 0.000 1.118 35 V CA 0.123 62.346 62.300 -0.127 0.000 1.231 35 V CB 0.636 32.379 31.823 -0.134 0.000 0.956 35 V HN 0.791 nan 8.190 nan 0.000 0.499 36 T N 3.808 118.303 114.554 -0.099 0.000 2.918 36 T HA 0.437 4.787 4.350 0.000 0.000 0.302 36 T C 0.127 174.765 174.700 -0.102 0.000 1.045 36 T CA -0.098 61.949 62.100 -0.088 0.000 1.114 36 T CB 0.748 69.588 68.868 -0.047 0.000 0.965 36 T HN 1.056 nan 8.240 nan 0.000 0.540 37 S N 1.618 117.259 115.700 -0.099 0.000 2.541 37 S HA 0.776 5.246 4.470 0.000 0.000 0.271 37 S C -1.108 173.454 174.600 -0.063 0.000 1.133 37 S CA -1.134 57.016 58.200 -0.082 0.000 0.876 37 S CB 1.193 64.323 63.200 -0.118 0.000 1.105 37 S HN 0.783 nan 8.310 nan 0.000 0.470 38 L N -1.179 120.021 121.223 -0.039 0.000 2.389 38 L HA 1.114 5.454 4.340 0.000 0.000 0.249 38 L C -0.284 176.570 176.870 -0.026 0.000 1.083 38 L CA -0.710 54.098 54.840 -0.053 0.000 0.876 38 L CB 1.240 43.271 42.059 -0.047 0.000 1.489 38 L HN 1.109 nan 8.230 nan 0.000 0.412 39 G N 0.373 109.148 108.800 -0.042 0.000 2.753 39 G HA2 0.724 4.684 3.960 0.000 0.000 0.297 39 G HA3 0.724 4.684 3.960 0.000 0.000 0.297 39 G C -1.632 173.263 174.900 -0.008 0.000 1.430 39 G CA -0.560 44.541 45.100 0.000 0.000 1.040 39 G HN 0.671 nan 8.290 nan 0.000 0.530 40 I N 0.768 121.360 120.570 0.036 0.000 2.545 40 I HA 0.493 4.663 4.170 0.000 0.000 0.292 40 I C -0.279 175.911 176.117 0.121 0.000 1.040 40 I CA -0.954 60.390 61.300 0.073 0.000 1.068 40 I CB 2.798 40.858 38.000 0.099 0.000 1.251 40 I HN 0.309 nan 8.210 nan 0.000 0.424 41 K N 4.202 124.712 120.400 0.183 0.000 2.206 41 K HA 0.818 5.138 4.320 0.000 0.000 0.264 41 K C -0.801 175.980 176.600 0.302 0.000 0.967 41 K CA -0.306 56.106 56.287 0.208 0.000 0.844 41 K CB 1.897 34.506 32.500 0.181 0.000 1.099 41 K HN 0.804 nan 8.250 nan 0.000 0.441 42 A N 1.488 124.419 122.820 0.185 0.000 2.352 42 A HA 0.334 4.654 4.320 0.000 0.000 0.299 42 A C 0.962 178.608 177.584 0.103 0.000 1.160 42 A CA -0.180 51.931 52.037 0.123 0.000 0.933 42 A CB 0.505 19.541 19.000 0.060 0.000 1.387 42 A HN 0.851 nan 8.150 nan 0.000 0.487 43 T N -1.665 112.915 114.554 0.043 0.000 3.014 43 T HA -0.054 4.296 4.350 0.000 0.000 0.263 43 T C 0.617 175.340 174.700 0.039 0.000 1.078 43 T CA 1.188 63.313 62.100 0.041 0.000 1.135 43 T CB -0.303 68.566 68.868 0.001 0.000 0.895 43 T HN 0.737 nan 8.240 nan 0.000 0.480 44 N N 1.234 119.946 118.700 0.020 0.000 2.480 44 N HA 0.453 5.193 4.740 0.000 0.000 0.281 44 N C 0.216 175.724 175.510 -0.005 0.000 1.381 44 N CA -0.136 52.915 53.050 0.002 0.000 0.903 44 N CB 0.795 39.273 38.487 -0.015 0.000 1.274 44 N HN 0.623 nan 8.380 nan 0.000 0.505 45 G N -0.952 107.862 108.800 0.024 0.000 2.313 45 G HA2 0.408 4.368 3.960 0.000 0.000 0.296 45 G HA3 0.408 4.368 3.960 0.000 0.000 0.296 45 G C -2.328 172.608 174.900 0.060 0.000 1.356 45 G CA -0.487 44.626 45.100 0.022 0.000 0.833 45 G HN 0.095 nan 8.290 nan 0.000 0.552 46 V N -0.768 119.179 119.914 0.055 0.000 3.012 46 V HA 0.814 4.934 4.120 0.000 0.000 0.307 46 V C -0.755 175.365 176.094 0.044 0.000 1.166 46 V CA -0.687 61.657 62.300 0.075 0.000 0.974 46 V CB 1.781 33.666 31.823 0.104 0.000 1.040 46 V HN 1.588 nan 8.190 nan 0.000 0.428 47 V N 5.790 125.732 119.914 0.047 0.000 2.789 47 V HA 0.792 4.912 4.120 0.000 0.000 0.311 47 V C -1.142 174.972 176.094 0.033 0.000 1.073 47 V CA -0.506 61.806 62.300 0.020 0.000 0.921 47 V CB 1.902 33.737 31.823 0.019 0.000 1.009 47 V HN 0.847 nan 8.190 nan 0.000 0.426 48 I N 4.167 124.750 120.570 0.022 0.000 2.533 48 I HA 1.015 5.186 4.170 0.000 0.000 0.290 48 I C -0.442 175.688 176.117 0.022 0.000 1.056 48 I CA -0.702 60.621 61.300 0.039 0.000 1.057 48 I CB 1.751 39.797 38.000 0.078 0.000 1.240 48 I HN 0.860 nan 8.210 nan 0.000 0.423 49 A N 3.614 126.445 122.820 0.018 0.000 2.566 49 A HA 0.964 5.284 4.320 0.000 0.000 0.292 49 A C -0.616 176.969 177.584 0.000 0.000 1.112 49 A CA -0.620 51.422 52.037 0.009 0.000 0.707 49 A CB 2.268 21.276 19.000 0.013 0.000 1.302 49 A HN 0.862 nan 8.150 nan 0.000 0.409 50 T N -0.829 113.720 114.554 -0.008 0.000 2.718 50 T HA 0.445 4.795 4.350 0.000 0.000 0.306 50 T C -1.722 172.964 174.700 -0.023 0.000 1.485 50 T CA -0.365 61.718 62.100 -0.028 0.000 0.997 50 T CB 1.404 70.236 68.868 -0.059 0.000 1.504 50 T HN 0.878 nan 8.240 nan 0.000 0.497 51 E N 1.130 121.313 120.200 -0.027 0.000 2.214 51 E HA 0.417 4.767 4.350 0.000 0.000 0.274 51 E C -0.855 175.729 176.600 -0.025 0.000 0.977 51 E CA -0.664 55.728 56.400 -0.013 0.000 0.827 51 E CB 0.899 30.610 29.700 0.017 0.000 1.130 51 E HN 0.388 nan 8.360 nan 0.000 0.394 52 K N 3.667 124.055 120.400 -0.019 0.000 2.244 52 K HA 0.113 4.433 4.320 0.000 0.000 0.263 52 K C -0.556 176.043 176.600 -0.002 0.000 1.103 52 K CA -0.485 55.797 56.287 -0.008 0.000 0.966 52 K CB 0.645 33.140 32.500 -0.008 0.000 1.429 52 K HN 0.138 nan 8.250 nan 0.000 0.434 53 K N 2.156 122.554 120.400 -0.003 0.000 2.121 53 K HA -0.000 4.320 4.320 0.000 0.000 0.235 53 K C -0.086 176.520 176.600 0.009 0.000 1.200 53 K CA 0.041 56.329 56.287 0.001 0.000 1.115 53 K CB -0.386 32.109 32.500 -0.008 0.000 1.474 53 K HN 0.281 nan 8.250 nan 0.000 0.295 54 S N 2.059 117.765 115.700 0.010 0.000 2.670 54 S HA -0.038 4.432 4.470 0.000 0.000 0.308 54 S C 0.384 174.992 174.600 0.013 0.000 1.232 54 S CA -0.122 58.086 58.200 0.013 0.000 1.126 54 S CB 0.011 63.217 63.200 0.010 0.000 0.897 54 S HN 0.552 nan 8.310 nan 0.000 0.508 55 S N 3.917 119.627 115.700 0.016 0.000 2.851 55 S HA 0.245 4.715 4.470 0.000 0.000 0.227 55 S C 0.217 174.825 174.600 0.013 0.000 0.958 55 S CA 0.155 58.364 58.200 0.015 0.000 0.990 55 S CB -0.604 62.607 63.200 0.019 0.000 0.790 55 S HN 0.783 nan 8.310 nan 0.000 0.509 56 S N 0.665 116.372 115.700 0.012 0.000 2.751 56 S HA 0.177 4.647 4.470 0.000 0.000 0.289 56 S C -2.800 171.806 174.600 0.010 0.000 0.965 56 S CA -0.776 57.430 58.200 0.010 0.000 0.855 56 S CB 0.817 64.023 63.200 0.010 0.000 1.068 56 S HN -0.011 nan 8.310 nan 0.000 0.462 57 P HA 0.208 nan 4.420 nan 0.000 0.249 57 P C 1.160 178.464 177.300 0.007 0.000 1.229 57 P CA 0.167 63.272 63.100 0.008 0.000 0.788 57 P CB 0.124 31.828 31.700 0.007 0.000 1.072 58 L N -0.965 120.263 121.223 0.008 0.000 2.446 58 L HA 0.207 4.547 4.340 0.000 0.000 0.219 58 L C 1.257 178.132 176.870 0.009 0.000 1.116 58 L CA -0.013 54.832 54.840 0.008 0.000 0.844 58 L CB -0.197 41.866 42.059 0.007 0.000 0.970 58 L HN -0.080 nan 8.230 nan 0.000 0.457 59 A N 0.428 123.254 122.820 0.010 0.000 2.316 59 A HA 0.524 4.845 4.320 0.000 0.000 0.284 59 A C -0.040 177.551 177.584 0.012 0.000 1.115 59 A CA -0.385 51.660 52.037 0.012 0.000 0.812 59 A CB 0.449 19.458 19.000 0.015 0.000 1.064 59 A HN 0.168 nan 8.150 nan 0.000 0.489 60 M N 3.038 122.645 119.600 0.013 0.000 2.069 60 M HA 0.129 4.609 4.480 0.000 0.000 0.349 60 M C 1.351 177.660 176.300 0.014 0.000 1.194 60 M CA -0.240 55.067 55.300 0.012 0.000 1.081 60 M CB 1.061 33.667 32.600 0.011 0.000 1.500 60 M HN 0.951 nan 8.290 nan 0.000 0.438 61 S N 2.016 117.723 115.700 0.012 0.000 2.380 61 S HA -0.241 4.230 4.470 0.000 0.000 0.229 61 S C 1.286 175.896 174.600 0.018 0.000 1.043 61 S CA 1.955 60.163 58.200 0.014 0.000 1.038 61 S CB -0.471 62.733 63.200 0.006 0.000 0.872 61 S HN 0.765 nan 8.310 nan 0.000 0.456 62 E N 2.061 122.270 120.200 0.015 0.000 2.160 62 E HA -0.083 4.267 4.350 0.000 0.000 0.195 62 E C 1.832 178.447 176.600 0.025 0.000 0.991 62 E CA 1.341 57.752 56.400 0.018 0.000 0.810 62 E CB -1.144 28.564 29.700 0.014 0.000 0.742 62 E HN 0.850 nan 8.360 nan 0.000 0.466 63 T N -0.662 113.906 114.554 0.024 0.000 3.667 63 T HA 0.284 4.634 4.350 0.000 0.000 0.240 63 T C 0.132 174.852 174.700 0.034 0.000 0.919 63 T CA -0.129 61.986 62.100 0.026 0.000 0.928 63 T CB -0.647 68.233 68.868 0.021 0.000 1.151 63 T HN 0.055 nan 8.240 nan 0.000 0.644 64 L N 0.383 121.632 121.223 0.043 0.000 2.710 64 L HA 0.332 4.672 4.340 0.000 0.000 0.262 64 L C -1.049 175.866 176.870 0.075 0.000 0.940 64 L CA -0.401 54.474 54.840 0.059 0.000 0.944 64 L CB 2.099 44.193 42.059 0.059 0.000 1.348 64 L HN 0.121 nan 8.230 nan 0.000 0.425 65 S N 3.105 118.861 115.700 0.094 0.000 2.423 65 S HA 0.315 4.785 4.470 0.000 0.000 0.317 65 S C 0.716 175.426 174.600 0.184 0.000 1.065 65 S CA -0.624 57.649 58.200 0.122 0.000 1.111 65 S CB 1.546 64.814 63.200 0.114 0.000 0.968 65 S HN 0.560 nan 8.310 nan 0.000 0.474 66 K N 1.541 122.045 120.400 0.174 0.000 2.243 66 K HA 0.105 4.425 4.320 0.000 0.000 0.201 66 K C 0.138 176.879 176.600 0.234 0.000 1.051 66 K CA 0.648 57.060 56.287 0.208 0.000 0.970 66 K CB 0.266 32.873 32.500 0.180 0.000 0.755 66 K HN 0.345 nan 8.250 nan 0.000 0.465 67 V N 1.731 121.780 119.914 0.223 0.000 2.407 67 V HA 0.162 4.282 4.120 0.000 0.000 0.278 67 V C -0.341 175.933 176.094 0.299 0.000 1.037 67 V CA -0.391 62.071 62.300 0.270 0.000 0.900 67 V CB 1.551 33.503 31.823 0.215 0.000 0.983 67 V HN 0.039 nan 8.190 nan 0.000 0.459 68 S N 4.732 120.607 115.700 0.291 0.000 2.536 68 S HA 0.645 5.115 4.470 0.000 0.000 0.298 68 S C -0.620 173.912 174.600 -0.113 0.000 1.083 68 S CA -0.551 57.707 58.200 0.097 0.000 0.995 68 S CB 1.944 65.139 63.200 -0.009 0.000 1.058 68 S HN 0.686 nan 8.310 nan 0.000 0.488 69 L N 3.802 124.784 121.223 -0.402 0.000 2.305 69 L HA 0.440 4.780 4.340 0.000 0.000 0.281 69 L C 0.053 176.663 176.870 -0.433 0.000 1.085 69 L CA -0.367 53.968 54.840 -0.842 0.000 0.813 69 L CB 0.247 41.719 42.059 -0.978 0.000 1.157 69 L HN 0.761 nan 8.230 nan 0.000 0.436 70 L N 3.284 124.287 121.223 -0.366 0.000 2.286 70 L HA 0.209 4.549 4.340 0.000 0.000 0.203 70 L C 0.851 177.586 176.870 -0.224 0.000 1.068 70 L CA 0.680 55.382 54.840 -0.230 0.000 0.811 70 L CB 0.022 41.980 42.059 -0.169 0.000 0.989 70 L HN 0.791 nan 8.230 nan 0.000 0.467 71 T N -4.860 109.504 114.554 -0.317 0.000 2.812 71 T HA 0.345 4.695 4.350 0.000 0.000 0.294 71 T C -2.475 171.939 174.700 -0.477 0.000 1.159 71 T CA -1.495 60.316 62.100 -0.483 0.000 1.008 71 T CB 1.738 70.282 68.868 -0.540 0.000 1.289 71 T HN -0.248 nan 8.240 nan 0.000 0.514 72 P HA 0.203 nan 4.420 nan 0.000 0.244 72 P C -0.281 176.956 177.300 -0.105 0.000 1.211 72 P CA 0.651 63.589 63.100 -0.270 0.000 0.760 72 P CB -0.025 31.550 31.700 -0.209 0.000 0.961 73 D N -0.764 119.564 120.400 -0.120 0.000 2.556 73 D HA 0.296 4.936 4.640 0.000 0.000 0.237 73 D C 0.373 176.712 176.300 0.066 0.000 1.296 73 D CA 0.064 54.087 54.000 0.038 0.000 0.807 73 D CB 0.955 41.797 40.800 0.069 0.000 1.084 73 D HN 0.236 nan 8.370 nan 0.000 0.510 74 I N 0.389 120.952 120.570 -0.012 0.000 2.607 74 I HA 0.551 4.721 4.170 0.000 0.000 0.290 74 I C -0.058 176.050 176.117 -0.015 0.000 1.129 74 I CA -0.933 60.380 61.300 0.022 0.000 1.042 74 I CB 2.600 40.568 38.000 -0.053 0.000 1.242 74 I HN -0.150 nan 8.210 nan 0.000 0.421 75 G N 3.523 112.430 108.800 0.179 0.000 2.533 75 G HA2 0.885 4.845 3.960 0.000 0.000 0.304 75 G HA3 0.885 4.845 3.960 0.000 0.000 0.304 75 G C -1.710 173.311 174.900 0.202 0.000 1.263 75 G CA -0.676 44.575 45.100 0.252 0.000 0.964 75 G HN 0.777 nan 8.290 nan 0.000 0.479 76 A N -0.378 122.568 122.820 0.210 0.000 2.449 76 A HA 0.846 5.166 4.320 0.000 0.000 0.302 76 A C -1.335 176.441 177.584 0.321 0.000 1.048 76 A CA -0.719 51.454 52.037 0.227 0.000 0.708 76 A CB 2.137 21.238 19.000 0.168 0.000 1.274 76 A HN 1.724 nan 8.150 nan 0.000 0.410 77 V N 2.209 122.292 119.914 0.282 0.000 3.078 77 V HA 0.887 5.007 4.120 0.000 0.000 0.311 77 V C -1.445 174.777 176.094 0.214 0.000 1.138 77 V CA -0.459 61.977 62.300 0.227 0.000 1.007 77 V CB 2.330 34.234 31.823 0.136 0.000 1.045 77 V HN 1.539 nan 8.190 nan 0.000 0.432 78 Y N 1.262 121.418 120.300 -0.240 0.000 2.974 78 Y HA 0.908 5.458 4.550 0.000 0.000 0.310 78 Y C -0.861 174.940 175.900 -0.164 0.000 1.526 78 Y CA -1.725 56.252 58.100 -0.204 0.000 1.087 78 Y CB 1.420 39.651 38.460 -0.381 0.000 1.404 78 Y HN 0.451 nan 8.280 nan 0.000 0.491 79 S N -0.013 115.416 115.700 -0.451 0.000 2.616 79 S HA 0.688 5.158 4.470 0.000 0.000 0.276 79 S C -0.379 174.124 174.600 -0.162 0.000 1.159 79 S CA -0.190 57.712 58.200 -0.496 0.000 1.000 79 S CB 0.922 63.985 63.200 -0.229 0.000 1.117 79 S HN 1.656 nan 8.310 nan 0.000 0.464 80 G N 2.489 111.216 108.800 -0.122 0.000 2.439 80 G HA2 0.191 4.151 3.960 0.000 0.000 0.186 80 G HA3 0.191 4.151 3.960 0.000 0.000 0.186 80 G C -1.625 173.392 174.900 0.196 0.000 1.260 80 G CA -0.930 44.234 45.100 0.106 0.000 1.020 80 G HN 0.553 nan 8.290 nan 0.000 0.470 81 M N 2.640 122.382 119.600 0.237 0.000 2.201 81 M HA 0.371 4.851 4.480 0.000 0.000 0.345 81 M C 1.718 178.180 176.300 0.271 0.000 1.352 81 M CA 0.330 55.759 55.300 0.215 0.000 1.218 81 M CB 0.949 33.649 32.600 0.167 0.000 1.512 81 M HN 0.833 nan 8.290 nan 0.000 0.447 82 G N 4.031 113.023 108.800 0.320 0.000 2.649 82 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 82 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 82 G C -1.022 173.934 174.900 0.093 0.000 1.189 82 G CA 1.086 46.308 45.100 0.204 0.000 0.777 82 G HN 0.501 nan 8.290 nan 0.000 0.602 83 P HA -0.085 nan 4.420 nan 0.000 0.216 83 P C 1.167 178.528 177.300 0.102 0.000 1.157 83 P CA 1.695 64.846 63.100 0.085 0.000 0.880 83 P CB -0.124 31.625 31.700 0.080 0.000 0.791 84 D N -2.505 117.995 120.400 0.166 0.000 2.228 84 D HA -0.205 4.435 4.640 0.000 0.000 0.203 84 D C 1.736 178.090 176.300 0.090 0.000 0.988 84 D CA 1.030 55.194 54.000 0.273 0.000 0.864 84 D CB -0.803 40.255 40.800 0.430 0.000 0.928 84 D HN 0.286 nan 8.370 nan 0.000 0.469 85 Y N 1.044 121.253 120.300 -0.152 0.000 2.130 85 Y HA -0.056 4.494 4.550 0.000 0.000 0.287 85 Y C 2.412 178.146 175.900 -0.276 0.000 1.124 85 Y CA 1.434 59.333 58.100 -0.334 0.000 1.118 85 Y CB -0.236 37.776 38.460 -0.745 0.000 0.994 85 Y HN -0.256 nan 8.280 nan 0.000 0.497 86 R N 0.258 120.651 120.500 -0.179 0.000 2.133 86 R HA -0.222 4.118 4.340 0.000 0.000 0.245 86 R C 2.250 178.398 176.300 -0.255 0.000 1.137 86 R CA 2.970 58.923 56.100 -0.245 0.000 0.947 86 R CB -0.887 29.373 30.300 -0.066 0.000 0.865 86 R HN 0.491 nan 8.270 nan 0.000 0.437 87 V N -1.345 118.487 119.914 -0.137 0.000 2.759 87 V HA -0.099 4.021 4.120 0.000 0.000 0.256 87 V C 1.974 177.959 176.094 -0.183 0.000 1.080 87 V CA 1.473 63.712 62.300 -0.101 0.000 1.101 87 V CB -0.435 31.401 31.823 0.022 0.000 0.698 87 V HN 0.290 nan 8.190 nan 0.000 0.477 88 L N -0.315 120.716 121.223 -0.320 0.000 2.240 88 L HA -0.016 4.324 4.340 0.000 0.000 0.211 88 L C 2.523 179.170 176.870 -0.372 0.000 1.106 88 L CA 1.021 55.611 54.840 -0.415 0.000 0.793 88 L CB -0.067 41.671 42.059 -0.535 0.000 0.927 88 L HN 0.302 nan 8.230 nan 0.000 0.446 89 V N -0.888 118.746 119.914 -0.466 0.000 2.283 89 V HA -0.250 3.870 4.120 0.000 0.000 0.243 89 V C 2.046 177.980 176.094 -0.267 0.000 1.039 89 V CA 1.637 63.677 62.300 -0.434 0.000 1.016 89 V CB -0.587 30.897 31.823 -0.565 0.000 0.650 89 V HN 0.365 nan 8.190 nan 0.000 0.449 90 D N 0.831 121.096 120.400 -0.225 0.000 2.156 90 D HA -0.213 4.427 4.640 0.000 0.000 0.190 90 D C 2.195 178.418 176.300 -0.128 0.000 0.998 90 D CA 1.781 55.690 54.000 -0.152 0.000 0.842 90 D CB -0.376 40.354 40.800 -0.116 0.000 0.974 90 D HN 0.434 nan 8.370 nan 0.000 0.447 91 K N 0.445 120.774 120.400 -0.119 0.000 2.074 91 K HA -0.089 4.231 4.320 0.000 0.000 0.209 91 K C 2.370 178.914 176.600 -0.095 0.000 1.048 91 K CA 1.244 57.478 56.287 -0.089 0.000 0.926 91 K CB -0.179 32.276 32.500 -0.076 0.000 0.713 91 K HN -0.031 nan 8.250 nan 0.000 0.444 92 S N 0.719 116.337 115.700 -0.137 0.000 2.382 92 S HA -0.094 4.376 4.470 0.000 0.000 0.228 92 S C 1.882 176.434 174.600 -0.081 0.000 1.027 92 S CA 1.138 59.263 58.200 -0.124 0.000 0.991 92 S CB -0.084 63.014 63.200 -0.170 0.000 0.823 92 S HN 0.280 nan 8.310 nan 0.000 0.469 93 R N 1.040 121.484 120.500 -0.094 0.000 2.073 93 R HA 0.047 4.387 4.340 0.000 0.000 0.229 93 R C 2.431 178.728 176.300 -0.005 0.000 1.120 93 R CA 1.105 57.174 56.100 -0.052 0.000 0.967 93 R CB -0.162 30.074 30.300 -0.108 0.000 0.862 93 R HN 0.277 nan 8.270 nan 0.000 0.436 94 K N 0.627 120.995 120.400 -0.054 0.000 2.002 94 K HA -0.111 4.209 4.320 0.000 0.000 0.209 94 K C 1.931 178.564 176.600 0.055 0.000 1.048 94 K CA 1.264 57.526 56.287 -0.040 0.000 0.930 94 K CB -0.200 32.268 32.500 -0.053 0.000 0.714 94 K HN 0.024 nan 8.250 nan 0.000 0.438 95 V N 1.081 121.016 119.914 0.035 0.000 2.720 95 V HA -0.164 3.956 4.120 0.000 0.000 0.256 95 V C 1.992 178.147 176.094 0.101 0.000 1.082 95 V CA 1.823 64.155 62.300 0.053 0.000 1.101 95 V CB -0.366 31.463 31.823 0.010 0.000 0.693 95 V HN 0.488 nan 8.190 nan 0.000 0.479 96 A N -1.526 121.375 122.820 0.136 0.000 2.067 96 A HA -0.175 4.145 4.320 0.000 0.000 0.219 96 A C 1.826 179.531 177.584 0.202 0.000 1.158 96 A CA 1.870 54.005 52.037 0.162 0.000 0.661 96 A CB -0.533 18.584 19.000 0.194 0.000 0.801 96 A HN 0.736 nan 8.150 nan 0.000 0.452 97 H N -0.708 118.416 119.070 0.089 0.000 2.297 97 H HA -0.002 4.554 4.556 0.000 0.000 0.317 97 H C 2.699 178.058 175.328 0.052 0.000 1.062 97 H CA 2.183 58.270 56.048 0.065 0.000 1.431 97 H CB -0.881 28.904 29.762 0.039 0.000 1.452 97 H HN 0.511 nan 8.280 nan 0.000 0.565 98 T N -1.438 113.223 114.554 0.178 0.000 2.685 98 T HA -0.182 4.168 4.350 0.000 0.000 0.268 98 T C 1.849 176.593 174.700 0.074 0.000 1.034 98 T CA 2.000 64.154 62.100 0.090 0.000 1.149 98 T CB -0.641 68.263 68.868 0.060 0.000 0.860 98 T HN 0.137 nan 8.240 nan 0.000 0.449 99 S N -0.681 115.086 115.700 0.112 0.000 2.597 99 S HA 0.402 4.872 4.470 0.000 0.000 0.224 99 S C 0.213 174.972 174.600 0.264 0.000 0.955 99 S CA -0.545 57.737 58.200 0.137 0.000 0.933 99 S CB -0.070 63.207 63.200 0.128 0.000 0.788 99 S HN 0.687 nan 8.310 nan 0.000 0.488 100 Y N 0.477 120.812 120.300 0.058 0.000 3.213 100 Y HA 0.328 4.878 4.550 0.000 0.000 0.208 100 Y C 0.830 176.757 175.900 0.045 0.000 1.044 100 Y CA -0.128 58.041 58.100 0.116 0.000 1.520 100 Y CB 0.228 38.727 38.460 0.065 0.000 1.447 100 Y HN -0.127 nan 8.280 nan 0.000 0.393 101 K N 2.948 123.393 120.400 0.075 0.000 3.120 101 K HA 0.039 4.359 4.320 0.000 0.000 0.275 101 K C 0.946 177.458 176.600 -0.146 0.000 0.914 101 K CA 0.652 56.842 56.287 -0.163 0.000 1.125 101 K CB -0.917 31.256 32.500 -0.546 0.000 1.053 101 K HN 0.534 nan 8.250 nan 0.000 0.450 102 I N -0.438 120.002 120.570 -0.217 0.000 3.189 102 I HA -0.473 3.697 4.170 0.000 0.000 0.216 102 I C 0.767 176.547 176.117 -0.563 0.000 0.706 102 I CA 1.972 63.024 61.300 -0.414 0.000 1.237 102 I CB -0.688 36.968 38.000 -0.574 0.000 0.991 102 I HN 0.459 nan 8.210 nan 0.000 0.352 103 Y N -0.496 119.618 120.300 -0.310 0.000 2.445 103 Y HA 0.352 4.902 4.550 0.000 0.000 0.247 103 Y C 1.758 177.540 175.900 -0.197 0.000 1.129 103 Y CA 0.553 58.474 58.100 -0.299 0.000 1.251 103 Y CB 0.660 38.817 38.460 -0.505 0.000 1.176 103 Y HN 0.255 nan 8.280 nan 0.000 0.522 104 G N 1.102 109.862 108.800 -0.068 0.000 2.155 104 G HA2 -0.283 3.677 3.960 0.000 0.000 0.257 104 G HA3 -0.283 3.677 3.960 0.000 0.000 0.257 104 G C -0.010 174.836 174.900 -0.090 0.000 0.983 104 G CA 0.647 45.694 45.100 -0.088 0.000 0.676 104 G HN 0.486 nan 8.290 nan 0.000 0.528 105 E N -1.063 119.107 120.200 -0.050 0.000 2.393 105 E HA 0.635 4.985 4.350 0.000 0.000 0.273 105 E C -0.937 175.678 176.600 0.025 0.000 0.918 105 E CA -1.433 54.955 56.400 -0.019 0.000 0.773 105 E CB 1.189 30.942 29.700 0.088 0.000 1.275 105 E HN 0.102 nan 8.360 nan 0.000 0.451 106 Y N 1.162 121.513 120.300 0.084 0.000 2.379 106 Y HA 0.194 4.744 4.550 0.000 0.000 0.337 106 Y C -1.700 174.150 175.900 -0.084 0.000 1.238 106 Y CA -1.569 56.539 58.100 0.014 0.000 1.405 106 Y CB 0.297 38.733 38.460 -0.040 0.000 1.310 106 Y HN 0.353 nan 8.280 nan 0.000 0.569 107 P HA 0.068 nan 4.420 nan 0.000 0.272 107 P C -2.639 174.410 177.300 -0.420 0.000 1.223 107 P CA -1.246 61.338 63.100 -0.860 0.000 0.784 107 P CB 0.437 31.679 31.700 -0.763 0.000 0.923 108 P HA 0.076 nan 4.420 nan 0.000 0.276 108 P C 0.836 177.996 177.300 -0.232 0.000 1.244 108 P CA -0.098 62.867 63.100 -0.226 0.000 0.801 108 P CB 0.388 31.977 31.700 -0.185 0.000 1.006 109 T N 1.467 115.929 114.554 -0.153 0.000 2.597 109 T HA -0.242 4.108 4.350 0.000 0.000 0.267 109 T C 1.696 176.177 174.700 -0.365 0.000 1.053 109 T CA 2.424 64.417 62.100 -0.179 0.000 1.165 109 T CB -0.757 68.091 68.868 -0.033 0.000 0.863 109 T HN 0.615 nan 8.240 nan 0.000 0.427 110 K N 1.629 121.789 120.400 -0.400 0.000 2.113 110 K HA -0.106 4.214 4.320 0.000 0.000 0.208 110 K C 2.296 178.613 176.600 -0.471 0.000 1.047 110 K CA 1.535 57.471 56.287 -0.586 0.000 0.928 110 K CB -0.692 31.640 32.500 -0.281 0.000 0.716 110 K HN 0.316 nan 8.250 nan 0.000 0.446 111 L N 0.437 121.458 121.223 -0.337 0.000 2.072 111 L HA -0.090 4.250 4.340 0.000 0.000 0.205 111 L C 2.615 179.301 176.870 -0.307 0.000 1.079 111 L CA 0.368 55.034 54.840 -0.291 0.000 0.752 111 L CB -0.464 41.425 42.059 -0.283 0.000 0.906 111 L HN 0.183 nan 8.230 nan 0.000 0.436 112 L N -0.307 120.723 121.223 -0.321 0.000 2.083 112 L HA -0.141 4.199 4.340 0.000 0.000 0.209 112 L C 2.349 179.041 176.870 -0.297 0.000 1.083 112 L CA 1.593 56.276 54.840 -0.261 0.000 0.752 112 L CB -0.432 41.495 42.059 -0.220 0.000 0.899 112 L HN -0.094 nan 8.230 nan 0.000 0.433 113 V N -1.074 118.590 119.914 -0.417 0.000 2.255 113 V HA -0.305 3.815 4.120 0.000 0.000 0.247 113 V C 2.733 178.449 176.094 -0.630 0.000 1.051 113 V CA 1.958 63.936 62.300 -0.537 0.000 1.018 113 V CB -0.843 30.486 31.823 -0.823 0.000 0.641 113 V HN 0.590 nan 8.190 nan 0.000 0.445 114 S N -1.027 114.254 115.700 -0.698 0.000 2.387 114 S HA -0.229 4.241 4.470 0.000 0.000 0.230 114 S C 2.005 176.452 174.600 -0.255 0.000 1.035 114 S CA 1.620 59.499 58.200 -0.535 0.000 1.014 114 S CB -0.273 62.751 63.200 -0.293 0.000 0.836 114 S HN 0.629 nan 8.310 nan 0.000 0.466 115 E N 0.473 120.545 120.200 -0.214 0.000 2.072 115 E HA -0.062 4.288 4.350 0.000 0.000 0.190 115 E C 2.288 178.820 176.600 -0.113 0.000 0.982 115 E CA 1.037 57.366 56.400 -0.119 0.000 0.803 115 E CB -0.537 29.108 29.700 -0.092 0.000 0.755 115 E HN 0.461 nan 8.360 nan 0.000 0.453 116 V N 1.957 121.775 119.914 -0.160 0.000 2.295 116 V HA -0.250 3.870 4.120 0.000 0.000 0.246 116 V C 2.567 178.600 176.094 -0.103 0.000 1.049 116 V CA 1.798 64.013 62.300 -0.142 0.000 1.024 116 V CB -1.155 30.569 31.823 -0.165 0.000 0.648 116 V HN 0.210 nan 8.190 nan 0.000 0.447 117 A N 0.198 122.945 122.820 -0.122 0.000 1.884 117 A HA -0.351 3.969 4.320 0.000 0.000 0.219 117 A C 2.382 179.987 177.584 0.035 0.000 1.197 117 A CA 2.639 54.665 52.037 -0.018 0.000 0.637 117 A CB -0.668 18.347 19.000 0.026 0.000 0.827 117 A HN 0.539 nan 8.150 nan 0.000 0.450 118 K N -0.387 120.023 120.400 0.016 0.000 2.103 118 K HA -0.144 4.176 4.320 0.000 0.000 0.207 118 K C 1.874 178.504 176.600 0.050 0.000 1.048 118 K CA 1.709 58.019 56.287 0.039 0.000 0.930 118 K CB -0.352 32.162 32.500 0.024 0.000 0.716 118 K HN 0.569 nan 8.250 nan 0.000 0.444 119 I N 0.716 121.308 120.570 0.036 0.000 2.226 119 I HA -0.328 3.842 4.170 0.000 0.000 0.245 119 I C 2.477 178.697 176.117 0.172 0.000 1.100 119 I CA 1.363 62.710 61.300 0.078 0.000 1.374 119 I CB -0.208 37.813 38.000 0.035 0.000 1.057 119 I HN 0.261 nan 8.210 nan 0.000 0.413 120 M N -0.322 119.372 119.600 0.157 0.000 2.099 120 M HA -0.217 4.263 4.480 0.000 0.000 0.262 120 M C 2.440 178.851 176.300 0.186 0.000 1.067 120 M CA 1.556 57.021 55.300 0.274 0.000 1.124 120 M CB -0.559 32.153 32.600 0.186 0.000 1.353 120 M HN 0.239 nan 8.290 nan 0.000 0.410 121 Q N 1.433 121.304 119.800 0.117 0.000 2.077 121 Q HA -0.236 4.104 4.340 0.000 0.000 0.206 121 Q C 1.537 177.574 176.000 0.063 0.000 0.989 121 Q CA 1.955 57.806 55.803 0.081 0.000 0.853 121 Q CB -0.304 28.476 28.738 0.069 0.000 0.907 121 Q HN 0.602 nan 8.270 nan 0.000 0.418 122 E N -0.191 120.049 120.200 0.067 0.000 2.209 122 E HA -0.162 4.188 4.350 0.000 0.000 0.196 122 E C 1.613 178.225 176.600 0.020 0.000 0.993 122 E CA 0.911 57.338 56.400 0.044 0.000 0.819 122 E CB -0.125 29.604 29.700 0.048 0.000 0.745 122 E HN 0.441 nan 8.360 nan 0.000 0.477 123 A N 0.583 123.418 122.820 0.026 0.000 2.235 123 A HA -0.012 4.308 4.320 0.000 0.000 0.208 123 A C 1.993 179.541 177.584 -0.059 0.000 1.172 123 A CA 0.738 52.737 52.037 -0.063 0.000 0.786 123 A CB -0.033 18.855 19.000 -0.187 0.000 0.804 123 A HN 0.058 nan 8.150 nan 0.000 0.479 124 T N -1.444 113.098 114.554 -0.019 0.000 3.044 124 T HA 0.102 4.452 4.350 0.000 0.000 0.250 124 T C 1.612 176.283 174.700 -0.048 0.000 1.081 124 T CA 1.145 63.224 62.100 -0.035 0.000 1.040 124 T CB 0.163 69.024 68.868 -0.011 0.000 0.962 124 T HN 0.672 nan 8.240 nan 0.000 0.506 125 Q N -0.409 119.376 119.800 -0.025 0.000 2.445 125 Q HA 0.268 4.608 4.340 0.000 0.000 0.257 125 Q C 0.352 176.351 176.000 -0.002 0.000 0.806 125 Q CA -0.042 55.753 55.803 -0.014 0.000 0.987 125 Q CB 0.713 29.454 28.738 0.006 0.000 1.248 125 Q HN 0.214 nan 8.270 nan 0.000 0.542 126 S N 0.602 116.298 115.700 -0.007 0.000 2.563 126 S HA 0.263 4.733 4.470 0.000 0.000 0.269 126 S C 0.378 174.967 174.600 -0.018 0.000 1.364 126 S CA 0.221 58.414 58.200 -0.011 0.000 1.010 126 S CB 0.612 63.799 63.200 -0.022 0.000 0.877 126 S HN 0.440 nan 8.310 nan 0.000 0.549 127 G N -0.663 108.119 108.800 -0.030 0.000 2.432 127 G HA2 0.463 4.423 3.960 0.000 0.000 0.257 127 G HA3 0.463 4.423 3.960 0.000 0.000 0.257 127 G C 0.962 175.803 174.900 -0.097 0.000 1.238 127 G CA -0.144 44.918 45.100 -0.063 0.000 0.838 127 G HN 1.477 nan 8.290 nan 0.000 0.547 128 G N -0.762 107.970 108.800 -0.114 0.000 2.179 128 G HA2 0.046 4.006 3.960 0.000 0.000 0.257 128 G HA3 0.046 4.006 3.960 0.000 0.000 0.257 128 G C 0.286 175.105 174.900 -0.134 0.000 1.010 128 G CA 0.998 46.026 45.100 -0.120 0.000 0.736 128 G HN 2.047 nan 8.290 nan 0.000 0.513 129 V N -3.324 116.528 119.914 -0.103 0.000 3.040 129 V HA 0.961 5.081 4.120 0.000 0.000 0.312 129 V C 0.012 176.036 176.094 -0.117 0.000 1.115 129 V CA -0.986 61.233 62.300 -0.134 0.000 0.998 129 V CB 1.842 33.572 31.823 -0.155 0.000 1.042 129 V HN 0.883 nan 8.190 nan 0.000 0.433 130 R N 1.573 121.985 120.500 -0.146 0.000 2.604 130 R HA 0.773 5.113 4.340 0.000 0.000 0.287 130 R C -2.804 173.392 176.300 -0.174 0.000 0.970 130 R CA -1.661 54.371 56.100 -0.113 0.000 0.946 130 R CB 1.224 31.475 30.300 -0.082 0.000 1.127 130 R HN 0.514 nan 8.270 nan 0.000 0.473 131 P HA -0.036 nan 4.420 nan 0.000 0.272 131 P C -0.958 176.261 177.300 -0.135 0.000 1.248 131 P CA -0.018 63.019 63.100 -0.106 0.000 0.799 131 P CB 0.299 31.994 31.700 -0.007 0.000 0.997 132 F N -0.410 119.563 119.950 0.038 0.000 2.427 132 F HA 0.292 4.819 4.527 0.000 0.000 0.352 132 F C 1.699 177.543 175.800 0.073 0.000 1.100 132 F CA 0.064 58.095 58.000 0.052 0.000 1.191 132 F CB 0.456 39.489 39.000 0.054 0.000 1.128 132 F HN 0.264 nan 8.300 nan 0.000 0.533 133 G N 3.684 112.651 108.800 0.278 0.000 3.452 133 G HA2 0.391 4.351 3.960 0.000 0.000 0.258 133 G HA3 0.391 4.351 3.960 0.000 0.000 0.258 133 G C -0.502 174.534 174.900 0.227 0.000 1.305 133 G CA 0.047 45.272 45.100 0.207 0.000 1.514 133 G HN 0.507 nan 8.290 nan 0.000 0.593 134 V N -4.093 115.971 119.914 0.249 0.000 3.181 134 V HA 0.907 5.027 4.120 0.000 0.000 0.308 134 V C -0.535 175.679 176.094 0.199 0.000 1.214 134 V CA -1.144 61.298 62.300 0.238 0.000 1.053 134 V CB 1.891 33.876 31.823 0.269 0.000 1.069 134 V HN -0.001 nan 8.190 nan 0.000 0.441 135 S N 0.982 116.799 115.700 0.195 0.000 2.541 135 S HA 0.897 5.367 4.470 0.000 0.000 0.280 135 S C -0.984 173.729 174.600 0.189 0.000 1.112 135 S CA -0.663 57.641 58.200 0.174 0.000 0.925 135 S CB 1.307 64.598 63.200 0.151 0.000 1.067 135 S HN 0.817 nan 8.310 nan 0.000 0.479 136 L N 2.704 124.038 121.223 0.185 0.000 2.333 136 L HA 0.708 5.048 4.340 0.000 0.000 0.263 136 L C -1.249 175.734 176.870 0.189 0.000 1.014 136 L CA -1.029 53.931 54.840 0.200 0.000 0.820 136 L CB 1.435 43.612 42.059 0.197 0.000 1.352 136 L HN 0.363 nan 8.230 nan 0.000 0.421 137 L N 2.958 124.290 121.223 0.181 0.000 2.343 137 L HA 0.590 4.930 4.340 0.000 0.000 0.278 137 L C -0.901 176.082 176.870 0.188 0.000 0.996 137 L CA -0.300 54.648 54.840 0.180 0.000 0.831 137 L CB 2.152 44.282 42.059 0.120 0.000 1.232 137 L HN 0.483 nan 8.230 nan 0.000 0.413 138 I N 2.838 123.531 120.570 0.205 0.000 2.406 138 I HA 0.665 4.835 4.170 0.000 0.000 0.290 138 I C -0.070 176.175 176.117 0.214 0.000 0.999 138 I CA -0.261 61.144 61.300 0.175 0.000 1.124 138 I CB 2.096 40.161 38.000 0.109 0.000 1.289 138 I HN 0.645 nan 8.210 nan 0.000 0.441 139 A N 4.341 127.275 122.820 0.191 0.000 2.401 139 A HA 0.999 5.319 4.320 0.000 0.000 0.310 139 A C -0.321 177.375 177.584 0.185 0.000 1.075 139 A CA -0.394 51.761 52.037 0.198 0.000 0.746 139 A CB 1.734 20.838 19.000 0.173 0.000 1.277 139 A HN 0.849 nan 8.150 nan 0.000 0.425 140 G N 0.074 108.987 108.800 0.187 0.000 2.554 140 G HA2 0.577 4.537 3.960 0.000 0.000 0.306 140 G HA3 0.577 4.537 3.960 0.000 0.000 0.306 140 G C -1.702 173.329 174.900 0.219 0.000 1.320 140 G CA -0.340 44.864 45.100 0.173 0.000 0.800 140 G HN 1.166 nan 8.290 nan 0.000 0.481 141 H N -0.111 119.005 119.070 0.078 0.000 3.012 141 H HA 0.600 5.156 4.556 0.000 0.000 0.367 141 H C -1.894 173.474 175.328 0.067 0.000 1.211 141 H CA -0.142 55.952 56.048 0.076 0.000 1.139 141 H CB 2.729 32.533 29.762 0.069 0.000 1.838 141 H HN 0.784 nan 8.280 nan 0.000 0.550 142 D N 1.252 121.287 120.400 -0.608 0.000 2.837 142 D HA 0.071 4.711 4.640 0.000 0.000 0.220 142 D C 0.658 176.703 176.300 -0.426 0.000 1.236 142 D CA -0.748 53.057 54.000 -0.325 0.000 0.838 142 D CB 1.632 42.376 40.800 -0.093 0.000 1.647 142 D HN 0.574 nan 8.370 nan 0.000 0.486 143 E N 0.547 120.684 120.200 -0.104 0.000 2.197 143 E HA -0.277 4.073 4.350 0.000 0.000 0.205 143 E C 0.399 176.888 176.600 -0.185 0.000 1.029 143 E CA 1.713 58.078 56.400 -0.058 0.000 0.828 143 E CB -0.052 29.710 29.700 0.104 0.000 0.737 143 E HN 0.582 nan 8.360 nan 0.000 0.464 144 F N -0.694 119.196 119.950 -0.101 0.000 2.656 144 F HA 0.213 4.740 4.527 0.000 0.000 0.291 144 F C 1.808 177.576 175.800 -0.053 0.000 1.122 144 F CA 0.176 58.142 58.000 -0.058 0.000 1.427 144 F CB 0.287 39.264 39.000 -0.038 0.000 1.125 144 F HN -0.008 nan 8.300 nan 0.000 0.583 145 N N -0.575 118.165 118.700 0.067 0.000 2.184 145 N HA 0.175 4.915 4.740 0.000 0.000 0.206 145 N C 1.706 177.224 175.510 0.013 0.000 1.151 145 N CA 0.883 53.962 53.050 0.048 0.000 0.878 145 N CB 1.103 39.626 38.487 0.061 0.000 1.014 145 N HN 0.352 nan 8.380 nan 0.000 0.512 146 G N 1.743 110.492 108.800 -0.084 0.000 5.206 146 G HA2 -0.357 3.603 3.960 0.000 0.000 0.328 146 G HA3 -0.357 3.603 3.960 0.000 0.000 0.328 146 G C -0.061 174.915 174.900 0.127 0.000 1.382 146 G CA 0.885 45.999 45.100 0.025 0.000 0.994 146 G HN 1.004 nan 8.290 nan 0.000 0.800 147 S N -1.993 113.817 115.700 0.183 0.000 2.752 147 S HA 0.538 5.008 4.470 0.000 0.000 0.279 147 S C -1.616 173.093 174.600 0.182 0.000 0.949 147 S CA 0.289 58.589 58.200 0.166 0.000 0.916 147 S CB 1.037 64.405 63.200 0.279 0.000 1.157 147 S HN 2.202 nan 8.310 nan 0.000 0.459 148 L N 1.354 122.621 121.223 0.072 0.000 2.436 148 L HA 0.888 5.228 4.340 0.000 0.000 0.268 148 L C -2.097 174.789 176.870 0.025 0.000 0.974 148 L CA -0.240 54.680 54.840 0.134 0.000 0.826 148 L CB 1.515 43.647 42.059 0.122 0.000 1.291 148 L HN 0.900 nan 8.230 nan 0.000 0.406 149 Y N 2.454 122.879 120.300 0.209 0.000 2.553 149 Y HA 0.603 5.153 4.550 0.000 0.000 0.347 149 Y C -0.519 175.561 175.900 0.300 0.000 1.019 149 Y CA -0.511 57.737 58.100 0.246 0.000 1.032 149 Y CB 2.208 40.735 38.460 0.111 0.000 1.284 149 Y HN 0.605 nan 8.280 nan 0.000 0.466 150 Q N 1.917 122.056 119.800 0.564 0.000 2.342 150 Q HA 0.800 5.140 4.340 0.000 0.000 0.267 150 Q C -2.081 174.100 176.000 0.302 0.000 1.038 150 Q CA -0.875 55.219 55.803 0.484 0.000 0.832 150 Q CB 2.121 31.317 28.738 0.764 0.000 1.323 150 Q HN 0.597 nan 8.270 nan 0.000 0.448 151 V N 3.168 123.207 119.914 0.209 0.000 2.577 151 V HA 0.378 4.498 4.120 0.000 0.000 0.303 151 V C -0.878 175.299 176.094 0.139 0.000 1.042 151 V CA -0.905 61.455 62.300 0.101 0.000 0.872 151 V CB 1.923 33.785 31.823 0.066 0.000 0.998 151 V HN 0.813 nan 8.190 nan 0.000 0.423 152 D N 4.653 125.128 120.400 0.125 0.000 2.385 152 D HA 0.431 5.071 4.640 0.000 0.000 0.254 152 D C -1.819 174.571 176.300 0.149 0.000 1.053 152 D CA -1.922 52.185 54.000 0.179 0.000 0.992 152 D CB 1.920 42.870 40.800 0.250 0.000 1.145 152 D HN 0.182 nan 8.370 nan 0.000 0.523 153 P HA -0.120 nan 4.420 nan 0.000 0.223 153 P C 1.107 178.486 177.300 0.131 0.000 1.144 153 P CA 1.174 64.373 63.100 0.165 0.000 0.783 153 P CB 0.200 31.996 31.700 0.159 0.000 0.771 154 S N -2.065 113.702 115.700 0.111 0.000 2.406 154 S HA 0.115 4.585 4.470 0.000 0.000 0.228 154 S C 1.789 176.438 174.600 0.081 0.000 1.020 154 S CA 1.016 59.265 58.200 0.082 0.000 0.965 154 S CB -1.096 62.156 63.200 0.086 0.000 0.798 154 S HN 0.267 nan 8.310 nan 0.000 0.488 155 G N 0.243 109.098 108.800 0.091 0.000 2.192 155 G HA2 -0.166 3.795 3.960 0.000 0.000 0.193 155 G HA3 -0.166 3.795 3.960 0.000 0.000 0.193 155 G C 0.065 175.006 174.900 0.069 0.000 0.999 155 G CA -0.062 45.093 45.100 0.091 0.000 0.659 155 G HN 0.604 nan 8.290 nan 0.000 0.503 156 S N 0.309 116.008 115.700 -0.002 0.000 2.576 156 S HA 0.640 5.110 4.470 0.000 0.000 0.276 156 S C -0.236 174.102 174.600 -0.437 0.000 1.339 156 S CA 0.512 58.596 58.200 -0.193 0.000 1.039 156 S CB 0.562 63.732 63.200 -0.050 0.000 0.902 156 S HN 1.112 nan 8.310 nan 0.000 0.516 157 Y N -0.477 119.366 120.300 -0.762 0.000 2.534 157 Y HA 0.833 5.383 4.550 0.000 0.000 0.345 157 Y C -1.420 173.924 175.900 -0.927 0.000 1.031 157 Y CA -1.922 55.677 58.100 -0.835 0.000 1.022 157 Y CB 0.795 39.094 38.460 -0.268 0.000 1.292 157 Y HN 0.485 nan 8.280 nan 0.000 0.459 158 F N 0.518 120.631 119.950 0.272 0.000 2.631 158 F HA 0.759 5.286 4.527 0.000 0.000 0.308 158 F C -3.088 172.573 175.800 -0.232 0.000 1.097 158 F CA -2.878 55.091 58.000 -0.052 0.000 0.952 158 F CB 1.939 40.741 39.000 -0.330 0.000 1.307 158 F HN 0.271 nan 8.300 nan 0.000 0.450 159 P HA 0.275 nan 4.420 nan 0.000 0.296 159 P C -1.696 175.243 177.300 -0.601 0.000 1.306 159 P CA -0.186 62.508 63.100 -0.676 0.000 0.818 159 P CB 1.007 32.344 31.700 -0.605 0.000 0.969 160 W N 2.408 123.567 121.300 -0.235 0.000 2.706 160 W HA 0.431 5.091 4.660 0.000 0.000 0.346 160 W C 1.467 177.833 176.519 -0.254 0.000 1.071 160 W CA -0.619 56.606 57.345 -0.200 0.000 1.206 160 W CB 2.090 31.469 29.460 -0.134 0.000 1.413 160 W HN 0.276 nan 8.180 nan 0.000 0.542 161 K N 1.583 121.942 120.400 -0.069 0.000 2.186 161 K HA 0.379 4.699 4.320 0.000 0.000 0.202 161 K C 0.362 176.719 176.600 -0.405 0.000 1.052 161 K CA 0.733 56.760 56.287 -0.433 0.000 0.965 161 K CB 0.340 32.144 32.500 -1.160 0.000 0.746 161 K HN 0.401 nan 8.250 nan 0.000 0.457 162 A N 0.082 122.741 122.820 -0.268 0.000 2.583 162 A HA 0.540 4.860 4.320 0.000 0.000 0.292 162 A C -0.900 176.498 177.584 -0.310 0.000 1.045 162 A CA -0.534 51.369 52.037 -0.224 0.000 0.672 162 A CB 1.773 20.613 19.000 -0.266 0.000 1.283 162 A HN -0.046 nan 8.150 nan 0.000 0.419 163 T N -1.283 113.057 114.554 -0.356 0.000 2.663 163 T HA 0.811 5.161 4.350 0.000 0.000 0.305 163 T C -1.589 172.894 174.700 -0.362 0.000 1.660 163 T CA 0.572 62.325 62.100 -0.578 0.000 0.976 163 T CB 1.105 69.228 68.868 -1.243 0.000 1.705 163 T HN 2.575 nan 8.240 nan 0.000 0.494 164 A N 0.960 123.563 122.820 -0.361 0.000 2.587 164 A HA 0.922 5.242 4.320 0.000 0.000 0.293 164 A C -1.460 176.008 177.584 -0.193 0.000 1.087 164 A CA -0.700 51.212 52.037 -0.207 0.000 0.692 164 A CB 1.095 20.011 19.000 -0.139 0.000 1.291 164 A HN 1.286 nan 8.150 nan 0.000 0.407 165 I N -1.912 118.585 120.570 -0.122 0.000 2.994 165 I HA 0.925 5.095 4.170 0.000 0.000 0.306 165 I C 0.337 176.409 176.117 -0.074 0.000 1.195 165 I CA -0.237 61.012 61.300 -0.084 0.000 1.001 165 I CB 2.003 39.978 38.000 -0.043 0.000 1.244 165 I HN 2.142 nan 8.210 nan 0.000 0.437 166 G N 2.688 111.456 108.800 -0.053 0.000 2.627 166 G HA2 -0.174 3.786 3.960 0.000 0.000 0.214 166 G HA3 -0.174 3.786 3.960 0.000 0.000 0.214 166 G C 0.165 175.037 174.900 -0.048 0.000 1.331 166 G CA 0.108 45.173 45.100 -0.058 0.000 0.891 166 G HN 1.049 nan 8.290 nan 0.000 0.539 167 K N -0.358 120.013 120.400 -0.048 0.000 2.008 167 K HA -0.243 4.077 4.320 0.000 0.000 0.233 167 K C 2.327 178.905 176.600 -0.036 0.000 0.945 167 K CA 2.591 58.855 56.287 -0.038 0.000 1.024 167 K CB -0.932 31.544 32.500 -0.040 0.000 0.687 167 K HN 1.156 nan 8.250 nan 0.000 0.545 168 G N 0.146 108.923 108.800 -0.038 0.000 3.374 168 G HA2 -0.021 3.939 3.960 0.000 0.000 0.252 168 G HA3 -0.021 3.939 3.960 0.000 0.000 0.252 168 G C 1.118 175.995 174.900 -0.039 0.000 1.326 168 G CA 0.624 45.703 45.100 -0.036 0.000 1.133 168 G HN 0.469 nan 8.290 nan 0.000 0.528 169 S N 0.013 115.685 115.700 -0.046 0.000 2.359 169 S HA -0.233 4.237 4.470 0.000 0.000 0.222 169 S C 2.295 176.860 174.600 -0.059 0.000 1.038 169 S CA 1.627 59.789 58.200 -0.063 0.000 1.051 169 S CB -0.706 62.452 63.200 -0.070 0.000 0.944 169 S HN 0.155 nan 8.310 nan 0.000 0.433 170 V N 3.404 123.292 119.914 -0.044 0.000 2.252 170 V HA -0.203 3.917 4.120 0.000 0.000 0.249 170 V C 3.213 179.294 176.094 -0.022 0.000 1.056 170 V CA 1.924 64.203 62.300 -0.035 0.000 1.022 170 V CB -1.920 29.889 31.823 -0.023 0.000 0.641 170 V HN 0.721 nan 8.190 nan 0.000 0.445 171 A N 0.286 123.096 122.820 -0.018 0.000 1.865 171 A HA -0.180 4.140 4.320 0.000 0.000 0.217 171 A C 2.462 180.065 177.584 0.031 0.000 1.191 171 A CA 2.720 54.754 52.037 -0.005 0.000 0.623 171 A CB -1.085 17.900 19.000 -0.025 0.000 0.826 171 A HN 0.658 nan 8.150 nan 0.000 0.444 172 A N -0.445 122.389 122.820 0.024 0.000 1.902 172 A HA -0.179 4.141 4.320 0.000 0.000 0.217 172 A C 2.115 179.716 177.584 0.029 0.000 1.181 172 A CA 1.819 53.895 52.037 0.065 0.000 0.623 172 A CB -0.471 18.540 19.000 0.019 0.000 0.818 172 A HN 0.532 nan 8.150 nan 0.000 0.443 173 K N -0.793 119.583 120.400 -0.040 0.000 2.063 173 K HA -0.132 4.188 4.320 0.000 0.000 0.208 173 K C 2.097 178.678 176.600 -0.032 0.000 1.048 173 K CA 1.836 58.068 56.287 -0.091 0.000 0.928 173 K CB -0.542 31.882 32.500 -0.127 0.000 0.713 173 K HN 0.543 nan 8.250 nan 0.000 0.442 174 T N 1.352 115.916 114.554 0.016 0.000 2.737 174 T HA -0.139 4.211 4.350 0.000 0.000 0.265 174 T C 1.508 176.282 174.700 0.123 0.000 1.038 174 T CA 1.026 63.158 62.100 0.053 0.000 1.144 174 T CB -0.379 68.519 68.868 0.049 0.000 0.866 174 T HN 0.137 nan 8.240 nan 0.000 0.434 175 F N 2.131 122.064 119.950 -0.028 0.000 2.126 175 F HA -0.030 4.497 4.527 0.000 0.000 0.299 175 F C 1.904 177.706 175.800 0.004 0.000 1.096 175 F CA 0.781 58.770 58.000 -0.018 0.000 1.255 175 F CB -0.896 38.084 39.000 -0.033 0.000 0.997 175 F HN 0.076 nan 8.300 nan 0.000 0.479 176 L N -0.049 121.094 121.223 -0.134 0.000 2.017 176 L HA -0.228 4.112 4.340 0.000 0.000 0.208 176 L C 2.353 179.179 176.870 -0.073 0.000 1.073 176 L CA 1.765 56.482 54.840 -0.204 0.000 0.745 176 L CB -0.916 41.062 42.059 -0.134 0.000 0.894 176 L HN 0.110 nan 8.230 nan 0.000 0.432 177 E N 0.076 120.265 120.200 -0.018 0.000 2.273 177 E HA -0.254 4.096 4.350 0.000 0.000 0.198 177 E C 2.074 178.718 176.600 0.073 0.000 1.002 177 E CA 1.179 57.603 56.400 0.040 0.000 0.828 177 E CB 0.036 29.755 29.700 0.032 0.000 0.747 177 E HN 0.478 nan 8.360 nan 0.000 0.491 178 K N -0.193 120.230 120.400 0.038 0.000 2.141 178 K HA 0.075 4.395 4.320 0.000 0.000 0.202 178 K C 2.155 178.764 176.600 0.014 0.000 1.045 178 K CA 0.097 56.413 56.287 0.048 0.000 0.971 178 K CB 0.194 32.746 32.500 0.087 0.000 0.795 178 K HN -0.093 nan 8.250 nan 0.000 0.459 179 R N 0.394 120.840 120.500 -0.089 0.000 2.075 179 R HA -0.082 4.258 4.340 0.000 0.000 0.232 179 R C 0.769 177.053 176.300 -0.027 0.000 1.126 179 R CA 0.596 56.623 56.100 -0.122 0.000 0.963 179 R CB -0.545 29.538 30.300 -0.362 0.000 0.858 179 R HN 0.199 nan 8.270 nan 0.000 0.435 180 W N 3.034 124.257 121.300 -0.128 0.000 2.148 180 W HA -0.030 4.630 4.660 0.000 0.000 0.347 180 W C 0.100 176.596 176.519 -0.038 0.000 1.288 180 W CA 0.618 57.919 57.345 -0.074 0.000 1.252 180 W CB 0.405 29.828 29.460 -0.061 0.000 1.156 180 W HN 0.276 nan 8.180 nan 0.000 0.580 181 N N 1.091 119.100 118.700 -1.152 0.000 3.127 181 N HA 0.129 4.869 4.740 0.000 0.000 0.239 181 N C -0.946 173.572 175.510 -1.654 0.000 1.407 181 N CA -0.557 51.838 53.050 -1.092 0.000 0.891 181 N CB 0.861 39.073 38.487 -0.459 0.000 1.447 181 N HN 0.295 nan 8.380 nan 0.000 0.507 182 D N -1.142 118.660 120.400 -0.998 0.000 2.344 182 D HA 0.043 4.683 4.640 0.000 0.000 0.242 182 D C -0.337 175.777 176.300 -0.309 0.000 1.159 182 D CA 0.288 53.943 54.000 -0.575 0.000 0.859 182 D CB -0.168 40.532 40.800 -0.167 0.000 0.925 182 D HN 0.732 nan 8.370 nan 0.000 0.510 183 E N -0.199 119.801 120.200 -0.334 0.000 2.876 183 E HA 0.209 4.559 4.350 0.000 0.000 0.208 183 E C -0.139 176.355 176.600 -0.177 0.000 0.981 183 E CA -0.360 55.925 56.400 -0.192 0.000 1.174 183 E CB 0.814 30.425 29.700 -0.148 0.000 1.047 183 E HN 0.255 nan 8.360 nan 0.000 0.477 184 L N 2.063 123.149 121.223 -0.229 0.000 2.360 184 L HA 0.141 4.481 4.340 0.000 0.000 0.276 184 L C 0.709 177.532 176.870 -0.079 0.000 1.121 184 L CA 0.113 54.858 54.840 -0.159 0.000 0.845 184 L CB 0.562 42.505 42.059 -0.193 0.000 1.143 184 L HN 0.111 nan 8.230 nan 0.000 0.452 185 E N 2.327 122.493 120.200 -0.056 0.000 2.313 185 E HA 0.023 4.373 4.350 0.000 0.000 0.272 185 E C 0.678 177.269 176.600 -0.016 0.000 1.038 185 E CA -0.541 55.839 56.400 -0.033 0.000 0.863 185 E CB 1.623 31.303 29.700 -0.035 0.000 1.060 185 E HN 0.495 nan 8.360 nan 0.000 0.402 186 L N 4.325 125.544 121.223 -0.006 0.000 2.064 186 L HA -0.245 4.095 4.340 0.000 0.000 0.216 186 L C 1.885 178.761 176.870 0.009 0.000 1.077 186 L CA 1.963 56.806 54.840 0.005 0.000 0.766 186 L CB -0.284 41.773 42.059 -0.003 0.000 0.890 186 L HN 0.566 nan 8.230 nan 0.000 0.435 187 E N -0.060 120.139 120.200 -0.002 0.000 2.085 187 E HA -0.227 4.123 4.350 0.000 0.000 0.194 187 E C 1.915 178.532 176.600 0.029 0.000 0.994 187 E CA 1.581 57.981 56.400 0.000 0.000 0.801 187 E CB -0.391 29.294 29.700 -0.026 0.000 0.743 187 E HN 0.645 nan 8.360 nan 0.000 0.453 188 D N 0.329 120.741 120.400 0.020 0.000 2.117 188 D HA -0.120 4.520 4.640 0.000 0.000 0.197 188 D C 1.831 178.184 176.300 0.089 0.000 0.987 188 D CA 1.409 55.441 54.000 0.053 0.000 0.829 188 D CB -0.305 40.497 40.800 0.004 0.000 0.961 188 D HN 0.166 nan 8.370 nan 0.000 0.460 189 A N 0.906 123.760 122.820 0.056 0.000 1.898 189 A HA -0.103 4.217 4.320 0.000 0.000 0.216 189 A C 2.394 180.024 177.584 0.076 0.000 1.181 189 A CA 0.703 52.779 52.037 0.066 0.000 0.620 189 A CB -0.681 18.363 19.000 0.073 0.000 0.819 189 A HN 0.160 nan 8.150 nan 0.000 0.442 190 I N -1.201 119.414 120.570 0.075 0.000 2.151 190 I HA -0.322 3.848 4.170 0.000 0.000 0.243 190 I C 2.550 178.742 176.117 0.124 0.000 1.080 190 I CA 2.004 63.349 61.300 0.076 0.000 1.339 190 I CB -0.597 37.438 38.000 0.058 0.000 1.039 190 I HN 0.509 nan 8.210 nan 0.000 0.409 191 H N 1.440 120.527 119.070 0.030 0.000 2.251 191 H HA -0.186 4.370 4.556 0.000 0.000 0.294 191 H C 2.151 177.518 175.328 0.064 0.000 1.078 191 H CA 2.164 58.241 56.048 0.047 0.000 1.246 191 H CB -0.414 29.367 29.762 0.032 0.000 1.358 191 H HN 0.199 nan 8.280 nan 0.000 0.488 192 I N 0.122 120.714 120.570 0.036 0.000 2.194 192 I HA -0.352 3.818 4.170 0.000 0.000 0.246 192 I C 2.731 178.837 176.117 -0.018 0.000 1.093 192 I CA 1.236 62.501 61.300 -0.059 0.000 1.355 192 I CB -0.583 37.377 38.000 -0.067 0.000 1.046 192 I HN 0.421 nan 8.210 nan 0.000 0.413 193 A N 0.909 123.746 122.820 0.028 0.000 1.902 193 A HA -0.168 4.152 4.320 0.000 0.000 0.217 193 A C 2.310 179.952 177.584 0.098 0.000 1.181 193 A CA 1.427 53.495 52.037 0.051 0.000 0.623 193 A CB -0.835 18.195 19.000 0.050 0.000 0.818 193 A HN 0.388 nan 8.150 nan 0.000 0.443 194 L N -0.641 120.646 121.223 0.106 0.000 2.042 194 L HA -0.213 4.127 4.340 0.000 0.000 0.210 194 L C 2.620 179.616 176.870 0.209 0.000 1.076 194 L CA 1.189 56.149 54.840 0.201 0.000 0.749 194 L CB -0.571 41.595 42.059 0.179 0.000 0.893 194 L HN 0.403 nan 8.230 nan 0.000 0.432 195 L N -0.997 120.268 121.223 0.069 0.000 1.976 195 L HA -0.195 4.146 4.340 0.000 0.000 0.209 195 L C 2.658 179.621 176.870 0.155 0.000 1.071 195 L CA 1.754 56.639 54.840 0.074 0.000 0.746 195 L CB -1.121 41.034 42.059 0.160 0.000 0.890 195 L HN 0.253 nan 8.230 nan 0.000 0.432 196 T N 0.435 115.178 114.554 0.315 0.000 2.737 196 T HA -0.234 4.116 4.350 0.000 0.000 0.269 196 T C 1.844 176.623 174.700 0.132 0.000 1.040 196 T CA 1.457 63.758 62.100 0.335 0.000 1.142 196 T CB -0.334 68.665 68.868 0.219 0.000 0.861 196 T HN 0.075 nan 8.240 nan 0.000 0.456 197 L N 1.214 122.521 121.223 0.139 0.000 2.056 197 L HA 0.068 4.408 4.340 0.000 0.000 0.207 197 L C 2.437 179.335 176.870 0.047 0.000 1.078 197 L CA 1.738 56.679 54.840 0.168 0.000 0.749 197 L CB -0.580 41.662 42.059 0.304 0.000 0.901 197 L HN 0.123 nan 8.230 nan 0.000 0.433 198 K N -0.588 119.658 120.400 -0.257 0.000 2.044 198 K HA -0.234 4.086 4.320 0.000 0.000 0.210 198 K C 1.815 178.140 176.600 -0.458 0.000 1.049 198 K CA 1.810 57.537 56.287 -0.934 0.000 0.927 198 K CB -0.060 31.863 32.500 -0.962 0.000 0.713 198 K HN 0.339 nan 8.250 nan 0.000 0.443 199 E N 0.814 120.850 120.200 -0.273 0.000 2.160 199 E HA -0.079 4.271 4.350 0.000 0.000 0.195 199 E C 0.924 177.442 176.600 -0.137 0.000 0.991 199 E CA 0.615 56.889 56.400 -0.211 0.000 0.810 199 E CB -0.191 29.379 29.700 -0.216 0.000 0.742 199 E HN 0.234 nan 8.360 nan 0.000 0.466 203 E N 2.692 122.890 120.200 -0.003 0.000 2.008 203 E HA 0.125 4.475 4.350 0.000 0.000 0.191 203 E C 1.690 178.288 176.600 -0.005 0.000 0.986 203 E CA 1.637 58.028 56.400 -0.015 0.000 0.807 203 E CB 0.011 29.706 29.700 -0.009 0.000 0.766 203 E HN 0.832 nan 8.360 nan 0.000 0.450 204 G N 0.498 109.311 108.800 0.023 0.000 2.992 204 G HA2 0.055 4.015 3.960 0.000 0.000 0.195 204 G HA3 0.055 4.015 3.960 0.000 0.000 0.195 204 G C -0.036 174.903 174.900 0.066 0.000 2.032 204 G CA -0.474 44.645 45.100 0.031 0.000 0.831 204 G HN -0.039 nan 8.290 nan 0.000 0.647 205 E N 0.071 120.316 120.200 0.075 0.000 2.384 205 E HA 0.241 4.591 4.350 0.000 0.000 0.266 205 E C -1.644 175.070 176.600 0.190 0.000 1.012 205 E CA 0.085 56.544 56.400 0.099 0.000 0.901 205 E CB 1.510 31.244 29.700 0.056 0.000 0.967 205 E HN 0.141 nan 8.360 nan 0.000 0.435 206 F N 4.928 124.874 119.950 -0.007 0.000 2.716 206 F HA 0.220 4.747 4.527 0.000 0.000 0.354 206 F C -0.751 175.048 175.800 -0.001 0.000 1.168 206 F CA -0.614 57.382 58.000 -0.006 0.000 1.045 206 F CB 0.532 39.527 39.000 -0.009 0.000 1.311 206 F HN 0.425 nan 8.300 nan 0.000 0.477 207 N N 1.690 120.249 118.700 -0.234 0.000 3.227 207 N HA 0.264 5.004 4.740 0.000 0.000 0.241 207 N C -0.202 175.170 175.510 -0.230 0.000 1.480 207 N CA -0.687 52.251 53.050 -0.187 0.000 0.886 207 N CB 0.577 39.031 38.487 -0.055 0.000 1.406 207 N HN 0.476 nan 8.380 nan 0.000 0.514 208 G N 0.001 108.709 108.800 -0.153 0.000 3.022 208 G HA2 0.061 4.021 3.960 0.000 0.000 0.246 208 G HA3 0.061 4.021 3.960 0.000 0.000 0.246 208 G C 0.971 175.815 174.900 -0.094 0.000 0.859 208 G CA 0.563 45.586 45.100 -0.127 0.000 1.941 208 G HN 1.100 nan 8.290 nan 0.000 0.589 209 T N -1.804 112.697 114.554 -0.088 0.000 3.816 209 T HA -0.300 4.050 4.350 0.000 0.000 0.228 209 T C 0.837 175.470 174.700 -0.112 0.000 1.109 209 T CA 1.073 63.129 62.100 -0.074 0.000 1.349 209 T CB -0.899 67.940 68.868 -0.049 0.000 0.612 209 T HN 0.211 nan 8.240 nan 0.000 0.658 210 I N 0.940 121.404 120.570 -0.175 0.000 2.493 210 I HA 0.579 4.749 4.170 0.000 0.000 0.298 210 I C 0.081 176.131 176.117 -0.111 0.000 0.998 210 I CA -1.653 59.531 61.300 -0.195 0.000 1.137 210 I CB 1.694 39.471 38.000 -0.371 0.000 1.310 210 I HN 0.239 nan 8.210 nan 0.000 0.445 211 E N 5.934 126.093 120.200 -0.069 0.000 2.235 211 E HA 0.546 4.896 4.350 0.000 0.000 0.252 211 E C -1.802 174.780 176.600 -0.031 0.000 0.886 211 E CA -0.435 55.945 56.400 -0.034 0.000 0.767 211 E CB 1.765 31.467 29.700 0.003 0.000 1.205 211 E HN 0.561 nan 8.360 nan 0.000 0.421 212 L N 3.686 124.881 121.223 -0.046 0.000 2.385 212 L HA 0.896 5.236 4.340 0.000 0.000 0.273 212 L C -1.446 175.379 176.870 -0.075 0.000 0.990 212 L CA -0.421 54.392 54.840 -0.046 0.000 0.821 212 L CB 1.504 43.534 42.059 -0.048 0.000 1.279 212 L HN 0.642 nan 8.230 nan 0.000 0.412 213 A N 5.457 128.220 122.820 -0.095 0.000 2.469 213 A HA 0.872 5.192 4.320 0.000 0.000 0.299 213 A C -0.978 176.474 177.584 -0.219 0.000 1.098 213 A CA -0.668 51.233 52.037 -0.227 0.000 0.737 213 A CB 1.589 20.397 19.000 -0.320 0.000 1.312 213 A HN 0.807 nan 8.150 nan 0.000 0.414 214 I N -1.907 118.471 120.570 -0.321 0.000 3.108 214 I HA 0.757 4.927 4.170 0.000 0.000 0.312 214 I C -1.404 174.594 176.117 -0.198 0.000 1.095 214 I CA -1.138 60.047 61.300 -0.191 0.000 1.000 214 I CB 2.075 40.003 38.000 -0.121 0.000 1.229 214 I HN 0.311 nan 8.210 nan 0.000 0.454 215 I N 2.658 123.195 120.570 -0.055 0.000 2.493 215 I HA 0.401 4.571 4.170 0.000 0.000 0.279 215 I C 0.452 176.566 176.117 -0.005 0.000 1.045 215 I CA -0.184 61.127 61.300 0.020 0.000 1.106 215 I CB 0.832 38.896 38.000 0.107 0.000 1.216 215 I HN 1.029 nan 8.210 nan 0.000 0.459 216 G N 3.460 112.238 108.800 -0.036 0.000 3.581 216 G HA2 0.130 4.090 3.960 0.000 0.000 0.248 216 G HA3 0.130 4.090 3.960 0.000 0.000 0.248 216 G C 0.856 175.696 174.900 -0.100 0.000 1.037 216 G CA -0.127 44.935 45.100 -0.064 0.000 0.902 216 G HN 0.540 nan 8.290 nan 0.000 0.512 217 K N -1.541 118.894 120.400 0.059 0.000 3.577 217 K HA -0.157 4.163 4.320 0.000 0.000 0.300 217 K C 0.835 177.462 176.600 0.044 0.000 1.235 217 K CA 1.292 57.606 56.287 0.046 0.000 1.028 217 K CB -1.229 31.296 32.500 0.041 0.000 1.306 217 K HN 1.650 nan 8.250 nan 0.000 0.432 218 G N -0.530 108.303 108.800 0.056 0.000 2.428 218 G HA2 0.039 3.999 3.960 0.000 0.000 0.681 218 G HA3 0.039 3.999 3.960 0.000 0.000 0.681 218 G C -3.087 171.847 174.900 0.057 0.000 1.340 218 G CA -0.628 44.503 45.100 0.052 0.000 0.915 218 G HN -0.051 nan 8.290 nan 0.000 0.645 219 P HA 0.268 nan 4.420 nan 0.000 0.271 219 P C 0.329 177.672 177.300 0.072 0.000 1.216 219 P CA -0.171 62.965 63.100 0.060 0.000 0.776 219 P CB 1.063 32.800 31.700 0.061 0.000 0.881 220 R N 1.169 121.720 120.500 0.085 0.000 2.334 220 R HA 0.180 4.520 4.340 0.000 0.000 0.216 220 R C 0.481 176.847 176.300 0.110 0.000 0.905 220 R CA -0.069 56.070 56.100 0.066 0.000 1.064 220 R CB -0.052 30.270 30.300 0.037 0.000 1.046 220 R HN 0.459 nan 8.270 nan 0.000 0.508 221 F N 1.875 121.818 119.950 -0.012 0.000 2.411 221 F HA 0.329 4.856 4.527 0.000 0.000 0.355 221 F C -0.166 175.631 175.800 -0.005 0.000 1.117 221 F CA -0.574 57.422 58.000 -0.006 0.000 1.139 221 F CB 0.539 39.530 39.000 -0.014 0.000 1.120 221 F HN -0.320 nan 8.300 nan 0.000 0.493 222 R N 6.206 126.441 120.500 -0.442 0.000 2.575 222 R HA 0.251 4.591 4.340 0.000 0.000 0.293 222 R C -1.177 174.823 176.300 -0.501 0.000 0.983 222 R CA -0.960 54.953 56.100 -0.312 0.000 0.887 222 R CB 2.002 32.219 30.300 -0.139 0.000 1.184 222 R HN 0.700 nan 8.270 nan 0.000 0.445 223 K N 5.238 125.461 120.400 -0.296 0.000 2.258 223 K HA 0.278 4.598 4.320 0.000 0.000 0.284 223 K C -0.161 176.369 176.600 -0.117 0.000 1.051 223 K CA -0.408 55.755 56.287 -0.207 0.000 0.923 223 K CB 0.734 33.224 32.500 -0.017 0.000 1.046 223 K HN 0.511 nan 8.250 nan 0.000 0.474 224 L N 3.468 124.625 121.223 -0.111 0.000 2.439 224 L HA 0.112 4.452 4.340 0.000 0.000 0.269 224 L C 1.062 177.903 176.870 -0.048 0.000 1.179 224 L CA -0.246 54.550 54.840 -0.073 0.000 0.828 224 L CB 0.870 42.888 42.059 -0.069 0.000 1.106 224 L HN 0.809 nan 8.230 nan 0.000 0.467 225 T N -1.745 112.787 114.554 -0.036 0.000 2.874 225 T HA 0.092 4.442 4.350 0.000 0.000 0.281 225 T C 1.153 175.834 174.700 -0.033 0.000 0.994 225 T CA -0.339 61.745 62.100 -0.026 0.000 1.015 225 T CB 1.678 70.536 68.868 -0.018 0.000 1.028 225 T HN 0.585 nan 8.240 nan 0.000 0.523 226 S N 0.084 115.766 115.700 -0.030 0.000 2.368 226 S HA -0.249 4.221 4.470 0.000 0.000 0.226 226 S C 2.091 176.670 174.600 -0.036 0.000 1.044 226 S CA 2.072 60.249 58.200 -0.038 0.000 1.062 226 S CB -0.782 62.400 63.200 -0.030 0.000 0.931 226 S HN 0.848 nan 8.310 nan 0.000 0.440 227 Q N 1.018 120.803 119.800 -0.025 0.000 2.061 227 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 227 Q C 1.915 177.903 176.000 -0.021 0.000 0.984 227 Q CA 2.238 58.030 55.803 -0.020 0.000 0.846 227 Q CB -0.461 28.268 28.738 -0.014 0.000 0.902 227 Q HN 0.698 nan 8.270 nan 0.000 0.421 228 E N -0.448 119.738 120.200 -0.024 0.000 2.153 228 E HA -0.173 4.177 4.350 0.000 0.000 0.194 228 E C 2.007 178.593 176.600 -0.024 0.000 0.988 228 E CA 1.222 57.608 56.400 -0.023 0.000 0.811 228 E CB -0.172 29.512 29.700 -0.028 0.000 0.746 228 E HN 0.465 nan 8.360 nan 0.000 0.466 229 I N 1.439 121.987 120.570 -0.037 0.000 2.163 229 I HA -0.254 3.916 4.170 0.000 0.000 0.240 229 I C 2.051 178.150 176.117 -0.030 0.000 1.081 229 I CA 0.709 61.982 61.300 -0.046 0.000 1.353 229 I CB -0.345 37.601 38.000 -0.090 0.000 1.054 229 I HN 0.064 nan 8.210 nan 0.000 0.407 230 N N 1.167 119.846 118.700 -0.034 0.000 2.061 230 N HA -0.228 4.512 4.740 0.000 0.000 0.193 230 N C 1.368 176.884 175.510 0.009 0.000 1.030 230 N CA 1.690 54.733 53.050 -0.013 0.000 0.856 230 N CB -0.650 37.828 38.487 -0.014 0.000 1.023 230 N HN 0.307 nan 8.380 nan 0.000 0.424 231 D N 0.050 120.452 120.400 0.003 0.000 2.265 231 D HA -0.103 4.537 4.640 0.000 0.000 0.208 231 D C 1.721 178.031 176.300 0.017 0.000 0.977 231 D CA 0.836 54.840 54.000 0.006 0.000 0.871 231 D CB -0.001 40.797 40.800 -0.003 0.000 0.925 231 D HN 0.344 nan 8.370 nan 0.000 0.485 232 R N -0.842 119.677 120.500 0.032 0.000 2.254 232 R HA 0.268 4.608 4.340 0.000 0.000 0.193 232 R C 2.122 178.494 176.300 0.121 0.000 0.929 232 R CA -0.100 56.039 56.100 0.065 0.000 1.038 232 R CB 0.284 30.630 30.300 0.077 0.000 1.009 232 R HN 0.154 nan 8.270 nan 0.000 0.512 233 L N 0.977 122.258 121.223 0.096 0.000 2.072 233 L HA -0.103 4.237 4.340 0.000 0.000 0.205 233 L C 1.193 178.134 176.870 0.117 0.000 1.079 233 L CA 1.389 56.308 54.840 0.132 0.000 0.752 233 L CB -0.145 41.971 42.059 0.094 0.000 0.906 233 L HN 0.194 nan 8.230 nan 0.000 0.436 234 E N 0.042 120.288 120.200 0.075 0.000 2.461 234 E HA 0.035 4.385 4.350 0.000 0.000 0.196 234 E C 0.512 177.146 176.600 0.057 0.000 1.129 234 E CA 0.161 56.596 56.400 0.058 0.000 0.902 234 E CB 0.092 29.813 29.700 0.036 0.000 0.963 234 E HN 0.358 nan 8.360 nan 0.000 0.503 235 A N 1.306 124.175 122.820 0.082 0.000 2.992 235 A HA 0.172 4.492 4.320 0.000 0.000 0.263 235 A C -0.001 177.688 177.584 0.175 0.000 0.928 235 A CA -0.501 51.578 52.037 0.071 0.000 1.061 235 A CB 0.271 19.278 19.000 0.010 0.000 1.173 235 A HN 0.146 nan 8.150 nan 0.000 0.482 236 L N 0.000 121.325 121.223 0.169 0.000 2.949 236 L HA 0.000 4.340 4.340 0.000 0.000 0.249 236 L CA 0.000 54.953 54.840 0.189 0.000 0.813 236 L CB 0.000 42.120 42.059 0.102 0.000 0.961 236 L HN 0.000 nan 8.230 nan 0.000 0.502