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 3m6v_1_A DATA FIRST_RESID 2 DATA SEQUENCE LPKAFLSRMA ELLGEEFPAF LKALTEGKRT YGLRVNTLKL PPEAFQRISP DATA SEQUENCE WPLRPIPWCQ EGFYYPEEAR PGPHPFFYAG LYYIQEPSAQ AVGVLLDPKP DATA SEQUENCE GERVLDLAAA PGGKTTHLAA RMGGKGLLLA NEVDGKRVRG LLENVERWGA DATA SEQUENCE PLAVTQAPPR ALAEAFGTYF HRVLLDAPCS GEGMFRKDRE AARHWGPSAP DATA SEQUENCE KRMAEVQKAL LAQASRLLGP GGVLVYSTCT FAPEENEGVV AHFLKAHPEF DATA SEQUENCE RLEDARLHPL FAPGVPEWGE GNPELLKTAR LWPHRLEGEG HFLARFRKEG DATA SEQUENCE GAWSTPRLER PSPLSQEALR AFRGFLEEAG LTLEGPVLDR AGHLYLLPEG DATA SEQUENCE LPTLLGLKAP APGLYLGKVQ KGRFLPARAL ALAFGATLPW PEGLPRLALT DATA SEQUENCE PEDPRALAFA TGEGVAWEGE DHPLALVVLK TAAGEFPLDF GKAKRGVLRP DATA SEQUENCE VGVGLRSH 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.756 176.870 -0.191 0.000 1.165 2 L CA 0.000 54.678 54.840 -0.270 0.000 0.813 2 L CB 0.000 42.035 42.059 -0.041 0.000 0.961 3 P HA 0.081 nan 4.420 nan 0.000 0.265 3 P C 0.290 177.602 177.300 0.021 0.000 1.193 3 P CA -0.400 62.633 63.100 -0.111 0.000 0.765 3 P CB 0.616 32.226 31.700 -0.149 0.000 0.823 4 K N 2.258 122.696 120.400 0.064 0.000 2.211 4 K HA -0.101 4.222 4.320 0.004 0.000 0.203 4 K C 1.563 178.226 176.600 0.105 0.000 1.050 4 K CA 1.363 57.694 56.287 0.075 0.000 0.945 4 K CB -0.603 31.931 32.500 0.057 0.000 0.732 4 K HN 0.333 nan 8.250 nan 0.000 0.451 5 A N 1.151 124.085 122.820 0.189 0.000 2.015 5 A HA -0.070 4.253 4.320 0.004 0.000 0.219 5 A C 1.905 179.664 177.584 0.291 0.000 1.163 5 A CA 0.839 53.035 52.037 0.266 0.000 0.646 5 A CB -0.665 18.579 19.000 0.407 0.000 0.806 5 A HN 0.504 nan 8.150 nan 0.000 0.448 6 F N 0.647 120.563 119.950 -0.056 0.000 2.163 6 F HA -0.061 4.469 4.527 0.005 0.000 0.297 6 F C 1.808 177.600 175.800 -0.014 0.000 1.094 6 F CA 1.413 59.261 58.000 -0.253 0.000 1.290 6 F CB -0.277 38.228 39.000 -0.825 0.000 1.017 6 F HN 0.126 nan 8.300 nan 0.000 0.483 7 L N 0.171 121.352 121.223 -0.068 0.000 2.046 7 L HA -0.231 4.111 4.340 0.004 0.000 0.208 7 L C 2.797 179.533 176.870 -0.222 0.000 1.077 7 L CA 1.629 56.430 54.840 -0.065 0.000 0.747 7 L CB -1.173 40.969 42.059 0.139 0.000 0.896 7 L HN 0.351 nan 8.230 nan 0.000 0.432 8 S N -0.054 115.565 115.700 -0.135 0.000 2.382 8 S HA -0.247 4.225 4.470 0.004 0.000 0.228 8 S C 2.051 176.512 174.600 -0.232 0.000 1.027 8 S CA 1.110 59.204 58.200 -0.176 0.000 0.991 8 S CB -0.359 62.801 63.200 -0.066 0.000 0.823 8 S HN 0.274 nan 8.310 nan 0.000 0.469 9 R N 1.359 121.761 120.500 -0.164 0.000 2.073 9 R HA 0.116 4.458 4.340 0.004 0.000 0.234 9 R C 2.265 178.382 176.300 -0.305 0.000 1.134 9 R CA 1.875 57.876 56.100 -0.165 0.000 0.952 9 R CB -0.739 29.548 30.300 -0.022 0.000 0.850 9 R HN 0.365 nan 8.270 nan 0.000 0.433 10 M N 0.057 119.396 119.600 -0.435 0.000 2.229 10 M HA 0.080 4.562 4.480 0.004 0.000 0.264 10 M C 2.187 178.090 176.300 -0.661 0.000 1.063 10 M CA 1.550 56.580 55.300 -0.450 0.000 1.114 10 M CB -1.216 31.168 32.600 -0.360 0.000 1.387 10 M HN 0.321 nan 8.290 nan 0.000 0.420 11 A N 0.042 122.151 122.820 -1.186 0.000 1.902 11 A HA -0.196 4.127 4.320 0.004 0.000 0.217 11 A C 2.221 179.487 177.584 -0.529 0.000 1.181 11 A CA 1.907 53.142 52.037 -1.338 0.000 0.623 11 A CB -0.712 17.601 19.000 -1.144 0.000 0.818 11 A HN 0.575 nan 8.150 nan 0.000 0.443 12 E N -0.333 119.648 120.200 -0.365 0.000 2.107 12 E HA -0.108 4.245 4.350 0.004 0.000 0.191 12 E C 1.935 178.464 176.600 -0.117 0.000 0.982 12 E CA 0.866 57.150 56.400 -0.192 0.000 0.809 12 E CB -0.127 29.485 29.700 -0.146 0.000 0.756 12 E HN 0.646 nan 8.360 nan 0.000 0.459 13 L N 0.307 121.442 121.223 -0.146 0.000 2.072 13 L HA -0.102 4.241 4.340 0.004 0.000 0.205 13 L C 2.349 179.298 176.870 0.133 0.000 1.079 13 L CA 0.718 55.555 54.840 -0.004 0.000 0.752 13 L CB -0.091 41.847 42.059 -0.201 0.000 0.906 13 L HN 0.181 nan 8.230 nan 0.000 0.436 14 L N -1.261 119.949 121.223 -0.022 0.000 2.529 14 L HA 0.204 4.546 4.340 0.004 0.000 0.223 14 L C 1.691 178.555 176.870 -0.010 0.000 1.113 14 L CA 0.335 55.158 54.840 -0.029 0.000 0.861 14 L CB -0.582 41.389 42.059 -0.148 0.000 1.012 14 L HN 0.417 nan 8.230 nan 0.000 0.461 15 G N 1.284 110.076 108.800 -0.014 0.000 2.660 15 G HA2 -0.415 3.547 3.960 0.004 0.000 0.321 15 G HA3 -0.415 3.547 3.960 0.004 0.000 0.321 15 G C 0.760 175.680 174.900 0.034 0.000 1.246 15 G CA 0.745 45.844 45.100 -0.001 0.000 1.000 15 G HN 0.405 nan 8.290 nan 0.000 0.550 16 E N 0.780 120.989 120.200 0.015 0.000 2.338 16 E HA -0.033 4.319 4.350 0.004 0.000 0.197 16 E C 2.210 178.814 176.600 0.006 0.000 1.007 16 E CA 0.915 57.325 56.400 0.016 0.000 0.849 16 E CB 0.017 29.719 29.700 0.003 0.000 0.774 16 E HN 0.660 nan 8.360 nan 0.000 0.506 17 E N -0.011 120.179 120.200 -0.017 0.000 2.435 17 E HA -0.109 4.244 4.350 0.004 0.000 0.195 17 E C 1.460 177.995 176.600 -0.108 0.000 1.029 17 E CA -0.076 56.281 56.400 -0.071 0.000 0.865 17 E CB 0.050 29.677 29.700 -0.122 0.000 0.833 17 E HN 0.164 nan 8.360 nan 0.000 0.510 18 F N 2.057 121.906 119.950 -0.168 0.000 2.102 18 F HA -0.032 4.498 4.527 0.004 0.000 0.298 18 F C -1.234 174.515 175.800 -0.085 0.000 1.105 18 F CA 0.933 58.848 58.000 -0.142 0.000 1.239 18 F CB -1.003 37.931 39.000 -0.110 0.000 0.991 18 F HN 0.079 nan 8.300 nan 0.000 0.474 19 P HA -0.174 nan 4.420 nan 0.000 0.216 19 P C 1.576 178.689 177.300 -0.311 0.000 1.150 19 P CA 2.433 65.343 63.100 -0.316 0.000 0.837 19 P CB -0.355 31.277 31.700 -0.113 0.000 0.786 20 A N -1.187 121.499 122.820 -0.224 0.000 1.898 20 A HA -0.194 4.128 4.320 0.004 0.000 0.216 20 A C 2.105 179.521 177.584 -0.281 0.000 1.181 20 A CA 1.292 53.226 52.037 -0.172 0.000 0.620 20 A CB -1.800 17.174 19.000 -0.044 0.000 0.819 20 A HN 0.154 nan 8.150 nan 0.000 0.442 21 F N 0.329 119.845 119.950 -0.722 0.000 2.102 21 F HA -0.164 4.365 4.527 0.004 0.000 0.298 21 F C 1.834 177.354 175.800 -0.466 0.000 1.105 21 F CA 1.848 59.368 58.000 -0.800 0.000 1.239 21 F CB -0.399 38.060 39.000 -0.901 0.000 0.991 21 F HN 0.201 nan 8.300 nan 0.000 0.474 22 L N 1.130 121.948 121.223 -0.676 0.000 2.046 22 L HA -0.178 4.165 4.340 0.004 0.000 0.208 22 L C 2.448 179.069 176.870 -0.415 0.000 1.077 22 L CA 2.117 56.566 54.840 -0.652 0.000 0.747 22 L CB -1.139 40.446 42.059 -0.791 0.000 0.896 22 L HN 0.270 nan 8.230 nan 0.000 0.432 23 K N -0.768 119.436 120.400 -0.327 0.000 2.057 23 K HA -0.162 4.160 4.320 0.004 0.000 0.207 23 K C 1.989 178.489 176.600 -0.167 0.000 1.049 23 K CA 1.310 57.478 56.287 -0.198 0.000 0.931 23 K CB -0.224 32.190 32.500 -0.143 0.000 0.714 23 K HN 0.430 nan 8.250 nan 0.000 0.440 24 A N 1.351 124.060 122.820 -0.185 0.000 1.902 24 A HA -0.129 4.193 4.320 0.004 0.000 0.217 24 A C 2.108 179.606 177.584 -0.143 0.000 1.181 24 A CA 1.338 53.308 52.037 -0.111 0.000 0.623 24 A CB -0.590 18.394 19.000 -0.026 0.000 0.818 24 A HN 0.325 nan 8.150 nan 0.000 0.443 25 L N -0.322 120.737 121.223 -0.273 0.000 2.056 25 L HA -0.142 4.200 4.340 0.004 0.000 0.207 25 L C 2.934 179.739 176.870 -0.109 0.000 1.078 25 L CA 1.881 56.602 54.840 -0.198 0.000 0.749 25 L CB -0.835 41.053 42.059 -0.286 0.000 0.901 25 L HN 0.672 nan 8.230 nan 0.000 0.433 26 T N -4.271 110.207 114.554 -0.126 0.000 3.009 26 T HA -0.002 4.350 4.350 0.004 0.000 0.258 26 T C 1.460 176.126 174.700 -0.057 0.000 1.063 26 T CA 0.547 62.598 62.100 -0.081 0.000 1.139 26 T CB 0.131 68.946 68.868 -0.088 0.000 0.890 26 T HN 0.349 nan 8.240 nan 0.000 0.471 27 E N 0.610 120.773 120.200 -0.062 0.000 2.508 27 E HA 0.286 4.639 4.350 0.004 0.000 0.217 27 E C 1.133 177.717 176.600 -0.028 0.000 0.896 27 E CA -0.300 56.076 56.400 -0.040 0.000 1.118 27 E CB 0.545 30.219 29.700 -0.044 0.000 1.133 27 E HN 0.540 nan 8.360 nan 0.000 0.526 28 G N 1.858 110.638 108.800 -0.033 0.000 2.491 28 G HA2 0.049 4.011 3.960 0.004 0.000 0.242 28 G HA3 0.049 4.011 3.960 0.004 0.000 0.242 28 G C -0.246 174.653 174.900 -0.002 0.000 1.266 28 G CA -0.285 44.807 45.100 -0.014 0.000 0.844 28 G HN -0.056 nan 8.290 nan 0.000 0.571 29 K N 1.315 121.719 120.400 0.007 0.000 2.401 29 K HA 0.088 4.410 4.320 0.004 0.000 0.278 29 K C 0.778 177.387 176.600 0.016 0.000 1.018 29 K CA 0.113 56.413 56.287 0.022 0.000 0.981 29 K CB 0.833 33.346 32.500 0.022 0.000 0.933 29 K HN 0.457 nan 8.250 nan 0.000 0.477 30 R N 0.998 121.516 120.500 0.031 0.000 2.679 30 R HA 0.018 4.360 4.340 0.004 0.000 0.268 30 R C 0.400 176.611 176.300 -0.148 0.000 1.044 30 R CA 0.270 56.325 56.100 -0.075 0.000 1.105 30 R CB 0.360 30.618 30.300 -0.071 0.000 0.989 30 R HN 0.671 nan 8.270 nan 0.000 0.447 31 T N -0.798 113.552 114.554 -0.341 0.000 2.918 31 T HA 0.521 4.873 4.350 0.004 0.000 0.286 31 T C -0.933 173.401 174.700 -0.610 0.000 1.026 31 T CA -0.761 61.194 62.100 -0.242 0.000 1.031 31 T CB 0.980 69.844 68.868 -0.006 0.000 1.046 31 T HN 0.435 nan 8.240 nan 0.000 0.479 32 Y N -0.221 119.991 120.300 -0.147 0.000 2.354 32 Y HA 0.646 5.198 4.550 0.003 0.000 0.330 32 Y C 0.457 176.101 175.900 -0.426 0.000 1.011 32 Y CA -0.844 56.977 58.100 -0.465 0.000 1.099 32 Y CB 2.614 40.450 38.460 -1.040 0.000 1.179 32 Y HN 1.208 nan 8.280 nan 0.000 0.442 33 G N 2.633 111.393 108.800 -0.066 0.000 2.524 33 G HA2 0.720 4.682 3.960 0.004 0.000 0.310 33 G HA3 0.720 4.682 3.960 0.004 0.000 0.310 33 G C -1.853 173.220 174.900 0.288 0.000 1.279 33 G CA -0.960 44.178 45.100 0.064 0.000 0.974 33 G HN 0.549 nan 8.290 nan 0.000 0.484 34 L N -1.241 120.132 121.223 0.249 0.000 2.371 34 L HA 0.898 5.240 4.340 0.004 0.000 0.262 34 L C -0.388 176.545 176.870 0.106 0.000 1.006 34 L CA -1.386 53.543 54.840 0.148 0.000 0.818 34 L CB 2.311 44.305 42.059 -0.108 0.000 1.354 34 L HN 0.548 nan 8.230 nan 0.000 0.415 35 R N 1.537 122.114 120.500 0.128 0.000 2.451 35 R HA 0.698 5.040 4.340 0.004 0.000 0.307 35 R C -1.483 174.914 176.300 0.162 0.000 0.965 35 R CA -0.686 55.456 56.100 0.070 0.000 0.865 35 R CB 1.955 32.223 30.300 -0.054 0.000 1.174 35 R HN 0.712 nan 8.270 nan 0.000 0.455 36 V N 3.980 123.955 119.914 0.102 0.000 2.655 36 V HA -0.022 4.100 4.120 0.004 0.000 0.300 36 V C 0.649 176.774 176.094 0.052 0.000 1.044 36 V CA -0.229 62.087 62.300 0.028 0.000 1.095 36 V CB 0.937 32.807 31.823 0.079 0.000 0.952 36 V HN 0.659 nan 8.190 nan 0.000 0.485 37 N N 3.539 122.148 118.700 -0.153 0.000 2.466 37 N HA 0.002 4.744 4.740 0.004 0.000 0.263 37 N C 1.295 176.649 175.510 -0.260 0.000 1.178 37 N CA 0.443 53.220 53.050 -0.455 0.000 0.983 37 N CB 0.915 38.669 38.487 -1.222 0.000 1.331 37 N HN 0.857 nan 8.380 nan 0.000 0.500 38 T N 0.552 115.067 114.554 -0.065 0.000 3.113 38 T HA -0.018 4.335 4.350 0.004 0.000 0.263 38 T C 1.882 176.564 174.700 -0.030 0.000 1.143 38 T CA 0.413 62.508 62.100 -0.009 0.000 1.090 38 T CB -0.134 68.769 68.868 0.060 0.000 0.922 38 T HN 0.406 nan 8.240 nan 0.000 0.521 39 L N -0.247 120.910 121.223 -0.110 0.000 2.201 39 L HA 0.052 4.394 4.340 0.004 0.000 0.212 39 L C 2.781 179.604 176.870 -0.079 0.000 1.105 39 L CA 1.256 56.037 54.840 -0.098 0.000 0.775 39 L CB -0.325 41.626 42.059 -0.180 0.000 0.913 39 L HN 0.267 nan 8.230 nan 0.000 0.440 40 K N -0.316 120.007 120.400 -0.128 0.000 2.287 40 K HA 0.263 4.585 4.320 0.004 0.000 0.199 40 K C 0.183 176.874 176.600 0.152 0.000 1.061 40 K CA 0.384 56.669 56.287 -0.004 0.000 0.976 40 K CB 0.659 33.059 32.500 -0.166 0.000 0.898 40 K HN 0.134 nan 8.250 nan 0.000 0.492 41 L N -1.899 119.351 121.223 0.044 0.000 2.653 41 L HA 0.567 4.909 4.340 0.004 0.000 0.257 41 L C -3.316 173.603 176.870 0.081 0.000 0.969 41 L CA -2.366 52.546 54.840 0.120 0.000 0.869 41 L CB 2.081 44.244 42.059 0.173 0.000 1.439 41 L HN -0.239 nan 8.230 nan 0.000 0.414 42 P HA 0.376 nan 4.420 nan 0.000 0.274 42 P C -2.330 175.067 177.300 0.163 0.000 1.237 42 P CA -1.495 61.672 63.100 0.112 0.000 0.793 42 P CB 0.192 31.953 31.700 0.101 0.000 0.977 43 P HA -0.209 nan 4.420 nan 0.000 0.216 43 P C 0.997 178.505 177.300 0.347 0.000 1.153 43 P CA 1.693 65.006 63.100 0.355 0.000 0.858 43 P CB -0.117 31.767 31.700 0.306 0.000 0.789 44 E N -0.052 120.285 120.200 0.227 0.000 2.110 44 E HA -0.128 4.225 4.350 0.004 0.000 0.193 44 E C 2.118 178.775 176.600 0.095 0.000 0.988 44 E CA 1.472 57.967 56.400 0.158 0.000 0.804 44 E CB -1.329 28.438 29.700 0.111 0.000 0.745 44 E HN 0.188 nan 8.360 nan 0.000 0.458 45 A N 0.563 123.448 122.820 0.107 0.000 1.898 45 A HA -0.131 4.191 4.320 0.004 0.000 0.216 45 A C 2.069 179.674 177.584 0.035 0.000 1.181 45 A CA 1.172 53.255 52.037 0.076 0.000 0.620 45 A CB -0.794 18.276 19.000 0.116 0.000 0.819 45 A HN 0.312 nan 8.150 nan 0.000 0.442 46 F N 0.510 120.434 119.950 -0.042 0.000 2.134 46 F HA -0.187 4.343 4.527 0.004 0.000 0.299 46 F C 2.445 178.140 175.800 -0.175 0.000 1.097 46 F CA 2.176 60.101 58.000 -0.125 0.000 1.264 46 F CB -0.390 38.556 39.000 -0.090 0.000 1.001 46 F HN 0.368 nan 8.300 nan 0.000 0.479 47 Q N 0.062 119.729 119.800 -0.221 0.000 2.181 47 Q HA -0.216 4.126 4.340 0.004 0.000 0.205 47 Q C 2.356 178.170 176.000 -0.311 0.000 0.980 47 Q CA 1.542 57.124 55.803 -0.368 0.000 0.862 47 Q CB -0.102 28.479 28.738 -0.261 0.000 0.905 47 Q HN 0.406 nan 8.270 nan 0.000 0.429 48 R N 0.077 120.451 120.500 -0.209 0.000 2.096 48 R HA -0.115 4.227 4.340 0.004 0.000 0.235 48 R C 2.185 178.355 176.300 -0.217 0.000 1.127 48 R CA 1.598 57.602 56.100 -0.159 0.000 0.968 48 R CB -0.254 29.998 30.300 -0.081 0.000 0.861 48 R HN 0.491 nan 8.270 nan 0.000 0.440 49 I N -2.409 117.962 120.570 -0.332 0.000 3.956 49 I HA 0.175 4.347 4.170 0.004 0.000 0.333 49 I C 0.528 176.371 176.117 -0.456 0.000 1.302 49 I CA -0.323 60.794 61.300 -0.304 0.000 1.122 49 I CB 0.559 38.425 38.000 -0.224 0.000 1.013 49 I HN -0.188 nan 8.210 nan 0.000 0.405 50 S N 2.749 118.002 115.700 -0.744 0.000 2.537 50 S HA 0.229 4.702 4.470 0.004 0.000 0.286 50 S C -1.283 172.962 174.600 -0.591 0.000 1.299 50 S CA -0.815 56.901 58.200 -0.807 0.000 1.067 50 S CB 0.575 63.379 63.200 -0.660 0.000 0.864 50 S HN 0.160 nan 8.310 nan 0.000 0.494 51 P HA 0.145 nan 4.420 nan 0.000 0.237 51 P C -0.646 176.128 177.300 -0.876 0.000 1.178 51 P CA 0.467 62.978 63.100 -0.982 0.000 0.766 51 P CB 0.174 31.041 31.700 -1.387 0.000 0.876 52 W N 0.236 121.488 121.300 -0.080 0.000 2.844 52 W HA 0.349 5.011 4.660 0.004 0.000 0.340 52 W C -2.495 173.998 176.519 -0.044 0.000 1.093 52 W CA -2.593 54.725 57.345 -0.043 0.000 1.212 52 W CB 0.374 29.820 29.460 -0.023 0.000 1.422 52 W HN -0.283 nan 8.180 nan 0.000 0.515 53 P HA 0.211 nan 4.420 nan 0.000 0.268 53 P C -0.550 176.851 177.300 0.169 0.000 1.204 53 P CA 0.440 63.614 63.100 0.124 0.000 0.768 53 P CB 1.285 33.049 31.700 0.106 0.000 0.842 54 L N 3.469 124.761 121.223 0.116 0.000 2.323 54 L HA 0.613 4.956 4.340 0.004 0.000 0.265 54 L C 0.751 177.772 176.870 0.252 0.000 1.012 54 L CA -1.004 53.942 54.840 0.177 0.000 0.820 54 L CB 2.173 44.201 42.059 -0.052 0.000 1.334 54 L HN 0.273 nan 8.230 nan 0.000 0.427 55 R N 1.440 122.169 120.500 0.381 0.000 2.621 55 R HA 0.454 4.797 4.340 0.004 0.000 0.292 55 R C -2.699 173.839 176.300 0.396 0.000 0.969 55 R CA -1.825 54.497 56.100 0.370 0.000 0.887 55 R CB 2.201 32.687 30.300 0.309 0.000 1.180 55 R HN 0.298 nan 8.270 nan 0.000 0.450 56 P HA 0.095 nan 4.420 nan 0.000 0.271 56 P C -0.323 176.812 177.300 -0.276 0.000 1.216 56 P CA 0.064 63.080 63.100 -0.140 0.000 0.771 56 P CB 0.747 32.383 31.700 -0.107 0.000 0.864 57 I N 5.799 125.971 120.570 -0.663 0.000 2.379 57 I HA 0.077 4.249 4.170 0.004 0.000 0.290 57 I C -1.181 174.437 176.117 -0.832 0.000 1.063 57 I CA -2.063 58.646 61.300 -0.985 0.000 1.351 57 I CB 0.921 38.171 38.000 -1.251 0.000 1.410 57 I HN 0.206 nan 8.210 nan 0.000 0.505 58 P HA -0.167 nan 4.420 nan 0.000 0.217 58 P C 0.781 177.888 177.300 -0.321 0.000 1.148 58 P CA 1.569 64.413 63.100 -0.426 0.000 0.828 58 P CB 0.002 31.446 31.700 -0.426 0.000 0.783 59 W N -3.124 118.041 121.300 -0.224 0.000 3.239 59 W HA 0.454 5.116 4.660 0.003 0.000 0.348 59 W C -0.321 176.175 176.519 -0.040 0.000 1.183 59 W CA -0.624 56.655 57.345 -0.111 0.000 1.819 59 W CB -0.806 28.646 29.460 -0.012 0.000 1.091 59 W HN -0.128 nan 8.180 nan 0.000 0.629 60 C N 3.404 122.551 119.300 -0.254 0.000 2.660 60 C HA 0.247 4.710 4.460 0.004 0.000 0.336 60 C C 1.581 176.430 174.990 -0.234 0.000 1.058 60 C CA -0.457 58.477 59.018 -0.139 0.000 1.368 60 C CB 0.703 28.358 27.740 -0.141 0.000 1.884 60 C HN 0.341 nan 8.230 nan 0.000 0.454 61 Q N 1.912 121.636 119.800 -0.126 0.000 2.234 61 Q HA -0.126 4.216 4.340 0.004 0.000 0.206 61 Q C 1.753 177.621 176.000 -0.220 0.000 0.980 61 Q CA 1.564 57.275 55.803 -0.154 0.000 0.869 61 Q CB 0.104 28.809 28.738 -0.055 0.000 0.912 61 Q HN 0.946 nan 8.270 nan 0.000 0.436 62 E N -0.020 120.082 120.200 -0.163 0.000 2.463 62 E HA 0.175 4.527 4.350 0.004 0.000 0.193 62 E C 0.375 176.826 176.600 -0.248 0.000 1.041 62 E CA 0.073 56.392 56.400 -0.134 0.000 0.879 62 E CB 0.222 29.920 29.700 -0.002 0.000 0.997 62 E HN 0.061 nan 8.360 nan 0.000 0.478 63 G N 0.558 109.082 108.800 -0.459 0.000 2.432 63 G HA2 0.550 4.513 3.960 0.004 0.000 0.331 63 G HA3 0.550 4.513 3.960 0.004 0.000 0.331 63 G C -1.377 173.052 174.900 -0.786 0.000 1.170 63 G CA -0.594 44.235 45.100 -0.452 0.000 0.943 63 G HN 0.047 nan 8.290 nan 0.000 0.483 64 F N -0.707 119.126 119.950 -0.195 0.000 2.591 64 F HA 0.409 4.938 4.527 0.004 0.000 0.309 64 F C -0.742 174.950 175.800 -0.181 0.000 1.098 64 F CA -0.852 57.055 58.000 -0.155 0.000 0.937 64 F CB 1.936 40.968 39.000 0.053 0.000 1.250 64 F HN 0.372 nan 8.300 nan 0.000 0.447 65 Y N 1.974 122.374 120.300 0.166 0.000 2.411 65 Y HA 0.327 4.879 4.550 0.004 0.000 0.333 65 Y C -0.099 175.907 175.900 0.176 0.000 1.186 65 Y CA -0.556 57.594 58.100 0.084 0.000 1.381 65 Y CB 0.154 38.626 38.460 0.021 0.000 1.273 65 Y HN 0.480 nan 8.280 nan 0.000 0.546 66 Y N 0.697 121.131 120.300 0.223 0.000 2.570 66 Y HA 0.814 5.366 4.550 0.004 0.000 0.345 66 Y C -3.209 172.693 175.900 0.002 0.000 1.014 66 Y CA -4.049 54.096 58.100 0.075 0.000 1.063 66 Y CB 0.683 39.085 38.460 -0.097 0.000 1.272 66 Y HN 0.305 nan 8.280 nan 0.000 0.477 67 P HA 0.123 nan 4.420 nan 0.000 0.275 67 P C 0.407 177.551 177.300 -0.261 0.000 1.227 67 P CA -0.098 62.974 63.100 -0.047 0.000 0.781 67 P CB 1.121 32.834 31.700 0.021 0.000 0.906 68 E N 2.560 122.500 120.200 -0.433 0.000 2.171 68 E HA -0.268 4.084 4.350 0.004 0.000 0.197 68 E C 1.325 177.649 176.600 -0.460 0.000 0.997 68 E CA 1.216 57.118 56.400 -0.831 0.000 0.810 68 E CB 0.123 29.538 29.700 -0.476 0.000 0.738 68 E HN 0.484 nan 8.360 nan 0.000 0.467 69 E N 0.408 120.471 120.200 -0.229 0.000 2.358 69 E HA -0.014 4.338 4.350 0.004 0.000 0.195 69 E C 0.568 177.094 176.600 -0.123 0.000 1.010 69 E CA 0.592 56.914 56.400 -0.130 0.000 0.856 69 E CB -0.133 29.534 29.700 -0.055 0.000 0.795 69 E HN 0.212 nan 8.360 nan 0.000 0.504 70 A N 1.654 124.364 122.820 -0.184 0.000 2.366 70 A HA 0.383 4.706 4.320 0.004 0.000 0.249 70 A C 0.044 177.380 177.584 -0.413 0.000 1.084 70 A CA -0.394 51.422 52.037 -0.368 0.000 0.794 70 A CB 0.275 18.785 19.000 -0.817 0.000 1.034 70 A HN 0.167 nan 8.150 nan 0.000 0.491 71 R N 1.458 121.706 120.500 -0.422 0.000 2.564 71 R HA 0.256 4.598 4.340 0.004 0.000 0.282 71 R C -2.385 173.745 176.300 -0.284 0.000 1.573 71 R CA -1.274 54.669 56.100 -0.261 0.000 1.588 71 R CB 1.012 31.287 30.300 -0.041 0.000 1.154 71 R HN 0.472 nan 8.270 nan 0.000 0.606 72 P HA -0.035 nan 4.420 nan 0.000 0.229 72 P C 1.293 178.609 177.300 0.027 0.000 1.160 72 P CA 0.677 63.492 63.100 -0.475 0.000 0.777 72 P CB 0.455 31.488 31.700 -1.110 0.000 0.814 73 G N 1.598 110.289 108.800 -0.182 0.000 2.464 73 G HA2 -0.105 3.857 3.960 0.004 0.000 0.214 73 G HA3 -0.105 3.857 3.960 0.004 0.000 0.214 73 G C -1.219 173.506 174.900 -0.293 0.000 1.218 73 G CA 0.577 45.417 45.100 -0.434 0.000 0.794 73 G HN 0.261 nan 8.290 nan 0.000 0.542 74 P HA 0.164 nan 4.420 nan 0.000 0.225 74 P C -0.935 176.543 177.300 0.296 0.000 1.813 74 P CA 0.361 63.553 63.100 0.154 0.000 1.013 74 P CB -0.171 31.585 31.700 0.093 0.000 1.961 75 H N 1.677 120.926 119.070 0.299 0.000 2.974 75 H HA 0.254 4.812 4.556 0.004 0.000 0.366 75 H C -2.279 173.279 175.328 0.382 0.000 1.155 75 H CA -1.764 54.460 56.048 0.293 0.000 1.186 75 H CB 2.608 32.591 29.762 0.369 0.000 1.799 75 H HN -0.181 nan 8.280 nan 0.000 0.541 76 P HA -0.130 nan 4.420 nan 0.000 0.218 76 P C 1.400 178.986 177.300 0.477 0.000 1.148 76 P CA 1.003 64.237 63.100 0.224 0.000 0.822 76 P CB 0.016 31.687 31.700 -0.048 0.000 0.784 77 F N -1.758 118.540 119.950 0.580 0.000 2.202 77 F HA -0.120 4.410 4.527 0.004 0.000 0.301 77 F C 2.195 177.894 175.800 -0.168 0.000 1.082 77 F CA 0.350 58.509 58.000 0.265 0.000 1.313 77 F CB -1.777 37.503 39.000 0.466 0.000 1.024 77 F HN -0.083 nan 8.300 nan 0.000 0.495 78 F N -0.324 119.631 119.950 0.008 0.000 2.113 78 F HA -0.244 4.284 4.527 0.003 0.000 0.297 78 F C 2.187 177.805 175.800 -0.302 0.000 1.103 78 F CA 1.610 59.401 58.000 -0.348 0.000 1.248 78 F CB -0.847 38.001 39.000 -0.253 0.000 0.999 78 F HN -0.093 nan 8.300 nan 0.000 0.475 79 Y N 0.030 120.416 120.300 0.143 0.000 2.439 79 Y HA 0.070 4.622 4.550 0.003 0.000 0.292 79 Y C 2.365 178.248 175.900 -0.028 0.000 1.130 79 Y CA 0.771 58.897 58.100 0.044 0.000 1.254 79 Y CB -0.935 37.630 38.460 0.175 0.000 1.000 79 Y HN 0.163 nan 8.280 nan 0.000 0.554 80 A N -0.244 122.644 122.820 0.112 0.000 2.238 80 A HA 0.357 4.679 4.320 0.004 0.000 0.208 80 A C 2.001 179.494 177.584 -0.151 0.000 1.177 80 A CA 0.698 52.762 52.037 0.045 0.000 0.804 80 A CB -1.101 17.985 19.000 0.144 0.000 0.823 80 A HN 0.535 nan 8.150 nan 0.000 0.482 81 G N -0.442 108.188 108.800 -0.284 0.000 2.249 81 G HA2 -0.264 3.698 3.960 0.004 0.000 0.273 81 G HA3 -0.264 3.698 3.960 0.004 0.000 0.273 81 G C 0.661 175.254 174.900 -0.511 0.000 1.036 81 G CA 0.516 45.403 45.100 -0.355 0.000 0.824 81 G HN 0.471 nan 8.290 nan 0.000 0.504 82 L N -1.583 119.295 121.223 -0.576 0.000 2.376 82 L HA 0.190 4.532 4.340 0.004 0.000 0.219 82 L C 1.242 177.804 176.870 -0.514 0.000 1.133 82 L CA 1.141 55.610 54.840 -0.618 0.000 0.816 82 L CB -0.435 41.264 42.059 -0.599 0.000 0.933 82 L HN 0.669 nan 8.230 nan 0.000 0.449 83 Y N -4.529 115.643 120.300 -0.214 0.000 2.656 83 Y HA 0.501 5.053 4.550 0.004 0.000 0.334 83 Y C -1.191 174.872 175.900 0.272 0.000 1.179 83 Y CA -2.308 55.769 58.100 -0.039 0.000 1.050 83 Y CB 0.582 38.881 38.460 -0.269 0.000 1.308 83 Y HN -0.155 nan 8.280 nan 0.000 0.456 84 Y N 2.055 122.633 120.300 0.464 0.000 2.360 84 Y HA 0.666 5.217 4.550 0.003 0.000 0.337 84 Y C -0.463 175.593 175.900 0.260 0.000 1.039 84 Y CA -1.311 56.941 58.100 0.254 0.000 1.109 84 Y CB 1.236 39.642 38.460 -0.091 0.000 1.201 84 Y HN 0.682 nan 8.280 nan 0.000 0.458 85 I N 6.376 126.949 120.570 0.004 0.000 2.311 85 I HA 0.140 4.312 4.170 0.004 0.000 0.297 85 I C -0.424 175.820 176.117 0.211 0.000 1.131 85 I CA 0.308 61.684 61.300 0.126 0.000 1.289 85 I CB 0.202 38.245 38.000 0.073 0.000 1.446 85 I HN 0.518 nan 8.210 nan 0.000 0.524 86 Q N 6.090 126.058 119.800 0.279 0.000 2.321 86 Q HA 0.198 4.540 4.340 0.004 0.000 0.270 86 Q C -0.297 175.771 176.000 0.113 0.000 1.032 86 Q CA -0.770 55.175 55.803 0.236 0.000 0.784 86 Q CB 1.837 30.685 28.738 0.184 0.000 1.264 86 Q HN 0.448 nan 8.270 nan 0.000 0.448 87 E N 4.564 124.811 120.200 0.079 0.000 2.502 87 E HA -0.057 4.296 4.350 0.004 0.000 0.261 87 E C -1.907 174.718 176.600 0.040 0.000 0.974 87 E CA -0.951 55.469 56.400 0.034 0.000 0.936 87 E CB 1.067 30.780 29.700 0.022 0.000 0.926 87 E HN 0.506 nan 8.360 nan 0.000 0.459 88 P HA -0.193 nan 4.420 nan 0.000 0.215 88 P C 1.445 178.969 177.300 0.374 0.000 1.157 88 P CA 2.308 65.486 63.100 0.130 0.000 0.874 88 P CB 0.003 31.834 31.700 0.219 0.000 0.790 89 S N -0.600 115.261 115.700 0.268 0.000 2.402 89 S HA -0.097 4.376 4.470 0.004 0.000 0.229 89 S C 2.081 176.480 174.600 -0.336 0.000 1.021 89 S CA 1.126 59.337 58.200 0.018 0.000 0.974 89 S CB -1.437 61.718 63.200 -0.074 0.000 0.800 89 S HN 0.111 nan 8.310 nan 0.000 0.484 90 A N 1.558 124.137 122.820 -0.402 0.000 2.019 90 A HA -0.071 4.251 4.320 0.004 0.000 0.219 90 A C 2.275 179.711 177.584 -0.246 0.000 1.164 90 A CA 1.272 52.918 52.037 -0.652 0.000 0.644 90 A CB -0.709 18.137 19.000 -0.257 0.000 0.805 90 A HN 0.699 nan 8.150 nan 0.000 0.449 91 Q N -0.659 119.137 119.800 -0.008 0.000 2.291 91 Q HA -0.057 4.285 4.340 0.004 0.000 0.205 91 Q C 2.246 178.405 176.000 0.266 0.000 0.970 91 Q CA 0.895 56.773 55.803 0.125 0.000 0.876 91 Q CB -0.355 28.425 28.738 0.070 0.000 0.935 91 Q HN 0.713 nan 8.270 nan 0.000 0.455 92 A N 0.486 123.423 122.820 0.195 0.000 2.019 92 A HA -0.123 4.200 4.320 0.004 0.000 0.219 92 A C 2.282 179.884 177.584 0.030 0.000 1.164 92 A CA 1.057 53.187 52.037 0.156 0.000 0.644 92 A CB -0.444 18.448 19.000 -0.181 0.000 0.805 92 A HN 0.201 nan 8.150 nan 0.000 0.449 93 V N -0.151 119.723 119.914 -0.067 0.000 2.295 93 V HA -0.181 3.942 4.120 0.004 0.000 0.246 93 V C 2.835 178.862 176.094 -0.112 0.000 1.049 93 V CA 1.994 64.239 62.300 -0.090 0.000 1.024 93 V CB -1.507 30.257 31.823 -0.099 0.000 0.648 93 V HN 0.580 nan 8.190 nan 0.000 0.447 94 G N -0.164 108.530 108.800 -0.176 0.000 2.422 94 G HA2 -0.192 3.770 3.960 0.004 0.000 0.218 94 G HA3 -0.192 3.770 3.960 0.004 0.000 0.218 94 G C 1.652 176.268 174.900 -0.473 0.000 1.146 94 G CA 1.215 45.980 45.100 -0.558 0.000 0.769 94 G HN 0.386 nan 8.290 nan 0.000 0.547 95 V N 0.687 120.449 119.914 -0.253 0.000 2.343 95 V HA -0.137 3.985 4.120 0.004 0.000 0.247 95 V C 2.659 178.732 176.094 -0.036 0.000 1.051 95 V CA 1.617 63.878 62.300 -0.065 0.000 1.036 95 V CB -0.477 31.412 31.823 0.110 0.000 0.654 95 V HN 0.356 nan 8.190 nan 0.000 0.451 96 L N -0.326 120.883 121.223 -0.023 0.000 2.056 96 L HA -0.100 4.242 4.340 0.004 0.000 0.207 96 L C 2.177 179.030 176.870 -0.029 0.000 1.078 96 L CA 1.803 56.635 54.840 -0.014 0.000 0.749 96 L CB -0.633 41.415 42.059 -0.020 0.000 0.901 96 L HN 0.273 nan 8.230 nan 0.000 0.433 97 L N 0.218 121.408 121.223 -0.055 0.000 2.083 97 L HA -0.132 4.210 4.340 0.004 0.000 0.209 97 L C 0.704 177.559 176.870 -0.025 0.000 1.083 97 L CA 1.806 56.626 54.840 -0.034 0.000 0.752 97 L CB -0.577 41.450 42.059 -0.054 0.000 0.899 97 L HN 0.610 nan 8.230 nan 0.000 0.433 98 D N -0.983 119.383 120.400 -0.057 0.000 2.699 98 D HA -0.130 4.513 4.640 0.004 0.000 0.239 98 D C -2.151 174.139 176.300 -0.016 0.000 1.136 98 D CA 0.596 54.574 54.000 -0.036 0.000 0.668 98 D CB -0.670 40.124 40.800 -0.011 0.000 1.060 98 D HN 0.313 nan 8.370 nan 0.000 0.429 99 P HA 0.144 nan 4.420 nan 0.000 0.271 99 P C -0.278 177.028 177.300 0.009 0.000 1.218 99 P CA -0.044 63.060 63.100 0.007 0.000 0.780 99 P CB 0.797 32.502 31.700 0.007 0.000 0.901 100 K N 2.323 122.730 120.400 0.011 0.000 2.267 100 K HA 0.504 4.826 4.320 0.004 0.000 0.246 100 K C -2.562 174.041 176.600 0.005 0.000 0.954 100 K CA -2.671 53.617 56.287 0.002 0.000 0.824 100 K CB 0.420 32.909 32.500 -0.018 0.000 1.167 100 K HN 0.226 nan 8.250 nan 0.000 0.431 101 P HA -0.023 nan 4.420 nan 0.000 0.264 101 P C 0.728 178.024 177.300 -0.007 0.000 1.183 101 P CA 1.121 64.229 63.100 0.014 0.000 0.763 101 P CB 0.318 32.028 31.700 0.017 0.000 0.807 102 G N 1.643 110.443 108.800 0.000 0.000 2.217 102 G HA2 -0.236 3.727 3.960 0.004 0.000 0.246 102 G HA3 -0.236 3.727 3.960 0.004 0.000 0.246 102 G C 0.220 175.100 174.900 -0.034 0.000 0.990 102 G CA -0.204 44.885 45.100 -0.019 0.000 0.627 102 G HN 0.540 nan 8.290 nan 0.000 0.522 103 E N 0.196 120.379 120.200 -0.028 0.000 2.369 103 E HA 0.510 4.863 4.350 0.004 0.000 0.255 103 E C 0.463 177.163 176.600 0.167 0.000 1.172 103 E CA -0.475 55.930 56.400 0.007 0.000 0.932 103 E CB 0.475 30.174 29.700 -0.002 0.000 1.040 103 E HN 0.313 nan 8.360 nan 0.000 0.454 104 R N 0.786 121.522 120.500 0.394 0.000 2.265 104 R HA 0.385 4.727 4.340 0.004 0.000 0.328 104 R C -1.144 175.400 176.300 0.407 0.000 0.969 104 R CA -0.447 55.771 56.100 0.197 0.000 0.832 104 R CB 1.109 31.235 30.300 -0.290 0.000 1.139 104 R HN 0.159 nan 8.270 nan 0.000 0.457 105 V N 4.604 124.758 119.914 0.400 0.000 2.656 105 V HA 0.395 4.517 4.120 0.004 0.000 0.307 105 V C -1.012 175.132 176.094 0.083 0.000 1.051 105 V CA -0.966 61.489 62.300 0.257 0.000 0.893 105 V CB 2.132 34.034 31.823 0.132 0.000 0.999 105 V HN 0.486 nan 8.190 nan 0.000 0.426 106 L N 3.565 124.664 121.223 -0.207 0.000 2.356 106 L HA 0.700 5.043 4.340 0.004 0.000 0.277 106 L C -0.808 175.929 176.870 -0.222 0.000 0.996 106 L CA 0.020 54.592 54.840 -0.446 0.000 0.822 106 L CB 1.690 43.103 42.059 -1.077 0.000 1.256 106 L HN 0.678 nan 8.230 nan 0.000 0.413 107 D N 4.112 124.422 120.400 -0.151 0.000 2.412 107 D HA 0.150 4.792 4.640 0.004 0.000 0.224 107 D C 0.650 176.888 176.300 -0.103 0.000 1.093 107 D CA -0.263 53.672 54.000 -0.109 0.000 0.850 107 D CB 1.259 42.004 40.800 -0.091 0.000 1.046 107 D HN 0.558 nan 8.370 nan 0.000 0.507 108 L N 3.505 124.669 121.223 -0.098 0.000 2.179 108 L HA 0.249 4.591 4.340 0.004 0.000 0.208 108 L C 0.724 177.557 176.870 -0.061 0.000 1.096 108 L CA 0.913 55.704 54.840 -0.082 0.000 0.779 108 L CB -0.163 41.850 42.059 -0.077 0.000 0.922 108 L HN 0.522 nan 8.230 nan 0.000 0.443 109 A N -1.899 120.885 122.820 -0.061 0.000 2.763 109 A HA 0.710 5.032 4.320 0.004 0.000 0.325 109 A C 0.721 178.269 177.584 -0.060 0.000 1.209 109 A CA 0.146 52.150 52.037 -0.055 0.000 0.764 109 A CB 0.410 19.379 19.000 -0.051 0.000 1.120 109 A HN 0.188 nan 8.150 nan 0.000 0.463 110 A N 1.165 123.950 122.820 -0.058 0.000 1.997 110 A HA 0.615 4.938 4.320 0.004 0.000 0.212 110 A C 1.434 178.980 177.584 -0.063 0.000 1.178 110 A CA 1.018 53.014 52.037 -0.069 0.000 0.698 110 A CB -0.233 18.727 19.000 -0.067 0.000 0.842 110 A HN 1.634 nan 8.150 nan 0.000 0.458 111 A N 0.843 123.637 122.820 -0.044 0.000 2.407 111 A HA 0.496 4.818 4.320 0.004 0.000 0.248 111 A C -0.979 176.595 177.584 -0.017 0.000 1.082 111 A CA -0.744 51.277 52.037 -0.026 0.000 0.785 111 A CB 0.030 19.018 19.000 -0.019 0.000 1.020 111 A HN 0.265 nan 8.150 nan 0.000 0.489 112 P HA 0.161 nan 4.420 nan 0.000 0.245 112 P C 0.672 178.000 177.300 0.046 0.000 1.206 112 P CA 1.141 64.269 63.100 0.046 0.000 0.781 112 P CB 0.549 32.305 31.700 0.094 0.000 0.994 113 G N -1.013 107.763 108.800 -0.040 0.000 2.174 113 G HA2 -0.115 3.847 3.960 0.004 0.000 0.140 113 G HA3 -0.115 3.847 3.960 0.004 0.000 0.140 113 G C 0.990 175.568 174.900 -0.536 0.000 1.031 113 G CA -0.134 44.856 45.100 -0.183 0.000 0.728 113 G HN 0.418 nan 8.290 nan 0.000 0.496 114 G N 0.844 109.321 108.800 -0.539 0.000 2.433 114 G HA2 -0.093 3.870 3.960 0.004 0.000 0.216 114 G HA3 -0.093 3.870 3.960 0.004 0.000 0.216 114 G C 1.646 176.176 174.900 -0.616 0.000 1.186 114 G CA 1.785 46.331 45.100 -0.922 0.000 0.779 114 G HN 0.477 nan 8.290 nan 0.000 0.543 115 K N 0.253 120.460 120.400 -0.323 0.000 2.103 115 K HA 0.077 4.400 4.320 0.004 0.000 0.204 115 K C 2.766 179.233 176.600 -0.222 0.000 1.052 115 K CA 1.164 57.332 56.287 -0.199 0.000 0.945 115 K CB -0.778 31.644 32.500 -0.130 0.000 0.722 115 K HN 0.242 nan 8.250 nan 0.000 0.443 116 T N 0.419 114.816 114.554 -0.262 0.000 2.635 116 T HA -0.196 4.156 4.350 0.004 0.000 0.267 116 T C 1.908 176.412 174.700 -0.325 0.000 1.040 116 T CA 2.232 64.192 62.100 -0.234 0.000 1.156 116 T CB -0.711 68.034 68.868 -0.205 0.000 0.863 116 T HN 0.554 nan 8.240 nan 0.000 0.430 117 T N -0.388 113.799 114.554 -0.612 0.000 2.867 117 T HA -0.117 4.235 4.350 0.004 0.000 0.268 117 T C 1.737 176.077 174.700 -0.600 0.000 1.057 117 T CA 1.444 62.900 62.100 -1.074 0.000 1.136 117 T CB -0.670 66.988 68.868 -2.016 0.000 0.874 117 T HN 0.629 nan 8.240 nan 0.000 0.466 118 H N 1.025 119.806 119.070 -0.482 0.000 2.321 118 H HA 0.057 4.615 4.556 0.004 0.000 0.300 118 H C 2.175 177.464 175.328 -0.065 0.000 1.087 118 H CA 1.238 57.173 56.048 -0.188 0.000 1.319 118 H CB -0.139 29.515 29.762 -0.179 0.000 1.379 118 H HN 0.268 nan 8.280 nan 0.000 0.501 119 L N 0.047 121.268 121.223 -0.002 0.000 2.046 119 L HA -0.160 4.182 4.340 0.004 0.000 0.208 119 L C 3.011 179.917 176.870 0.060 0.000 1.077 119 L CA 0.906 55.736 54.840 -0.017 0.000 0.747 119 L CB -0.735 41.297 42.059 -0.045 0.000 0.896 119 L HN 0.369 nan 8.230 nan 0.000 0.432 120 A N 0.389 123.250 122.820 0.069 0.000 1.908 120 A HA -0.188 4.134 4.320 0.004 0.000 0.218 120 A C 2.558 180.310 177.584 0.281 0.000 1.181 120 A CA 1.976 54.115 52.037 0.171 0.000 0.627 120 A CB -0.674 18.448 19.000 0.202 0.000 0.818 120 A HN 0.423 nan 8.150 nan 0.000 0.445 121 A N -0.663 122.410 122.820 0.422 0.000 1.898 121 A HA -0.112 4.211 4.320 0.004 0.000 0.216 121 A C 2.159 179.869 177.584 0.211 0.000 1.181 121 A CA 1.301 53.560 52.037 0.369 0.000 0.620 121 A CB -0.401 18.896 19.000 0.495 0.000 0.819 121 A HN 0.390 nan 8.150 nan 0.000 0.442 122 R N -0.609 120.002 120.500 0.186 0.000 2.148 122 R HA 0.027 4.370 4.340 0.004 0.000 0.227 122 R C 1.667 178.014 176.300 0.079 0.000 1.103 122 R CA 1.250 57.416 56.100 0.110 0.000 0.983 122 R CB -0.613 29.718 30.300 0.052 0.000 0.874 122 R HN 0.623 nan 8.270 nan 0.000 0.451 123 M N -0.635 119.017 119.600 0.087 0.000 2.556 123 M HA 0.139 4.621 4.480 0.004 0.000 0.245 123 M C 0.863 177.205 176.300 0.069 0.000 1.128 123 M CA 0.639 55.980 55.300 0.068 0.000 1.069 123 M CB 0.324 32.966 32.600 0.070 0.000 1.469 123 M HN 0.284 nan 8.290 nan 0.000 0.494 124 G N 1.021 109.870 108.800 0.083 0.000 2.233 124 G HA2 -0.246 3.716 3.960 0.004 0.000 0.270 124 G HA3 -0.246 3.716 3.960 0.004 0.000 0.270 124 G C 0.834 175.771 174.900 0.062 0.000 1.011 124 G CA 0.412 45.553 45.100 0.068 0.000 0.762 124 G HN 0.815 nan 8.290 nan 0.000 0.511 125 G N -2.079 106.765 108.800 0.074 0.000 2.143 125 G HA2 -0.172 3.790 3.960 0.004 0.000 0.249 125 G HA3 -0.172 3.790 3.960 0.004 0.000 0.249 125 G C 0.120 175.056 174.900 0.061 0.000 0.981 125 G CA 1.158 46.300 45.100 0.069 0.000 0.665 125 G HN 1.165 nan 8.290 nan 0.000 0.528 126 K N -0.344 120.089 120.400 0.055 0.000 2.316 126 K HA 0.738 5.060 4.320 0.004 0.000 0.251 126 K C 0.732 177.357 176.600 0.043 0.000 0.934 126 K CA 0.425 56.738 56.287 0.043 0.000 0.802 126 K CB 2.007 34.525 32.500 0.031 0.000 1.171 126 K HN 1.514 nan 8.250 nan 0.000 0.426 127 G N 0.862 109.685 108.800 0.038 0.000 2.548 127 G HA2 -0.109 3.853 3.960 0.004 0.000 0.208 127 G HA3 -0.109 3.853 3.960 0.004 0.000 0.208 127 G C -1.951 172.982 174.900 0.056 0.000 1.308 127 G CA -0.629 44.494 45.100 0.038 0.000 0.924 127 G HN 0.550 nan 8.290 nan 0.000 0.540 128 L N -0.298 120.966 121.223 0.068 0.000 2.325 128 L HA 0.891 5.233 4.340 0.004 0.000 0.281 128 L C -0.616 176.336 176.870 0.137 0.000 1.004 128 L CA -0.963 53.932 54.840 0.092 0.000 0.823 128 L CB 1.444 43.548 42.059 0.073 0.000 1.236 128 L HN 1.118 nan 8.230 nan 0.000 0.415 129 L N 6.101 127.395 121.223 0.120 0.000 2.325 129 L HA 0.626 4.968 4.340 0.004 0.000 0.281 129 L C -1.622 175.309 176.870 0.102 0.000 1.004 129 L CA -0.264 54.642 54.840 0.110 0.000 0.823 129 L CB 1.557 43.661 42.059 0.075 0.000 1.236 129 L HN 0.738 nan 8.230 nan 0.000 0.415 130 L N 5.169 126.453 121.223 0.102 0.000 2.325 130 L HA 0.893 5.235 4.340 0.004 0.000 0.281 130 L C -0.632 176.241 176.870 0.004 0.000 1.004 130 L CA -0.328 54.559 54.840 0.077 0.000 0.823 130 L CB 1.551 43.701 42.059 0.151 0.000 1.236 130 L HN 0.826 nan 8.230 nan 0.000 0.415 131 A N 4.007 126.830 122.820 0.004 0.000 2.287 131 A HA 0.549 4.871 4.320 0.004 0.000 0.317 131 A C -0.939 176.636 177.584 -0.015 0.000 1.220 131 A CA -0.599 51.423 52.037 -0.026 0.000 0.835 131 A CB 0.778 19.757 19.000 -0.035 0.000 1.180 131 A HN 0.748 nan 8.150 nan 0.000 0.500 132 N N 1.261 119.945 118.700 -0.027 0.000 2.362 132 N HA 0.525 5.267 4.740 0.004 0.000 0.298 132 N C -1.067 174.425 175.510 -0.031 0.000 1.048 132 N CA -0.180 52.859 53.050 -0.017 0.000 0.858 132 N CB 1.508 39.988 38.487 -0.011 0.000 1.218 132 N HN 0.551 nan 8.380 nan 0.000 0.488 133 E N 2.913 123.097 120.200 -0.027 0.000 2.265 133 E HA 0.202 4.554 4.350 0.004 0.000 0.262 133 E C -0.545 176.037 176.600 -0.029 0.000 0.889 133 E CA -0.667 55.714 56.400 -0.031 0.000 0.789 133 E CB 1.140 30.822 29.700 -0.031 0.000 1.221 133 E HN 0.289 nan 8.360 nan 0.000 0.414 134 V N 3.376 123.272 119.914 -0.030 0.000 2.667 134 V HA -0.019 4.103 4.120 0.004 0.000 0.252 134 V C 0.145 176.223 176.094 -0.027 0.000 1.065 134 V CA 1.705 63.988 62.300 -0.029 0.000 1.083 134 V CB -0.002 31.803 31.823 -0.030 0.000 0.692 134 V HN 0.690 nan 8.190 nan 0.000 0.468 135 D N -0.208 120.177 120.400 -0.026 0.000 2.380 135 D HA 0.282 4.924 4.640 0.004 0.000 0.230 135 D C 1.317 177.603 176.300 -0.023 0.000 1.154 135 D CA 0.554 54.540 54.000 -0.023 0.000 0.859 135 D CB 1.103 41.891 40.800 -0.021 0.000 1.045 135 D HN 0.226 nan 8.370 nan 0.000 0.495 136 G N 3.753 112.539 108.800 -0.023 0.000 2.485 136 G HA2 -0.287 3.675 3.960 0.004 0.000 0.221 136 G HA3 -0.287 3.675 3.960 0.004 0.000 0.221 136 G C 1.352 176.238 174.900 -0.024 0.000 1.115 136 G CA 0.544 45.628 45.100 -0.026 0.000 0.751 136 G HN 0.493 nan 8.290 nan 0.000 0.567 137 K N -0.281 120.108 120.400 -0.018 0.000 2.365 137 K HA 0.053 4.375 4.320 0.004 0.000 0.199 137 K C 2.276 178.867 176.600 -0.013 0.000 1.045 137 K CA 0.473 56.751 56.287 -0.014 0.000 0.962 137 K CB 0.033 32.528 32.500 -0.009 0.000 0.759 137 K HN 0.202 nan 8.250 nan 0.000 0.469 138 R N -0.159 120.331 120.500 -0.016 0.000 2.362 138 R HA 0.098 4.440 4.340 0.004 0.000 0.227 138 R C 1.722 178.013 176.300 -0.015 0.000 0.905 138 R CA -0.101 55.991 56.100 -0.013 0.000 1.067 138 R CB 0.434 30.724 30.300 -0.015 0.000 1.078 138 R HN -0.071 nan 8.270 nan 0.000 0.516 139 V N 1.278 121.178 119.914 -0.024 0.000 2.358 139 V HA -0.252 3.871 4.120 0.004 0.000 0.246 139 V C 2.486 178.562 176.094 -0.030 0.000 1.047 139 V CA 1.800 64.082 62.300 -0.031 0.000 1.035 139 V CB -0.458 31.339 31.823 -0.043 0.000 0.658 139 V HN 0.305 nan 8.190 nan 0.000 0.452 140 R N 0.430 120.912 120.500 -0.030 0.000 2.091 140 R HA -0.164 4.178 4.340 0.004 0.000 0.238 140 R C 2.315 178.615 176.300 0.000 0.000 1.136 140 R CA 2.014 58.099 56.100 -0.026 0.000 0.959 140 R CB -0.815 29.471 30.300 -0.023 0.000 0.856 140 R HN 0.512 nan 8.270 nan 0.000 0.437 141 G N 1.396 110.203 108.800 0.011 0.000 2.418 141 G HA2 -0.277 3.685 3.960 0.004 0.000 0.217 141 G HA3 -0.277 3.685 3.960 0.004 0.000 0.217 141 G C 1.324 176.247 174.900 0.040 0.000 1.158 141 G CA 0.762 45.882 45.100 0.033 0.000 0.771 141 G HN 0.335 nan 8.290 nan 0.000 0.545 142 L N 0.549 121.783 121.223 0.019 0.000 2.017 142 L HA 0.088 4.430 4.340 0.004 0.000 0.208 142 L C 2.716 179.595 176.870 0.015 0.000 1.073 142 L CA 1.389 56.237 54.840 0.012 0.000 0.745 142 L CB -0.568 41.484 42.059 -0.011 0.000 0.894 142 L HN 0.208 nan 8.230 nan 0.000 0.432 143 L N -0.664 120.562 121.223 0.004 0.000 2.042 143 L HA -0.237 4.105 4.340 0.004 0.000 0.210 143 L C 2.542 179.433 176.870 0.034 0.000 1.076 143 L CA 1.634 56.478 54.840 0.007 0.000 0.749 143 L CB -0.636 41.406 42.059 -0.029 0.000 0.893 143 L HN 0.387 nan 8.230 nan 0.000 0.432 144 E N -0.134 120.091 120.200 0.041 0.000 2.110 144 E HA -0.198 4.155 4.350 0.004 0.000 0.193 144 E C 1.934 178.574 176.600 0.065 0.000 0.988 144 E CA 1.010 57.449 56.400 0.064 0.000 0.804 144 E CB -0.052 29.696 29.700 0.081 0.000 0.745 144 E HN 0.479 nan 8.360 nan 0.000 0.458 145 N N 0.350 119.091 118.700 0.068 0.000 2.171 145 N HA -0.100 4.643 4.740 0.004 0.000 0.184 145 N C 1.959 177.524 175.510 0.091 0.000 1.021 145 N CA 0.706 53.803 53.050 0.079 0.000 0.854 145 N CB -0.186 38.391 38.487 0.150 0.000 0.994 145 N HN 0.001 nan 8.380 nan 0.000 0.426 146 V N 1.827 121.782 119.914 0.068 0.000 2.407 146 V HA -0.206 3.916 4.120 0.004 0.000 0.248 146 V C 2.405 178.579 176.094 0.133 0.000 1.055 146 V CA 1.561 63.916 62.300 0.091 0.000 1.049 146 V CB -0.450 31.408 31.823 0.059 0.000 0.662 146 V HN 0.385 nan 8.190 nan 0.000 0.455 147 E N 0.095 120.358 120.200 0.105 0.000 2.085 147 E HA -0.252 4.100 4.350 0.004 0.000 0.194 147 E C 2.459 179.110 176.600 0.085 0.000 0.994 147 E CA 1.377 57.838 56.400 0.102 0.000 0.801 147 E CB -0.063 29.694 29.700 0.095 0.000 0.743 147 E HN 0.530 nan 8.360 nan 0.000 0.453 148 R N -0.297 120.251 120.500 0.080 0.000 2.096 148 R HA -0.129 4.213 4.340 0.004 0.000 0.235 148 R C 2.271 178.616 176.300 0.076 0.000 1.127 148 R CA 1.355 57.476 56.100 0.035 0.000 0.968 148 R CB -0.438 29.827 30.300 -0.057 0.000 0.861 148 R HN 0.487 nan 8.270 nan 0.000 0.440 149 W N 0.581 121.838 121.300 -0.072 0.000 2.436 149 W HA -0.096 4.567 4.660 0.004 0.000 0.284 149 W C 0.722 177.211 176.519 -0.049 0.000 1.225 149 W CA 1.511 58.820 57.345 -0.060 0.000 1.271 149 W CB 0.289 29.733 29.460 -0.026 0.000 1.114 149 W HN 0.399 nan 8.180 nan 0.000 0.559 150 G N 0.199 109.038 108.800 0.064 0.000 2.141 150 G HA2 -0.145 3.817 3.960 0.004 0.000 0.242 150 G HA3 -0.145 3.817 3.960 0.004 0.000 0.242 150 G C -0.159 174.745 174.900 0.006 0.000 0.982 150 G CA 0.036 45.110 45.100 -0.043 0.000 0.662 150 G HN 0.568 nan 8.290 nan 0.000 0.527 151 A N 0.187 123.078 122.820 0.118 0.000 2.330 151 A HA 0.859 5.181 4.320 0.004 0.000 0.327 151 A C -2.396 175.263 177.584 0.125 0.000 1.155 151 A CA -1.612 50.503 52.037 0.130 0.000 0.803 151 A CB 1.406 20.534 19.000 0.213 0.000 1.208 151 A HN 0.076 nan 8.150 nan 0.000 0.477 152 P HA 0.448 nan 4.420 nan 0.000 0.271 152 P C -0.987 176.378 177.300 0.108 0.000 1.226 152 P CA 0.251 63.417 63.100 0.110 0.000 0.765 152 P CB 0.420 32.180 31.700 0.100 0.000 0.835 153 L N 0.346 121.633 121.223 0.107 0.000 2.720 153 L HA 0.934 5.277 4.340 0.004 0.000 0.261 153 L C -1.396 175.520 176.870 0.078 0.000 1.046 153 L CA -1.459 53.434 54.840 0.088 0.000 0.886 153 L CB 1.044 43.150 42.059 0.078 0.000 1.493 153 L HN 0.236 nan 8.230 nan 0.000 0.407 154 A N 0.573 123.430 122.820 0.063 0.000 2.337 154 A HA 0.891 5.214 4.320 0.004 0.000 0.329 154 A C -0.922 176.681 177.584 0.031 0.000 1.146 154 A CA -0.736 51.326 52.037 0.041 0.000 0.800 154 A CB 1.632 20.659 19.000 0.045 0.000 1.220 154 A HN 0.711 nan 8.150 nan 0.000 0.472 155 V N 2.479 122.396 119.914 0.005 0.000 2.448 155 V HA 0.623 4.746 4.120 0.004 0.000 0.295 155 V C 0.409 176.499 176.094 -0.005 0.000 1.025 155 V CA -0.084 62.215 62.300 -0.003 0.000 0.859 155 V CB 1.549 33.361 31.823 -0.018 0.000 0.988 155 V HN 1.125 nan 8.190 nan 0.000 0.431 156 T N 1.711 116.275 114.554 0.016 0.000 2.942 156 T HA 0.647 5.000 4.350 0.004 0.000 0.289 156 T C -0.617 174.081 174.700 -0.002 0.000 1.044 156 T CA -0.757 61.356 62.100 0.022 0.000 1.023 156 T CB 2.200 71.116 68.868 0.079 0.000 1.123 156 T HN 0.598 nan 8.240 nan 0.000 0.512 157 Q N 0.669 120.462 119.800 -0.012 0.000 2.771 157 Q HA 0.590 4.932 4.340 0.004 0.000 0.247 157 Q C -1.526 174.458 176.000 -0.026 0.000 0.986 157 Q CA -0.721 55.068 55.803 -0.023 0.000 0.713 157 Q CB 0.468 29.188 28.738 -0.030 0.000 1.241 157 Q HN 1.064 nan 8.270 nan 0.000 0.488 158 A N 3.513 126.316 122.820 -0.028 0.000 2.606 158 A HA 0.780 5.102 4.320 0.004 0.000 0.293 158 A C -2.964 174.596 177.584 -0.041 0.000 1.082 158 A CA -1.380 50.634 52.037 -0.039 0.000 0.685 158 A CB 1.541 20.509 19.000 -0.054 0.000 1.284 158 A HN 0.483 nan 8.150 nan 0.000 0.408 159 P HA 0.280 nan 4.420 nan 0.000 0.271 159 P C -2.056 175.215 177.300 -0.048 0.000 1.216 159 P CA -1.012 62.063 63.100 -0.042 0.000 0.776 159 P CB 0.361 32.037 31.700 -0.040 0.000 0.881 160 P HA -0.195 nan 4.420 nan 0.000 0.217 160 P C 1.583 178.858 177.300 -0.043 0.000 1.151 160 P CA 1.467 64.543 63.100 -0.041 0.000 0.849 160 P CB -0.054 31.623 31.700 -0.038 0.000 0.787 161 R N -0.084 120.393 120.500 -0.039 0.000 2.103 161 R HA -0.183 4.159 4.340 0.004 0.000 0.242 161 R C 2.016 178.280 176.300 -0.060 0.000 1.142 161 R CA 1.921 57.999 56.100 -0.036 0.000 0.960 161 R CB -0.846 29.437 30.300 -0.029 0.000 0.858 161 R HN 0.097 nan 8.270 nan 0.000 0.439 162 A N 0.887 123.659 122.820 -0.080 0.000 1.930 162 A HA -0.070 4.253 4.320 0.004 0.000 0.217 162 A C 2.193 179.652 177.584 -0.209 0.000 1.175 162 A CA 1.011 52.977 52.037 -0.119 0.000 0.627 162 A CB -0.373 18.563 19.000 -0.106 0.000 0.815 162 A HN 0.342 nan 8.150 nan 0.000 0.443 163 L N -0.825 120.270 121.223 -0.214 0.000 2.056 163 L HA -0.183 4.160 4.340 0.004 0.000 0.207 163 L C 3.115 179.827 176.870 -0.264 0.000 1.078 163 L CA 1.079 55.696 54.840 -0.371 0.000 0.749 163 L CB -0.698 41.289 42.059 -0.121 0.000 0.901 163 L HN 0.434 nan 8.230 nan 0.000 0.433 164 A N -0.074 122.703 122.820 -0.072 0.000 1.908 164 A HA -0.198 4.124 4.320 0.004 0.000 0.218 164 A C 2.188 179.765 177.584 -0.012 0.000 1.181 164 A CA 1.549 53.598 52.037 0.020 0.000 0.627 164 A CB -0.348 18.671 19.000 0.031 0.000 0.818 164 A HN 0.388 nan 8.150 nan 0.000 0.445 165 E N -0.112 120.046 120.200 -0.070 0.000 2.106 165 E HA -0.095 4.257 4.350 0.004 0.000 0.192 165 E C 2.212 178.754 176.600 -0.097 0.000 0.984 165 E CA 1.239 57.600 56.400 -0.064 0.000 0.806 165 E CB -0.514 29.144 29.700 -0.069 0.000 0.750 165 E HN 0.615 nan 8.360 nan 0.000 0.458 166 A N 0.085 122.765 122.820 -0.234 0.000 1.935 166 A HA -0.004 4.318 4.320 0.004 0.000 0.214 166 A C 1.583 179.113 177.584 -0.090 0.000 1.178 166 A CA 0.761 52.624 52.037 -0.291 0.000 0.640 166 A CB -0.153 18.485 19.000 -0.604 0.000 0.825 166 A HN 0.117 nan 8.150 nan 0.000 0.447 167 F N -1.115 118.853 119.950 0.031 0.000 2.653 167 F HA 0.421 4.950 4.527 0.004 0.000 0.288 167 F C 1.740 177.570 175.800 0.049 0.000 1.121 167 F CA -0.072 57.929 58.000 0.002 0.000 1.384 167 F CB -0.979 38.117 39.000 0.160 0.000 1.115 167 F HN 0.399 nan 8.300 nan 0.000 0.599 168 G N 0.723 109.678 108.800 0.258 0.000 2.601 168 G HA2 -0.284 3.679 3.960 0.004 0.000 0.261 168 G HA3 -0.284 3.679 3.960 0.004 0.000 0.261 168 G C 0.283 175.357 174.900 0.291 0.000 1.289 168 G CA -0.051 45.176 45.100 0.211 0.000 0.920 168 G HN 0.495 nan 8.290 nan 0.000 0.571 169 T N -2.300 112.385 114.554 0.218 0.000 3.859 169 T HA 0.364 4.716 4.350 0.004 0.000 0.251 169 T C 0.607 175.482 174.700 0.291 0.000 1.079 169 T CA 0.855 63.065 62.100 0.184 0.000 1.151 169 T CB 0.277 69.158 68.868 0.021 0.000 1.173 169 T HN 0.914 nan 8.240 nan 0.000 0.885 170 Y N 1.590 122.011 120.300 0.202 0.000 2.535 170 Y HA 0.473 5.025 4.550 0.004 0.000 0.266 170 Y C -0.104 175.757 175.900 -0.064 0.000 1.088 170 Y CA -1.750 56.381 58.100 0.052 0.000 1.285 170 Y CB 0.498 38.810 38.460 -0.247 0.000 1.166 170 Y HN 0.477 nan 8.280 nan 0.000 0.525 171 F N -0.386 119.627 119.950 0.105 0.000 2.397 171 F HA 0.280 4.809 4.527 0.004 0.000 0.331 171 F C 1.214 177.022 175.800 0.013 0.000 1.090 171 F CA -0.300 57.675 58.000 -0.041 0.000 1.065 171 F CB 1.096 40.127 39.000 0.052 0.000 1.184 171 F HN -0.049 nan 8.300 nan 0.000 0.499 172 H N 0.109 119.381 119.070 0.336 0.000 2.403 172 H HA 0.194 4.752 4.556 0.004 0.000 0.298 172 H C -0.055 175.397 175.328 0.206 0.000 1.059 172 H CA 0.883 57.104 56.048 0.288 0.000 1.363 172 H CB 0.277 30.152 29.762 0.188 0.000 1.410 172 H HN 0.297 nan 8.280 nan 0.000 0.528 173 R N 0.473 121.160 120.500 0.312 0.000 2.673 173 R HA 0.549 4.891 4.340 0.004 0.000 0.281 173 R C -1.644 174.735 176.300 0.132 0.000 0.991 173 R CA -0.742 55.475 56.100 0.194 0.000 0.896 173 R CB 3.143 33.529 30.300 0.143 0.000 1.201 173 R HN -0.132 nan 8.270 nan 0.000 0.457 174 V N 3.389 123.353 119.914 0.082 0.000 2.588 174 V HA 0.406 4.528 4.120 0.004 0.000 0.304 174 V C -1.056 175.034 176.094 -0.007 0.000 1.042 174 V CA -0.904 61.392 62.300 -0.008 0.000 0.877 174 V CB 2.074 33.890 31.823 -0.011 0.000 0.996 174 V HN 0.522 nan 8.190 nan 0.000 0.425 175 L N 5.864 127.059 121.223 -0.046 0.000 2.313 175 L HA 0.735 5.077 4.340 0.004 0.000 0.283 175 L C -1.027 175.815 176.870 -0.048 0.000 1.013 175 L CA -0.377 54.441 54.840 -0.037 0.000 0.816 175 L CB 1.526 43.553 42.059 -0.054 0.000 1.236 175 L HN 0.627 nan 8.230 nan 0.000 0.419 176 L N 4.798 126.009 121.223 -0.020 0.000 2.337 176 L HA 0.479 4.822 4.340 0.004 0.000 0.269 176 L C -0.939 175.903 176.870 -0.048 0.000 1.018 176 L CA -0.131 54.703 54.840 -0.010 0.000 0.876 176 L CB 0.747 42.834 42.059 0.047 0.000 1.236 176 L HN 0.697 nan 8.230 nan 0.000 0.436 177 D N 4.215 124.564 120.400 -0.084 0.000 2.468 177 D HA 0.458 5.100 4.640 0.004 0.000 0.218 177 D C 0.002 176.227 176.300 -0.125 0.000 1.155 177 D CA 0.018 53.941 54.000 -0.128 0.000 0.924 177 D CB 0.891 41.638 40.800 -0.090 0.000 1.029 177 D HN 0.650 nan 8.370 nan 0.000 0.515 178 A N 4.531 127.250 122.820 -0.169 0.000 2.371 178 A HA 0.506 4.828 4.320 0.004 0.000 0.257 178 A C -2.042 175.484 177.584 -0.096 0.000 1.089 178 A CA -1.168 50.819 52.037 -0.083 0.000 0.794 178 A CB 0.087 19.103 19.000 0.028 0.000 1.029 178 A HN 0.522 nan 8.150 nan 0.000 0.488 179 P HA 0.256 nan 4.420 nan 0.000 0.264 179 P C -0.148 177.112 177.300 -0.067 0.000 1.193 179 P CA 0.158 63.219 63.100 -0.064 0.000 0.763 179 P CB 0.038 31.712 31.700 -0.044 0.000 0.810 180 C N 0.333 119.580 119.300 -0.088 0.000 3.316 180 C HA 0.513 4.975 4.460 0.004 0.000 0.360 180 C C 1.842 176.787 174.990 -0.076 0.000 1.560 180 C CA 0.039 59.001 59.018 -0.092 0.000 1.229 180 C CB 1.067 28.716 27.740 -0.151 0.000 1.823 180 C HN 0.535 nan 8.230 nan 0.000 0.440 181 S N -0.063 115.604 115.700 -0.054 0.000 2.555 181 S HA 0.329 4.801 4.470 0.004 0.000 0.230 181 S C 1.546 176.157 174.600 0.018 0.000 0.978 181 S CA 1.316 59.537 58.200 0.036 0.000 0.934 181 S CB -0.981 62.295 63.200 0.128 0.000 0.766 181 S HN 2.917 nan 8.310 nan 0.000 0.533 182 G N 1.485 110.184 108.800 -0.168 0.000 2.225 182 G HA2 -0.307 3.655 3.960 0.004 0.000 0.267 182 G HA3 -0.307 3.655 3.960 0.004 0.000 0.267 182 G C 0.384 174.913 174.900 -0.618 0.000 1.024 182 G CA 0.514 45.436 45.100 -0.297 0.000 0.784 182 G HN 0.628 nan 8.290 nan 0.000 0.507 183 E N -0.525 119.199 120.200 -0.793 0.000 2.268 183 E HA 0.054 4.407 4.350 0.004 0.000 0.195 183 E C 2.543 178.488 176.600 -1.093 0.000 0.995 183 E CA 0.632 56.141 56.400 -1.484 0.000 0.836 183 E CB -0.152 29.106 29.700 -0.736 0.000 0.763 183 E HN 0.531 nan 8.360 nan 0.000 0.491 184 G N 0.391 108.659 108.800 -0.886 0.000 2.776 184 G HA2 -0.136 3.826 3.960 0.004 0.000 0.209 184 G HA3 -0.136 3.826 3.960 0.004 0.000 0.209 184 G C 1.282 176.008 174.900 -0.290 0.000 1.145 184 G CA 0.176 44.927 45.100 -0.581 0.000 0.791 184 G HN 0.081 nan 8.290 nan 0.000 0.530 185 M N -0.279 119.109 119.600 -0.355 0.000 2.441 185 M HA 0.331 4.813 4.480 0.004 0.000 0.244 185 M C 1.459 177.761 176.300 0.003 0.000 1.122 185 M CA -0.330 54.879 55.300 -0.153 0.000 1.041 185 M CB -0.656 31.864 32.600 -0.133 0.000 1.438 185 M HN 0.090 nan 8.290 nan 0.000 0.484 186 F N 1.370 121.264 119.950 -0.093 0.000 2.126 186 F HA -0.143 4.386 4.527 0.003 0.000 0.299 186 F C 2.649 178.413 175.800 -0.061 0.000 1.096 186 F CA 1.354 59.293 58.000 -0.103 0.000 1.255 186 F CB -1.209 37.688 39.000 -0.171 0.000 0.997 186 F HN 0.224 nan 8.300 nan 0.000 0.479 187 R N 0.549 121.142 120.500 0.157 0.000 2.092 187 R HA -0.119 4.223 4.340 0.004 0.000 0.231 187 R C 1.881 178.200 176.300 0.032 0.000 1.119 187 R CA 1.418 57.562 56.100 0.073 0.000 0.970 187 R CB -0.055 30.274 30.300 0.048 0.000 0.864 187 R HN 0.191 nan 8.270 nan 0.000 0.440 188 K N -0.984 119.425 120.400 0.014 0.000 2.379 188 K HA 0.001 4.324 4.320 0.004 0.000 0.194 188 K C -0.294 176.316 176.600 0.017 0.000 1.031 188 K CA 0.259 56.538 56.287 -0.013 0.000 1.037 188 K CB 0.531 32.985 32.500 -0.077 0.000 0.824 188 K HN 0.013 nan 8.250 nan 0.000 0.516 189 D N 1.041 121.465 120.400 0.040 0.000 2.346 189 D HA 0.037 4.680 4.640 0.004 0.000 0.255 189 D C 0.492 176.828 176.300 0.060 0.000 1.276 189 D CA -0.363 53.664 54.000 0.045 0.000 0.941 189 D CB 0.652 41.474 40.800 0.036 0.000 1.199 189 D HN -0.040 nan 8.370 nan 0.000 0.537 190 R N 2.231 122.752 120.500 0.035 0.000 2.395 190 R HA -0.061 4.281 4.340 0.004 0.000 0.203 190 R C 0.808 177.115 176.300 0.011 0.000 1.076 190 R CA 0.355 56.462 56.100 0.011 0.000 1.059 190 R CB -0.165 30.136 30.300 0.001 0.000 0.860 190 R HN 0.406 nan 8.270 nan 0.000 0.476 191 E N 0.810 121.036 120.200 0.043 0.000 2.465 191 E HA 0.111 4.463 4.350 0.004 0.000 0.209 191 E C 1.336 178.010 176.600 0.123 0.000 0.951 191 E CA 0.499 56.939 56.400 0.068 0.000 0.997 191 E CB 0.279 30.020 29.700 0.067 0.000 1.025 191 E HN 0.268 nan 8.360 nan 0.000 0.500 192 A N 1.413 124.312 122.820 0.132 0.000 2.024 192 A HA -0.052 4.270 4.320 0.004 0.000 0.220 192 A C 2.347 180.123 177.584 0.320 0.000 1.164 192 A CA 1.650 53.816 52.037 0.215 0.000 0.643 192 A CB -0.560 18.588 19.000 0.246 0.000 0.806 192 A HN 0.315 nan 8.150 nan 0.000 0.451 193 A N -0.520 122.338 122.820 0.064 0.000 2.019 193 A HA -0.146 4.177 4.320 0.004 0.000 0.219 193 A C 2.179 179.803 177.584 0.067 0.000 1.164 193 A CA 1.544 53.440 52.037 -0.235 0.000 0.644 193 A CB -0.450 18.206 19.000 -0.572 0.000 0.805 193 A HN 0.551 nan 8.150 nan 0.000 0.449 194 R N -1.048 119.529 120.500 0.128 0.000 2.092 194 R HA -0.098 4.244 4.340 0.004 0.000 0.231 194 R C 1.538 177.900 176.300 0.102 0.000 1.119 194 R CA 1.341 57.503 56.100 0.103 0.000 0.970 194 R CB -0.294 30.056 30.300 0.083 0.000 0.864 194 R HN 0.733 nan 8.270 nan 0.000 0.440 195 H N -2.408 116.736 119.070 0.123 0.000 2.547 195 H HA -0.084 4.474 4.556 0.003 0.000 0.266 195 H C -0.213 175.210 175.328 0.157 0.000 0.988 195 H CA 0.060 56.174 56.048 0.110 0.000 1.147 195 H CB 0.097 29.912 29.762 0.088 0.000 1.365 195 H HN 0.206 nan 8.280 nan 0.000 0.589 196 W N 1.262 122.652 121.300 0.151 0.000 2.381 196 W HA 0.434 5.096 4.660 0.004 0.000 0.329 196 W C -0.024 176.540 176.519 0.074 0.000 1.157 196 W CA -0.047 57.380 57.345 0.137 0.000 1.240 196 W CB 1.243 30.844 29.460 0.235 0.000 1.199 196 W HN -0.005 nan 8.180 nan 0.000 0.579 197 G N 4.159 112.561 108.800 -0.663 0.000 2.690 197 G HA2 0.392 4.354 3.960 0.004 0.000 0.291 197 G HA3 0.392 4.354 3.960 0.004 0.000 0.291 197 G C -2.668 171.444 174.900 -1.314 0.000 1.403 197 G CA -1.142 43.586 45.100 -0.620 0.000 0.864 197 G HN 0.219 nan 8.290 nan 0.000 0.480 198 P HA -0.054 nan 4.420 nan 0.000 0.220 198 P C 1.714 178.801 177.300 -0.355 0.000 1.148 198 P CA 1.789 64.635 63.100 -0.422 0.000 0.803 198 P CB 0.332 31.991 31.700 -0.070 0.000 0.782 199 S N -2.229 113.273 115.700 -0.331 0.000 2.540 199 S HA 0.372 4.844 4.470 0.004 0.000 0.218 199 S C 1.781 176.228 174.600 -0.255 0.000 0.977 199 S CA 0.216 58.279 58.200 -0.227 0.000 0.918 199 S CB -0.642 62.469 63.200 -0.149 0.000 0.806 199 S HN 0.044 nan 8.310 nan 0.000 0.496 200 A N 3.115 125.695 122.820 -0.401 0.000 1.902 200 A HA 0.150 4.472 4.320 0.004 0.000 0.217 200 A C -0.121 177.331 177.584 -0.220 0.000 1.181 200 A CA 1.258 53.098 52.037 -0.328 0.000 0.623 200 A CB -1.691 17.036 19.000 -0.456 0.000 0.818 200 A HN 0.518 nan 8.150 nan 0.000 0.443 201 P HA -0.152 nan 4.420 nan 0.000 0.216 201 P C 1.577 178.824 177.300 -0.089 0.000 1.153 201 P CA 1.491 64.535 63.100 -0.092 0.000 0.848 201 P CB -0.036 31.649 31.700 -0.024 0.000 0.787 202 K N -0.025 120.315 120.400 -0.099 0.000 2.063 202 K HA -0.157 4.165 4.320 0.004 0.000 0.208 202 K C 2.160 178.710 176.600 -0.084 0.000 1.048 202 K CA 1.426 57.663 56.287 -0.084 0.000 0.928 202 K CB -0.112 32.340 32.500 -0.080 0.000 0.713 202 K HN -0.023 nan 8.250 nan 0.000 0.442 203 R N -0.247 120.197 120.500 -0.094 0.000 2.090 203 R HA -0.013 4.330 4.340 0.004 0.000 0.228 203 R C 2.391 178.646 176.300 -0.075 0.000 1.110 203 R CA 1.474 57.525 56.100 -0.082 0.000 0.973 203 R CB -0.166 30.083 30.300 -0.085 0.000 0.869 203 R HN 0.228 nan 8.270 nan 0.000 0.440 204 M N 0.034 119.589 119.600 -0.076 0.000 2.229 204 M HA -0.061 4.422 4.480 0.004 0.000 0.264 204 M C 2.399 178.668 176.300 -0.052 0.000 1.063 204 M CA 1.347 56.611 55.300 -0.059 0.000 1.114 204 M CB -0.110 32.456 32.600 -0.057 0.000 1.387 204 M HN 0.223 nan 8.290 nan 0.000 0.420 205 A N 0.242 123.025 122.820 -0.062 0.000 1.908 205 A HA -0.160 4.162 4.320 0.004 0.000 0.218 205 A C 2.002 179.522 177.584 -0.106 0.000 1.181 205 A CA 1.533 53.527 52.037 -0.071 0.000 0.627 205 A CB -0.464 18.490 19.000 -0.077 0.000 0.818 205 A HN 0.364 nan 8.150 nan 0.000 0.445 206 E N -0.152 119.985 120.200 -0.105 0.000 2.106 206 E HA -0.096 4.257 4.350 0.004 0.000 0.192 206 E C 2.191 178.731 176.600 -0.101 0.000 0.984 206 E CA 1.223 57.550 56.400 -0.122 0.000 0.806 206 E CB -0.673 28.970 29.700 -0.095 0.000 0.750 206 E HN 0.401 nan 8.360 nan 0.000 0.458 207 V N 1.339 121.210 119.914 -0.073 0.000 2.358 207 V HA -0.258 3.864 4.120 0.004 0.000 0.246 207 V C 2.359 178.421 176.094 -0.052 0.000 1.047 207 V CA 1.702 63.969 62.300 -0.055 0.000 1.035 207 V CB -0.485 31.313 31.823 -0.042 0.000 0.658 207 V HN 0.228 nan 8.190 nan 0.000 0.452 208 Q N -0.145 119.628 119.800 -0.045 0.000 2.084 208 Q HA -0.229 4.113 4.340 0.004 0.000 0.202 208 Q C 2.312 178.238 176.000 -0.124 0.000 0.978 208 Q CA 1.681 57.468 55.803 -0.028 0.000 0.844 208 Q CB -0.229 28.541 28.738 0.054 0.000 0.898 208 Q HN 0.584 nan 8.270 nan 0.000 0.426 209 K N 0.192 120.498 120.400 -0.156 0.000 2.057 209 K HA -0.128 4.194 4.320 0.004 0.000 0.207 209 K C 2.087 178.646 176.600 -0.070 0.000 1.049 209 K CA 1.220 57.406 56.287 -0.168 0.000 0.931 209 K CB -0.180 32.099 32.500 -0.369 0.000 0.714 209 K HN 0.169 nan 8.250 nan 0.000 0.440 210 A N 1.258 124.038 122.820 -0.066 0.000 1.898 210 A HA -0.093 4.229 4.320 0.004 0.000 0.216 210 A C 2.103 179.669 177.584 -0.029 0.000 1.181 210 A CA 1.099 53.122 52.037 -0.023 0.000 0.620 210 A CB -0.568 18.414 19.000 -0.029 0.000 0.819 210 A HN 0.143 nan 8.150 nan 0.000 0.442 211 L N -1.165 120.027 121.223 -0.052 0.000 2.083 211 L HA -0.164 4.178 4.340 0.004 0.000 0.209 211 L C 2.504 179.312 176.870 -0.103 0.000 1.083 211 L CA 0.843 55.648 54.840 -0.058 0.000 0.752 211 L CB -0.456 41.580 42.059 -0.039 0.000 0.899 211 L HN 0.360 nan 8.230 nan 0.000 0.433 212 L N -0.067 121.051 121.223 -0.174 0.000 2.093 212 L HA -0.082 4.261 4.340 0.004 0.000 0.208 212 L C 2.654 179.367 176.870 -0.260 0.000 1.085 212 L CA 1.818 56.437 54.840 -0.370 0.000 0.755 212 L CB -0.803 40.863 42.059 -0.655 0.000 0.904 212 L HN 0.139 nan 8.230 nan 0.000 0.435 213 A N -1.408 121.390 122.820 -0.037 0.000 1.902 213 A HA -0.218 4.105 4.320 0.004 0.000 0.217 213 A C 2.138 179.736 177.584 0.024 0.000 1.181 213 A CA 1.457 53.536 52.037 0.071 0.000 0.623 213 A CB -0.417 18.703 19.000 0.200 0.000 0.818 213 A HN 0.500 nan 8.150 nan 0.000 0.443 214 Q N -0.545 119.252 119.800 -0.005 0.000 2.119 214 Q HA -0.063 4.279 4.340 0.004 0.000 0.201 214 Q C 2.430 178.422 176.000 -0.014 0.000 0.972 214 Q CA 1.503 57.306 55.803 -0.000 0.000 0.847 214 Q CB -0.817 27.914 28.738 -0.012 0.000 0.903 214 Q HN 0.654 nan 8.270 nan 0.000 0.433 215 A N 1.386 124.163 122.820 -0.072 0.000 1.940 215 A HA -0.210 4.112 4.320 0.004 0.000 0.219 215 A C 2.376 179.942 177.584 -0.031 0.000 1.176 215 A CA 2.207 54.196 52.037 -0.081 0.000 0.631 215 A CB -0.660 18.241 19.000 -0.164 0.000 0.814 215 A HN 0.503 nan 8.150 nan 0.000 0.446 216 S N -0.096 115.563 115.700 -0.068 0.000 2.423 216 S HA -0.147 4.325 4.470 0.004 0.000 0.231 216 S C 1.734 176.435 174.600 0.169 0.000 1.014 216 S CA 1.084 59.331 58.200 0.077 0.000 0.965 216 S CB -0.442 62.694 63.200 -0.106 0.000 0.785 216 S HN 0.640 nan 8.310 nan 0.000 0.495 217 R N 0.348 120.916 120.500 0.113 0.000 2.323 217 R HA 0.306 4.648 4.340 0.004 0.000 0.198 217 R C 1.011 177.402 176.300 0.152 0.000 0.988 217 R CA 0.446 56.619 56.100 0.123 0.000 1.041 217 R CB -0.306 30.050 30.300 0.095 0.000 0.926 217 R HN 0.413 nan 8.270 nan 0.000 0.476 218 L N -0.001 121.328 121.223 0.175 0.000 2.766 218 L HA 0.253 4.596 4.340 0.004 0.000 0.242 218 L C 0.094 177.161 176.870 0.328 0.000 1.136 218 L CA -0.031 54.982 54.840 0.290 0.000 0.933 218 L CB 0.661 42.863 42.059 0.240 0.000 1.241 218 L HN 0.068 nan 8.230 nan 0.000 0.522 219 L N 0.370 121.710 121.223 0.194 0.000 2.296 219 L HA 0.549 4.891 4.340 0.004 0.000 0.286 219 L C 0.566 177.366 176.870 -0.116 0.000 1.023 219 L CA -0.428 54.483 54.840 0.118 0.000 0.812 219 L CB 1.610 43.771 42.059 0.170 0.000 1.223 219 L HN 0.049 nan 8.230 nan 0.000 0.421 220 G N 4.202 112.766 108.800 -0.393 0.000 2.599 220 G HA2 0.360 4.322 3.960 0.004 0.000 0.264 220 G HA3 0.360 4.322 3.960 0.004 0.000 0.264 220 G C -2.664 171.678 174.900 -0.930 0.000 1.200 220 G CA -1.062 43.301 45.100 -1.228 0.000 0.896 220 G HN 0.387 nan 8.290 nan 0.000 0.536 221 P HA 0.173 nan 4.420 nan 0.000 0.265 221 P C 0.939 178.083 177.300 -0.259 0.000 1.193 221 P CA 1.427 64.225 63.100 -0.503 0.000 0.765 221 P CB 0.932 32.391 31.700 -0.400 0.000 0.823 222 G N 1.745 110.452 108.800 -0.155 0.000 2.179 222 G HA2 -0.191 3.771 3.960 0.004 0.000 0.260 222 G HA3 -0.191 3.771 3.960 0.004 0.000 0.260 222 G C 0.660 175.570 174.900 0.016 0.000 0.977 222 G CA -0.075 45.008 45.100 -0.029 0.000 0.641 222 G HN 0.894 nan 8.290 nan 0.000 0.533 223 G N -0.999 107.783 108.800 -0.031 0.000 2.636 223 G HA2 0.538 4.500 3.960 0.004 0.000 0.246 223 G HA3 0.538 4.500 3.960 0.004 0.000 0.246 223 G C -0.047 174.915 174.900 0.103 0.000 1.216 223 G CA 0.363 45.504 45.100 0.068 0.000 0.854 223 G HN 0.995 nan 8.290 nan 0.000 0.572 224 V N 1.317 121.324 119.914 0.155 0.000 2.459 224 V HA 0.451 4.574 4.120 0.004 0.000 0.295 224 V C -0.318 175.898 176.094 0.203 0.000 1.029 224 V CA -0.656 61.748 62.300 0.173 0.000 0.874 224 V CB 1.370 33.272 31.823 0.130 0.000 0.985 224 V HN 0.630 nan 8.190 nan 0.000 0.438 225 L N 6.306 127.699 121.223 0.283 0.000 2.341 225 L HA 0.775 5.118 4.340 0.004 0.000 0.278 225 L C -0.714 176.327 176.870 0.285 0.000 1.005 225 L CA -0.036 54.955 54.840 0.251 0.000 0.818 225 L CB 1.936 44.137 42.059 0.236 0.000 1.259 225 L HN 0.423 nan 8.230 nan 0.000 0.418 226 V N 5.184 125.196 119.914 0.164 0.000 2.540 226 V HA 0.403 4.525 4.120 0.004 0.000 0.302 226 V C -1.283 174.904 176.094 0.155 0.000 1.035 226 V CA -0.615 61.767 62.300 0.138 0.000 0.873 226 V CB 1.603 33.445 31.823 0.031 0.000 0.992 226 V HN 0.683 nan 8.190 nan 0.000 0.428 227 Y N 4.305 124.636 120.300 0.052 0.000 2.352 227 Y HA 0.726 5.278 4.550 0.004 0.000 0.339 227 Y C 0.107 176.003 175.900 -0.006 0.000 0.992 227 Y CA -0.584 57.530 58.100 0.023 0.000 1.100 227 Y CB 1.877 40.400 38.460 0.105 0.000 1.192 227 Y HN 0.702 nan 8.280 nan 0.000 0.458 228 S N 3.373 118.739 115.700 -0.558 0.000 2.549 228 S HA 0.848 5.320 4.470 0.004 0.000 0.280 228 S C -0.761 173.491 174.600 -0.580 0.000 1.109 228 S CA -0.376 57.556 58.200 -0.447 0.000 0.905 228 S CB 1.757 64.861 63.200 -0.161 0.000 1.081 228 S HN 0.966 nan 8.310 nan 0.000 0.477 229 T N -2.021 112.263 114.554 -0.450 0.000 2.896 229 T HA 0.538 4.891 4.350 0.004 0.000 0.297 229 T C 0.358 174.610 174.700 -0.748 0.000 1.108 229 T CA -0.597 61.215 62.100 -0.480 0.000 1.004 229 T CB 0.849 69.507 68.868 -0.350 0.000 1.159 229 T HN 1.553 nan 8.240 nan 0.000 0.499 230 C N 0.829 119.686 119.300 -0.738 0.000 2.306 230 C HA 0.677 5.139 4.460 0.004 0.000 0.341 230 C C 0.610 175.185 174.990 -0.691 0.000 1.381 230 C CA -0.498 58.001 59.018 -0.864 0.000 1.784 230 C CB -2.319 25.062 27.740 -0.598 0.000 2.555 230 C HN 0.978 nan 8.230 nan 0.000 0.565 231 T N -1.109 113.062 114.554 -0.637 0.000 2.887 231 T HA 0.662 5.015 4.350 0.004 0.000 0.292 231 T C -0.056 174.278 174.700 -0.609 0.000 1.087 231 T CA -0.235 61.484 62.100 -0.636 0.000 1.009 231 T CB 0.971 69.644 68.868 -0.326 0.000 1.203 231 T HN 0.199 nan 8.240 nan 0.000 0.518 232 F N 1.129 121.033 119.950 -0.077 0.000 2.678 232 F HA 0.495 5.025 4.527 0.004 0.000 0.291 232 F C 1.707 177.463 175.800 -0.073 0.000 1.123 232 F CA -0.337 57.614 58.000 -0.081 0.000 1.395 232 F CB -0.429 38.641 39.000 0.117 0.000 1.121 232 F HN 0.590 nan 8.300 nan 0.000 0.592 233 A N 2.287 125.185 122.820 0.131 0.000 2.561 233 A HA 0.112 4.434 4.320 0.004 0.000 0.251 233 A C -1.476 176.030 177.584 -0.129 0.000 1.062 233 A CA -0.809 51.247 52.037 0.032 0.000 0.761 233 A CB -0.300 18.766 19.000 0.110 0.000 0.986 233 A HN 0.072 nan 8.150 nan 0.000 0.510 234 P HA -0.151 nan 4.420 nan 0.000 0.216 234 P C 0.945 178.158 177.300 -0.145 0.000 1.150 234 P CA 1.422 64.371 63.100 -0.252 0.000 0.837 234 P CB 0.188 31.540 31.700 -0.580 0.000 0.786 235 E N -0.001 120.122 120.200 -0.128 0.000 2.130 235 E HA -0.203 4.149 4.350 0.004 0.000 0.196 235 E C 1.712 178.270 176.600 -0.069 0.000 0.998 235 E CA 1.286 57.639 56.400 -0.078 0.000 0.806 235 E CB -0.678 28.980 29.700 -0.069 0.000 0.738 235 E HN 0.467 nan 8.360 nan 0.000 0.459 236 E N -0.378 119.772 120.200 -0.083 0.000 2.478 236 E HA 0.041 4.393 4.350 0.004 0.000 0.194 236 E C 0.775 177.349 176.600 -0.044 0.000 1.045 236 E CA -0.005 56.369 56.400 -0.044 0.000 0.868 236 E CB 0.270 29.942 29.700 -0.047 0.000 0.885 236 E HN 0.172 nan 8.360 nan 0.000 0.505 237 N N 0.560 119.108 118.700 -0.252 0.000 2.528 237 N HA 0.004 4.746 4.740 0.004 0.000 0.208 237 N C 1.389 176.652 175.510 -0.412 0.000 1.218 237 N CA 0.254 52.849 53.050 -0.758 0.000 1.112 237 N CB -0.440 37.150 38.487 -1.494 0.000 1.423 237 N HN -0.117 nan 8.380 nan 0.000 0.497 238 E N 0.737 120.760 120.200 -0.295 0.000 2.160 238 E HA -0.035 4.317 4.350 0.004 0.000 0.195 238 E C 1.772 178.444 176.600 0.121 0.000 0.991 238 E CA 1.289 57.749 56.400 0.100 0.000 0.810 238 E CB -0.609 29.225 29.700 0.224 0.000 0.742 238 E HN 0.524 nan 8.360 nan 0.000 0.466 239 G N 0.302 109.137 108.800 0.058 0.000 2.421 239 G HA2 -0.253 3.709 3.960 0.004 0.000 0.216 239 G HA3 -0.253 3.709 3.960 0.004 0.000 0.216 239 G C 1.734 176.680 174.900 0.077 0.000 1.171 239 G CA 0.947 46.087 45.100 0.066 0.000 0.775 239 G HN 0.200 nan 8.290 nan 0.000 0.543 240 V N 0.371 120.302 119.914 0.027 0.000 2.307 240 V HA -0.150 3.972 4.120 0.004 0.000 0.245 240 V C 3.045 179.181 176.094 0.070 0.000 1.045 240 V CA 1.441 63.728 62.300 -0.022 0.000 1.024 240 V CB -0.301 31.421 31.823 -0.168 0.000 0.651 240 V HN 0.242 nan 8.190 nan 0.000 0.449 241 V N 0.348 120.352 119.914 0.149 0.000 2.343 241 V HA -0.266 3.857 4.120 0.004 0.000 0.247 241 V C 2.710 179.009 176.094 0.343 0.000 1.051 241 V CA 2.064 64.557 62.300 0.322 0.000 1.036 241 V CB -1.143 30.941 31.823 0.436 0.000 0.654 241 V HN 0.561 nan 8.190 nan 0.000 0.451 242 A N -0.460 122.513 122.820 0.256 0.000 1.902 242 A HA -0.313 4.010 4.320 0.004 0.000 0.217 242 A C 2.106 179.803 177.584 0.189 0.000 1.181 242 A CA 2.367 54.530 52.037 0.209 0.000 0.623 242 A CB -0.890 18.209 19.000 0.165 0.000 0.818 242 A HN 0.789 nan 8.150 nan 0.000 0.443 243 H N -1.975 117.158 119.070 0.105 0.000 2.321 243 H HA -0.157 4.402 4.556 0.004 0.000 0.300 243 H C 1.755 177.138 175.328 0.091 0.000 1.087 243 H CA 2.113 58.204 56.048 0.071 0.000 1.319 243 H CB -0.338 29.453 29.762 0.048 0.000 1.379 243 H HN 0.452 nan 8.280 nan 0.000 0.501 244 F N 0.780 120.822 119.950 0.153 0.000 2.095 244 F HA -0.183 4.346 4.527 0.004 0.000 0.298 244 F C 2.014 177.844 175.800 0.050 0.000 1.104 244 F CA 1.566 59.601 58.000 0.058 0.000 1.232 244 F CB -0.507 38.373 39.000 -0.201 0.000 0.987 244 F HN 0.177 nan 8.300 nan 0.000 0.475 245 L N 0.426 121.700 121.223 0.084 0.000 2.042 245 L HA -0.270 4.072 4.340 0.004 0.000 0.210 245 L C 2.619 179.447 176.870 -0.070 0.000 1.076 245 L CA 1.988 56.850 54.840 0.036 0.000 0.749 245 L CB -0.790 41.406 42.059 0.229 0.000 0.893 245 L HN 0.179 nan 8.230 nan 0.000 0.432 246 K N 0.314 120.664 120.400 -0.084 0.000 2.097 246 K HA -0.149 4.173 4.320 0.004 0.000 0.205 246 K C 1.978 178.438 176.600 -0.232 0.000 1.050 246 K CA 1.299 57.506 56.287 -0.133 0.000 0.938 246 K CB -0.029 32.387 32.500 -0.139 0.000 0.718 246 K HN 0.278 nan 8.250 nan 0.000 0.442 247 A N 0.100 122.713 122.820 -0.345 0.000 2.123 247 A HA -0.014 4.309 4.320 0.004 0.000 0.214 247 A C -0.112 177.025 177.584 -0.745 0.000 1.152 247 A CA 0.622 52.359 52.037 -0.501 0.000 0.728 247 A CB -0.187 18.501 19.000 -0.520 0.000 0.814 247 A HN 0.409 nan 8.150 nan 0.000 0.464 248 H N -1.043 117.765 119.070 -0.437 0.000 2.448 248 H HA 0.258 4.816 4.556 0.004 0.000 0.237 248 H C -2.157 173.088 175.328 -0.138 0.000 1.391 248 H CA -1.580 54.255 56.048 -0.355 0.000 1.477 248 H CB 0.747 30.050 29.762 -0.764 0.000 1.520 248 H HN 0.153 nan 8.280 nan 0.000 0.502 249 P HA -0.213 nan 4.420 nan 0.000 0.223 249 P C 1.279 178.606 177.300 0.044 0.000 1.144 249 P CA 1.092 64.195 63.100 0.005 0.000 0.783 249 P CB 0.540 32.221 31.700 -0.030 0.000 0.771 250 E N -0.427 119.810 120.200 0.062 0.000 2.427 250 E HA -0.077 4.275 4.350 0.004 0.000 0.196 250 E C 0.083 176.626 176.600 -0.095 0.000 1.028 250 E CA 0.158 56.541 56.400 -0.028 0.000 0.864 250 E CB -0.528 29.120 29.700 -0.086 0.000 0.813 250 E HN 0.217 nan 8.360 nan 0.000 0.514 251 F N 1.291 121.251 119.950 0.017 0.000 2.397 251 F HA 0.458 4.988 4.527 0.004 0.000 0.331 251 F C 0.816 176.718 175.800 0.171 0.000 1.090 251 F CA -0.777 57.290 58.000 0.111 0.000 1.065 251 F CB 1.406 40.479 39.000 0.121 0.000 1.184 251 F HN -0.206 nan 8.300 nan 0.000 0.499 252 R N 2.775 123.515 120.500 0.400 0.000 2.673 252 R HA 0.547 4.889 4.340 0.004 0.000 0.281 252 R C -1.697 174.798 176.300 0.325 0.000 0.991 252 R CA -0.817 55.466 56.100 0.305 0.000 0.896 252 R CB 1.455 31.848 30.300 0.155 0.000 1.201 252 R HN 0.706 nan 8.270 nan 0.000 0.457 253 L N 3.385 124.729 121.223 0.201 0.000 2.453 253 L HA 0.182 4.524 4.340 0.004 0.000 0.272 253 L C 0.545 177.417 176.870 0.004 0.000 1.182 253 L CA 0.456 55.293 54.840 -0.004 0.000 0.858 253 L CB 0.772 42.783 42.059 -0.080 0.000 1.120 253 L HN 0.625 nan 8.230 nan 0.000 0.474 254 E N 1.174 121.351 120.200 -0.038 0.000 2.446 254 E HA 0.185 4.537 4.350 0.004 0.000 0.251 254 E C -1.018 175.549 176.600 -0.055 0.000 1.087 254 E CA -0.926 55.461 56.400 -0.020 0.000 0.937 254 E CB 0.952 30.654 29.700 0.004 0.000 1.254 254 E HN 0.418 nan 8.360 nan 0.000 0.479 255 D N -0.068 120.311 120.400 -0.034 0.000 2.316 255 D HA 0.218 4.860 4.640 0.004 0.000 0.245 255 D C -0.380 175.897 176.300 -0.039 0.000 1.171 255 D CA -0.045 53.934 54.000 -0.036 0.000 0.856 255 D CB 1.428 42.216 40.800 -0.019 0.000 1.090 255 D HN 0.461 nan 8.370 nan 0.000 0.476 256 A N 4.580 127.368 122.820 -0.054 0.000 2.308 256 A HA 0.062 4.384 4.320 0.004 0.000 0.217 256 A C 1.054 178.685 177.584 0.080 0.000 1.216 256 A CA -0.096 51.922 52.037 -0.032 0.000 0.864 256 A CB 0.094 19.014 19.000 -0.133 0.000 0.902 256 A HN 0.479 nan 8.150 nan 0.000 0.499 257 R N 0.848 121.383 120.500 0.058 0.000 3.710 257 R HA 0.278 4.621 4.340 0.004 0.000 0.201 257 R C 0.354 176.614 176.300 -0.066 0.000 1.641 257 R CA -0.226 55.931 56.100 0.096 0.000 1.390 257 R CB -0.257 30.076 30.300 0.054 0.000 1.341 257 R HN 0.439 nan 8.270 nan 0.000 0.728 258 L N -0.085 121.040 121.223 -0.164 0.000 2.201 258 L HA -0.063 4.279 4.340 0.004 0.000 0.212 258 L C 1.167 177.812 176.870 -0.374 0.000 1.105 258 L CA 1.056 55.746 54.840 -0.249 0.000 0.775 258 L CB -0.233 41.739 42.059 -0.145 0.000 0.913 258 L HN 0.558 nan 8.230 nan 0.000 0.440 259 H N -1.057 117.479 119.070 -0.890 0.000 2.768 259 H HA 0.199 4.757 4.556 0.004 0.000 0.371 259 H C -2.095 173.016 175.328 -0.362 0.000 1.151 259 H CA -1.609 54.082 56.048 -0.595 0.000 1.165 259 H CB 2.695 32.066 29.762 -0.653 0.000 1.722 259 H HN -0.286 nan 8.280 nan 0.000 0.543 260 P HA -0.075 nan 4.420 nan 0.000 0.219 260 P C 1.563 178.921 177.300 0.096 0.000 1.146 260 P CA 0.920 63.920 63.100 -0.167 0.000 0.808 260 P CB 0.286 31.847 31.700 -0.230 0.000 0.779 261 L N -2.898 118.556 121.223 0.386 0.000 2.376 261 L HA -0.044 4.299 4.340 0.004 0.000 0.219 261 L C 0.746 177.871 176.870 0.426 0.000 1.133 261 L CA 0.198 55.289 54.840 0.419 0.000 0.816 261 L CB -0.650 41.723 42.059 0.524 0.000 0.933 261 L HN -0.088 nan 8.230 nan 0.000 0.449 262 F N 1.065 121.065 119.950 0.085 0.000 2.495 262 F HA 0.324 4.853 4.527 0.004 0.000 0.365 262 F C 0.879 176.705 175.800 0.044 0.000 1.090 262 F CA -1.472 56.523 58.000 -0.008 0.000 1.235 262 F CB -0.052 38.909 39.000 -0.064 0.000 1.119 262 F HN -0.156 nan 8.300 nan 0.000 0.562 263 A N 5.967 128.939 122.820 0.253 0.000 2.302 263 A HA 0.670 4.992 4.320 0.004 0.000 0.285 263 A C -2.327 175.359 177.584 0.170 0.000 1.105 263 A CA -1.562 50.610 52.037 0.226 0.000 0.816 263 A CB 0.104 19.318 19.000 0.355 0.000 1.067 263 A HN 0.465 nan 8.150 nan 0.000 0.489 264 P HA 0.241 nan 4.420 nan 0.000 0.274 264 P C 0.464 177.832 177.300 0.113 0.000 1.237 264 P CA 0.158 63.311 63.100 0.089 0.000 0.793 264 P CB 0.635 32.365 31.700 0.051 0.000 0.977 265 G N 0.196 109.067 108.800 0.119 0.000 2.653 265 G HA2 0.379 4.341 3.960 0.004 0.000 0.265 265 G HA3 0.379 4.341 3.960 0.004 0.000 0.265 265 G C -0.762 174.162 174.900 0.040 0.000 1.237 265 G CA -0.467 44.745 45.100 0.187 0.000 0.946 265 G HN 0.368 nan 8.290 nan 0.000 0.522 266 V N 1.681 121.576 119.914 -0.032 0.000 2.349 266 V HA 0.209 4.332 4.120 0.004 0.000 0.284 266 V C -1.530 174.480 176.094 -0.140 0.000 1.014 266 V CA -1.019 61.102 62.300 -0.298 0.000 0.826 266 V CB 1.933 33.125 31.823 -1.052 0.000 1.009 266 V HN 0.516 nan 8.190 nan 0.000 0.431 267 P HA -0.197 nan 4.420 nan 0.000 0.216 267 P C 1.535 178.852 177.300 0.028 0.000 1.150 267 P CA 1.143 64.247 63.100 0.006 0.000 0.843 267 P CB 0.435 32.133 31.700 -0.003 0.000 0.787 268 E N -1.500 118.677 120.200 -0.039 0.000 2.267 268 E HA -0.188 4.165 4.350 0.004 0.000 0.197 268 E C 0.740 177.497 176.600 0.262 0.000 0.998 268 E CA 0.816 57.252 56.400 0.060 0.000 0.830 268 E CB -0.255 29.455 29.700 0.017 0.000 0.751 268 E HN 0.257 nan 8.360 nan 0.000 0.491 269 W N -0.105 121.222 121.300 0.045 0.000 3.290 269 W HA 0.333 4.995 4.660 0.004 0.000 0.287 269 W C 0.823 177.363 176.519 0.035 0.000 1.288 269 W CA 0.378 57.744 57.345 0.035 0.000 1.725 269 W CB 0.313 29.793 29.460 0.033 0.000 1.103 269 W HN 0.040 nan 8.180 nan 0.000 0.670 270 G N 0.200 109.148 108.800 0.246 0.000 4.855 270 G HA2 0.326 4.288 3.960 0.004 0.000 0.275 270 G HA3 0.326 4.288 3.960 0.004 0.000 0.275 270 G C 0.096 175.077 174.900 0.134 0.000 1.282 270 G CA -0.403 44.803 45.100 0.177 0.000 0.930 270 G HN 0.187 nan 8.290 nan 0.000 0.575 271 E N -0.739 119.533 120.200 0.120 0.000 2.971 271 E HA -0.275 4.078 4.350 0.004 0.000 0.278 271 E C 1.465 178.109 176.600 0.074 0.000 1.009 271 E CA 0.789 57.241 56.400 0.088 0.000 0.862 271 E CB -1.415 28.331 29.700 0.077 0.000 1.436 271 E HN 1.646 nan 8.360 nan 0.000 0.434 272 G N 0.637 109.484 108.800 0.078 0.000 2.153 272 G HA2 -0.378 3.584 3.960 0.004 0.000 0.252 272 G HA3 -0.378 3.584 3.960 0.004 0.000 0.252 272 G C -0.019 174.911 174.900 0.050 0.000 0.994 272 G CA 0.243 45.376 45.100 0.055 0.000 0.698 272 G HN 0.339 nan 8.290 nan 0.000 0.521 273 N N 0.889 119.628 118.700 0.066 0.000 2.416 273 N HA 0.328 5.070 4.740 0.004 0.000 0.265 273 N C -0.635 174.910 175.510 0.057 0.000 1.195 273 N CA -1.857 51.232 53.050 0.065 0.000 0.943 273 N CB 1.268 39.808 38.487 0.087 0.000 1.115 273 N HN 0.071 nan 8.380 nan 0.000 0.481 274 P HA -0.069 nan 4.420 nan 0.000 0.222 274 P C 0.734 178.056 177.300 0.037 0.000 1.147 274 P CA 0.845 63.963 63.100 0.031 0.000 0.790 274 P CB 0.403 32.117 31.700 0.023 0.000 0.780 275 E N -0.281 119.949 120.200 0.049 0.000 2.265 275 E HA -0.109 4.243 4.350 0.004 0.000 0.196 275 E C 1.859 178.490 176.600 0.053 0.000 0.996 275 E CA 0.769 57.200 56.400 0.051 0.000 0.832 275 E CB -0.632 29.110 29.700 0.070 0.000 0.756 275 E HN 0.377 nan 8.360 nan 0.000 0.491 276 L N 0.382 121.650 121.223 0.073 0.000 2.450 276 L HA -0.124 4.219 4.340 0.004 0.000 0.224 276 L C 2.259 179.171 176.870 0.071 0.000 1.149 276 L CA 0.281 55.179 54.840 0.097 0.000 0.816 276 L CB -0.349 41.788 42.059 0.131 0.000 0.932 276 L HN 0.103 nan 8.230 nan 0.000 0.449 277 L N -0.405 120.842 121.223 0.040 0.000 2.265 277 L HA -0.207 4.135 4.340 0.004 0.000 0.215 277 L C 2.249 179.132 176.870 0.021 0.000 1.117 277 L CA 1.186 56.042 54.840 0.026 0.000 0.782 277 L CB -0.398 41.669 42.059 0.013 0.000 0.914 277 L HN 0.244 nan 8.230 nan 0.000 0.441 278 K N -0.493 119.912 120.400 0.008 0.000 2.426 278 K HA 0.025 4.347 4.320 0.004 0.000 0.193 278 K C 1.018 177.581 176.600 -0.062 0.000 1.028 278 K CA 0.333 56.608 56.287 -0.020 0.000 1.047 278 K CB 0.022 32.505 32.500 -0.029 0.000 0.821 278 K HN 0.407 nan 8.250 nan 0.000 0.513 279 T N -0.883 113.638 114.554 -0.054 0.000 2.766 279 T HA 0.465 4.818 4.350 0.004 0.000 0.295 279 T C 0.040 174.662 174.700 -0.131 0.000 1.024 279 T CA -0.934 61.068 62.100 -0.162 0.000 1.018 279 T CB 1.559 70.376 68.868 -0.085 0.000 1.002 279 T HN 0.062 nan 8.240 nan 0.000 0.532 280 A N 1.165 123.804 122.820 -0.301 0.000 2.393 280 A HA 0.726 5.048 4.320 0.004 0.000 0.306 280 A C -0.271 177.164 177.584 -0.249 0.000 1.050 280 A CA -1.092 50.840 52.037 -0.175 0.000 0.724 280 A CB 1.216 20.157 19.000 -0.098 0.000 1.248 280 A HN 0.826 nan 8.150 nan 0.000 0.424 281 R N 1.265 121.693 120.500 -0.120 0.000 2.437 281 R HA 0.535 4.878 4.340 0.004 0.000 0.310 281 R C -1.639 174.443 176.300 -0.363 0.000 0.955 281 R CA -0.694 55.268 56.100 -0.230 0.000 0.851 281 R CB 1.561 31.751 30.300 -0.184 0.000 1.161 281 R HN 0.523 nan 8.270 nan 0.000 0.446 282 L N 3.717 124.654 121.223 -0.476 0.000 2.262 282 L HA 0.380 4.722 4.340 0.004 0.000 0.288 282 L C -0.963 175.820 176.870 -0.146 0.000 1.035 282 L CA -0.027 54.569 54.840 -0.406 0.000 0.820 282 L CB 0.517 42.203 42.059 -0.621 0.000 1.204 282 L HN 0.477 nan 8.230 nan 0.000 0.424 283 W N 5.312 126.642 121.300 0.050 0.000 2.520 283 W HA 0.445 5.107 4.660 0.004 0.000 0.323 283 W C -1.281 175.328 176.519 0.150 0.000 1.062 283 W CA -1.364 56.084 57.345 0.170 0.000 1.215 283 W CB 1.426 30.871 29.460 -0.025 0.000 1.340 283 W HN 0.376 nan 8.180 nan 0.000 0.516 284 P HA -0.214 nan 4.420 nan 0.000 0.226 284 P C 0.976 178.459 177.300 0.304 0.000 1.153 284 P CA 1.642 64.956 63.100 0.357 0.000 0.777 284 P CB 0.068 31.956 31.700 0.313 0.000 0.794 285 H N -1.368 117.844 119.070 0.237 0.000 2.539 285 H HA 0.269 4.828 4.556 0.004 0.000 0.269 285 H C 1.281 176.687 175.328 0.131 0.000 0.980 285 H CA 0.091 56.215 56.048 0.128 0.000 1.152 285 H CB -0.110 29.698 29.762 0.077 0.000 1.407 285 H HN 0.058 nan 8.280 nan 0.000 0.564 286 R N 0.476 120.899 120.500 -0.127 0.000 2.394 286 R HA 0.238 4.580 4.340 0.004 0.000 0.220 286 R C -0.064 176.296 176.300 0.099 0.000 0.887 286 R CA 0.067 56.128 56.100 -0.065 0.000 1.034 286 R CB 0.857 31.089 30.300 -0.113 0.000 1.179 286 R HN 0.253 nan 8.270 nan 0.000 0.561 287 L N -2.826 118.488 121.223 0.153 0.000 2.630 287 L HA 0.495 4.837 4.340 0.004 0.000 0.258 287 L C -0.488 176.529 176.870 0.245 0.000 1.072 287 L CA -1.147 53.835 54.840 0.238 0.000 0.885 287 L CB 1.222 43.458 42.059 0.295 0.000 1.502 287 L HN -0.217 nan 8.230 nan 0.000 0.406 288 E N -0.119 120.262 120.200 0.301 0.000 1.893 288 E HA 0.596 4.949 4.350 0.004 0.000 0.269 288 E C -0.408 176.447 176.600 0.424 0.000 1.129 288 E CA 0.147 56.669 56.400 0.203 0.000 0.904 288 E CB -0.088 29.535 29.700 -0.127 0.000 1.077 288 E HN 1.011 nan 8.360 nan 0.000 0.407 289 G N 2.854 111.839 108.800 0.308 0.000 2.377 289 G HA2 -0.014 3.949 3.960 0.004 0.000 0.297 289 G HA3 -0.014 3.949 3.960 0.004 0.000 0.297 289 G C -0.017 175.001 174.900 0.197 0.000 1.547 289 G CA -0.597 44.685 45.100 0.304 0.000 0.833 289 G HN 0.303 nan 8.290 nan 0.000 0.583 290 E N -0.353 119.936 120.200 0.149 0.000 2.112 290 E HA 0.281 4.633 4.350 0.004 0.000 0.190 290 E C 1.260 177.994 176.600 0.224 0.000 0.979 290 E CA 1.489 57.974 56.400 0.140 0.000 0.814 290 E CB 0.355 30.088 29.700 0.054 0.000 0.762 290 E HN 1.748 nan 8.360 nan 0.000 0.460 291 G N 0.417 109.307 108.800 0.150 0.000 2.380 291 G HA2 0.181 4.143 3.960 0.004 0.000 0.250 291 G HA3 0.181 4.143 3.960 0.004 0.000 0.250 291 G C -1.589 173.243 174.900 -0.112 0.000 1.578 291 G CA -0.835 44.318 45.100 0.088 0.000 0.974 291 G HN 0.140 nan 8.290 nan 0.000 0.680 292 H N -0.082 118.810 119.070 -0.296 0.000 3.012 292 H HA 0.737 5.295 4.556 0.004 0.000 0.367 292 H C -1.463 173.697 175.328 -0.281 0.000 1.211 292 H CA -0.545 55.311 56.048 -0.320 0.000 1.139 292 H CB 2.035 31.598 29.762 -0.332 0.000 1.838 292 H HN 0.688 nan 8.280 nan 0.000 0.550 293 F N 3.308 123.050 119.950 -0.347 0.000 2.507 293 F HA 0.642 5.171 4.527 0.004 0.000 0.325 293 F C -1.849 173.824 175.800 -0.211 0.000 1.116 293 F CA -0.629 57.208 58.000 -0.271 0.000 0.930 293 F CB 0.796 39.657 39.000 -0.231 0.000 1.146 293 F HN 0.315 nan 8.300 nan 0.000 0.447 294 L N 5.799 126.427 121.223 -0.991 0.000 2.386 294 L HA 0.897 5.239 4.340 0.004 0.000 0.271 294 L C -0.913 175.448 176.870 -0.849 0.000 0.993 294 L CA -1.093 53.327 54.840 -0.699 0.000 0.819 294 L CB 1.900 43.708 42.059 -0.419 0.000 1.294 294 L HN 0.779 nan 8.230 nan 0.000 0.414 295 A N 2.920 125.453 122.820 -0.478 0.000 2.398 295 A HA 0.784 5.106 4.320 0.004 0.000 0.301 295 A C -1.106 176.274 177.584 -0.341 0.000 1.041 295 A CA -0.610 51.176 52.037 -0.419 0.000 0.711 295 A CB 1.867 20.714 19.000 -0.254 0.000 1.240 295 A HN 0.780 nan 8.150 nan 0.000 0.420 296 R N 2.120 122.371 120.500 -0.416 0.000 2.494 296 R HA 0.756 5.098 4.340 0.004 0.000 0.305 296 R C -1.819 174.284 176.300 -0.329 0.000 0.959 296 R CA -0.362 55.603 56.100 -0.226 0.000 0.864 296 R CB 0.850 31.093 30.300 -0.095 0.000 1.159 296 R HN 0.572 nan 8.270 nan 0.000 0.446 297 F N 1.819 121.840 119.950 0.120 0.000 2.579 297 F HA 0.549 5.078 4.527 0.004 0.000 0.324 297 F C 0.048 175.974 175.800 0.210 0.000 1.058 297 F CA -1.147 56.986 58.000 0.222 0.000 0.944 297 F CB 1.749 40.993 39.000 0.407 0.000 1.245 297 F HN 0.351 nan 8.300 nan 0.000 0.477 298 R N 1.832 122.556 120.500 0.373 0.000 2.494 298 R HA 0.383 4.726 4.340 0.004 0.000 0.305 298 R C -1.289 175.000 176.300 -0.017 0.000 0.959 298 R CA -0.752 55.448 56.100 0.167 0.000 0.864 298 R CB 1.454 31.807 30.300 0.088 0.000 1.159 298 R HN 0.652 nan 8.270 nan 0.000 0.446 299 K N 2.728 122.968 120.400 -0.266 0.000 2.248 299 K HA 0.119 4.441 4.320 0.004 0.000 0.281 299 K C -0.994 175.383 176.600 -0.372 0.000 1.054 299 K CA -0.252 55.600 56.287 -0.724 0.000 0.903 299 K CB 0.897 32.881 32.500 -0.860 0.000 1.077 299 K HN 0.707 nan 8.250 nan 0.000 0.474 300 E N 3.917 123.926 120.200 -0.319 0.000 2.092 300 E HA 0.380 4.733 4.350 0.004 0.000 0.271 300 E C -0.422 176.075 176.600 -0.172 0.000 0.919 300 E CA -0.341 55.953 56.400 -0.176 0.000 0.760 300 E CB 0.818 30.459 29.700 -0.097 0.000 1.106 300 E HN 0.907 nan 8.360 nan 0.000 0.408 301 G N 2.520 111.227 108.800 -0.156 0.000 2.566 301 G HA2 0.289 4.251 3.960 0.004 0.000 0.599 301 G HA3 0.289 4.251 3.960 0.004 0.000 0.599 301 G C 0.259 175.056 174.900 -0.171 0.000 1.292 301 G CA -0.573 44.450 45.100 -0.130 0.000 0.922 301 G HN 1.367 nan 8.290 nan 0.000 0.514 302 G N -1.742 106.982 108.800 -0.127 0.000 2.610 302 G HA2 0.541 4.503 3.960 0.004 0.000 0.304 302 G HA3 0.541 4.503 3.960 0.004 0.000 0.304 302 G C 0.101 174.914 174.900 -0.146 0.000 1.309 302 G CA 0.915 45.936 45.100 -0.131 0.000 0.906 302 G HN 2.858 nan 8.290 nan 0.000 0.521 303 A N -1.224 121.510 122.820 -0.143 0.000 2.469 303 A HA 0.802 5.125 4.320 0.004 0.000 0.299 303 A C -0.826 176.670 177.584 -0.148 0.000 1.098 303 A CA -0.401 51.579 52.037 -0.095 0.000 0.737 303 A CB 1.043 20.049 19.000 0.009 0.000 1.312 303 A HN 1.287 nan 8.150 nan 0.000 0.414 304 W N 1.471 122.787 121.300 0.026 0.000 2.261 304 W HA 0.452 5.114 4.660 0.003 0.000 0.323 304 W C 1.034 177.586 176.519 0.055 0.000 1.243 304 W CA 0.442 57.807 57.345 0.034 0.000 1.210 304 W CB 1.327 30.797 29.460 0.016 0.000 1.149 304 W HN 0.819 nan 8.180 nan 0.000 0.562 305 S N 0.434 116.346 115.700 0.354 0.000 2.669 305 S HA 0.574 5.047 4.470 0.004 0.000 0.270 305 S C 0.114 174.854 174.600 0.234 0.000 1.225 305 S CA -0.534 57.810 58.200 0.240 0.000 0.991 305 S CB 1.336 64.658 63.200 0.203 0.000 0.987 305 S HN 0.496 nan 8.310 nan 0.000 0.552 306 T N -1.387 113.238 114.554 0.118 0.000 3.504 306 T HA 0.494 4.847 4.350 0.004 0.000 0.286 306 T C -2.892 171.794 174.700 -0.022 0.000 1.530 306 T CA -1.298 60.840 62.100 0.063 0.000 1.652 306 T CB -0.295 68.608 68.868 0.058 0.000 0.895 306 T HN 0.485 nan 8.240 nan 0.000 0.674 307 P HA 0.296 nan 4.420 nan 0.000 0.269 307 P C 0.126 177.343 177.300 -0.139 0.000 1.215 307 P CA -0.549 62.452 63.100 -0.164 0.000 0.780 307 P CB 0.641 32.117 31.700 -0.374 0.000 0.898 308 R N 1.195 121.650 120.500 -0.075 0.000 2.570 308 R HA 0.197 4.540 4.340 0.004 0.000 0.277 308 R C 0.078 176.330 176.300 -0.081 0.000 1.039 308 R CA -0.282 55.786 56.100 -0.054 0.000 1.065 308 R CB -0.050 30.236 30.300 -0.023 0.000 0.964 308 R HN 0.455 nan 8.270 nan 0.000 0.428 309 L N 2.138 123.325 121.223 -0.061 0.000 2.350 309 L HA 0.176 4.518 4.340 0.004 0.000 0.275 309 L C 0.573 177.428 176.870 -0.026 0.000 1.099 309 L CA -0.650 54.157 54.840 -0.056 0.000 0.808 309 L CB 0.884 42.926 42.059 -0.028 0.000 1.149 309 L HN 0.488 nan 8.230 nan 0.000 0.442 310 E N 3.284 123.471 120.200 -0.022 0.000 2.417 310 E HA 0.034 4.386 4.350 0.004 0.000 0.261 310 E C -0.912 175.694 176.600 0.010 0.000 1.000 310 E CA 0.293 56.694 56.400 0.001 0.000 0.919 310 E CB 0.374 30.078 29.700 0.006 0.000 0.955 310 E HN 0.226 nan 8.360 nan 0.000 0.455 311 R N 5.376 125.885 120.500 0.015 0.000 2.467 311 R HA 0.323 4.666 4.340 0.004 0.000 0.299 311 R C -2.358 173.957 176.300 0.025 0.000 1.120 311 R CA -1.875 54.237 56.100 0.020 0.000 0.940 311 R CB 0.792 31.101 30.300 0.015 0.000 1.161 311 R HN 0.456 nan 8.270 nan 0.000 0.506 312 P HA 0.064 nan 4.420 nan 0.000 0.271 312 P C 0.152 177.471 177.300 0.032 0.000 1.216 312 P CA -0.225 62.897 63.100 0.037 0.000 0.776 312 P CB 0.777 32.505 31.700 0.047 0.000 0.881 313 S N 2.938 118.657 115.700 0.031 0.000 2.573 313 S HA 0.192 4.665 4.470 0.004 0.000 0.277 313 S C -1.977 172.640 174.600 0.029 0.000 1.346 313 S CA -0.948 57.268 58.200 0.027 0.000 1.034 313 S CB -0.679 62.536 63.200 0.026 0.000 0.879 313 S HN 0.224 nan 8.310 nan 0.000 0.528 314 P HA 0.081 nan 4.420 nan 0.000 0.267 314 P C -0.458 176.858 177.300 0.027 0.000 1.201 314 P CA -0.030 63.087 63.100 0.029 0.000 0.775 314 P CB 0.200 31.916 31.700 0.026 0.000 0.854 315 L N 0.861 122.101 121.223 0.029 0.000 2.467 315 L HA 0.094 4.437 4.340 0.004 0.000 0.270 315 L C 1.286 178.170 176.870 0.024 0.000 1.205 315 L CA -0.279 54.575 54.840 0.022 0.000 0.828 315 L CB 0.039 42.113 42.059 0.025 0.000 1.101 315 L HN 0.525 nan 8.230 nan 0.000 0.479 316 S N 0.931 116.643 115.700 0.020 0.000 2.580 316 S HA -0.069 4.403 4.470 0.004 0.000 0.266 316 S C 0.777 175.391 174.600 0.024 0.000 1.354 316 S CA -0.189 58.023 58.200 0.020 0.000 1.008 316 S CB 0.988 64.198 63.200 0.017 0.000 0.898 316 S HN 0.757 nan 8.310 nan 0.000 0.555 317 Q N 0.547 120.361 119.800 0.022 0.000 2.077 317 Q HA -0.252 4.090 4.340 0.004 0.000 0.206 317 Q C 2.137 178.154 176.000 0.028 0.000 0.989 317 Q CA 2.115 57.932 55.803 0.023 0.000 0.853 317 Q CB -0.301 28.448 28.738 0.019 0.000 0.907 317 Q HN 0.945 nan 8.270 nan 0.000 0.418 318 E N -0.619 119.596 120.200 0.025 0.000 2.038 318 E HA -0.237 4.115 4.350 0.004 0.000 0.195 318 E C 1.841 178.466 176.600 0.042 0.000 1.000 318 E CA 1.142 57.560 56.400 0.030 0.000 0.803 318 E CB -0.215 29.498 29.700 0.022 0.000 0.750 318 E HN 0.485 nan 8.360 nan 0.000 0.448 319 A N 0.934 123.776 122.820 0.037 0.000 1.902 319 A HA -0.161 4.161 4.320 0.004 0.000 0.217 319 A C 2.124 179.749 177.584 0.069 0.000 1.181 319 A CA 1.252 53.316 52.037 0.045 0.000 0.623 319 A CB -0.608 18.402 19.000 0.016 0.000 0.818 319 A HN 0.375 nan 8.150 nan 0.000 0.443 320 L N 0.755 122.017 121.223 0.064 0.000 2.027 320 L HA -0.162 4.180 4.340 0.004 0.000 0.206 320 L C 2.674 179.589 176.870 0.074 0.000 1.074 320 L CA 2.476 57.369 54.840 0.088 0.000 0.745 320 L CB -0.604 41.493 42.059 0.062 0.000 0.898 320 L HN 0.585 nan 8.230 nan 0.000 0.433 321 R N -0.375 120.157 120.500 0.052 0.000 2.081 321 R HA -0.061 4.281 4.340 0.004 0.000 0.235 321 R C 2.119 178.451 176.300 0.053 0.000 1.131 321 R CA 1.379 57.502 56.100 0.038 0.000 0.960 321 R CB -1.251 29.067 30.300 0.031 0.000 0.856 321 R HN 0.307 nan 8.270 nan 0.000 0.436 322 A N 1.227 124.097 122.820 0.082 0.000 1.865 322 A HA -0.173 4.149 4.320 0.004 0.000 0.217 322 A C 2.076 179.743 177.584 0.138 0.000 1.191 322 A CA 1.383 53.497 52.037 0.128 0.000 0.623 322 A CB -0.776 18.318 19.000 0.157 0.000 0.826 322 A HN 0.450 nan 8.150 nan 0.000 0.444 323 F N 0.533 120.394 119.950 -0.150 0.000 2.113 323 F HA -0.089 4.441 4.527 0.005 0.000 0.297 323 F C 2.402 178.094 175.800 -0.179 0.000 1.103 323 F CA 1.687 59.431 58.000 -0.426 0.000 1.248 323 F CB -0.488 38.225 39.000 -0.479 0.000 0.999 323 F HN 0.110 nan 8.300 nan 0.000 0.475 324 R N -0.232 120.156 120.500 -0.187 0.000 2.127 324 R HA -0.123 4.219 4.340 0.004 0.000 0.238 324 R C 2.506 178.702 176.300 -0.172 0.000 1.134 324 R CA 1.095 57.050 56.100 -0.243 0.000 0.975 324 R CB -1.125 29.111 30.300 -0.106 0.000 0.865 324 R HN 0.488 nan 8.270 nan 0.000 0.447 325 G N 0.490 109.252 108.800 -0.064 0.000 2.418 325 G HA2 -0.302 3.660 3.960 0.004 0.000 0.217 325 G HA3 -0.302 3.660 3.960 0.004 0.000 0.217 325 G C 1.201 176.096 174.900 -0.008 0.000 1.158 325 G CA 0.440 45.529 45.100 -0.018 0.000 0.771 325 G HN 0.325 nan 8.290 nan 0.000 0.545 326 F N 1.383 121.268 119.950 -0.107 0.000 2.102 326 F HA 0.020 4.550 4.527 0.005 0.000 0.298 326 F C 2.397 178.113 175.800 -0.139 0.000 1.105 326 F CA 1.202 59.164 58.000 -0.063 0.000 1.239 326 F CB -0.329 38.710 39.000 0.065 0.000 0.991 326 F HN 0.045 nan 8.300 nan 0.000 0.474 327 L N 0.256 121.197 121.223 -0.470 0.000 2.079 327 L HA -0.232 4.110 4.340 0.004 0.000 0.210 327 L C 2.581 179.219 176.870 -0.388 0.000 1.081 327 L CA 2.037 56.553 54.840 -0.540 0.000 0.752 327 L CB -0.885 40.879 42.059 -0.491 0.000 0.896 327 L HN 0.331 nan 8.230 nan 0.000 0.433 328 E N 0.386 120.423 120.200 -0.272 0.000 2.047 328 E HA -0.277 4.076 4.350 0.004 0.000 0.191 328 E C 2.118 178.612 176.600 -0.177 0.000 0.987 328 E CA 1.235 57.526 56.400 -0.183 0.000 0.799 328 E CB 0.025 29.653 29.700 -0.121 0.000 0.752 328 E HN 0.449 nan 8.360 nan 0.000 0.449 329 E N -0.172 119.918 120.200 -0.184 0.000 2.110 329 E HA -0.186 4.166 4.350 0.004 0.000 0.193 329 E C 1.710 178.193 176.600 -0.195 0.000 0.988 329 E CA 1.059 57.374 56.400 -0.142 0.000 0.804 329 E CB -0.094 29.559 29.700 -0.079 0.000 0.745 329 E HN 0.318 nan 8.360 nan 0.000 0.458 330 A N 0.168 122.765 122.820 -0.372 0.000 2.123 330 A HA 0.218 4.540 4.320 0.004 0.000 0.214 330 A C 1.653 179.086 177.584 -0.251 0.000 1.152 330 A CA 0.907 52.727 52.037 -0.361 0.000 0.728 330 A CB -0.311 18.274 19.000 -0.692 0.000 0.814 330 A HN 0.453 nan 8.150 nan 0.000 0.464 331 G N -0.866 107.797 108.800 -0.229 0.000 2.272 331 G HA2 -0.192 3.770 3.960 0.004 0.000 0.280 331 G HA3 -0.192 3.770 3.960 0.004 0.000 0.280 331 G C -0.159 174.647 174.900 -0.156 0.000 1.067 331 G CA 0.411 45.415 45.100 -0.161 0.000 0.902 331 G HN 0.472 nan 8.290 nan 0.000 0.500 332 L N 0.335 121.443 121.223 -0.192 0.000 2.322 332 L HA 0.630 4.972 4.340 0.004 0.000 0.281 332 L C 0.102 176.917 176.870 -0.092 0.000 1.014 332 L CA -0.587 54.178 54.840 -0.126 0.000 0.815 332 L CB 2.110 44.103 42.059 -0.109 0.000 1.247 332 L HN 0.156 nan 8.230 nan 0.000 0.421 333 T N 4.889 119.424 114.554 -0.033 0.000 2.786 333 T HA 0.525 4.878 4.350 0.004 0.000 0.283 333 T C -0.290 174.432 174.700 0.038 0.000 0.992 333 T CA -0.365 61.726 62.100 -0.015 0.000 0.954 333 T CB 0.966 69.826 68.868 -0.012 0.000 0.934 333 T HN 0.279 nan 8.240 nan 0.000 0.440 334 L N 3.364 124.619 121.223 0.054 0.000 2.317 334 L HA 0.548 4.890 4.340 0.004 0.000 0.281 334 L C -0.172 176.753 176.870 0.092 0.000 1.024 334 L CA -1.076 53.828 54.840 0.106 0.000 0.810 334 L CB 1.481 43.644 42.059 0.174 0.000 1.240 334 L HN 0.576 nan 8.230 nan 0.000 0.427 335 E N 1.997 122.251 120.200 0.091 0.000 2.109 335 E HA 0.727 5.080 4.350 0.004 0.000 0.278 335 E C -0.001 176.649 176.600 0.083 0.000 0.954 335 E CA -0.482 55.963 56.400 0.075 0.000 0.779 335 E CB 1.684 31.421 29.700 0.061 0.000 1.093 335 E HN 0.750 nan 8.360 nan 0.000 0.401 336 G N 2.734 111.582 108.800 0.080 0.000 2.326 336 G HA2 0.137 4.100 3.960 0.004 0.000 0.413 336 G HA3 0.137 4.100 3.960 0.004 0.000 0.413 336 G C -2.931 172.020 174.900 0.085 0.000 1.444 336 G CA -1.280 43.868 45.100 0.079 0.000 1.002 336 G HN 0.363 nan 8.290 nan 0.000 0.649 337 P HA 0.477 nan 4.420 nan 0.000 0.271 337 P C -0.365 176.984 177.300 0.082 0.000 1.216 337 P CA -0.375 62.767 63.100 0.070 0.000 0.771 337 P CB 1.381 33.116 31.700 0.058 0.000 0.864 338 V N 4.473 124.429 119.914 0.071 0.000 2.384 338 V HA 0.259 4.382 4.120 0.004 0.000 0.287 338 V C -0.058 176.061 176.094 0.043 0.000 1.020 338 V CA -0.704 61.623 62.300 0.045 0.000 0.850 338 V CB 1.419 33.235 31.823 -0.011 0.000 0.987 338 V HN 0.389 nan 8.190 nan 0.000 0.436 339 L N 4.549 125.827 121.223 0.091 0.000 2.289 339 L HA 0.629 4.971 4.340 0.004 0.000 0.285 339 L C -0.342 176.609 176.870 0.135 0.000 1.049 339 L CA 0.228 55.140 54.840 0.119 0.000 0.804 339 L CB 1.401 43.556 42.059 0.159 0.000 1.195 339 L HN 0.665 nan 8.230 nan 0.000 0.428 340 D N 4.815 125.268 120.400 0.089 0.000 2.427 340 D HA 0.258 4.900 4.640 0.004 0.000 0.226 340 D C -0.717 175.659 176.300 0.126 0.000 1.076 340 D CA -0.221 53.829 54.000 0.084 0.000 0.849 340 D CB 0.612 41.424 40.800 0.019 0.000 1.052 340 D HN 0.552 nan 8.370 nan 0.000 0.515 341 R N 3.143 123.772 120.500 0.215 0.000 2.287 341 R HA 0.504 4.847 4.340 0.004 0.000 0.316 341 R C 0.048 176.460 176.300 0.188 0.000 1.050 341 R CA -0.248 55.972 56.100 0.199 0.000 0.983 341 R CB 0.359 30.805 30.300 0.243 0.000 1.140 341 R HN 0.478 nan 8.270 nan 0.000 0.528 342 A N 2.869 125.748 122.820 0.099 0.000 2.822 342 A HA -0.201 4.122 4.320 0.004 0.000 0.287 342 A C 1.072 178.640 177.584 -0.026 0.000 1.479 342 A CA 1.220 53.291 52.037 0.056 0.000 0.779 342 A CB -2.027 17.026 19.000 0.088 0.000 1.022 342 A HN 1.406 nan 8.150 nan 0.000 0.532 343 G N -2.466 106.307 108.800 -0.044 0.000 2.213 343 G HA2 -0.232 3.730 3.960 0.004 0.000 0.236 343 G HA3 -0.232 3.730 3.960 0.004 0.000 0.236 343 G C -0.033 174.729 174.900 -0.230 0.000 0.991 343 G CA 0.505 45.512 45.100 -0.155 0.000 0.629 343 G HN 1.531 nan 8.290 nan 0.000 0.517 344 H N 0.585 119.673 119.070 0.030 0.000 2.562 344 H HA 0.538 5.096 4.556 0.003 0.000 0.314 344 H C 0.444 175.754 175.328 -0.030 0.000 1.079 344 H CA -0.057 56.022 56.048 0.052 0.000 1.349 344 H CB 0.988 30.809 29.762 0.099 0.000 1.432 344 H HN 0.199 nan 8.280 nan 0.000 0.479 345 L N 4.467 125.643 121.223 -0.078 0.000 2.309 345 L HA 0.362 4.704 4.340 0.004 0.000 0.282 345 L C -0.764 175.885 176.870 -0.368 0.000 1.036 345 L CA -0.712 54.015 54.840 -0.189 0.000 0.806 345 L CB 0.766 42.627 42.059 -0.330 0.000 1.220 345 L HN 0.495 nan 8.230 nan 0.000 0.429 346 Y N 2.271 122.618 120.300 0.079 0.000 2.477 346 Y HA 0.409 4.960 4.550 0.003 0.000 0.347 346 Y C -0.392 175.543 175.900 0.058 0.000 0.981 346 Y CA -0.798 57.371 58.100 0.115 0.000 1.033 346 Y CB 2.254 40.792 38.460 0.130 0.000 1.245 346 Y HN 0.334 nan 8.280 nan 0.000 0.455 347 L N 4.624 125.978 121.223 0.220 0.000 2.261 347 L HA 0.447 4.789 4.340 0.004 0.000 0.289 347 L C -1.019 175.949 176.870 0.163 0.000 1.059 347 L CA -0.096 54.842 54.840 0.163 0.000 0.816 347 L CB -0.012 42.136 42.059 0.149 0.000 1.191 347 L HN 0.527 nan 8.230 nan 0.000 0.431 348 L N 7.185 128.486 121.223 0.131 0.000 2.349 348 L HA 0.412 4.754 4.340 0.004 0.000 0.275 348 L C -1.859 175.061 176.870 0.084 0.000 1.115 348 L CA -1.930 52.971 54.840 0.102 0.000 0.820 348 L CB 0.399 42.504 42.059 0.078 0.000 1.135 348 L HN 0.481 nan 8.230 nan 0.000 0.445 349 P HA 0.018 nan 4.420 nan 0.000 0.269 349 P C -0.488 176.844 177.300 0.052 0.000 1.209 349 P CA -0.400 62.741 63.100 0.068 0.000 0.776 349 P CB 0.482 32.224 31.700 0.070 0.000 0.876 350 E N 1.392 121.619 120.200 0.046 0.000 2.465 350 E HA 0.192 4.544 4.350 0.004 0.000 0.260 350 E C 0.949 177.564 176.600 0.025 0.000 0.980 350 E CA 0.752 57.172 56.400 0.032 0.000 0.927 350 E CB -0.563 29.152 29.700 0.025 0.000 0.934 350 E HN 0.767 nan 8.360 nan 0.000 0.459 351 G N 3.613 112.428 108.800 0.024 0.000 2.159 351 G HA2 -0.292 3.670 3.960 0.004 0.000 0.256 351 G HA3 -0.292 3.670 3.960 0.004 0.000 0.256 351 G C 0.032 174.966 174.900 0.057 0.000 0.977 351 G CA 0.139 45.263 45.100 0.039 0.000 0.652 351 G HN 0.557 nan 8.290 nan 0.000 0.531 352 L N 2.571 123.805 121.223 0.018 0.000 2.534 352 L HA 0.465 4.807 4.340 0.004 0.000 0.271 352 L C -1.453 175.361 176.870 -0.092 0.000 1.178 352 L CA -1.261 53.565 54.840 -0.023 0.000 0.907 352 L CB 0.246 42.304 42.059 -0.002 0.000 1.164 352 L HN 0.017 nan 8.230 nan 0.000 0.482 353 P HA 0.084 nan 4.420 nan 0.000 0.274 353 P C -0.656 176.585 177.300 -0.099 0.000 1.231 353 P CA -0.493 62.407 63.100 -0.333 0.000 0.790 353 P CB 0.441 31.682 31.700 -0.765 0.000 0.951 354 T N 1.550 116.092 114.554 -0.019 0.000 2.934 354 T HA 0.050 4.402 4.350 0.004 0.000 0.306 354 T C 0.924 175.717 174.700 0.154 0.000 1.042 354 T CA 0.176 62.306 62.100 0.049 0.000 1.145 354 T CB -0.569 68.320 68.868 0.035 0.000 0.982 354 T HN 0.216 nan 8.240 nan 0.000 0.544 355 L N 4.663 125.956 121.223 0.118 0.000 2.700 355 L HA 0.347 4.689 4.340 0.004 0.000 0.234 355 L C 0.777 177.690 176.870 0.071 0.000 1.156 355 L CA -0.526 54.401 54.840 0.145 0.000 0.946 355 L CB -0.092 42.030 42.059 0.105 0.000 1.216 355 L HN 0.542 nan 8.230 nan 0.000 0.493 356 L N 1.430 122.684 121.223 0.052 0.000 2.615 356 L HA 0.139 4.481 4.340 0.004 0.000 0.284 356 L C 1.313 178.185 176.870 0.004 0.000 1.237 356 L CA 1.570 56.423 54.840 0.023 0.000 0.905 356 L CB 0.353 42.423 42.059 0.018 0.000 1.149 356 L HN 0.386 nan 8.230 nan 0.000 0.499 357 G N 3.531 112.328 108.800 -0.005 0.000 2.179 357 G HA2 -0.252 3.710 3.960 0.004 0.000 0.260 357 G HA3 -0.252 3.710 3.960 0.004 0.000 0.260 357 G C 0.022 174.903 174.900 -0.031 0.000 0.977 357 G CA 0.325 45.412 45.100 -0.021 0.000 0.641 357 G HN 0.613 nan 8.290 nan 0.000 0.533 358 L N 0.110 121.320 121.223 -0.021 0.000 2.334 358 L HA 0.536 4.878 4.340 0.004 0.000 0.276 358 L C 0.583 177.445 176.870 -0.013 0.000 1.014 358 L CA -1.054 53.771 54.840 -0.026 0.000 0.815 358 L CB 1.874 43.925 42.059 -0.014 0.000 1.268 358 L HN 0.108 nan 8.230 nan 0.000 0.428 359 K N 2.385 122.773 120.400 -0.020 0.000 2.383 359 K HA 0.461 4.783 4.320 0.004 0.000 0.286 359 K C -0.451 176.136 176.600 -0.022 0.000 1.051 359 K CA -0.087 56.187 56.287 -0.022 0.000 0.974 359 K CB 0.720 33.205 32.500 -0.026 0.000 0.968 359 K HN 0.704 nan 8.250 nan 0.000 0.475 360 A N 6.683 129.481 122.820 -0.036 0.000 2.763 360 A HA 0.334 4.657 4.320 0.004 0.000 0.325 360 A C -2.117 175.405 177.584 -0.103 0.000 1.209 360 A CA -1.403 50.602 52.037 -0.054 0.000 0.764 360 A CB 0.800 19.769 19.000 -0.051 0.000 1.120 360 A HN 0.661 nan 8.150 nan 0.000 0.463 361 P HA -0.121 nan 4.420 nan 0.000 0.217 361 P C 0.529 177.727 177.300 -0.170 0.000 1.151 361 P CA 2.236 65.263 63.100 -0.122 0.000 0.849 361 P CB 0.342 31.982 31.700 -0.099 0.000 0.787 362 A N -2.078 120.636 122.820 -0.176 0.000 2.679 362 A HA 0.469 4.791 4.320 0.004 0.000 0.288 362 A C -2.302 175.127 177.584 -0.259 0.000 1.160 362 A CA -0.998 50.895 52.037 -0.240 0.000 0.763 362 A CB 0.861 19.843 19.000 -0.030 0.000 1.270 362 A HN -0.122 nan 8.150 nan 0.000 0.417 363 P HA 0.074 nan 4.420 nan 0.000 0.222 363 P C 0.980 178.231 177.300 -0.082 0.000 1.147 363 P CA 1.896 64.839 63.100 -0.261 0.000 0.790 363 P CB 0.465 31.964 31.700 -0.336 0.000 0.780 364 G N -1.898 106.905 108.800 0.005 0.000 2.570 364 G HA2 0.373 4.336 3.960 0.004 0.000 0.310 364 G HA3 0.373 4.336 3.960 0.004 0.000 0.310 364 G C -1.839 173.242 174.900 0.301 0.000 1.266 364 G CA -0.653 44.547 45.100 0.166 0.000 0.825 364 G HN 0.098 nan 8.290 nan 0.000 0.483 365 L N 1.067 122.444 121.223 0.257 0.000 2.534 365 L HA 0.432 4.774 4.340 0.004 0.000 0.271 365 L C -0.294 176.772 176.870 0.326 0.000 1.178 365 L CA -0.687 54.300 54.840 0.245 0.000 0.907 365 L CB -0.042 42.110 42.059 0.156 0.000 1.164 365 L HN 0.503 nan 8.230 nan 0.000 0.482 366 Y N 5.692 126.085 120.300 0.154 0.000 2.496 366 Y HA 0.181 4.734 4.550 0.005 0.000 0.334 366 Y C 0.536 176.409 175.900 -0.045 0.000 1.080 366 Y CA -0.277 57.808 58.100 -0.025 0.000 1.355 366 Y CB 0.637 39.103 38.460 0.010 0.000 1.193 366 Y HN 0.745 nan 8.280 nan 0.000 0.523 367 L N 4.831 125.836 121.223 -0.363 0.000 2.357 367 L HA 0.372 4.715 4.340 0.004 0.000 0.211 367 L C 1.223 177.856 176.870 -0.395 0.000 1.075 367 L CA 0.679 55.395 54.840 -0.208 0.000 0.830 367 L CB -0.271 41.765 42.059 -0.038 0.000 0.996 367 L HN 0.889 nan 8.230 nan 0.000 0.467 368 G N 0.088 108.316 108.800 -0.953 0.000 2.340 368 G HA2 0.017 3.979 3.960 0.004 0.000 0.282 368 G HA3 0.017 3.979 3.960 0.004 0.000 0.282 368 G C -1.783 172.758 174.900 -0.597 0.000 1.312 368 G CA -0.760 43.712 45.100 -1.047 0.000 0.942 368 G HN -0.079 nan 8.290 nan 0.000 0.495 369 K N -0.269 119.739 120.400 -0.653 0.000 2.345 369 K HA 0.677 4.999 4.320 0.004 0.000 0.255 369 K C -0.623 175.798 176.600 -0.299 0.000 0.934 369 K CA -0.737 55.341 56.287 -0.349 0.000 0.801 369 K CB 2.157 34.488 32.500 -0.282 0.000 1.137 369 K HN 0.463 nan 8.250 nan 0.000 0.424 370 V N 4.511 124.371 119.914 -0.090 0.000 2.432 370 V HA 0.207 4.330 4.120 0.004 0.000 0.271 370 V C -0.309 175.735 176.094 -0.085 0.000 1.046 370 V CA -0.180 62.127 62.300 0.012 0.000 0.945 370 V CB 0.977 32.836 31.823 0.059 0.000 0.992 370 V HN 0.789 nan 8.190 nan 0.000 0.471 371 Q N 4.349 124.110 119.800 -0.066 0.000 2.269 371 Q HA 0.348 4.690 4.340 0.004 0.000 0.263 371 Q C -0.542 175.437 176.000 -0.035 0.000 0.983 371 Q CA -0.773 54.986 55.803 -0.073 0.000 0.777 371 Q CB 1.075 29.752 28.738 -0.101 0.000 1.273 371 Q HN 0.715 nan 8.270 nan 0.000 0.440 372 K N 2.756 123.140 120.400 -0.025 0.000 3.278 372 K HA -0.279 4.043 4.320 0.004 0.000 0.270 372 K C 0.539 177.141 176.600 0.004 0.000 0.955 372 K CA 0.747 57.028 56.287 -0.010 0.000 0.723 372 K CB -1.746 30.747 32.500 -0.012 0.000 1.382 372 K HN 1.168 nan 8.250 nan 0.000 0.461 373 G N -0.266 108.543 108.800 0.015 0.000 2.196 373 G HA2 -0.347 3.615 3.960 0.004 0.000 0.268 373 G HA3 -0.347 3.615 3.960 0.004 0.000 0.268 373 G C -0.025 174.906 174.900 0.051 0.000 0.975 373 G CA 0.699 45.818 45.100 0.033 0.000 0.648 373 G HN 0.303 nan 8.290 nan 0.000 0.538 374 R N -0.815 119.711 120.500 0.043 0.000 2.664 374 R HA 0.641 4.983 4.340 0.004 0.000 0.286 374 R C -0.933 175.420 176.300 0.090 0.000 0.967 374 R CA -1.170 54.966 56.100 0.059 0.000 0.933 374 R CB 1.173 31.480 30.300 0.013 0.000 1.146 374 R HN 0.167 nan 8.270 nan 0.000 0.468 375 F N 2.736 122.662 119.950 -0.040 0.000 2.404 375 F HA 0.339 4.869 4.527 0.005 0.000 0.354 375 F C -0.845 174.832 175.800 -0.206 0.000 1.122 375 F CA -1.082 56.856 58.000 -0.102 0.000 1.080 375 F CB 0.709 39.692 39.000 -0.028 0.000 1.131 375 F HN 0.208 nan 8.300 nan 0.000 0.471 376 L N 9.148 129.825 121.223 -0.910 0.000 2.272 376 L HA 0.438 4.781 4.340 0.004 0.000 0.284 376 L C -2.147 173.957 176.870 -1.278 0.000 1.045 376 L CA -2.211 52.141 54.840 -0.814 0.000 0.842 376 L CB 0.486 42.264 42.059 -0.469 0.000 1.224 376 L HN 0.421 nan 8.230 nan 0.000 0.430 377 P HA 0.201 nan 4.420 nan 0.000 0.272 377 P C -0.668 176.235 177.300 -0.661 0.000 1.223 377 P CA -0.435 61.939 63.100 -1.210 0.000 0.784 377 P CB 1.098 31.856 31.700 -1.569 0.000 0.923 378 A N 2.426 124.983 122.820 -0.437 0.000 2.302 378 A HA 0.258 4.580 4.320 0.004 0.000 0.285 378 A C 1.687 179.328 177.584 0.094 0.000 1.105 378 A CA -0.596 51.285 52.037 -0.260 0.000 0.816 378 A CB 0.118 18.771 19.000 -0.577 0.000 1.067 378 A HN 0.608 nan 8.150 nan 0.000 0.489 379 R N 1.299 121.863 120.500 0.107 0.000 2.105 379 R HA -0.178 4.164 4.340 0.004 0.000 0.239 379 R C 2.018 178.339 176.300 0.034 0.000 1.135 379 R CA 1.878 58.041 56.100 0.106 0.000 0.967 379 R CB -0.356 29.993 30.300 0.082 0.000 0.861 379 R HN 0.842 nan 8.270 nan 0.000 0.442 380 A N 1.003 123.857 122.820 0.057 0.000 1.940 380 A HA -0.184 4.138 4.320 0.004 0.000 0.219 380 A C 2.003 179.541 177.584 -0.076 0.000 1.176 380 A CA 1.351 53.407 52.037 0.032 0.000 0.631 380 A CB -0.579 18.501 19.000 0.135 0.000 0.814 380 A HN 0.400 nan 8.150 nan 0.000 0.446 381 L N -0.178 120.995 121.223 -0.083 0.000 2.017 381 L HA -0.052 4.290 4.340 0.004 0.000 0.208 381 L C 2.676 179.125 176.870 -0.702 0.000 1.073 381 L CA 2.289 56.998 54.840 -0.218 0.000 0.745 381 L CB -1.012 41.074 42.059 0.045 0.000 0.894 381 L HN 0.344 nan 8.230 nan 0.000 0.432 382 A N -0.394 122.114 122.820 -0.518 0.000 1.903 382 A HA -0.214 4.109 4.320 0.004 0.000 0.219 382 A C 2.171 179.404 177.584 -0.585 0.000 1.191 382 A CA 2.097 53.654 52.037 -0.801 0.000 0.638 382 A CB -1.002 17.580 19.000 -0.697 0.000 0.823 382 A HN 0.463 nan 8.150 nan 0.000 0.451 383 L N -1.076 119.940 121.223 -0.345 0.000 2.376 383 L HA -0.057 4.285 4.340 0.004 0.000 0.219 383 L C 2.738 179.451 176.870 -0.262 0.000 1.133 383 L CA 1.498 56.206 54.840 -0.221 0.000 0.816 383 L CB -1.350 40.646 42.059 -0.106 0.000 0.933 383 L HN 0.500 nan 8.230 nan 0.000 0.449 384 A N -0.923 121.676 122.820 -0.368 0.000 2.067 384 A HA -0.058 4.265 4.320 0.004 0.000 0.217 384 A C 0.696 178.108 177.584 -0.287 0.000 1.156 384 A CA -0.065 51.800 52.037 -0.285 0.000 0.683 384 A CB -0.343 18.520 19.000 -0.228 0.000 0.808 384 A HN 0.175 nan 8.150 nan 0.000 0.455 385 F N 0.318 120.050 119.950 -0.363 0.000 2.578 385 F HA 0.409 4.938 4.527 0.004 0.000 0.381 385 F C 1.710 176.926 175.800 -0.973 0.000 1.069 385 F CA 0.698 58.277 58.000 -0.702 0.000 1.231 385 F CB -0.346 38.111 39.000 -0.905 0.000 1.086 385 F HN 0.306 nan 8.300 nan 0.000 0.564 386 G N 1.371 109.784 108.800 -0.646 0.000 2.234 386 G HA2 -0.271 3.691 3.960 0.004 0.000 0.260 386 G HA3 -0.271 3.691 3.960 0.004 0.000 0.260 386 G C 0.938 175.811 174.900 -0.046 0.000 0.987 386 G CA 0.569 45.508 45.100 -0.268 0.000 0.625 386 G HN 1.037 nan 8.290 nan 0.000 0.532 387 A N -0.672 122.083 122.820 -0.107 0.000 1.963 387 A HA 0.575 4.897 4.320 0.004 0.000 0.211 387 A C 2.186 179.748 177.584 -0.037 0.000 1.380 387 A CA 2.400 54.391 52.037 -0.076 0.000 0.690 387 A CB -0.198 18.719 19.000 -0.139 0.000 1.060 387 A HN 1.435 nan 8.150 nan 0.000 0.498 388 T N -3.504 111.031 114.554 -0.033 0.000 3.087 388 T HA 0.567 4.919 4.350 0.004 0.000 0.283 388 T C 0.082 174.801 174.700 0.033 0.000 0.956 388 T CA -0.229 61.877 62.100 0.011 0.000 0.894 388 T CB -0.186 68.696 68.868 0.023 0.000 1.160 388 T HN 0.127 nan 8.240 nan 0.000 0.532 389 L N 2.079 123.321 121.223 0.031 0.000 2.354 389 L HA 0.633 4.975 4.340 0.004 0.000 0.264 389 L C -2.517 174.413 176.870 0.100 0.000 1.008 389 L CA -2.902 52.000 54.840 0.102 0.000 0.819 389 L CB 2.403 44.568 42.059 0.178 0.000 1.339 389 L HN -0.109 nan 8.230 nan 0.000 0.420 390 P HA 0.006 nan 4.420 nan 0.000 0.272 390 P C -1.241 176.067 177.300 0.014 0.000 1.230 390 P CA -0.343 62.813 63.100 0.093 0.000 0.788 390 P CB 0.398 32.148 31.700 0.084 0.000 0.949 391 W N 2.064 123.298 121.300 -0.109 0.000 2.190 391 W HA 0.231 4.894 4.660 0.004 0.000 0.330 391 W C -1.460 174.792 176.519 -0.446 0.000 1.299 391 W CA -1.511 55.628 57.345 -0.343 0.000 1.215 391 W CB -0.579 28.752 29.460 -0.214 0.000 1.147 391 W HN 0.287 nan 8.180 nan 0.000 0.563 392 P HA 0.014 nan 4.420 nan 0.000 0.279 392 P C 0.177 177.387 177.300 -0.151 0.000 1.318 392 P CA 0.207 63.104 63.100 -0.338 0.000 0.819 392 P CB 1.119 32.558 31.700 -0.435 0.000 0.927 393 E N 2.599 122.737 120.200 -0.103 0.000 2.478 393 E HA -0.015 4.337 4.350 0.004 0.000 0.198 393 E C 1.870 178.423 176.600 -0.079 0.000 1.046 393 E CA 0.652 57.005 56.400 -0.079 0.000 0.870 393 E CB -0.364 29.296 29.700 -0.066 0.000 0.818 393 E HN 0.611 nan 8.360 nan 0.000 0.527 394 G N -0.002 108.742 108.800 -0.092 0.000 2.986 394 G HA2 0.141 4.104 3.960 0.004 0.000 0.213 394 G HA3 0.141 4.104 3.960 0.004 0.000 0.213 394 G C 0.598 175.466 174.900 -0.054 0.000 1.156 394 G CA -0.245 44.808 45.100 -0.078 0.000 0.763 394 G HN 0.060 nan 8.290 nan 0.000 0.547 395 L N 2.023 123.218 121.223 -0.046 0.000 2.307 395 L HA 0.365 4.707 4.340 0.004 0.000 0.282 395 L C -1.918 174.935 176.870 -0.028 0.000 1.051 395 L CA -2.096 52.743 54.840 -0.002 0.000 0.804 395 L CB 1.690 43.791 42.059 0.071 0.000 1.197 395 L HN -0.075 nan 8.230 nan 0.000 0.431 396 P HA 0.108 nan 4.420 nan 0.000 0.268 396 P C -0.949 176.266 177.300 -0.142 0.000 1.205 396 P CA -0.241 62.773 63.100 -0.144 0.000 0.771 396 P CB 0.766 32.257 31.700 -0.349 0.000 0.858 397 R N 2.455 122.880 120.500 -0.126 0.000 2.343 397 R HA 0.497 4.839 4.340 0.004 0.000 0.320 397 R C -0.626 175.615 176.300 -0.097 0.000 0.956 397 R CA -0.626 55.420 56.100 -0.090 0.000 0.836 397 R CB 0.528 30.777 30.300 -0.086 0.000 1.151 397 R HN 0.480 nan 8.270 nan 0.000 0.450 398 L N 3.596 124.752 121.223 -0.112 0.000 2.305 398 L HA 0.599 4.941 4.340 0.004 0.000 0.284 398 L C -0.113 176.728 176.870 -0.049 0.000 1.013 398 L CA -0.870 53.924 54.840 -0.076 0.000 0.819 398 L CB 1.841 43.731 42.059 -0.281 0.000 1.227 398 L HN 0.633 nan 8.230 nan 0.000 0.417 399 A N 5.384 128.222 122.820 0.030 0.000 2.305 399 A HA 0.856 5.178 4.320 0.004 0.000 0.322 399 A C -0.617 176.993 177.584 0.044 0.000 1.187 399 A CA -0.428 51.621 52.037 0.019 0.000 0.825 399 A CB 0.848 19.853 19.000 0.010 0.000 1.164 399 A HN 0.692 nan 8.150 nan 0.000 0.498 400 L N 1.727 122.963 121.223 0.022 0.000 2.362 400 L HA 0.553 4.895 4.340 0.004 0.000 0.271 400 L C 0.728 177.627 176.870 0.048 0.000 1.002 400 L CA -0.799 54.060 54.840 0.030 0.000 0.818 400 L CB 2.432 44.487 42.059 -0.008 0.000 1.298 400 L HN 0.878 nan 8.230 nan 0.000 0.420 401 T N -1.960 112.617 114.554 0.039 0.000 2.882 401 T HA 0.294 4.646 4.350 0.004 0.000 0.287 401 T C -2.041 172.673 174.700 0.022 0.000 1.014 401 T CA -1.690 60.438 62.100 0.045 0.000 1.049 401 T CB 1.408 70.291 68.868 0.026 0.000 1.001 401 T HN 0.331 nan 8.240 nan 0.000 0.525 402 P HA 0.008 nan 4.420 nan 0.000 0.220 402 P C 0.853 178.034 177.300 -0.197 0.000 1.148 402 P CA 0.832 63.859 63.100 -0.122 0.000 0.803 402 P CB 0.048 31.626 31.700 -0.204 0.000 0.782 403 E N -1.058 119.078 120.200 -0.106 0.000 2.371 403 E HA -0.028 4.324 4.350 0.004 0.000 0.194 403 E C 0.636 177.199 176.600 -0.061 0.000 1.012 403 E CA 0.206 56.552 56.400 -0.091 0.000 0.860 403 E CB -0.697 28.971 29.700 -0.053 0.000 0.811 403 E HN 0.195 nan 8.360 nan 0.000 0.502 404 D N 1.320 121.695 120.400 -0.041 0.000 2.401 404 D HA -0.027 4.616 4.640 0.004 0.000 0.254 404 D C -1.428 174.859 176.300 -0.021 0.000 1.192 404 D CA -1.868 52.121 54.000 -0.017 0.000 0.885 404 D CB 1.097 41.899 40.800 0.003 0.000 1.147 404 D HN -0.079 nan 8.370 nan 0.000 0.478 405 P HA -0.140 nan 4.420 nan 0.000 0.219 405 P C 1.114 178.423 177.300 0.015 0.000 1.146 405 P CA 0.827 63.923 63.100 -0.006 0.000 0.808 405 P CB 0.308 32.010 31.700 0.004 0.000 0.779 406 R N -0.063 120.458 120.500 0.034 0.000 2.120 406 R HA -0.052 4.290 4.340 0.004 0.000 0.234 406 R C 2.433 178.783 176.300 0.083 0.000 1.123 406 R CA 1.306 57.448 56.100 0.069 0.000 0.975 406 R CB -0.876 29.474 30.300 0.083 0.000 0.866 406 R HN 0.165 nan 8.270 nan 0.000 0.446 407 A N 1.334 124.180 122.820 0.043 0.000 1.877 407 A HA -0.180 4.142 4.320 0.004 0.000 0.216 407 A C 2.075 179.704 177.584 0.074 0.000 1.186 407 A CA 1.192 53.262 52.037 0.055 0.000 0.620 407 A CB -0.485 18.522 19.000 0.011 0.000 0.822 407 A HN 0.240 nan 8.150 nan 0.000 0.443 408 L N -0.421 120.807 121.223 0.009 0.000 2.093 408 L HA 0.004 4.347 4.340 0.004 0.000 0.208 408 L C 2.664 179.506 176.870 -0.048 0.000 1.085 408 L CA 2.049 56.874 54.840 -0.025 0.000 0.755 408 L CB -0.779 41.262 42.059 -0.031 0.000 0.904 408 L HN 0.352 nan 8.230 nan 0.000 0.435 409 A N -0.850 121.975 122.820 0.008 0.000 1.877 409 A HA -0.272 4.050 4.320 0.004 0.000 0.216 409 A C 2.305 179.902 177.584 0.022 0.000 1.186 409 A CA 1.902 53.944 52.037 0.008 0.000 0.620 409 A CB -1.240 17.786 19.000 0.044 0.000 0.822 409 A HN 0.535 nan 8.150 nan 0.000 0.443 410 F N 0.953 120.873 119.950 -0.050 0.000 2.134 410 F HA -0.058 4.472 4.527 0.006 0.000 0.299 410 F C 2.431 178.190 175.800 -0.069 0.000 1.097 410 F CA 1.360 59.336 58.000 -0.040 0.000 1.264 410 F CB -0.215 38.777 39.000 -0.013 0.000 1.001 410 F HN 0.233 nan 8.300 nan 0.000 0.479 411 A N -0.754 122.117 122.820 0.086 0.000 2.067 411 A HA -0.130 4.192 4.320 0.004 0.000 0.219 411 A C 1.858 179.236 177.584 -0.344 0.000 1.158 411 A CA 1.784 53.784 52.037 -0.062 0.000 0.661 411 A CB -1.328 17.665 19.000 -0.011 0.000 0.801 411 A HN 0.489 nan 8.150 nan 0.000 0.452 412 T N -5.440 108.894 114.554 -0.368 0.000 3.176 412 T HA 0.470 4.822 4.350 0.004 0.000 0.263 412 T C 1.046 175.625 174.700 -0.202 0.000 1.021 412 T CA 0.890 62.777 62.100 -0.355 0.000 0.905 412 T CB 0.246 68.893 68.868 -0.368 0.000 1.057 412 T HN 1.562 nan 8.240 nan 0.000 0.558 413 G N 0.977 109.636 108.800 -0.235 0.000 2.179 413 G HA2 -0.171 3.791 3.960 0.004 0.000 0.220 413 G HA3 -0.171 3.791 3.960 0.004 0.000 0.220 413 G C -0.346 174.453 174.900 -0.168 0.000 0.990 413 G CA -0.395 44.580 45.100 -0.208 0.000 0.646 413 G HN 0.619 nan 8.290 nan 0.000 0.517 414 E N 0.362 120.481 120.200 -0.135 0.000 2.242 414 E HA 0.520 4.872 4.350 0.004 0.000 0.275 414 E C 0.866 177.456 176.600 -0.018 0.000 1.002 414 E CA -0.303 56.063 56.400 -0.057 0.000 0.841 414 E CB 1.350 31.041 29.700 -0.016 0.000 1.109 414 E HN 0.331 nan 8.360 nan 0.000 0.394 415 G N 0.869 109.679 108.800 0.018 0.000 2.442 415 G HA2 0.378 4.340 3.960 0.004 0.000 0.249 415 G HA3 0.378 4.340 3.960 0.004 0.000 0.249 415 G C -0.157 174.812 174.900 0.115 0.000 1.263 415 G CA -0.360 44.787 45.100 0.079 0.000 0.846 415 G HN 0.301 nan 8.290 nan 0.000 0.555 416 V N -0.561 119.455 119.914 0.170 0.000 3.040 416 V HA 0.895 5.018 4.120 0.004 0.000 0.312 416 V C 0.448 176.651 176.094 0.182 0.000 1.115 416 V CA -0.943 61.456 62.300 0.164 0.000 0.998 416 V CB 1.289 33.226 31.823 0.189 0.000 1.042 416 V HN 1.377 nan 8.190 nan 0.000 0.433 417 A N 3.200 126.114 122.820 0.157 0.000 2.498 417 A HA 0.433 4.755 4.320 0.004 0.000 0.239 417 A C -0.415 177.333 177.584 0.274 0.000 1.068 417 A CA -0.154 51.984 52.037 0.168 0.000 0.766 417 A CB 0.134 19.195 19.000 0.100 0.000 1.003 417 A HN 1.495 nan 8.150 nan 0.000 0.497 418 W N 3.867 125.186 121.300 0.032 0.000 2.830 418 W HA 0.324 4.987 4.660 0.004 0.000 0.335 418 W C 0.112 176.644 176.519 0.022 0.000 1.043 418 W CA -0.561 56.802 57.345 0.030 0.000 1.239 418 W CB 1.698 31.186 29.460 0.047 0.000 1.378 418 W HN 0.894 nan 8.180 nan 0.000 0.456 419 E N 3.560 123.341 120.200 -0.698 0.000 2.465 419 E HA 0.208 4.561 4.350 0.004 0.000 0.191 419 E C 0.465 176.616 176.600 -0.748 0.000 1.053 419 E CA 0.019 56.080 56.400 -0.564 0.000 0.869 419 E CB 0.614 30.077 29.700 -0.396 0.000 0.977 419 E HN 0.437 nan 8.360 nan 0.000 0.483 420 G N 0.260 108.227 108.800 -1.389 0.000 3.107 420 G HA2 0.361 4.323 3.960 0.004 0.000 0.232 420 G HA3 0.361 4.323 3.960 0.004 0.000 0.232 420 G C -0.712 174.130 174.900 -0.097 0.000 1.339 420 G CA -0.783 43.870 45.100 -0.745 0.000 1.033 420 G HN 0.077 nan 8.290 nan 0.000 0.567 421 E N 0.183 120.466 120.200 0.138 0.000 2.392 421 E HA 0.159 4.511 4.350 0.004 0.000 0.256 421 E C -0.738 175.886 176.600 0.039 0.000 1.145 421 E CA -0.333 56.093 56.400 0.042 0.000 0.929 421 E CB 0.612 30.259 29.700 -0.088 0.000 0.998 421 E HN 0.243 nan 8.360 nan 0.000 0.442 422 D N 1.559 121.911 120.400 -0.081 0.000 2.424 422 D HA 0.077 4.719 4.640 0.004 0.000 0.244 422 D C -0.465 175.613 176.300 -0.371 0.000 1.134 422 D CA 0.670 54.613 54.000 -0.096 0.000 0.881 422 D CB 0.382 41.163 40.800 -0.032 0.000 1.191 422 D HN 0.290 nan 8.370 nan 0.000 0.445 423 H N 1.937 121.044 119.070 0.062 0.000 3.013 423 H HA 0.179 4.737 4.556 0.004 0.000 0.326 423 H C -1.813 173.529 175.328 0.023 0.000 0.973 423 H CA -1.463 54.606 56.048 0.035 0.000 1.369 423 H CB 1.963 31.729 29.762 0.006 0.000 1.598 423 H HN 0.106 nan 8.280 nan 0.000 0.518 424 P HA -0.116 nan 4.420 nan 0.000 0.216 424 P C -0.001 177.365 177.300 0.110 0.000 1.150 424 P CA 0.841 63.999 63.100 0.096 0.000 0.837 424 P CB 0.663 32.410 31.700 0.079 0.000 0.786 425 L N -1.820 119.487 121.223 0.139 0.000 2.516 425 L HA 0.709 5.051 4.340 0.004 0.000 0.267 425 L C -1.428 175.546 176.870 0.173 0.000 0.957 425 L CA -0.911 54.026 54.840 0.162 0.000 0.860 425 L CB 1.512 43.671 42.059 0.167 0.000 1.265 425 L HN -0.171 nan 8.230 nan 0.000 0.403 426 A N 3.834 126.763 122.820 0.182 0.000 2.527 426 A HA 0.835 5.158 4.320 0.004 0.000 0.293 426 A C -1.985 175.714 177.584 0.192 0.000 1.117 426 A CA -0.610 51.483 52.037 0.094 0.000 0.723 426 A CB 1.635 20.573 19.000 -0.104 0.000 1.313 426 A HN 0.703 nan 8.150 nan 0.000 0.411 427 L N 1.594 122.878 121.223 0.101 0.000 2.272 427 L HA 0.621 4.964 4.340 0.004 0.000 0.289 427 L C -0.808 176.062 176.870 0.000 0.000 1.032 427 L CA -0.216 54.662 54.840 0.065 0.000 0.810 427 L CB 1.184 43.302 42.059 0.098 0.000 1.205 427 L HN 0.400 nan 8.230 nan 0.000 0.422 428 V N 6.152 126.054 119.914 -0.020 0.000 2.439 428 V HA 0.630 4.752 4.120 0.004 0.000 0.282 428 V C -0.016 176.066 176.094 -0.019 0.000 1.039 428 V CA -0.348 61.870 62.300 -0.137 0.000 0.913 428 V CB 1.516 33.065 31.823 -0.457 0.000 0.983 428 V HN 0.678 nan 8.190 nan 0.000 0.460 429 V N 3.553 123.465 119.914 -0.002 0.000 3.074 429 V HA 0.718 4.840 4.120 0.004 0.000 0.314 429 V C -0.934 175.219 176.094 0.098 0.000 1.117 429 V CA -1.172 61.194 62.300 0.110 0.000 1.014 429 V CB 2.107 34.024 31.823 0.157 0.000 1.057 429 V HN 0.526 nan 8.190 nan 0.000 0.438 430 L N 2.755 124.096 121.223 0.197 0.000 2.276 430 L HA 0.528 4.871 4.340 0.004 0.000 0.286 430 L C 0.198 177.188 176.870 0.200 0.000 1.061 430 L CA 0.081 55.059 54.840 0.230 0.000 0.807 430 L CB 0.962 43.251 42.059 0.384 0.000 1.177 430 L HN 0.940 nan 8.230 nan 0.000 0.429 431 K N 3.043 123.524 120.400 0.134 0.000 2.234 431 K HA 0.572 4.894 4.320 0.004 0.000 0.277 431 K C -0.492 176.188 176.600 0.134 0.000 1.038 431 K CA -0.281 56.052 56.287 0.077 0.000 0.888 431 K CB 0.699 33.216 32.500 0.027 0.000 1.091 431 K HN 0.799 nan 8.250 nan 0.000 0.467 432 T N -0.114 114.518 114.554 0.131 0.000 2.838 432 T HA 0.467 4.820 4.350 0.004 0.000 0.292 432 T C 0.787 175.535 174.700 0.081 0.000 1.113 432 T CA -0.495 61.708 62.100 0.172 0.000 1.008 432 T CB 1.525 70.580 68.868 0.312 0.000 1.259 432 T HN 0.397 nan 8.240 nan 0.000 0.520 433 A N -0.048 122.814 122.820 0.070 0.000 2.168 433 A HA 0.478 4.801 4.320 0.004 0.000 0.215 433 A C 2.079 179.680 177.584 0.028 0.000 1.152 433 A CA 1.136 53.188 52.037 0.026 0.000 0.716 433 A CB -1.096 17.910 19.000 0.010 0.000 0.794 433 A HN 1.298 nan 8.150 nan 0.000 0.465 434 A N -1.523 121.345 122.820 0.080 0.000 2.348 434 A HA 0.532 4.854 4.320 0.004 0.000 0.224 434 A C 1.157 178.759 177.584 0.030 0.000 1.227 434 A CA 0.977 53.081 52.037 0.113 0.000 0.885 434 A CB -0.559 18.573 19.000 0.220 0.000 0.933 434 A HN 1.910 nan 8.150 nan 0.000 0.506 435 G N -0.736 108.006 108.800 -0.098 0.000 2.373 435 G HA2 0.032 3.995 3.960 0.004 0.000 0.634 435 G HA3 0.032 3.995 3.960 0.004 0.000 0.634 435 G C -1.025 173.554 174.900 -0.534 0.000 1.267 435 G CA -0.714 44.192 45.100 -0.323 0.000 1.008 435 G HN 0.270 nan 8.290 nan 0.000 0.497 436 E N -0.580 119.268 120.200 -0.587 0.000 2.216 436 E HA 0.609 4.961 4.350 0.004 0.000 0.279 436 E C -1.126 175.171 176.600 -0.505 0.000 0.997 436 E CA -0.246 55.901 56.400 -0.422 0.000 0.817 436 E CB 1.230 30.737 29.700 -0.321 0.000 1.096 436 E HN 0.289 nan 8.360 nan 0.000 0.393 437 F N 2.967 123.075 119.950 0.262 0.000 2.529 437 F HA 0.313 4.842 4.527 0.004 0.000 0.320 437 F C -2.140 173.803 175.800 0.238 0.000 1.118 437 F CA -2.771 55.389 58.000 0.268 0.000 0.915 437 F CB 1.509 40.590 39.000 0.135 0.000 1.161 437 F HN 0.232 nan 8.300 nan 0.000 0.445 438 P HA 0.174 nan 4.420 nan 0.000 0.271 438 P C 0.044 177.436 177.300 0.154 0.000 1.218 438 P CA 0.049 63.259 63.100 0.183 0.000 0.780 438 P CB 1.699 33.390 31.700 -0.014 0.000 0.901 439 L N 0.303 121.618 121.223 0.153 0.000 2.515 439 L HA 0.339 4.681 4.340 0.004 0.000 0.202 439 L C 0.794 177.771 176.870 0.178 0.000 1.056 439 L CA 0.809 55.769 54.840 0.201 0.000 0.847 439 L CB 0.143 42.377 42.059 0.292 0.000 1.131 439 L HN 0.407 nan 8.230 nan 0.000 0.484 440 D N -2.503 118.003 120.400 0.176 0.000 2.807 440 D HA 0.189 4.832 4.640 0.004 0.000 0.279 440 D C -1.414 174.929 176.300 0.071 0.000 1.247 440 D CA -0.561 53.511 54.000 0.119 0.000 0.749 440 D CB 0.928 41.841 40.800 0.189 0.000 1.264 440 D HN -0.284 nan 8.370 nan 0.000 0.421 441 F N 0.585 120.650 119.950 0.191 0.000 2.471 441 F HA 0.566 5.095 4.527 0.003 0.000 0.353 441 F C 1.476 177.410 175.800 0.225 0.000 1.113 441 F CA 0.757 58.872 58.000 0.191 0.000 1.262 441 F CB 1.357 40.437 39.000 0.134 0.000 1.146 441 F HN 0.244 nan 8.300 nan 0.000 0.578 442 G N 1.776 110.807 108.800 0.386 0.000 2.574 442 G HA2 0.569 4.532 3.960 0.004 0.000 0.299 442 G HA3 0.569 4.532 3.960 0.004 0.000 0.299 442 G C -1.952 173.048 174.900 0.166 0.000 1.298 442 G CA -0.939 44.351 45.100 0.316 0.000 0.952 442 G HN 0.553 nan 8.290 nan 0.000 0.477 443 K N 0.239 120.707 120.400 0.113 0.000 2.413 443 K HA 0.675 4.997 4.320 0.004 0.000 0.257 443 K C -0.584 176.016 176.600 -0.000 0.000 0.946 443 K CA -0.666 55.658 56.287 0.061 0.000 0.823 443 K CB 1.667 34.204 32.500 0.062 0.000 1.109 443 K HN 0.621 nan 8.250 nan 0.000 0.427 444 A N 4.604 127.398 122.820 -0.043 0.000 2.276 444 A HA 0.465 4.787 4.320 0.004 0.000 0.316 444 A C -1.032 176.568 177.584 0.028 0.000 1.229 444 A CA -0.557 51.410 52.037 -0.116 0.000 0.851 444 A CB 0.633 19.408 19.000 -0.375 0.000 1.165 444 A HN 0.740 nan 8.150 nan 0.000 0.513 445 K N 2.364 122.808 120.400 0.073 0.000 2.581 445 K HA 0.360 4.682 4.320 0.004 0.000 0.249 445 K C -0.530 176.135 176.600 0.107 0.000 0.966 445 K CA -0.737 55.599 56.287 0.083 0.000 0.811 445 K CB 0.727 33.260 32.500 0.056 0.000 1.223 445 K HN 0.647 nan 8.250 nan 0.000 0.438 446 R N 2.015 122.577 120.500 0.104 0.000 3.322 446 R HA -0.201 4.141 4.340 0.004 0.000 0.253 446 R C 0.483 176.853 176.300 0.117 0.000 0.987 446 R CA 1.178 57.333 56.100 0.091 0.000 0.666 446 R CB -2.498 27.839 30.300 0.061 0.000 1.072 446 R HN 1.228 nan 8.270 nan 0.000 0.447 447 G N -2.223 106.689 108.800 0.187 0.000 2.143 447 G HA2 -0.319 3.643 3.960 0.004 0.000 0.249 447 G HA3 -0.319 3.643 3.960 0.004 0.000 0.249 447 G C 0.024 175.069 174.900 0.241 0.000 0.981 447 G CA 0.105 45.326 45.100 0.201 0.000 0.665 447 G HN 0.383 nan 8.290 nan 0.000 0.528 448 V N 0.441 120.495 119.914 0.233 0.000 2.588 448 V HA 0.734 4.856 4.120 0.004 0.000 0.304 448 V C -0.227 175.958 176.094 0.151 0.000 1.042 448 V CA -0.950 61.465 62.300 0.192 0.000 0.877 448 V CB 1.879 33.774 31.823 0.120 0.000 0.996 448 V HN 0.495 nan 8.190 nan 0.000 0.425 449 L N 6.069 127.378 121.223 0.142 0.000 2.298 449 L HA 0.666 5.008 4.340 0.004 0.000 0.284 449 L C -0.167 176.809 176.870 0.178 0.000 1.013 449 L CA 0.045 54.897 54.840 0.019 0.000 0.824 449 L CB 1.014 42.968 42.059 -0.175 0.000 1.221 449 L HN 0.611 nan 8.230 nan 0.000 0.418 450 R N 5.620 126.217 120.500 0.163 0.000 2.589 450 R HA 0.576 4.918 4.340 0.004 0.000 0.293 450 R C -2.517 173.856 176.300 0.121 0.000 0.963 450 R CA -1.932 54.243 56.100 0.126 0.000 0.905 450 R CB 1.556 31.884 30.300 0.046 0.000 1.144 450 R HN 0.446 nan 8.270 nan 0.000 0.459 451 P HA 0.015 nan 4.420 nan 0.000 0.276 451 P C 0.369 177.584 177.300 -0.142 0.000 1.235 451 P CA -0.117 62.700 63.100 -0.472 0.000 0.772 451 P CB 1.040 32.176 31.700 -0.940 0.000 0.871 452 V N 0.145 120.059 119.914 -0.000 0.000 3.398 452 V HA 0.418 4.540 4.120 0.004 0.000 0.298 452 V C 0.831 176.938 176.094 0.021 0.000 1.496 452 V CA 0.225 62.532 62.300 0.011 0.000 1.044 452 V CB -0.261 31.580 31.823 0.031 0.000 0.880 452 V HN 0.493 nan 8.190 nan 0.000 0.443 453 G N 2.099 110.958 108.800 0.099 0.000 2.305 453 G HA2 0.398 4.361 3.960 0.004 0.000 0.243 453 G HA3 0.398 4.361 3.960 0.004 0.000 0.243 453 G C 0.084 174.999 174.900 0.026 0.000 1.288 453 G CA 0.582 45.756 45.100 0.123 0.000 0.901 453 G HN 1.170 nan 8.290 nan 0.000 0.516 454 V N 1.702 121.596 119.914 -0.033 0.000 2.775 454 V HA 0.741 4.863 4.120 0.004 0.000 0.299 454 V C 0.952 177.139 176.094 0.154 0.000 1.062 454 V CA -0.313 62.007 62.300 0.033 0.000 1.063 454 V CB 0.894 32.722 31.823 0.009 0.000 0.994 454 V HN 0.852 nan 8.190 nan 0.000 0.483 455 G N 2.897 111.803 108.800 0.177 0.000 2.448 455 G HA2 0.523 4.485 3.960 0.004 0.000 0.285 455 G HA3 0.523 4.485 3.960 0.004 0.000 0.285 455 G C -0.784 174.230 174.900 0.191 0.000 1.176 455 G CA -0.833 44.367 45.100 0.165 0.000 0.852 455 G HN 1.027 nan 8.290 nan 0.000 0.530 456 L N 1.505 122.804 121.223 0.126 0.000 2.325 456 L HA 0.547 4.890 4.340 0.004 0.000 0.284 456 L C 0.443 177.223 176.870 -0.150 0.000 1.089 456 L CA -0.063 54.756 54.840 -0.034 0.000 0.836 456 L CB -0.198 41.901 42.059 0.066 0.000 1.184 456 L HN 0.555 nan 8.230 nan 0.000 0.444 457 R N 2.684 122.968 120.500 -0.359 0.000 2.774 457 R HA 0.411 4.754 4.340 0.004 0.000 0.272 457 R C -0.952 174.932 176.300 -0.693 0.000 1.000 457 R CA -0.892 54.942 56.100 -0.444 0.000 0.906 457 R CB 1.949 32.008 30.300 -0.401 0.000 1.227 457 R HN 0.551 nan 8.270 nan 0.000 0.468 458 S N 1.557 116.985 115.700 -0.453 0.000 2.455 458 S HA 0.165 4.638 4.470 0.004 0.000 0.278 458 S C -0.276 174.077 174.600 -0.412 0.000 1.216 458 S CA -0.393 57.588 58.200 -0.364 0.000 1.055 458 S CB -0.024 63.066 63.200 -0.185 0.000 0.939 458 S HN 0.393 nan 8.310 nan 0.000 0.494 459 H N 0.000 118.994 119.070 -0.126 0.000 2.539 459 H HA 0.000 4.557 4.556 0.002 0.000 0.296 459 H CA 0.000 55.992 56.048 -0.093 0.000 1.023 459 H CB 0.000 29.682 29.762 -0.133 0.000 1.292 459 H HN 0.000 nan 8.280 nan 0.000 0.496