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 3h3b_1_C DATA FIRST_RESID -2 DATA SEQUENCE QPADIVLTQT PSSLPVSVGE KVTMTcKSSQ TLLYSNNQKN YLAWYQQKPG DATA SEQUENCE QSPKLLISWA FTRKSGVPDR FTGSGSGTDF TLTIGSVKAE DLAVYYcQQY DATA SEQUENCE SNYPWTFGGG TRLEIXXXXX XXXXXXXXXX XXXXXXXEVQ LQQSGPEVVK DATA SEQUENCE TGASVKIScK ASGYSFTGYF INWVKKNSGK SPEWIGHISS SYATSTYNQK DATA SEQUENCE FKNKAAFTVD TSSSTAFMQL NSLTSEDSAV YYcVRSGNYE EYAMDYWGQG DATA SEQUENCE TSVTVS 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 -2 Q HA 0.000 nan 4.340 nan 0.000 0.214 -2 Q C 0.000 176.016 176.000 0.026 0.000 1.003 -2 Q CA 0.000 55.817 55.803 0.023 0.000 1.022 -2 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 -1 P HA 0.356 nan 4.420 nan 0.000 0.248 -1 P C -0.054 177.278 177.300 0.054 0.000 1.708 -1 P CA -0.132 62.997 63.100 0.047 0.000 1.062 -1 P CB 0.135 31.876 31.700 0.068 0.000 1.562 0 A N 0.761 123.606 122.820 0.042 0.000 2.520 0 A HA 0.085 4.405 4.320 0.001 0.000 0.235 0 A C 0.012 177.626 177.584 0.051 0.000 1.065 0 A CA -0.015 52.050 52.037 0.046 0.000 0.764 0 A CB -0.088 18.933 19.000 0.035 0.000 1.002 0 A HN 0.191 nan 8.150 nan 0.000 0.502 1 D N 0.802 121.241 120.400 0.065 0.000 2.458 1 D HA 0.225 4.866 4.640 0.001 0.000 0.243 1 D C 0.136 176.467 176.300 0.051 0.000 1.146 1 D CA 0.730 54.775 54.000 0.075 0.000 0.877 1 D CB 0.323 41.179 40.800 0.095 0.000 1.176 1 D HN 0.381 nan 8.370 nan 0.000 0.461 2 I N 1.931 122.523 120.570 0.037 0.000 2.371 2 I HA 0.080 4.250 4.170 0.001 0.000 0.290 2 I C 0.018 176.152 176.117 0.028 0.000 1.028 2 I CA -0.602 60.704 61.300 0.011 0.000 1.345 2 I CB 1.003 38.980 38.000 -0.039 0.000 1.407 2 I HN -0.067 nan 8.210 nan 0.000 0.501 3 V N 7.857 127.790 119.914 0.031 0.000 2.394 3 V HA 0.358 4.479 4.120 0.001 0.000 0.282 3 V C 0.057 176.173 176.094 0.037 0.000 1.031 3 V CA -0.563 61.765 62.300 0.046 0.000 0.881 3 V CB 1.517 33.372 31.823 0.053 0.000 0.982 3 V HN 0.459 nan 8.190 nan 0.000 0.451 4 L N 4.615 125.864 121.223 0.042 0.000 2.280 4 L HA 0.503 4.843 4.340 0.001 0.000 0.287 4 L C 0.110 177.022 176.870 0.071 0.000 1.023 4 L CA -0.164 54.697 54.840 0.035 0.000 0.819 4 L CB 1.679 43.731 42.059 -0.012 0.000 1.212 4 L HN 0.580 nan 8.230 nan 0.000 0.420 5 T N 2.928 117.527 114.554 0.076 0.000 2.743 5 T HA 0.319 4.670 4.350 0.001 0.000 0.292 5 T C -0.223 174.544 174.700 0.111 0.000 0.972 5 T CA -0.488 61.666 62.100 0.091 0.000 0.967 5 T CB 1.075 69.990 68.868 0.078 0.000 0.926 5 T HN 0.469 nan 8.240 nan 0.000 0.459 6 Q N 1.880 121.758 119.800 0.129 0.000 2.256 6 Q HA 0.564 4.904 4.340 0.001 0.000 0.257 6 Q C -0.581 175.503 176.000 0.140 0.000 0.936 6 Q CA -0.517 55.383 55.803 0.161 0.000 0.903 6 Q CB 1.719 30.575 28.738 0.197 0.000 1.263 6 Q HN 0.516 nan 8.270 nan 0.000 0.440 7 T N 3.988 118.629 114.554 0.144 0.000 2.971 7 T HA 0.453 4.804 4.350 0.001 0.000 0.304 7 T C -2.608 172.151 174.700 0.098 0.000 1.038 7 T CA -1.227 60.937 62.100 0.106 0.000 1.007 7 T CB 1.787 70.707 68.868 0.088 0.000 1.055 7 T HN 0.391 nan 8.240 nan 0.000 0.451 8 P HA 0.253 nan 4.420 nan 0.000 0.279 8 P C 0.777 178.121 177.300 0.074 0.000 1.252 8 P CA -0.472 62.666 63.100 0.064 0.000 0.811 8 P CB 0.975 32.701 31.700 0.043 0.000 1.035 9 S N -0.204 115.538 115.700 0.070 0.000 2.453 9 S HA 0.016 4.487 4.470 0.001 0.000 0.231 9 S C 0.827 175.462 174.600 0.059 0.000 1.005 9 S CA 0.588 58.832 58.200 0.074 0.000 0.949 9 S CB -0.372 62.873 63.200 0.074 0.000 0.774 9 S HN 0.515 nan 8.310 nan 0.000 0.510 10 S N -0.361 115.369 115.700 0.050 0.000 2.548 10 S HA 0.683 5.154 4.470 0.001 0.000 0.276 10 S C -1.548 173.072 174.600 0.034 0.000 1.129 10 S CA -0.824 57.401 58.200 0.041 0.000 0.931 10 S CB 1.534 64.755 63.200 0.035 0.000 1.068 10 S HN 0.445 nan 8.310 nan 0.000 0.480 11 L N 5.930 127.172 121.223 0.032 0.000 2.471 11 L HA 0.509 4.850 4.340 0.001 0.000 0.263 11 L C -2.388 174.491 176.870 0.015 0.000 0.985 11 L CA -2.048 52.803 54.840 0.019 0.000 0.868 11 L CB 2.249 44.313 42.059 0.009 0.000 1.203 11 L HN 0.483 nan 8.230 nan 0.000 0.429 12 P HA 0.104 nan 4.420 nan 0.000 0.267 12 P C -0.868 176.431 177.300 -0.001 0.000 1.209 12 P CA 0.130 63.234 63.100 0.008 0.000 0.763 12 P CB 1.207 32.911 31.700 0.007 0.000 0.816 13 V N 0.358 120.272 119.914 -0.001 0.000 3.040 13 V HA 0.760 4.881 4.120 0.001 0.000 0.312 13 V C -0.345 175.743 176.094 -0.010 0.000 1.115 13 V CA -0.859 61.434 62.300 -0.012 0.000 0.998 13 V CB 2.074 33.885 31.823 -0.019 0.000 1.042 13 V HN 0.431 nan 8.190 nan 0.000 0.433 14 S N 0.727 116.417 115.700 -0.017 0.000 2.607 14 S HA 0.713 5.184 4.470 0.001 0.000 0.303 14 S C -0.306 174.280 174.600 -0.023 0.000 1.086 14 S CA -0.651 57.540 58.200 -0.016 0.000 0.995 14 S CB 1.815 65.006 63.200 -0.015 0.000 1.084 14 S HN 0.876 nan 8.310 nan 0.000 0.507 15 V N 2.070 121.973 119.914 -0.019 0.000 2.617 15 V HA 0.374 4.494 4.120 0.001 0.000 0.304 15 V C 1.478 177.552 176.094 -0.032 0.000 1.040 15 V CA 1.487 63.773 62.300 -0.024 0.000 1.149 15 V CB -0.104 31.710 31.823 -0.015 0.000 0.914 15 V HN 1.322 nan 8.190 nan 0.000 0.487 16 G N 3.268 112.041 108.800 -0.045 0.000 2.194 16 G HA2 -0.191 3.769 3.960 0.001 0.000 0.236 16 G HA3 -0.191 3.769 3.960 0.001 0.000 0.236 16 G C 0.071 174.936 174.900 -0.059 0.000 0.987 16 G CA 0.093 45.163 45.100 -0.050 0.000 0.635 16 G HN 0.663 nan 8.290 nan 0.000 0.520 17 E N 0.621 120.784 120.200 -0.061 0.000 2.343 17 E HA 0.382 4.733 4.350 0.001 0.000 0.269 17 E C 0.293 176.838 176.600 -0.091 0.000 1.047 17 E CA -0.405 55.956 56.400 -0.066 0.000 0.874 17 E CB 0.948 30.615 29.700 -0.055 0.000 1.033 17 E HN 0.299 nan 8.360 nan 0.000 0.409 18 K N 2.075 122.423 120.400 -0.088 0.000 2.276 18 K HA 0.283 4.604 4.320 0.001 0.000 0.283 18 K C -1.167 175.368 176.600 -0.109 0.000 1.044 18 K CA -0.325 55.898 56.287 -0.108 0.000 0.944 18 K CB 1.001 33.447 32.500 -0.090 0.000 1.012 18 K HN 0.189 nan 8.250 nan 0.000 0.472 19 V N 3.433 123.260 119.914 -0.144 0.000 2.789 19 V HA 0.475 4.595 4.120 0.001 0.000 0.311 19 V C -1.317 174.681 176.094 -0.162 0.000 1.073 19 V CA -0.379 61.837 62.300 -0.141 0.000 0.921 19 V CB 2.596 34.328 31.823 -0.151 0.000 1.009 19 V HN 0.949 nan 8.190 nan 0.000 0.426 20 T N 7.362 121.841 114.554 -0.124 0.000 2.881 20 T HA 0.567 4.918 4.350 0.001 0.000 0.291 20 T C -0.532 174.116 174.700 -0.088 0.000 0.990 20 T CA -0.426 61.603 62.100 -0.119 0.000 0.976 20 T CB 1.118 69.942 68.868 -0.074 0.000 0.970 20 T HN 0.725 nan 8.240 nan 0.000 0.438 21 M N 1.212 120.742 119.600 -0.117 0.000 2.456 21 M HA 0.698 5.178 4.480 0.001 0.000 0.324 21 M C -0.801 175.562 176.300 0.106 0.000 1.124 21 M CA -0.758 54.532 55.300 -0.016 0.000 0.959 21 M CB 1.656 34.239 32.600 -0.029 0.000 1.692 21 M HN 0.246 nan 8.290 nan 0.000 0.444 22 T N 1.707 116.378 114.554 0.195 0.000 2.859 22 T HA 0.482 4.833 4.350 0.001 0.000 0.281 22 T C -1.131 173.775 174.700 0.343 0.000 1.005 22 T CA -0.531 61.720 62.100 0.252 0.000 1.025 22 T CB 1.407 70.363 68.868 0.148 0.000 0.977 22 T HN 0.836 nan 8.240 nan 0.000 0.458 23 c N 4.437 123.265 118.600 0.380 0.000 2.383 23 c HA 0.627 5.197 4.570 0.001 0.000 0.330 23 c C -0.486 173.743 174.090 0.232 0.000 1.168 23 c CA -0.790 55.687 56.329 0.245 0.000 1.374 23 c CB -0.460 42.077 42.510 0.045 0.000 2.014 23 c HN 0.900 nan 8.230 nan 0.000 0.439 24 K N 3.423 123.915 120.400 0.154 0.000 2.244 24 K HA 0.566 4.887 4.320 0.001 0.000 0.260 24 K C -0.500 176.162 176.600 0.104 0.000 0.951 24 K CA -0.019 56.345 56.287 0.129 0.000 0.826 24 K CB 1.810 34.361 32.500 0.086 0.000 1.108 24 K HN 0.692 nan 8.250 nan 0.000 0.433 25 S N 0.800 116.568 115.700 0.115 0.000 2.509 25 S HA 0.132 4.603 4.470 0.001 0.000 0.297 25 S C 0.991 175.620 174.600 0.048 0.000 1.118 25 S CA -0.636 57.609 58.200 0.076 0.000 1.074 25 S CB 1.220 64.484 63.200 0.106 0.000 1.038 25 S HN 0.666 nan 8.310 nan 0.000 0.498 26 S N 3.206 118.924 115.700 0.031 0.000 2.489 26 S HA 0.165 4.636 4.470 0.001 0.000 0.228 26 S C 0.503 175.111 174.600 0.014 0.000 0.995 26 S CA 0.190 58.404 58.200 0.023 0.000 0.934 26 S CB -0.207 63.008 63.200 0.024 0.000 0.771 26 S HN 0.754 nan 8.310 nan 0.000 0.522 27 Q N 0.387 120.193 119.800 0.009 0.000 2.389 27 Q HA 0.394 4.734 4.340 0.001 0.000 0.277 27 Q C -1.038 174.967 176.000 0.008 0.000 1.082 27 Q CA -0.499 55.303 55.803 -0.001 0.000 0.810 27 Q CB 2.191 30.917 28.738 -0.019 0.000 1.374 27 Q HN 0.225 nan 8.270 nan 0.000 0.422 28 T N 1.090 115.647 114.554 0.005 0.000 2.928 28 T HA 0.141 4.491 4.350 0.001 0.000 0.305 28 T C 0.691 175.397 174.700 0.010 0.000 1.035 28 T CA 0.323 62.437 62.100 0.023 0.000 1.145 28 T CB 0.162 69.035 68.868 0.008 0.000 0.963 28 T HN 0.469 nan 8.240 nan 0.000 0.545 29 L N 4.201 125.465 121.223 0.068 0.000 2.693 29 L HA 0.365 4.706 4.340 0.001 0.000 0.235 29 L C 0.553 177.449 176.870 0.044 0.000 1.127 29 L CA -0.372 54.458 54.840 -0.017 0.000 0.914 29 L CB 0.067 42.078 42.059 -0.081 0.000 1.193 29 L HN 0.457 nan 8.230 nan 0.000 0.502 30 L N 0.398 121.682 121.223 0.101 0.000 2.361 30 L HA 0.155 4.496 4.340 0.001 0.000 0.278 30 L C -0.587 176.344 176.870 0.101 0.000 1.113 30 L CA 0.080 54.996 54.840 0.126 0.000 0.849 30 L CB 0.205 42.322 42.059 0.097 0.000 1.155 30 L HN -0.085 nan 8.230 nan 0.000 0.452 31 Y N 3.343 123.626 120.300 -0.028 0.000 2.341 31 Y HA 0.228 4.779 4.550 0.001 0.000 0.340 31 Y C 1.479 177.360 175.900 -0.031 0.000 0.997 31 Y CA 0.057 58.099 58.100 -0.097 0.000 1.149 31 Y CB 1.350 39.723 38.460 -0.145 0.000 1.171 31 Y HN 0.863 nan 8.280 nan 0.000 0.494 32 S N 2.380 117.886 115.700 -0.323 0.000 2.453 32 S HA -0.138 4.333 4.470 0.001 0.000 0.231 32 S C 1.382 175.849 174.600 -0.222 0.000 1.005 32 S CA 0.969 59.038 58.200 -0.217 0.000 0.949 32 S CB -0.056 63.027 63.200 -0.195 0.000 0.774 32 S HN 0.723 nan 8.310 nan 0.000 0.510 33 N N 3.439 121.903 118.700 -0.392 0.000 2.188 33 N HA -0.048 4.693 4.740 0.001 0.000 0.184 33 N C 1.059 176.556 175.510 -0.022 0.000 1.018 33 N CA 1.594 54.524 53.050 -0.201 0.000 0.858 33 N CB -0.412 37.940 38.487 -0.225 0.000 0.989 33 N HN 0.851 nan 8.380 nan 0.000 0.426 34 N N -0.527 118.219 118.700 0.075 0.000 2.159 34 N HA 0.047 4.788 4.740 0.001 0.000 0.217 34 N C -0.400 175.139 175.510 0.049 0.000 1.223 34 N CA 0.024 53.122 53.050 0.080 0.000 0.896 34 N CB 0.184 38.738 38.487 0.113 0.000 1.064 34 N HN -0.239 nan 8.380 nan 0.000 0.518 35 Q N -0.391 119.446 119.800 0.062 0.000 2.461 35 Q HA -0.207 4.134 4.340 0.001 0.000 0.273 35 Q C -0.959 175.092 176.000 0.086 0.000 1.163 35 Q CA 1.066 56.907 55.803 0.064 0.000 0.929 35 Q CB -1.798 26.963 28.738 0.040 0.000 1.334 35 Q HN 0.658 nan 8.270 nan 0.000 0.499 36 K N 0.833 121.303 120.400 0.116 0.000 2.138 36 K HA 0.363 4.684 4.320 0.001 0.000 0.263 36 K C 0.170 176.917 176.600 0.246 0.000 0.965 36 K CA -0.671 55.654 56.287 0.065 0.000 0.868 36 K CB 0.925 33.284 32.500 -0.236 0.000 1.083 36 K HN 0.026 nan 8.250 nan 0.000 0.443 37 N N 2.448 121.251 118.700 0.173 0.000 2.422 37 N HA 0.099 4.839 4.740 0.001 0.000 0.266 37 N C -0.863 174.631 175.510 -0.027 0.000 1.007 37 N CA -0.199 52.947 53.050 0.160 0.000 0.941 37 N CB 0.665 39.283 38.487 0.218 0.000 1.115 37 N HN 0.412 nan 8.380 nan 0.000 0.492 38 Y N 2.245 122.262 120.300 -0.471 0.000 2.851 38 Y HA 0.202 4.752 4.550 0.001 0.000 0.369 38 Y C 0.245 175.218 175.900 -1.545 0.000 1.226 38 Y CA -0.158 57.211 58.100 -1.217 0.000 1.949 38 Y CB -0.057 37.659 38.460 -1.240 0.000 2.059 38 Y HN 0.289 nan 8.280 nan 0.000 0.420 39 L N 1.202 121.845 121.223 -0.966 0.000 2.408 39 L HA 0.898 5.239 4.340 0.001 0.000 0.268 39 L C -1.011 175.562 176.870 -0.495 0.000 0.986 39 L CA -0.596 53.754 54.840 -0.816 0.000 0.820 39 L CB 1.676 43.038 42.059 -1.163 0.000 1.303 39 L HN 0.232 nan 8.230 nan 0.000 0.411 40 A N 3.922 126.496 122.820 -0.410 0.000 2.423 40 A HA 0.803 5.124 4.320 0.001 0.000 0.304 40 A C -2.123 175.159 177.584 -0.503 0.000 1.104 40 A CA -0.522 51.282 52.037 -0.388 0.000 0.757 40 A CB 1.142 19.909 19.000 -0.389 0.000 1.313 40 A HN 0.732 nan 8.150 nan 0.000 0.423 41 W N -0.103 120.974 121.300 -0.373 0.000 2.606 41 W HA 0.677 5.338 4.660 0.001 0.000 0.332 41 W C -1.159 175.110 176.519 -0.416 0.000 1.052 41 W CA 0.118 57.343 57.345 -0.199 0.000 1.223 41 W CB 1.480 30.900 29.460 -0.065 0.000 1.383 41 W HN 0.594 nan 8.180 nan 0.000 0.524 42 Y N 1.132 121.646 120.300 0.356 0.000 2.462 42 Y HA 0.354 4.904 4.550 0.001 0.000 0.346 42 Y C -0.134 175.830 175.900 0.107 0.000 0.976 42 Y CA -1.341 56.875 58.100 0.194 0.000 1.044 42 Y CB 2.193 40.778 38.460 0.207 0.000 1.230 42 Y HN 0.293 nan 8.280 nan 0.000 0.455 43 Q N 2.890 122.711 119.800 0.035 0.000 2.331 43 Q HA 0.365 4.706 4.340 0.001 0.000 0.267 43 Q C -1.498 174.344 176.000 -0.264 0.000 1.006 43 Q CA -0.867 54.775 55.803 -0.269 0.000 0.818 43 Q CB 1.714 30.249 28.738 -0.339 0.000 1.276 43 Q HN 0.803 nan 8.270 nan 0.000 0.450 44 Q N 4.095 123.718 119.800 -0.295 0.000 2.363 44 Q HA 0.319 4.659 4.340 0.001 0.000 0.265 44 Q C -1.245 174.631 176.000 -0.207 0.000 1.032 44 Q CA -0.509 55.155 55.803 -0.232 0.000 0.746 44 Q CB 1.150 29.794 28.738 -0.156 0.000 1.237 44 Q HN 0.478 nan 8.270 nan 0.000 0.475 45 K N 3.770 124.070 120.400 -0.166 0.000 2.202 45 K HA 0.316 4.636 4.320 0.001 0.000 0.264 45 K C -2.398 174.162 176.600 -0.067 0.000 1.010 45 K CA -1.765 54.456 56.287 -0.110 0.000 0.940 45 K CB 0.436 32.890 32.500 -0.076 0.000 0.983 45 K HN 0.430 nan 8.250 nan 0.000 0.475 46 P HA -0.060 nan 4.420 nan 0.000 0.262 46 P C 0.515 177.810 177.300 -0.007 0.000 1.199 46 P CA 0.884 63.972 63.100 -0.018 0.000 0.763 46 P CB 0.385 32.079 31.700 -0.010 0.000 0.790 47 G N 2.045 110.847 108.800 0.004 0.000 2.199 47 G HA2 -0.244 3.716 3.960 0.001 0.000 0.254 47 G HA3 -0.244 3.716 3.960 0.001 0.000 0.254 47 G C 0.083 174.996 174.900 0.022 0.000 0.982 47 G CA -0.208 44.901 45.100 0.015 0.000 0.632 47 G HN 0.557 nan 8.290 nan 0.000 0.529 48 Q N 0.343 120.147 119.800 0.006 0.000 2.351 48 Q HA 0.641 4.982 4.340 0.001 0.000 0.273 48 Q C 0.469 176.463 176.000 -0.010 0.000 1.077 48 Q CA -0.087 55.718 55.803 0.004 0.000 0.843 48 Q CB 1.775 30.498 28.738 -0.026 0.000 1.367 48 Q HN 0.555 nan 8.270 nan 0.000 0.449 49 S N 0.909 116.617 115.700 0.013 0.000 2.592 49 S HA 0.418 4.889 4.470 0.001 0.000 0.271 49 S C -2.420 171.958 174.600 -0.370 0.000 1.326 49 S CA -1.222 56.926 58.200 -0.087 0.000 1.024 49 S CB 0.381 63.670 63.200 0.149 0.000 0.921 49 S HN 0.267 nan 8.310 nan 0.000 0.527 50 P HA 0.232 nan 4.420 nan 0.000 0.267 50 P C -0.715 176.138 177.300 -0.745 0.000 1.200 50 P CA -0.141 62.376 63.100 -0.972 0.000 0.772 50 P CB 0.305 30.882 31.700 -1.872 0.000 0.855 51 K N 1.602 121.807 120.400 -0.326 0.000 2.378 51 K HA 0.414 4.735 4.320 0.001 0.000 0.252 51 K C -0.846 175.782 176.600 0.046 0.000 0.931 51 K CA -1.179 55.053 56.287 -0.091 0.000 0.794 51 K CB 1.798 34.243 32.500 -0.092 0.000 1.181 51 K HN 0.245 nan 8.250 nan 0.000 0.425 52 L N 3.850 125.130 121.223 0.094 0.000 2.455 52 L HA 0.065 4.406 4.340 0.001 0.000 0.272 52 L C 0.243 177.000 176.870 -0.187 0.000 1.174 52 L CA 0.652 55.432 54.840 -0.100 0.000 0.869 52 L CB 0.123 42.105 42.059 -0.128 0.000 1.130 52 L HN 0.755 nan 8.230 nan 0.000 0.474 53 L N 5.040 126.123 121.223 -0.235 0.000 2.347 53 L HA 0.339 4.679 4.340 0.001 0.000 0.196 53 L C 0.115 176.895 176.870 -0.148 0.000 1.072 53 L CA 0.246 54.961 54.840 -0.208 0.000 0.817 53 L CB 0.169 42.097 42.059 -0.217 0.000 1.029 53 L HN 0.483 nan 8.230 nan 0.000 0.478 54 I N -0.573 119.919 120.570 -0.130 0.000 2.607 54 I HA 0.222 4.393 4.170 0.001 0.000 0.290 54 I C -0.594 175.422 176.117 -0.168 0.000 1.129 54 I CA -0.304 60.962 61.300 -0.057 0.000 1.042 54 I CB 2.326 40.386 38.000 0.100 0.000 1.242 54 I HN 0.014 nan 8.210 nan 0.000 0.421 55 S N 2.448 118.027 115.700 -0.202 0.000 2.648 55 S HA 0.679 5.150 4.470 0.001 0.000 0.305 55 S C -0.716 173.731 174.600 -0.255 0.000 1.094 55 S CA -0.541 57.428 58.200 -0.384 0.000 0.983 55 S CB 1.100 63.915 63.200 -0.642 0.000 1.101 55 S HN 0.859 nan 8.310 nan 0.000 0.514 56 W N -0.013 121.166 121.300 -0.202 0.000 3.653 56 W HA -0.149 4.511 4.660 0.000 0.000 0.339 56 W C 1.372 177.521 176.519 -0.618 0.000 1.296 56 W CA 0.541 57.655 57.345 -0.385 0.000 0.693 56 W CB -1.984 27.260 29.460 -0.360 0.000 2.388 56 W HN 1.678 nan 8.180 nan 0.000 1.300 57 A N -1.919 120.738 122.820 -0.273 0.000 3.292 57 A HA -0.380 3.941 4.320 0.001 0.000 0.241 57 A C 0.715 178.297 177.584 -0.003 0.000 0.569 57 A CA 2.624 54.566 52.037 -0.157 0.000 1.149 57 A CB -2.077 16.891 19.000 -0.053 0.000 1.321 57 A HN 1.309 nan 8.150 nan 0.000 0.679 58 F N -2.496 117.572 119.950 0.197 0.000 2.960 58 F HA 0.482 5.010 4.527 0.001 0.000 0.345 58 F C 0.240 176.114 175.800 0.124 0.000 1.147 58 F CA 0.163 58.255 58.000 0.154 0.000 1.099 58 F CB -0.643 38.437 39.000 0.134 0.000 1.219 58 F HN -0.006 nan 8.300 nan 0.000 0.525 59 T N 3.627 118.330 114.554 0.249 0.000 2.727 59 T HA 0.346 4.696 4.350 0.001 0.000 0.298 59 T C 0.371 175.144 174.700 0.122 0.000 0.942 59 T CA -0.352 61.890 62.100 0.237 0.000 0.997 59 T CB 0.571 69.595 68.868 0.261 0.000 0.917 59 T HN 0.131 nan 8.240 nan 0.000 0.487 60 R N 2.425 122.990 120.500 0.109 0.000 2.543 60 R HA 0.228 4.568 4.340 0.001 0.000 0.277 60 R C 0.635 176.946 176.300 0.018 0.000 1.074 60 R CA -0.484 55.643 56.100 0.045 0.000 1.076 60 R CB 0.865 31.197 30.300 0.055 0.000 0.993 60 R HN 0.502 nan 8.270 nan 0.000 0.459 61 K N 1.121 121.500 120.400 -0.036 0.000 2.355 61 K HA -0.020 4.300 4.320 0.001 0.000 0.270 61 K C -0.004 176.589 176.600 -0.012 0.000 1.003 61 K CA 0.112 56.371 56.287 -0.047 0.000 0.957 61 K CB 0.812 33.245 32.500 -0.112 0.000 0.939 61 K HN 0.426 nan 8.250 nan 0.000 0.482 62 S N 1.707 117.413 115.700 0.010 0.000 2.575 62 S HA 0.171 4.642 4.470 0.001 0.000 0.295 62 S C 0.963 175.578 174.600 0.025 0.000 1.267 62 S CA 1.242 59.460 58.200 0.031 0.000 1.074 62 S CB -0.361 62.870 63.200 0.051 0.000 0.829 62 S HN 0.877 nan 8.310 nan 0.000 0.497 63 G N 3.137 111.954 108.800 0.029 0.000 2.232 63 G HA2 -0.233 3.727 3.960 0.001 0.000 0.226 63 G HA3 -0.233 3.727 3.960 0.001 0.000 0.226 63 G C 0.112 175.026 174.900 0.024 0.000 0.996 63 G CA -0.084 45.033 45.100 0.029 0.000 0.626 63 G HN 0.982 nan 8.290 nan 0.000 0.509 64 V N 3.439 123.357 119.914 0.007 0.000 2.521 64 V HA 0.349 4.470 4.120 0.001 0.000 0.286 64 V C -1.183 174.956 176.094 0.076 0.000 1.034 64 V CA -0.791 61.506 62.300 -0.005 0.000 1.045 64 V CB 0.857 32.634 31.823 -0.077 0.000 0.974 64 V HN 0.212 nan 8.190 nan 0.000 0.480 65 P HA 0.023 nan 4.420 nan 0.000 0.265 65 P C 0.208 177.631 177.300 0.205 0.000 1.187 65 P CA 0.019 63.236 63.100 0.196 0.000 0.766 65 P CB 0.324 32.195 31.700 0.285 0.000 0.820 66 D N 1.768 122.232 120.400 0.107 0.000 2.378 66 D HA -0.128 4.512 4.640 0.001 0.000 0.227 66 D C 1.336 177.655 176.300 0.032 0.000 1.012 66 D CA 0.272 54.316 54.000 0.073 0.000 0.905 66 D CB -0.349 40.474 40.800 0.039 0.000 0.895 66 D HN 0.411 nan 8.370 nan 0.000 0.532 67 R N -0.064 120.437 120.500 0.002 0.000 2.193 67 R HA 0.050 4.391 4.340 0.001 0.000 0.213 67 R C -0.198 175.948 176.300 -0.257 0.000 1.055 67 R CA 0.108 56.119 56.100 -0.149 0.000 0.995 67 R CB -0.439 29.721 30.300 -0.234 0.000 0.893 67 R HN 0.066 nan 8.270 nan 0.000 0.459 68 F N 2.112 122.017 119.950 -0.076 0.000 2.421 68 F HA 0.271 4.799 4.527 0.002 0.000 0.358 68 F C -0.088 175.650 175.800 -0.103 0.000 1.115 68 F CA -0.016 57.913 58.000 -0.118 0.000 1.160 68 F CB 1.715 40.658 39.000 -0.095 0.000 1.123 68 F HN -0.149 nan 8.300 nan 0.000 0.508 69 T N 2.670 117.223 114.554 -0.001 0.000 2.840 69 T HA 0.523 4.873 4.350 0.001 0.000 0.287 69 T C 0.136 174.816 174.700 -0.034 0.000 0.991 69 T CA -0.870 61.229 62.100 -0.001 0.000 0.964 69 T CB 1.390 70.243 68.868 -0.025 0.000 0.954 69 T HN 0.760 nan 8.240 nan 0.000 0.438 70 G N 2.028 110.863 108.800 0.058 0.000 2.332 70 G HA2 0.606 4.567 3.960 0.001 0.000 0.310 70 G HA3 0.606 4.567 3.960 0.001 0.000 0.310 70 G C -0.275 174.789 174.900 0.272 0.000 1.123 70 G CA -0.505 44.675 45.100 0.134 0.000 0.873 70 G HN 0.834 nan 8.290 nan 0.000 0.460 71 S N 0.412 116.287 115.700 0.290 0.000 2.685 71 S HA 0.965 5.436 4.470 0.001 0.000 0.282 71 S C 0.028 174.837 174.600 0.348 0.000 1.159 71 S CA -0.115 58.264 58.200 0.299 0.000 0.833 71 S CB 1.768 65.052 63.200 0.139 0.000 1.151 71 S HN 2.473 nan 8.310 nan 0.000 0.485 72 G N -0.215 108.721 108.800 0.226 0.000 2.462 72 G HA2 0.396 4.357 3.960 0.001 0.000 0.685 72 G HA3 0.396 4.357 3.960 0.001 0.000 0.685 72 G C -0.591 174.261 174.900 -0.081 0.000 1.295 72 G CA -0.156 44.945 45.100 0.001 0.000 0.941 72 G HN 1.851 nan 8.290 nan 0.000 0.554 73 S N -1.335 114.054 115.700 -0.518 0.000 2.552 73 S HA 0.796 5.267 4.470 0.001 0.000 0.272 73 S C 1.129 175.422 174.600 -0.512 0.000 1.150 73 S CA 1.302 59.306 58.200 -0.327 0.000 0.849 73 S CB 0.985 64.154 63.200 -0.053 0.000 1.113 73 S HN 2.978 nan 8.310 nan 0.000 0.458 74 G N 2.565 111.282 108.800 -0.137 0.000 3.729 74 G HA2 -0.382 3.579 3.960 0.001 0.000 0.327 74 G HA3 -0.382 3.579 3.960 0.001 0.000 0.327 74 G C 1.035 175.928 174.900 -0.012 0.000 1.293 74 G CA 1.809 46.882 45.100 -0.045 0.000 1.011 74 G HN 1.962 nan 8.290 nan 0.000 0.673 75 T N -2.386 112.076 114.554 -0.153 0.000 2.975 75 T HA 0.392 4.743 4.350 0.001 0.000 0.257 75 T C 0.139 174.760 174.700 -0.130 0.000 1.003 75 T CA 1.026 63.108 62.100 -0.030 0.000 0.932 75 T CB 0.627 69.488 68.868 -0.012 0.000 1.087 75 T HN 0.444 nan 8.240 nan 0.000 0.512 76 D N 1.090 121.212 120.400 -0.464 0.000 2.344 76 D HA 0.572 5.213 4.640 0.001 0.000 0.239 76 D C -1.321 174.583 176.300 -0.660 0.000 1.064 76 D CA -0.220 53.570 54.000 -0.349 0.000 0.829 76 D CB 1.388 42.063 40.800 -0.207 0.000 1.129 76 D HN 0.243 nan 8.370 nan 0.000 0.506 77 F N 0.225 120.243 119.950 0.113 0.000 2.601 77 F HA 0.405 4.933 4.527 0.001 0.000 0.309 77 F C 0.415 176.392 175.800 0.295 0.000 1.089 77 F CA -0.739 57.380 58.000 0.199 0.000 0.940 77 F CB 2.301 41.414 39.000 0.187 0.000 1.273 77 F HN 0.043 nan 8.300 nan 0.000 0.450 78 T N 0.265 115.107 114.554 0.480 0.000 2.906 78 T HA 0.761 5.112 4.350 0.001 0.000 0.295 78 T C -1.765 172.962 174.700 0.045 0.000 1.061 78 T CA -0.792 61.475 62.100 0.278 0.000 1.000 78 T CB 2.066 70.997 68.868 0.105 0.000 1.103 78 T HN 0.543 nan 8.240 nan 0.000 0.486 79 L N 1.678 122.663 121.223 -0.397 0.000 2.356 79 L HA 0.728 5.069 4.340 0.001 0.000 0.277 79 L C -0.671 175.940 176.870 -0.431 0.000 0.996 79 L CA -0.024 54.373 54.840 -0.739 0.000 0.822 79 L CB 1.858 42.925 42.059 -1.654 0.000 1.256 79 L HN 0.973 nan 8.230 nan 0.000 0.413 80 T N 6.267 120.638 114.554 -0.305 0.000 2.807 80 T HA 0.621 4.972 4.350 0.001 0.000 0.279 80 T C -0.216 174.305 174.700 -0.297 0.000 0.993 80 T CA -0.152 61.800 62.100 -0.248 0.000 0.970 80 T CB 1.053 69.827 68.868 -0.157 0.000 0.950 80 T HN 0.426 nan 8.240 nan 0.000 0.441 81 I N 2.532 122.891 120.570 -0.352 0.000 2.330 81 I HA 0.340 4.511 4.170 0.001 0.000 0.289 81 I C 1.589 177.519 176.117 -0.312 0.000 1.001 81 I CA -0.699 60.322 61.300 -0.465 0.000 1.193 81 I CB 1.440 39.074 38.000 -0.611 0.000 1.345 81 I HN 0.839 nan 8.210 nan 0.000 0.461 82 G N 3.804 112.442 108.800 -0.270 0.000 2.480 82 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 82 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 82 G C 0.714 175.518 174.900 -0.160 0.000 1.200 82 G CA 0.668 45.661 45.100 -0.178 0.000 0.782 82 G HN 0.513 nan 8.290 nan 0.000 0.554 83 S N -0.223 115.371 115.700 -0.178 0.000 2.789 83 S HA 0.434 4.905 4.470 0.001 0.000 0.286 83 S C -0.324 174.178 174.600 -0.163 0.000 1.153 83 S CA -0.710 57.406 58.200 -0.139 0.000 1.084 83 S CB 0.908 64.049 63.200 -0.098 0.000 1.036 83 S HN 0.813 nan 8.310 nan 0.000 0.484 84 V N 3.088 122.909 119.914 -0.155 0.000 2.585 84 V HA 0.577 4.698 4.120 0.001 0.000 0.296 84 V C 0.074 176.118 176.094 -0.084 0.000 1.035 84 V CA -0.211 62.001 62.300 -0.147 0.000 1.084 84 V CB 0.131 31.885 31.823 -0.115 0.000 0.953 84 V HN 0.668 nan 8.190 nan 0.000 0.483 85 K N 3.640 124.004 120.400 -0.060 0.000 2.168 85 K HA 0.803 5.124 4.320 0.001 0.000 0.239 85 K C 1.138 177.748 176.600 0.016 0.000 0.999 85 K CA 0.012 56.291 56.287 -0.013 0.000 0.900 85 K CB 1.361 33.866 32.500 0.009 0.000 1.111 85 K HN 0.757 nan 8.250 nan 0.000 0.452 86 A N 1.154 123.985 122.820 0.020 0.000 1.972 86 A HA -0.188 4.132 4.320 0.001 0.000 0.219 86 A C 1.553 179.164 177.584 0.045 0.000 1.169 86 A CA 1.970 54.023 52.037 0.027 0.000 0.635 86 A CB -0.736 18.276 19.000 0.019 0.000 0.810 86 A HN 0.845 nan 8.150 nan 0.000 0.446 87 E N -0.359 119.875 120.200 0.057 0.000 2.338 87 E HA -0.166 4.185 4.350 0.001 0.000 0.197 87 E C 0.343 177.014 176.600 0.118 0.000 1.007 87 E CA 1.059 57.504 56.400 0.073 0.000 0.849 87 E CB -0.311 29.434 29.700 0.075 0.000 0.774 87 E HN 0.449 nan 8.360 nan 0.000 0.506 88 D N 1.064 121.559 120.400 0.158 0.000 2.363 88 D HA 0.038 4.679 4.640 0.001 0.000 0.220 88 D C 0.315 176.772 176.300 0.261 0.000 0.994 88 D CA 0.328 54.502 54.000 0.289 0.000 0.890 88 D CB 0.012 40.956 40.800 0.239 0.000 0.906 88 D HN 0.252 nan 8.370 nan 0.000 0.530 89 L N 1.192 122.495 121.223 0.134 0.000 2.600 89 L HA 0.299 4.639 4.340 0.001 0.000 0.278 89 L C 0.486 177.376 176.870 0.032 0.000 1.139 89 L CA -0.110 54.787 54.840 0.094 0.000 0.933 89 L CB -0.061 42.030 42.059 0.052 0.000 1.266 89 L HN -0.068 nan 8.230 nan 0.000 0.471 90 A N 3.083 125.907 122.820 0.007 0.000 2.511 90 A HA 0.719 5.040 4.320 0.001 0.000 0.293 90 A C -1.224 176.218 177.584 -0.236 0.000 1.098 90 A CA -0.565 51.363 52.037 -0.182 0.000 0.643 90 A CB 1.066 19.843 19.000 -0.371 0.000 1.302 90 A HN 0.109 nan 8.150 nan 0.000 0.446 91 V N 0.522 120.230 119.914 -0.344 0.000 2.481 91 V HA 0.481 4.601 4.120 0.001 0.000 0.286 91 V C -1.199 174.530 176.094 -0.608 0.000 1.042 91 V CA -0.098 61.975 62.300 -0.378 0.000 0.928 91 V CB 0.723 32.304 31.823 -0.404 0.000 0.986 91 V HN 0.647 nan 8.190 nan 0.000 0.462 92 Y N 3.657 123.798 120.300 -0.265 0.000 2.328 92 Y HA 0.585 5.135 4.550 0.001 0.000 0.337 92 Y C -0.484 175.393 175.900 -0.039 0.000 0.966 92 Y CA -0.550 57.517 58.100 -0.056 0.000 1.136 92 Y CB 1.333 39.852 38.460 0.098 0.000 1.170 92 Y HN 0.537 nan 8.280 nan 0.000 0.470 93 Y N 2.379 122.948 120.300 0.448 0.000 2.335 93 Y HA 0.463 5.013 4.550 0.001 0.000 0.338 93 Y C 0.391 176.460 175.900 0.283 0.000 0.977 93 Y CA -1.291 57.035 58.100 0.377 0.000 1.114 93 Y CB 1.096 39.784 38.460 0.381 0.000 1.182 93 Y HN 0.717 nan 8.280 nan 0.000 0.463 94 c N 2.647 121.262 118.600 0.025 0.000 2.459 94 c HA 0.715 5.285 4.570 0.001 0.000 0.374 94 c C -0.416 173.524 174.090 -0.251 0.000 1.241 94 c CA -0.470 55.482 56.329 -0.629 0.000 2.352 94 c CB 1.172 42.911 42.510 -1.284 0.000 2.490 94 c HN 0.837 nan 8.230 nan 0.000 0.583 95 Q N 1.681 121.243 119.800 -0.398 0.000 2.320 95 Q HA 0.404 4.744 4.340 0.001 0.000 0.272 95 Q C -1.607 174.120 176.000 -0.456 0.000 1.023 95 Q CA 0.028 55.576 55.803 -0.425 0.000 0.855 95 Q CB 2.362 30.843 28.738 -0.428 0.000 1.367 95 Q HN 1.025 nan 8.270 nan 0.000 0.406 96 Q N 1.961 121.471 119.800 -0.482 0.000 2.282 96 Q HA 0.493 4.834 4.340 0.001 0.000 0.260 96 Q C -1.059 174.514 176.000 -0.711 0.000 0.964 96 Q CA -0.378 55.082 55.803 -0.572 0.000 0.880 96 Q CB 0.899 29.361 28.738 -0.459 0.000 1.286 96 Q HN 0.612 nan 8.270 nan 0.000 0.445 97 Y N 0.237 119.969 120.300 -0.946 0.000 2.698 97 Y HA 0.495 5.046 4.550 0.001 0.000 0.261 97 Y C 0.899 176.268 175.900 -0.885 0.000 1.104 97 Y CA -0.392 56.734 58.100 -1.622 0.000 1.145 97 Y CB 0.137 37.467 38.460 -1.883 0.000 1.191 97 Y HN 0.660 nan 8.280 nan 0.000 0.564 98 S N 0.466 115.733 115.700 -0.722 0.000 2.404 98 S HA 0.184 4.654 4.470 0.001 0.000 0.223 98 S C 0.407 174.754 174.600 -0.422 0.000 1.040 98 S CA 0.484 58.316 58.200 -0.615 0.000 0.957 98 S CB -0.006 62.878 63.200 -0.526 0.000 0.826 98 S HN 0.506 nan 8.310 nan 0.000 0.491 99 N N -0.582 117.939 118.700 -0.299 0.000 2.329 99 N HA 0.305 5.046 4.740 0.001 0.000 0.282 99 N C -1.903 173.593 175.510 -0.023 0.000 1.198 99 N CA -0.461 52.481 53.050 -0.179 0.000 0.790 99 N CB 1.474 39.897 38.487 -0.107 0.000 1.579 99 N HN 0.267 nan 8.380 nan 0.000 0.475 100 Y N 1.131 121.479 120.300 0.081 0.000 2.359 100 Y HA 0.206 4.756 4.550 0.001 0.000 0.330 100 Y C -1.337 174.609 175.900 0.078 0.000 1.143 100 Y CA -1.351 56.772 58.100 0.038 0.000 1.318 100 Y CB 0.592 39.083 38.460 0.052 0.000 1.234 100 Y HN 0.264 nan 8.280 nan 0.000 0.522 101 P HA -0.007 nan 4.420 nan 0.000 0.277 101 P C -1.086 176.277 177.300 0.106 0.000 1.240 101 P CA -0.574 62.706 63.100 0.299 0.000 0.798 101 P CB 0.731 32.732 31.700 0.501 0.000 0.979 102 W N 1.770 122.609 121.300 -0.769 0.000 2.223 102 W HA 0.257 4.917 4.660 0.001 0.000 0.334 102 W C 0.882 177.235 176.519 -0.277 0.000 1.334 102 W CA 0.267 57.167 57.345 -0.741 0.000 1.246 102 W CB -0.677 27.956 29.460 -1.378 0.000 1.184 102 W HN 0.322 nan 8.180 nan 0.000 0.563 103 T N 0.142 114.674 114.554 -0.037 0.000 2.906 103 T HA 0.787 5.137 4.350 0.001 0.000 0.295 103 T C -1.008 173.629 174.700 -0.105 0.000 1.075 103 T CA -0.883 61.267 62.100 0.083 0.000 1.005 103 T CB 1.754 70.685 68.868 0.106 0.000 1.136 103 T HN 0.027 nan 8.240 nan 0.000 0.498 104 F N -0.025 119.968 119.950 0.072 0.000 2.523 104 F HA 0.712 5.240 4.527 0.001 0.000 0.329 104 F C 1.168 177.007 175.800 0.065 0.000 1.061 104 F CA -0.561 57.468 58.000 0.049 0.000 0.967 104 F CB 1.696 40.697 39.000 0.001 0.000 1.218 104 F HN 1.008 nan 8.300 nan 0.000 0.480 105 G N -0.079 108.885 108.800 0.273 0.000 2.599 105 G HA2 0.388 4.349 3.960 0.001 0.000 0.264 105 G HA3 0.388 4.349 3.960 0.001 0.000 0.264 105 G C 0.946 176.049 174.900 0.338 0.000 1.200 105 G CA -0.276 44.963 45.100 0.232 0.000 0.896 105 G HN 0.938 nan 8.290 nan 0.000 0.536 106 G N -1.101 107.855 108.800 0.261 0.000 2.559 106 G HA2 0.437 4.397 3.960 0.001 0.000 0.216 106 G HA3 0.437 4.397 3.960 0.001 0.000 0.216 106 G C 1.054 176.149 174.900 0.326 0.000 1.126 106 G CA 0.998 46.257 45.100 0.264 0.000 0.778 106 G HN 1.993 nan 8.290 nan 0.000 0.543 107 G N -1.866 107.129 108.800 0.324 0.000 2.705 107 G HA2 0.065 4.025 3.960 0.001 0.000 0.686 107 G HA3 0.065 4.025 3.960 0.001 0.000 0.686 107 G C -0.486 174.451 174.900 0.061 0.000 1.285 107 G CA -0.319 44.829 45.100 0.080 0.000 0.800 107 G HN 0.584 nan 8.290 nan 0.000 0.611 108 T N 1.968 116.549 114.554 0.044 0.000 2.809 108 T HA 0.513 4.864 4.350 0.001 0.000 0.296 108 T C 0.583 175.325 174.700 0.071 0.000 1.015 108 T CA -0.529 61.626 62.100 0.091 0.000 0.954 108 T CB 1.066 70.021 68.868 0.145 0.000 0.950 108 T HN 0.672 nan 8.240 nan 0.000 0.450 109 R N 3.442 123.967 120.500 0.042 0.000 2.216 109 R HA 0.386 4.727 4.340 0.001 0.000 0.332 109 R C -0.894 175.446 176.300 0.067 0.000 1.056 109 R CA -0.682 55.438 56.100 0.033 0.000 0.901 109 R CB 0.227 30.537 30.300 0.017 0.000 1.039 109 R HN 0.366 nan 8.270 nan 0.000 0.456 110 L N 5.467 126.754 121.223 0.107 0.000 2.264 110 L HA 0.268 4.609 4.340 0.001 0.000 0.289 110 L C -0.554 176.357 176.870 0.068 0.000 1.044 110 L CA 0.281 55.185 54.840 0.107 0.000 0.807 110 L CB 1.084 43.267 42.059 0.207 0.000 1.192 110 L HN 0.663 nan 8.230 nan 0.000 0.425 111 E N 5.052 125.278 120.200 0.043 0.000 2.340 111 E HA 0.492 4.842 4.350 0.001 0.000 0.273 111 E C -0.488 176.124 176.600 0.021 0.000 0.891 111 E CA -0.933 55.485 56.400 0.029 0.000 0.757 111 E CB 1.981 31.695 29.700 0.023 0.000 1.231 111 E HN 0.520 nan 8.360 nan 0.000 0.439 136 V N 2.840 122.589 119.914 -0.275 0.000 2.479 136 V HA 0.252 4.373 4.120 0.001 0.000 0.281 136 V C -0.162 175.759 176.094 -0.289 0.000 1.031 136 V CA 0.546 62.612 62.300 -0.390 0.000 1.038 136 V CB 0.529 31.735 31.823 -1.029 0.000 0.981 136 V HN 0.219 nan 8.190 nan 0.000 0.478 137 Q N 4.633 124.378 119.800 -0.092 0.000 2.359 137 Q HA 0.624 4.965 4.340 0.001 0.000 0.274 137 Q C -1.760 174.252 176.000 0.020 0.000 1.074 137 Q CA -0.810 54.974 55.803 -0.033 0.000 0.810 137 Q CB 2.356 31.080 28.738 -0.022 0.000 1.342 137 Q HN 0.695 nan 8.270 nan 0.000 0.427 138 L N 3.359 124.600 121.223 0.028 0.000 2.388 138 L HA 0.412 4.753 4.340 0.001 0.000 0.267 138 L C -0.626 176.253 176.870 0.014 0.000 0.995 138 L CA -0.339 54.513 54.840 0.021 0.000 0.864 138 L CB 1.914 43.980 42.059 0.012 0.000 1.216 138 L HN 0.539 nan 8.230 nan 0.000 0.430 139 Q N 3.523 123.317 119.800 -0.009 0.000 2.360 139 Q HA 0.311 4.651 4.340 0.001 0.000 0.254 139 Q C -0.816 175.178 176.000 -0.010 0.000 0.975 139 Q CA -0.397 55.404 55.803 -0.004 0.000 0.912 139 Q CB 1.082 29.811 28.738 -0.015 0.000 1.212 139 Q HN 0.533 nan 8.270 nan 0.000 0.452 140 Q N 1.208 121.017 119.800 0.015 0.000 2.227 140 Q HA 0.302 4.643 4.340 0.001 0.000 0.245 140 Q C -0.125 175.896 176.000 0.034 0.000 0.926 140 Q CA -0.559 55.264 55.803 0.033 0.000 0.895 140 Q CB 1.514 30.287 28.738 0.058 0.000 1.230 140 Q HN 0.751 nan 8.270 nan 0.000 0.450 141 S N 0.198 115.927 115.700 0.048 0.000 2.589 141 S HA 0.326 4.797 4.470 0.001 0.000 0.265 141 S C 0.588 175.212 174.600 0.040 0.000 1.342 141 S CA -0.574 57.653 58.200 0.045 0.000 1.005 141 S CB 0.548 63.785 63.200 0.061 0.000 0.909 141 S HN 0.716 nan 8.310 nan 0.000 0.555 142 G N 0.861 109.680 108.800 0.032 0.000 2.684 142 G HA2 0.436 4.397 3.960 0.001 0.000 0.255 142 G HA3 0.436 4.397 3.960 0.001 0.000 0.255 142 G C -2.394 172.522 174.900 0.027 0.000 1.219 142 G CA -1.308 43.808 45.100 0.026 0.000 0.901 142 G HN 0.678 nan 8.290 nan 0.000 0.548 143 P HA 0.137 nan 4.420 nan 0.000 0.267 143 P C -0.686 176.629 177.300 0.024 0.000 1.200 143 P CA 0.253 63.368 63.100 0.025 0.000 0.772 143 P CB 0.970 32.682 31.700 0.020 0.000 0.855 144 E N 1.295 121.512 120.200 0.028 0.000 2.185 144 E HA 0.319 4.670 4.350 0.001 0.000 0.261 144 E C -0.911 175.703 176.600 0.022 0.000 0.879 144 E CA -0.819 55.593 56.400 0.020 0.000 0.756 144 E CB 2.186 31.894 29.700 0.012 0.000 1.152 144 E HN 0.140 nan 8.360 nan 0.000 0.416 145 V N 3.799 123.722 119.914 0.016 0.000 2.313 145 V HA 0.375 4.496 4.120 0.001 0.000 0.278 145 V C 0.333 176.433 176.094 0.009 0.000 1.017 145 V CA -0.756 61.553 62.300 0.015 0.000 0.823 145 V CB 0.943 32.774 31.823 0.014 0.000 1.010 145 V HN 0.446 nan 8.190 nan 0.000 0.443 146 V N 2.049 121.969 119.914 0.010 0.000 3.141 146 V HA 0.707 4.828 4.120 0.001 0.000 0.312 146 V C -0.392 175.705 176.094 0.004 0.000 1.157 146 V CA -1.253 61.049 62.300 0.003 0.000 1.041 146 V CB 2.095 33.915 31.823 -0.005 0.000 1.071 146 V HN 0.646 nan 8.190 nan 0.000 0.441 147 K N 0.103 120.502 120.400 -0.001 0.000 2.109 147 K HA 0.531 4.852 4.320 0.001 0.000 0.243 147 K C -0.143 176.456 176.600 -0.002 0.000 1.006 147 K CA -0.546 55.740 56.287 -0.001 0.000 0.917 147 K CB 1.052 33.550 32.500 -0.004 0.000 1.081 147 K HN 0.827 nan 8.250 nan 0.000 0.468 148 T N 0.888 115.441 114.554 -0.001 0.000 2.853 148 T HA 0.208 4.559 4.350 0.001 0.000 0.298 148 T C 1.055 175.749 174.700 -0.009 0.000 0.978 148 T CA 1.089 63.187 62.100 -0.002 0.000 1.152 148 T CB 0.447 69.315 68.868 -0.000 0.000 0.914 148 T HN 0.872 nan 8.240 nan 0.000 0.539 149 G N 2.087 110.879 108.800 -0.013 0.000 2.213 149 G HA2 -0.084 3.877 3.960 0.001 0.000 0.236 149 G HA3 -0.084 3.877 3.960 0.001 0.000 0.236 149 G C 0.351 175.236 174.900 -0.025 0.000 0.991 149 G CA -0.037 45.051 45.100 -0.019 0.000 0.629 149 G HN 1.088 nan 8.290 nan 0.000 0.517 150 A N -0.118 122.689 122.820 -0.023 0.000 2.267 150 A HA 0.852 5.173 4.320 0.001 0.000 0.271 150 A C 0.697 178.258 177.584 -0.038 0.000 1.131 150 A CA 0.973 52.993 52.037 -0.028 0.000 0.818 150 A CB 0.716 19.703 19.000 -0.023 0.000 1.118 150 A HN 1.037 nan 8.150 nan 0.000 0.501 151 S N -2.075 113.597 115.700 -0.046 0.000 2.648 151 S HA 0.679 5.150 4.470 0.001 0.000 0.305 151 S C -1.063 173.499 174.600 -0.064 0.000 1.094 151 S CA -0.459 57.704 58.200 -0.062 0.000 0.983 151 S CB 1.705 64.864 63.200 -0.068 0.000 1.101 151 S HN 1.233 nan 8.310 nan 0.000 0.514 152 V N 1.725 121.587 119.914 -0.086 0.000 2.932 152 V HA 0.612 4.733 4.120 0.001 0.000 0.307 152 V C -1.571 174.459 176.094 -0.105 0.000 1.147 152 V CA -0.641 61.607 62.300 -0.086 0.000 0.951 152 V CB 2.003 33.771 31.823 -0.091 0.000 1.031 152 V HN 0.823 nan 8.190 nan 0.000 0.426 153 K N 6.750 127.111 120.400 -0.066 0.000 2.527 153 K HA 0.564 4.884 4.320 0.001 0.000 0.240 153 K C -0.992 175.629 176.600 0.034 0.000 0.989 153 K CA -0.541 55.724 56.287 -0.036 0.000 0.985 153 K CB 0.899 33.383 32.500 -0.027 0.000 1.221 153 K HN 0.712 nan 8.250 nan 0.000 0.458 154 I N 3.316 123.867 120.570 -0.032 0.000 2.416 154 I HA 0.044 4.214 4.170 0.001 0.000 0.288 154 I C 0.616 176.820 176.117 0.144 0.000 1.051 154 I CA -0.196 61.123 61.300 0.030 0.000 1.375 154 I CB 1.358 39.340 38.000 -0.029 0.000 1.407 154 I HN 0.554 nan 8.210 nan 0.000 0.516 155 S N 5.420 121.211 115.700 0.152 0.000 2.617 155 S HA 0.542 5.013 4.470 0.001 0.000 0.283 155 S C -0.581 174.027 174.600 0.013 0.000 1.189 155 S CA -0.748 57.416 58.200 -0.059 0.000 1.036 155 S CB 1.849 64.999 63.200 -0.084 0.000 1.014 155 S HN 0.769 nan 8.310 nan 0.000 0.522 156 c N 3.291 121.812 118.600 -0.131 0.000 2.547 156 c HA 0.658 5.229 4.570 0.001 0.000 0.327 156 c C -0.607 173.376 174.090 -0.178 0.000 1.076 156 c CA -0.635 55.636 56.329 -0.097 0.000 1.390 156 c CB -0.300 42.120 42.510 -0.150 0.000 1.918 156 c HN 1.067 nan 8.230 nan 0.000 0.438 157 K N 4.361 124.672 120.400 -0.149 0.000 2.276 157 K HA 0.704 5.025 4.320 0.001 0.000 0.285 157 K C -0.037 176.492 176.600 -0.118 0.000 1.062 157 K CA 0.144 56.330 56.287 -0.169 0.000 0.918 157 K CB 0.963 33.383 32.500 -0.134 0.000 1.055 157 K HN 0.812 nan 8.250 nan 0.000 0.477 158 A N 3.474 126.201 122.820 -0.155 0.000 2.306 158 A HA 0.658 4.978 4.320 0.001 0.000 0.314 158 A C -0.781 176.690 177.584 -0.189 0.000 1.164 158 A CA -0.312 51.675 52.037 -0.082 0.000 0.822 158 A CB 0.550 19.568 19.000 0.030 0.000 1.130 158 A HN 0.914 nan 8.150 nan 0.000 0.496 159 S N 0.198 115.826 115.700 -0.120 0.000 2.550 159 S HA 0.706 5.177 4.470 0.001 0.000 0.270 159 S C 0.316 174.887 174.600 -0.049 0.000 1.145 159 S CA 0.138 58.258 58.200 -0.134 0.000 0.852 159 S CB 1.194 64.343 63.200 -0.086 0.000 1.119 159 S HN 2.616 nan 8.310 nan 0.000 0.465 160 G N 0.266 109.029 108.800 -0.062 0.000 2.157 160 G HA2 -0.091 3.870 3.960 0.001 0.000 0.248 160 G HA3 -0.091 3.870 3.960 0.001 0.000 0.248 160 G C -0.317 174.639 174.900 0.095 0.000 0.979 160 G CA 0.846 45.949 45.100 0.005 0.000 0.650 160 G HN 2.184 nan 8.290 nan 0.000 0.529 161 Y N -1.978 118.276 120.300 -0.078 0.000 2.656 161 Y HA 0.758 5.310 4.550 0.002 0.000 0.334 161 Y C -0.136 175.784 175.900 0.034 0.000 1.179 161 Y CA -1.035 57.033 58.100 -0.054 0.000 1.050 161 Y CB 0.700 39.041 38.460 -0.200 0.000 1.308 161 Y HN 0.551 nan 8.280 nan 0.000 0.456 162 S N 2.357 118.172 115.700 0.191 0.000 2.457 162 S HA 0.070 4.541 4.470 0.001 0.000 0.294 162 S C 0.647 175.356 174.600 0.181 0.000 1.201 162 S CA -0.347 57.941 58.200 0.146 0.000 1.112 162 S CB -0.660 62.662 63.200 0.204 0.000 1.018 162 S HN 0.668 nan 8.310 nan 0.000 0.511 163 F N 5.035 124.860 119.950 -0.210 0.000 2.126 163 F HA -0.115 4.412 4.527 -0.001 0.000 0.299 163 F C 2.509 178.339 175.800 0.051 0.000 1.096 163 F CA 2.295 60.174 58.000 -0.201 0.000 1.255 163 F CB -0.829 38.017 39.000 -0.257 0.000 0.997 163 F HN 0.701 nan 8.300 nan 0.000 0.479 164 T N -2.637 111.891 114.554 -0.043 0.000 3.072 164 T HA 0.076 4.427 4.350 0.001 0.000 0.266 164 T C 2.059 176.656 174.700 -0.172 0.000 1.127 164 T CA 0.670 62.669 62.100 -0.167 0.000 1.107 164 T CB -0.949 67.898 68.868 -0.035 0.000 0.910 164 T HN 0.318 nan 8.240 nan 0.000 0.513 165 G N -0.598 108.176 108.800 -0.042 0.000 2.920 165 G HA2 0.297 4.258 3.960 0.001 0.000 0.208 165 G HA3 0.297 4.258 3.960 0.001 0.000 0.208 165 G C -0.202 174.420 174.900 -0.464 0.000 1.159 165 G CA -0.137 44.856 45.100 -0.178 0.000 0.784 165 G HN 0.554 nan 8.290 nan 0.000 0.535 166 Y N -1.827 118.319 120.300 -0.258 0.000 2.605 166 Y HA 0.633 5.183 4.550 0.000 0.000 0.343 166 Y C -0.522 175.077 175.900 -0.502 0.000 1.036 166 Y CA -1.482 56.465 58.100 -0.255 0.000 1.065 166 Y CB 1.551 39.966 38.460 -0.075 0.000 1.288 166 Y HN -0.099 nan 8.280 nan 0.000 0.481 167 F N 1.857 121.743 119.950 -0.107 0.000 2.399 167 F HA 0.484 5.013 4.527 0.003 0.000 0.328 167 F C -0.255 175.410 175.800 -0.224 0.000 1.084 167 F CA -0.843 57.010 58.000 -0.245 0.000 1.053 167 F CB 0.856 39.620 39.000 -0.392 0.000 1.209 167 F HN 0.036 nan 8.300 nan 0.000 0.502 168 I N 2.684 123.193 120.570 -0.103 0.000 2.354 168 I HA 0.247 4.418 4.170 0.001 0.000 0.286 168 I C -0.875 175.028 176.117 -0.357 0.000 1.007 168 I CA -0.799 60.344 61.300 -0.262 0.000 1.167 168 I CB 0.857 38.686 38.000 -0.285 0.000 1.320 168 I HN 0.549 nan 8.210 nan 0.000 0.458 169 N N 5.769 124.245 118.700 -0.373 0.000 2.498 169 N HA 0.445 5.186 4.740 0.001 0.000 0.287 169 N C -1.267 173.866 175.510 -0.628 0.000 1.097 169 N CA -0.250 52.600 53.050 -0.333 0.000 0.973 169 N CB 0.999 39.473 38.487 -0.022 0.000 1.153 169 N HN 0.349 nan 8.380 nan 0.000 0.472 170 W N 0.914 121.925 121.300 -0.482 0.000 2.587 170 W HA 0.637 5.298 4.660 0.000 0.000 0.324 170 W C -0.863 175.517 176.519 -0.231 0.000 1.040 170 W CA -0.688 56.467 57.345 -0.316 0.000 1.222 170 W CB 1.198 30.478 29.460 -0.300 0.000 1.381 170 W HN 0.019 nan 8.180 nan 0.000 0.483 171 V N 3.208 123.221 119.914 0.165 0.000 2.709 171 V HA 0.385 4.505 4.120 0.001 0.000 0.308 171 V C -0.441 175.768 176.094 0.191 0.000 1.062 171 V CA -1.606 60.780 62.300 0.144 0.000 0.901 171 V CB 1.839 33.739 31.823 0.127 0.000 1.003 171 V HN 0.418 nan 8.190 nan 0.000 0.425 172 K N 3.319 123.732 120.400 0.022 0.000 2.185 172 K HA 0.632 4.953 4.320 0.001 0.000 0.269 172 K C -0.862 175.668 176.600 -0.116 0.000 0.987 172 K CA -0.718 55.467 56.287 -0.169 0.000 0.865 172 K CB 1.073 33.494 32.500 -0.132 0.000 1.090 172 K HN 0.533 nan 8.250 nan 0.000 0.450 173 K N 3.424 123.734 120.400 -0.150 0.000 2.545 173 K HA 0.321 4.642 4.320 0.001 0.000 0.252 173 K C -1.259 175.287 176.600 -0.089 0.000 0.948 173 K CA -0.584 55.661 56.287 -0.071 0.000 0.827 173 K CB 0.959 33.517 32.500 0.097 0.000 1.128 173 K HN 0.571 nan 8.250 nan 0.000 0.429 174 N N 0.910 119.572 118.700 -0.062 0.000 2.472 174 N HA 0.231 4.971 4.740 0.001 0.000 0.289 174 N C -0.943 174.565 175.510 -0.002 0.000 1.156 174 N CA -0.439 52.592 53.050 -0.032 0.000 0.940 174 N CB 1.602 40.082 38.487 -0.012 0.000 1.200 174 N HN 0.715 nan 8.380 nan 0.000 0.511 175 S N -0.515 115.190 115.700 0.008 0.000 2.544 175 S HA 0.252 4.723 4.470 0.001 0.000 0.290 175 S C 1.247 175.866 174.600 0.032 0.000 1.276 175 S CA 0.122 58.336 58.200 0.023 0.000 1.075 175 S CB 0.252 63.464 63.200 0.020 0.000 0.849 175 S HN 0.866 nan 8.310 nan 0.000 0.494 176 G N 2.190 111.019 108.800 0.047 0.000 2.153 176 G HA2 -0.255 3.706 3.960 0.001 0.000 0.252 176 G HA3 -0.255 3.706 3.960 0.001 0.000 0.252 176 G C -0.141 174.799 174.900 0.068 0.000 0.994 176 G CA 0.563 45.698 45.100 0.058 0.000 0.698 176 G HN 0.814 nan 8.290 nan 0.000 0.521 177 K N 0.009 120.446 120.400 0.063 0.000 2.443 177 K HA 0.616 4.936 4.320 0.001 0.000 0.251 177 K C 0.445 177.071 176.600 0.043 0.000 0.972 177 K CA -0.180 56.144 56.287 0.061 0.000 0.833 177 K CB 1.789 34.312 32.500 0.038 0.000 1.317 177 K HN 0.340 nan 8.250 nan 0.000 0.441 178 S N 1.050 116.776 115.700 0.043 0.000 2.592 178 S HA 0.317 4.788 4.470 0.001 0.000 0.271 178 S C -2.457 171.961 174.600 -0.304 0.000 1.326 178 S CA -1.164 56.965 58.200 -0.119 0.000 1.024 178 S CB 0.315 63.550 63.200 0.059 0.000 0.921 178 S HN 0.247 nan 8.310 nan 0.000 0.527 179 P HA 0.239 nan 4.420 nan 0.000 0.268 179 P C -0.761 176.301 177.300 -0.396 0.000 1.205 179 P CA -0.105 62.557 63.100 -0.730 0.000 0.771 179 P CB 0.258 31.063 31.700 -1.491 0.000 0.858 180 E N 1.235 121.388 120.200 -0.078 0.000 2.158 180 E HA 0.174 4.524 4.350 0.001 0.000 0.271 180 E C -1.132 175.653 176.600 0.309 0.000 0.911 180 E CA -0.640 55.899 56.400 0.232 0.000 0.767 180 E CB 1.003 30.905 29.700 0.337 0.000 1.120 180 E HN 0.433 nan 8.360 nan 0.000 0.405 181 W N 5.809 127.304 121.300 0.324 0.000 2.546 181 W HA 0.167 4.827 4.660 0.001 0.000 0.323 181 W C 0.138 176.738 176.519 0.134 0.000 1.272 181 W CA -0.082 57.418 57.345 0.258 0.000 1.404 181 W CB 0.176 29.831 29.460 0.324 0.000 1.411 181 W HN 0.674 nan 8.180 nan 0.000 0.480 182 I N 5.216 125.564 120.570 -0.369 0.000 2.353 182 I HA 0.094 4.265 4.170 0.001 0.000 0.248 182 I C 1.614 177.372 176.117 -0.599 0.000 1.119 182 I CA 1.335 62.293 61.300 -0.570 0.000 1.417 182 I CB -0.728 36.962 38.000 -0.518 0.000 1.078 182 I HN 0.598 nan 8.210 nan 0.000 0.421 183 G N -0.521 107.446 108.800 -1.390 0.000 2.359 183 G HA2 0.280 4.241 3.960 0.001 0.000 0.293 183 G HA3 0.280 4.241 3.960 0.001 0.000 0.293 183 G C -1.685 172.472 174.900 -1.238 0.000 1.300 183 G CA -0.533 43.435 45.100 -1.887 0.000 0.888 183 G HN 0.368 nan 8.290 nan 0.000 0.541 184 H N -1.254 117.430 119.070 -0.644 0.000 2.985 184 H HA 0.863 5.420 4.556 0.002 0.000 0.360 184 H C -1.369 173.832 175.328 -0.212 0.000 1.221 184 H CA -1.393 54.414 56.048 -0.401 0.000 1.121 184 H CB 1.489 31.141 29.762 -0.182 0.000 1.854 184 H HN 0.916 nan 8.280 nan 0.000 0.551 185 I N 0.864 121.449 120.570 0.024 0.000 2.545 185 I HA 0.375 4.546 4.170 0.001 0.000 0.292 185 I C -0.449 175.688 176.117 0.034 0.000 1.040 185 I CA -0.695 60.656 61.300 0.085 0.000 1.068 185 I CB 1.844 39.901 38.000 0.095 0.000 1.251 185 I HN 0.736 nan 8.210 nan 0.000 0.424 186 S N 3.932 119.656 115.700 0.040 0.000 2.510 186 S HA 0.145 4.616 4.470 0.001 0.000 0.279 186 S C 1.029 175.505 174.600 -0.206 0.000 1.284 186 S CA -0.181 57.882 58.200 -0.229 0.000 1.059 186 S CB 1.001 64.138 63.200 -0.104 0.000 0.901 186 S HN 0.755 nan 8.310 nan 0.000 0.491 187 S N 3.818 119.286 115.700 -0.387 0.000 2.355 187 S HA -0.114 4.357 4.470 0.001 0.000 0.222 187 S C 2.291 176.786 174.600 -0.174 0.000 1.031 187 S CA 1.471 59.464 58.200 -0.346 0.000 0.993 187 S CB -0.470 62.216 63.200 -0.857 0.000 0.859 187 S HN 0.970 nan 8.310 nan 0.000 0.453 188 S N 0.318 115.905 115.700 -0.189 0.000 2.371 188 S HA -0.016 4.455 4.470 0.001 0.000 0.224 188 S C 1.412 175.944 174.600 -0.113 0.000 1.029 188 S CA 0.761 58.897 58.200 -0.106 0.000 0.978 188 S CB -0.576 62.577 63.200 -0.078 0.000 0.833 188 S HN 0.566 nan 8.310 nan 0.000 0.466 189 Y N 1.402 121.650 120.300 -0.086 0.000 2.507 189 Y HA 0.585 5.136 4.550 0.003 0.000 0.254 189 Y C 1.403 177.304 175.900 0.002 0.000 1.171 189 Y CA -0.265 57.817 58.100 -0.030 0.000 1.238 189 Y CB 0.165 38.611 38.460 -0.024 0.000 1.148 189 Y HN 0.412 nan 8.280 nan 0.000 0.525 190 A N 0.419 123.297 122.820 0.097 0.000 2.748 190 A HA -0.230 4.090 4.320 0.001 0.000 0.297 190 A C 0.341 178.006 177.584 0.134 0.000 1.508 190 A CA 1.273 53.373 52.037 0.105 0.000 0.799 190 A CB -2.326 16.727 19.000 0.089 0.000 1.011 190 A HN 0.251 nan 8.150 nan 0.000 0.500 191 T N 1.545 116.185 114.554 0.143 0.000 2.733 191 T HA 0.499 4.850 4.350 0.001 0.000 0.294 191 T C 0.260 175.046 174.700 0.143 0.000 0.956 191 T CA 0.301 62.488 62.100 0.146 0.000 0.987 191 T CB 1.161 70.120 68.868 0.152 0.000 0.920 191 T HN 0.474 nan 8.240 nan 0.000 0.470 192 S N 2.701 118.468 115.700 0.112 0.000 2.451 192 S HA 0.602 5.072 4.470 0.001 0.000 0.301 192 S C 0.083 174.607 174.600 -0.127 0.000 1.116 192 S CA -0.720 57.491 58.200 0.019 0.000 1.093 192 S CB 1.155 64.354 63.200 -0.001 0.000 1.017 192 S HN 0.669 nan 8.310 nan 0.000 0.482 193 T N 3.504 117.903 114.554 -0.257 0.000 2.824 193 T HA 0.530 4.881 4.350 0.001 0.000 0.282 193 T C -1.338 173.003 174.700 -0.599 0.000 0.993 193 T CA -0.325 61.547 62.100 -0.380 0.000 0.967 193 T CB 0.473 69.013 68.868 -0.546 0.000 0.960 193 T HN 0.430 nan 8.240 nan 0.000 0.441 194 Y N 1.671 121.853 120.300 -0.198 0.000 2.429 194 Y HA 0.427 4.978 4.550 0.001 0.000 0.342 194 Y C 0.666 176.528 175.900 -0.063 0.000 1.004 194 Y CA -1.253 56.725 58.100 -0.202 0.000 1.075 194 Y CB 1.140 39.487 38.460 -0.189 0.000 1.214 194 Y HN 0.485 nan 8.280 nan 0.000 0.455 195 N N 2.028 120.826 118.700 0.162 0.000 2.454 195 N HA -0.093 4.648 4.740 0.001 0.000 0.260 195 N C 1.016 176.685 175.510 0.264 0.000 1.218 195 N CA 0.368 53.622 53.050 0.340 0.000 0.904 195 N CB 1.197 39.987 38.487 0.506 0.000 1.065 195 N HN 0.812 nan 8.380 nan 0.000 0.462 196 Q N 3.744 123.658 119.800 0.189 0.000 2.152 196 Q HA -0.206 4.134 4.340 0.001 0.000 0.206 196 Q C 1.545 177.562 176.000 0.028 0.000 0.985 196 Q CA 1.917 57.777 55.803 0.095 0.000 0.863 196 Q CB -0.081 28.704 28.738 0.079 0.000 0.904 196 Q HN 0.718 nan 8.270 nan 0.000 0.422 197 K N -1.292 119.110 120.400 0.004 0.000 2.209 197 K HA -0.129 4.192 4.320 0.001 0.000 0.204 197 K C 0.312 176.669 176.600 -0.407 0.000 1.048 197 K CA 1.118 57.271 56.287 -0.223 0.000 0.940 197 K CB -0.019 32.287 32.500 -0.323 0.000 0.729 197 K HN 0.262 nan 8.250 nan 0.000 0.451 198 F N 0.258 120.211 119.950 0.004 0.000 2.647 198 F HA 0.231 4.759 4.527 0.001 0.000 0.300 198 F C 1.587 177.280 175.800 -0.177 0.000 1.106 198 F CA -0.348 57.623 58.000 -0.049 0.000 1.313 198 F CB 0.396 39.397 39.000 0.002 0.000 1.007 198 F HN -0.096 nan 8.300 nan 0.000 0.536 199 K N 0.930 121.289 120.400 -0.068 0.000 2.032 199 K HA -0.135 4.186 4.320 0.001 0.000 0.209 199 K C 0.974 177.391 176.600 -0.305 0.000 1.048 199 K CA 1.655 57.799 56.287 -0.238 0.000 0.927 199 K CB -0.009 32.408 32.500 -0.138 0.000 0.712 199 K HN 0.200 nan 8.250 nan 0.000 0.441 200 N N 0.394 118.980 118.700 -0.191 0.000 2.279 200 N HA -0.025 4.715 4.740 0.001 0.000 0.226 200 N C 0.688 176.109 175.510 -0.148 0.000 1.126 200 N CA 0.225 53.169 53.050 -0.177 0.000 0.846 200 N CB 1.046 39.457 38.487 -0.127 0.000 1.050 200 N HN 0.099 nan 8.380 nan 0.000 0.502 201 K N 1.053 121.373 120.400 -0.134 0.000 2.325 201 K HA 0.332 4.653 4.320 0.001 0.000 0.203 201 K C 0.077 176.603 176.600 -0.122 0.000 1.128 201 K CA 0.421 56.672 56.287 -0.062 0.000 0.931 201 K CB 0.342 32.897 32.500 0.092 0.000 1.125 201 K HN 0.042 nan 8.250 nan 0.000 0.487 202 A N 0.086 122.789 122.820 -0.194 0.000 2.355 202 A HA 0.829 5.150 4.320 0.001 0.000 0.324 202 A C -1.249 176.031 177.584 -0.507 0.000 1.117 202 A CA -0.333 51.528 52.037 -0.293 0.000 0.785 202 A CB 1.572 20.436 19.000 -0.225 0.000 1.254 202 A HN 0.257 nan 8.150 nan 0.000 0.453 203 A N 1.411 123.986 122.820 -0.409 0.000 2.402 203 A HA 0.711 5.031 4.320 0.001 0.000 0.291 203 A C -0.975 176.527 177.584 -0.137 0.000 1.051 203 A CA -0.422 51.418 52.037 -0.328 0.000 0.716 203 A CB 0.512 19.380 19.000 -0.221 0.000 1.223 203 A HN 0.689 nan 8.150 nan 0.000 0.425 204 F N 1.849 121.881 119.950 0.138 0.000 2.404 204 F HA 0.638 5.166 4.527 0.001 0.000 0.339 204 F C 1.124 176.985 175.800 0.101 0.000 1.105 204 F CA -0.265 57.764 58.000 0.048 0.000 1.087 204 F CB 2.419 41.445 39.000 0.043 0.000 1.143 204 F HN 0.635 nan 8.300 nan 0.000 0.491 205 T N -0.445 114.318 114.554 0.349 0.000 2.901 205 T HA 0.804 5.155 4.350 0.001 0.000 0.293 205 T C -0.773 174.158 174.700 0.385 0.000 1.084 205 T CA -0.882 61.392 62.100 0.291 0.000 1.008 205 T CB 1.745 70.722 68.868 0.182 0.000 1.170 205 T HN 0.584 nan 8.240 nan 0.000 0.509 206 V N -1.718 118.394 119.914 0.330 0.000 3.078 206 V HA 0.871 4.991 4.120 0.001 0.000 0.311 206 V C -1.707 174.571 176.094 0.307 0.000 1.138 206 V CA -0.957 61.563 62.300 0.366 0.000 1.007 206 V CB 2.002 34.036 31.823 0.353 0.000 1.045 206 V HN 1.025 nan 8.190 nan 0.000 0.432 207 D N 1.115 121.672 120.400 0.262 0.000 2.440 207 D HA 0.449 5.090 4.640 0.001 0.000 0.252 207 D C 0.973 177.269 176.300 -0.006 0.000 1.180 207 D CA 0.026 54.110 54.000 0.139 0.000 0.894 207 D CB 1.988 42.895 40.800 0.178 0.000 1.111 207 D HN 0.668 nan 8.370 nan 0.000 0.544 208 T N 0.907 115.511 114.554 0.083 0.000 2.699 208 T HA -0.155 4.195 4.350 0.001 0.000 0.268 208 T C 1.789 176.446 174.700 -0.070 0.000 1.036 208 T CA 1.640 63.791 62.100 0.085 0.000 1.147 208 T CB 0.017 68.954 68.868 0.115 0.000 0.862 208 T HN 0.348 nan 8.240 nan 0.000 0.446 209 S N 1.752 117.418 115.700 -0.055 0.000 2.356 209 S HA -0.098 4.373 4.470 0.001 0.000 0.223 209 S C 2.244 176.770 174.600 -0.124 0.000 1.032 209 S CA 1.452 59.611 58.200 -0.069 0.000 1.005 209 S CB -0.324 62.853 63.200 -0.037 0.000 0.867 209 S HN 0.734 nan 8.310 nan 0.000 0.449 210 S N 0.231 115.839 115.700 -0.153 0.000 2.577 210 S HA 0.298 4.769 4.470 0.001 0.000 0.219 210 S C 0.545 174.934 174.600 -0.351 0.000 0.962 210 S CA 0.124 58.216 58.200 -0.180 0.000 0.921 210 S CB -0.095 63.054 63.200 -0.086 0.000 0.789 210 S HN 0.161 nan 8.310 nan 0.000 0.497 211 S N 1.071 116.412 115.700 -0.597 0.000 3.521 211 S HA -0.130 4.341 4.470 0.001 0.000 0.362 211 S C -0.005 173.918 174.600 -1.128 0.000 1.044 211 S CA 1.087 58.566 58.200 -1.201 0.000 1.091 211 S CB -1.992 60.782 63.200 -0.710 0.000 0.908 211 S HN 0.816 nan 8.310 nan 0.000 0.473 212 T N 1.351 115.427 114.554 -0.797 0.000 2.841 212 T HA 0.725 5.076 4.350 0.001 0.000 0.283 212 T C 0.026 174.531 174.700 -0.324 0.000 1.000 212 T CA 0.051 61.847 62.100 -0.507 0.000 0.977 212 T CB 1.902 70.488 68.868 -0.470 0.000 0.979 212 T HN 0.477 nan 8.240 nan 0.000 0.446 213 A N 2.656 125.361 122.820 -0.192 0.000 2.325 213 A HA 0.914 5.235 4.320 0.001 0.000 0.333 213 A C -1.177 176.348 177.584 -0.099 0.000 1.155 213 A CA -0.622 51.463 52.037 0.080 0.000 0.814 213 A CB 0.543 19.710 19.000 0.278 0.000 1.206 213 A HN 0.718 nan 8.150 nan 0.000 0.482 214 F N 0.286 120.429 119.950 0.321 0.000 2.563 214 F HA 0.668 5.195 4.527 -0.000 0.000 0.316 214 F C 0.045 175.776 175.800 -0.115 0.000 1.076 214 F CA -0.481 57.599 58.000 0.133 0.000 0.921 214 F CB 2.428 41.458 39.000 0.049 0.000 1.209 214 F HN 0.543 nan 8.300 nan 0.000 0.462 215 M N 3.338 122.731 119.600 -0.345 0.000 2.204 215 M HA 0.358 4.839 4.480 0.001 0.000 0.293 215 M C -1.597 174.515 176.300 -0.313 0.000 0.994 215 M CA -0.396 54.584 55.300 -0.533 0.000 0.925 215 M CB 1.772 33.537 32.600 -1.393 0.000 1.577 215 M HN 0.739 nan 8.290 nan 0.000 0.439 216 Q N 4.952 124.635 119.800 -0.196 0.000 2.278 216 Q HA 0.560 4.901 4.340 0.001 0.000 0.257 216 Q C -1.912 173.960 176.000 -0.213 0.000 0.928 216 Q CA -0.528 55.168 55.803 -0.178 0.000 0.932 216 Q CB 1.242 29.902 28.738 -0.130 0.000 1.221 216 Q HN 0.803 nan 8.270 nan 0.000 0.434 217 L N 4.295 125.390 121.223 -0.214 0.000 2.313 217 L HA 0.483 4.823 4.340 0.001 0.000 0.283 217 L C -0.366 176.425 176.870 -0.132 0.000 1.013 217 L CA -0.711 54.014 54.840 -0.192 0.000 0.816 217 L CB 1.437 43.344 42.059 -0.253 0.000 1.236 217 L HN 0.733 nan 8.230 nan 0.000 0.419 218 N N -0.770 117.864 118.700 -0.108 0.000 2.453 218 N HA 0.478 5.219 4.740 0.001 0.000 0.290 218 N C -0.299 175.174 175.510 -0.062 0.000 1.250 218 N CA -0.802 52.197 53.050 -0.085 0.000 0.815 218 N CB 1.728 40.160 38.487 -0.092 0.000 1.381 218 N HN 0.379 nan 8.380 nan 0.000 0.510 219 S N -0.943 114.726 115.700 -0.052 0.000 3.614 219 S HA -0.138 4.332 4.470 0.001 0.000 0.360 219 S C -0.390 174.195 174.600 -0.026 0.000 1.023 219 S CA 0.005 58.182 58.200 -0.039 0.000 1.114 219 S CB -1.457 61.716 63.200 -0.044 0.000 0.907 219 S HN 0.506 nan 8.310 nan 0.000 0.470 220 L N 2.495 123.704 121.223 -0.023 0.000 2.534 220 L HA 0.283 4.623 4.340 0.001 0.000 0.271 220 L C 1.389 178.262 176.870 0.004 0.000 1.178 220 L CA 1.119 55.956 54.840 -0.005 0.000 0.907 220 L CB -0.275 41.779 42.059 -0.008 0.000 1.164 220 L HN 0.608 nan 8.230 nan 0.000 0.482 221 T N -1.016 113.548 114.554 0.016 0.000 2.841 221 T HA 0.356 4.707 4.350 0.001 0.000 0.276 221 T C 1.195 175.915 174.700 0.032 0.000 1.003 221 T CA -0.295 61.816 62.100 0.017 0.000 0.995 221 T CB 1.033 69.907 68.868 0.010 0.000 1.260 221 T HN 0.305 nan 8.240 nan 0.000 0.581 222 S N -0.072 115.644 115.700 0.028 0.000 2.399 222 S HA -0.089 4.382 4.470 0.001 0.000 0.231 222 S C 1.799 176.426 174.600 0.047 0.000 1.022 222 S CA 1.301 59.522 58.200 0.034 0.000 0.983 222 S CB -0.557 62.658 63.200 0.025 0.000 0.803 222 S HN 0.766 nan 8.310 nan 0.000 0.480 223 E N 0.695 120.921 120.200 0.044 0.000 2.265 223 E HA -0.123 4.227 4.350 0.001 0.000 0.196 223 E C 0.831 177.490 176.600 0.098 0.000 0.996 223 E CA 0.852 57.285 56.400 0.054 0.000 0.832 223 E CB -0.046 29.674 29.700 0.033 0.000 0.756 223 E HN 0.458 nan 8.360 nan 0.000 0.491 224 D N 0.289 120.759 120.400 0.117 0.000 2.349 224 D HA 0.019 4.660 4.640 0.001 0.000 0.215 224 D C -0.000 176.445 176.300 0.242 0.000 1.016 224 D CA 0.277 54.398 54.000 0.203 0.000 0.870 224 D CB 0.296 41.186 40.800 0.151 0.000 0.917 224 D HN -0.103 nan 8.370 nan 0.000 0.524 225 S N 0.748 116.536 115.700 0.146 0.000 2.488 225 S HA 0.505 4.976 4.470 0.001 0.000 0.278 225 S C 0.290 174.939 174.600 0.082 0.000 1.259 225 S CA -0.337 57.938 58.200 0.125 0.000 1.061 225 S CB 1.107 64.351 63.200 0.073 0.000 0.910 225 S HN 0.351 nan 8.310 nan 0.000 0.491 226 A N 3.118 125.977 122.820 0.064 0.000 2.456 226 A HA 0.584 4.905 4.320 0.001 0.000 0.294 226 A C -1.201 176.278 177.584 -0.175 0.000 1.057 226 A CA -0.772 51.189 52.037 -0.127 0.000 0.623 226 A CB 0.420 19.221 19.000 -0.333 0.000 1.338 226 A HN 0.505 nan 8.150 nan 0.000 0.464 227 V N 0.662 120.429 119.914 -0.245 0.000 2.546 227 V HA 0.477 4.597 4.120 0.001 0.000 0.284 227 V C -0.979 174.854 176.094 -0.435 0.000 1.050 227 V CA 0.179 62.330 62.300 -0.248 0.000 0.981 227 V CB 0.596 32.293 31.823 -0.209 0.000 0.990 227 V HN 0.652 nan 8.190 nan 0.000 0.474 228 Y N 3.469 123.673 120.300 -0.161 0.000 2.376 228 Y HA 0.631 5.181 4.550 0.001 0.000 0.340 228 Y C -0.526 175.303 175.900 -0.119 0.000 0.965 228 Y CA -0.622 57.461 58.100 -0.028 0.000 1.078 228 Y CB 1.709 40.212 38.460 0.072 0.000 1.193 228 Y HN 0.520 nan 8.280 nan 0.000 0.452 229 Y N 1.545 122.029 120.300 0.307 0.000 2.429 229 Y HA 0.541 5.092 4.550 0.001 0.000 0.342 229 Y C 0.006 175.864 175.900 -0.069 0.000 1.004 229 Y CA -1.330 56.874 58.100 0.173 0.000 1.075 229 Y CB 1.446 40.071 38.460 0.276 0.000 1.214 229 Y HN 0.717 nan 8.280 nan 0.000 0.455 230 c N 1.476 119.934 118.600 -0.238 0.000 2.341 230 c HA 0.959 5.530 4.570 0.001 0.000 0.338 230 c C -0.498 173.282 174.090 -0.517 0.000 1.257 230 c CA -0.987 54.827 56.329 -0.859 0.000 1.883 230 c CB -0.146 41.579 42.510 -1.307 0.000 2.334 230 c HN 0.570 nan 8.230 nan 0.000 0.524 231 V N 3.362 122.902 119.914 -0.623 0.000 2.760 231 V HA 0.574 4.694 4.120 0.001 0.000 0.309 231 V C -0.065 175.798 176.094 -0.385 0.000 1.077 231 V CA -0.606 61.340 62.300 -0.590 0.000 0.910 231 V CB 1.537 32.746 31.823 -1.024 0.000 1.008 231 V HN 1.014 nan 8.190 nan 0.000 0.424 232 R N 2.307 122.652 120.500 -0.259 0.000 2.357 232 R HA 0.682 5.023 4.340 0.001 0.000 0.296 232 R C -0.046 176.214 176.300 -0.067 0.000 1.052 232 R CA 0.100 56.107 56.100 -0.154 0.000 0.988 232 R CB 1.321 31.483 30.300 -0.230 0.000 1.025 232 R HN 1.025 nan 8.270 nan 0.000 0.469 233 S N 1.686 117.423 115.700 0.062 0.000 2.627 233 S HA 0.798 5.268 4.470 0.001 0.000 0.283 233 S C -0.251 174.526 174.600 0.295 0.000 1.127 233 S CA -0.538 57.732 58.200 0.117 0.000 0.863 233 S CB 2.226 65.487 63.200 0.101 0.000 1.121 233 S HN 0.711 nan 8.310 nan 0.000 0.479 234 G N 0.745 109.651 108.800 0.176 0.000 3.259 234 G HA2 0.566 4.527 3.960 0.001 0.000 0.178 234 G HA3 0.566 4.527 3.960 0.001 0.000 0.178 234 G C -1.167 173.690 174.900 -0.072 0.000 1.129 234 G CA -0.724 44.410 45.100 0.057 0.000 0.816 234 G HN 0.699 nan 8.290 nan 0.000 0.634 235 N N -1.424 117.202 118.700 -0.125 0.000 2.381 235 N HA 0.495 5.235 4.740 0.001 0.000 0.294 235 N C -0.355 175.166 175.510 0.019 0.000 1.216 235 N CA -0.321 52.599 53.050 -0.216 0.000 0.803 235 N CB 1.962 40.195 38.487 -0.424 0.000 1.372 235 N HN 0.574 nan 8.380 nan 0.000 0.500 236 Y N 0.103 120.529 120.300 0.211 0.000 2.875 236 Y HA -0.373 4.177 4.550 0.000 0.000 0.467 236 Y C 1.789 177.861 175.900 0.287 0.000 1.183 236 Y CA 0.882 59.105 58.100 0.204 0.000 2.568 236 Y CB -0.922 37.598 38.460 0.101 0.000 1.216 236 Y HN 0.490 nan 8.280 nan 0.000 0.629 237 E N 0.851 121.288 120.200 0.395 0.000 2.267 237 E HA -0.172 4.178 4.350 0.001 0.000 0.197 237 E C 0.949 177.840 176.600 0.486 0.000 0.998 237 E CA 1.753 58.387 56.400 0.391 0.000 0.830 237 E CB -0.377 29.453 29.700 0.217 0.000 0.751 237 E HN 0.634 nan 8.360 nan 0.000 0.491 238 E N -0.498 119.895 120.200 0.321 0.000 2.394 238 E HA 0.012 4.363 4.350 0.001 0.000 0.191 238 E C 0.910 177.561 176.600 0.085 0.000 1.044 238 E CA -0.349 56.160 56.400 0.181 0.000 0.939 238 E CB -0.045 29.779 29.700 0.206 0.000 1.089 238 E HN 0.287 nan 8.360 nan 0.000 0.456 239 Y N 1.765 122.049 120.300 -0.027 0.000 2.207 239 Y HA -0.201 4.350 4.550 0.002 0.000 0.287 239 Y C 1.220 176.801 175.900 -0.532 0.000 1.156 239 Y CA 0.795 58.790 58.100 -0.175 0.000 1.182 239 Y CB 0.218 38.659 38.460 -0.030 0.000 0.979 239 Y HN 0.035 nan 8.280 nan 0.000 0.521 240 A N 0.585 122.976 122.820 -0.716 0.000 2.332 240 A HA 0.296 4.617 4.320 0.001 0.000 0.258 240 A C 0.012 177.352 177.584 -0.406 0.000 1.087 240 A CA -0.564 50.838 52.037 -1.059 0.000 0.802 240 A CB 0.036 18.230 19.000 -1.344 0.000 1.042 240 A HN 0.343 nan 8.150 nan 0.000 0.489 241 M N 1.619 121.079 119.600 -0.233 0.000 2.269 241 M HA 0.052 4.532 4.480 0.001 0.000 0.350 241 M C 0.259 176.564 176.300 0.007 0.000 1.429 241 M CA 0.186 55.452 55.300 -0.056 0.000 1.063 241 M CB 0.271 32.832 32.600 -0.066 0.000 1.841 241 M HN 0.922 nan 8.290 nan 0.000 0.455 242 D N 1.733 122.091 120.400 -0.069 0.000 3.234 242 D HA 0.010 4.651 4.640 0.001 0.000 0.281 242 D C -0.435 175.757 176.300 -0.180 0.000 1.405 242 D CA 0.625 54.527 54.000 -0.163 0.000 1.115 242 D CB -0.120 40.488 40.800 -0.320 0.000 1.198 242 D HN 0.463 nan 8.370 nan 0.000 0.388 243 Y N -0.101 120.193 120.300 -0.011 0.000 2.341 243 Y HA 0.406 4.957 4.550 0.002 0.000 0.340 243 Y C -0.358 175.545 175.900 0.006 0.000 0.997 243 Y CA -1.135 56.985 58.100 0.034 0.000 1.149 243 Y CB 0.741 39.158 38.460 -0.071 0.000 1.171 243 Y HN -0.058 nan 8.280 nan 0.000 0.494 244 W N 1.919 123.260 121.300 0.067 0.000 2.381 244 W HA 0.571 5.232 4.660 0.002 0.000 0.329 244 W C 0.717 177.284 176.519 0.080 0.000 1.157 244 W CA -0.610 56.746 57.345 0.018 0.000 1.240 244 W CB 0.927 30.339 29.460 -0.081 0.000 1.199 244 W HN 0.658 nan 8.180 nan 0.000 0.579 245 G N 1.317 110.292 108.800 0.291 0.000 2.653 245 G HA2 0.105 4.066 3.960 0.001 0.000 0.265 245 G HA3 0.105 4.066 3.960 0.001 0.000 0.265 245 G C 0.700 175.809 174.900 0.348 0.000 1.237 245 G CA -0.387 44.852 45.100 0.232 0.000 0.946 245 G HN 0.552 nan 8.290 nan 0.000 0.522 246 Q N -0.250 119.678 119.800 0.213 0.000 2.378 246 Q HA 0.239 4.580 4.340 0.001 0.000 0.205 246 Q C 0.812 176.897 176.000 0.142 0.000 0.954 246 Q CA 1.189 57.109 55.803 0.194 0.000 0.901 246 Q CB -0.260 28.542 28.738 0.106 0.000 0.981 246 Q HN 1.816 nan 8.270 nan 0.000 0.483 247 G N -0.104 108.697 108.800 0.001 0.000 2.629 247 G HA2 -0.098 3.863 3.960 0.001 0.000 0.686 247 G HA3 -0.098 3.863 3.960 0.001 0.000 0.686 247 G C -0.992 173.805 174.900 -0.171 0.000 1.232 247 G CA -0.311 44.545 45.100 -0.407 0.000 0.803 247 G HN 0.189 nan 8.290 nan 0.000 0.638 248 T N 0.771 115.234 114.554 -0.152 0.000 2.965 248 T HA 0.579 4.929 4.350 0.001 0.000 0.306 248 T C 0.131 174.856 174.700 0.042 0.000 0.991 248 T CA 0.197 62.296 62.100 -0.001 0.000 1.001 248 T CB 1.541 70.459 68.868 0.082 0.000 0.984 248 T HN 1.168 nan 8.240 nan 0.000 0.446 249 S N 2.821 118.536 115.700 0.024 0.000 2.505 249 S HA 0.475 4.946 4.470 0.001 0.000 0.276 249 S C -0.070 174.587 174.600 0.094 0.000 1.274 249 S CA -0.451 57.777 58.200 0.048 0.000 1.053 249 S CB 0.062 63.273 63.200 0.019 0.000 0.919 249 S HN 0.496 nan 8.310 nan 0.000 0.490 250 V N 5.851 125.861 119.914 0.161 0.000 2.409 250 V HA 0.431 4.552 4.120 0.001 0.000 0.291 250 V C -0.038 176.127 176.094 0.118 0.000 1.020 250 V CA -0.666 61.721 62.300 0.145 0.000 0.848 250 V CB 1.751 33.690 31.823 0.192 0.000 0.990 250 V HN 0.918 nan 8.190 nan 0.000 0.430 251 T N 4.465 119.061 114.554 0.070 0.000 2.792 251 T HA 0.569 4.919 4.350 0.001 0.000 0.280 251 T C -0.360 174.367 174.700 0.044 0.000 0.990 251 T CA -0.427 61.706 62.100 0.055 0.000 0.960 251 T CB 1.648 70.538 68.868 0.037 0.000 0.939 251 T HN 0.321 nan 8.240 nan 0.000 0.439 252 V N 3.918 123.859 119.914 0.045 0.000 2.357 252 V HA 0.535 4.656 4.120 0.001 0.000 0.284 252 V C 0.554 176.662 176.094 0.024 0.000 1.018 252 V CA -0.762 61.557 62.300 0.032 0.000 0.841 252 V CB 1.154 32.999 31.823 0.037 0.000 0.991 252 V HN 1.067 nan 8.190 nan 0.000 0.437 253 S N 0.000 115.710 115.700 0.016 0.000 2.498 253 S HA 0.000 4.471 4.470 0.001 0.000 0.327 253 S CA 0.000 58.208 58.200 0.013 0.000 1.107 253 S CB 0.000 63.206 63.200 0.010 0.000 0.593 253 S HN 0.000 nan 8.310 nan 0.000 0.517