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 3d9d_1_C DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE NGGNIGLRRR QMQRVMALED YEPWAATYGS 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.016 176.094 -0.131 0.000 1.182 2 V CA 0.000 62.228 62.300 -0.120 0.000 1.235 2 V CB 0.000 31.761 31.823 -0.104 0.000 1.184 3 D N 3.886 124.127 120.400 -0.265 0.000 2.857 3 D HA 0.668 5.308 4.640 -0.000 0.000 0.227 3 D C -0.394 175.694 176.300 -0.352 0.000 1.192 3 D CA -0.299 53.598 54.000 -0.171 0.000 0.857 3 D CB 1.942 42.697 40.800 -0.075 0.000 1.645 3 D HN 0.439 nan 8.370 nan 0.000 0.482 4 F N 0.869 120.864 119.950 0.074 0.000 2.706 4 F HA 0.345 4.872 4.527 -0.000 0.000 0.313 4 F C 0.830 176.709 175.800 0.131 0.000 1.096 4 F CA -0.435 57.645 58.000 0.134 0.000 1.219 4 F CB 0.495 39.575 39.000 0.132 0.000 1.051 4 F HN -0.043 nan 8.300 nan 0.000 0.568 5 K N 1.960 122.476 120.400 0.194 0.000 2.322 5 K HA 0.333 4.653 4.320 -0.000 0.000 0.283 5 K C -0.279 176.359 176.600 0.064 0.000 1.042 5 K CA -0.090 56.275 56.287 0.131 0.000 0.958 5 K CB 0.796 33.347 32.500 0.086 0.000 0.984 5 K HN 0.090 nan 8.250 nan 0.000 0.473 6 L N 2.635 123.893 121.223 0.058 0.000 2.326 6 L HA 0.166 4.506 4.340 -0.000 0.000 0.278 6 L C 0.734 177.591 176.870 -0.022 0.000 1.092 6 L CA -0.482 54.346 54.840 -0.020 0.000 0.810 6 L CB 1.301 43.358 42.059 -0.003 0.000 1.153 6 L HN 0.740 nan 8.230 nan 0.000 0.439 7 S N 2.192 117.857 115.700 -0.058 0.000 2.614 7 S HA 0.297 4.767 4.470 -0.000 0.000 0.265 7 S C -1.858 172.739 174.600 -0.005 0.000 1.303 7 S CA -1.146 57.042 58.200 -0.021 0.000 1.000 7 S CB 1.201 64.395 63.200 -0.011 0.000 0.935 7 S HN 0.402 nan 8.310 nan 0.000 0.551 8 P HA -0.182 nan 4.420 nan 0.000 0.216 8 P C 1.805 179.129 177.300 0.042 0.000 1.154 8 P CA 2.044 65.161 63.100 0.028 0.000 0.865 8 P CB -0.217 31.500 31.700 0.028 0.000 0.789 9 S N -1.565 114.175 115.700 0.067 0.000 2.428 9 S HA -0.161 4.309 4.470 -0.000 0.000 0.230 9 S C 1.993 176.677 174.600 0.141 0.000 1.014 9 S CA 0.813 59.087 58.200 0.123 0.000 0.957 9 S CB -0.987 62.312 63.200 0.166 0.000 0.784 9 S HN 0.197 nan 8.310 nan 0.000 0.499 10 Q N 0.821 120.604 119.800 -0.028 0.000 2.049 10 Q HA 0.168 4.508 4.340 -0.000 0.000 0.198 10 Q C 2.245 178.204 176.000 -0.069 0.000 0.971 10 Q CA 1.411 57.053 55.803 -0.268 0.000 0.833 10 Q CB -0.400 28.051 28.738 -0.479 0.000 0.896 10 Q HN 0.521 nan 8.270 nan 0.000 0.434 11 L N 0.546 121.759 121.223 -0.016 0.000 2.083 11 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 11 L C 2.411 179.319 176.870 0.064 0.000 1.083 11 L CA 1.186 56.047 54.840 0.034 0.000 0.752 11 L CB -0.284 41.799 42.059 0.039 0.000 0.899 11 L HN 0.264 nan 8.230 nan 0.000 0.433 12 E N 0.606 120.847 120.200 0.069 0.000 2.112 12 E HA -0.137 4.212 4.350 -0.000 0.000 0.190 12 E C 2.092 178.768 176.600 0.127 0.000 0.979 12 E CA 1.238 57.693 56.400 0.091 0.000 0.814 12 E CB -0.045 29.698 29.700 0.071 0.000 0.762 12 E HN 0.316 nan 8.360 nan 0.000 0.460 13 A N 1.139 124.035 122.820 0.128 0.000 1.933 13 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 13 A C 2.307 179.997 177.584 0.177 0.000 1.175 13 A CA 1.729 53.864 52.037 0.163 0.000 0.628 13 A CB -0.630 18.486 19.000 0.193 0.000 0.814 13 A HN 0.301 nan 8.150 nan 0.000 0.444 14 R N -0.627 119.952 120.500 0.132 0.000 2.066 14 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 14 R C 2.453 178.839 176.300 0.142 0.000 1.131 14 R CA 1.356 57.536 56.100 0.134 0.000 0.955 14 R CB -0.364 30.004 30.300 0.113 0.000 0.851 14 R HN 0.488 nan 8.270 nan 0.000 0.432 15 R N -0.479 120.103 120.500 0.136 0.000 2.096 15 R HA -0.243 4.097 4.340 -0.000 0.000 0.240 15 R C 2.261 178.660 176.300 0.165 0.000 1.139 15 R CA 2.307 58.486 56.100 0.132 0.000 0.952 15 R CB -0.501 29.870 30.300 0.119 0.000 0.854 15 R HN 0.449 nan 8.270 nan 0.000 0.436 16 H N -0.194 118.943 119.070 0.111 0.000 2.389 16 H HA 0.015 4.570 4.556 -0.000 0.000 0.299 16 H C 1.742 177.174 175.328 0.174 0.000 1.081 16 H CA 1.943 58.075 56.048 0.139 0.000 1.345 16 H CB -0.096 29.736 29.762 0.116 0.000 1.393 16 H HN 0.347 nan 8.280 nan 0.000 0.520 17 A N 0.556 123.467 122.820 0.151 0.000 1.858 17 A HA -0.211 4.108 4.320 -0.000 0.000 0.216 17 A C 2.304 179.958 177.584 0.116 0.000 1.190 17 A CA 1.692 53.805 52.037 0.127 0.000 0.617 17 A CB -0.683 18.419 19.000 0.170 0.000 0.827 17 A HN 0.648 nan 8.150 nan 0.000 0.443 18 Q N -0.628 119.234 119.800 0.104 0.000 2.077 18 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 18 Q C 2.425 178.451 176.000 0.043 0.000 0.989 18 Q CA 1.700 57.549 55.803 0.076 0.000 0.853 18 Q CB -0.431 28.352 28.738 0.076 0.000 0.907 18 Q HN 0.691 nan 8.270 nan 0.000 0.418 19 A N 0.325 123.171 122.820 0.043 0.000 1.930 19 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 19 A C 1.852 179.427 177.584 -0.014 0.000 1.175 19 A CA 1.110 53.162 52.037 0.025 0.000 0.627 19 A CB -0.713 18.322 19.000 0.058 0.000 0.815 19 A HN 0.458 nan 8.150 nan 0.000 0.443 20 F N 0.997 120.834 119.950 -0.187 0.000 2.113 20 F HA -0.023 4.504 4.527 -0.000 0.000 0.297 20 F C 2.473 178.178 175.800 -0.158 0.000 1.103 20 F CA 1.201 59.036 58.000 -0.274 0.000 1.248 20 F CB -0.442 38.315 39.000 -0.405 0.000 0.999 20 F HN 0.236 nan 8.300 nan 0.000 0.475 21 A N 0.350 123.098 122.820 -0.119 0.000 1.898 21 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 21 A C 1.975 179.451 177.584 -0.180 0.000 1.181 21 A CA 2.030 53.971 52.037 -0.159 0.000 0.620 21 A CB -1.172 17.825 19.000 -0.004 0.000 0.819 21 A HN 0.609 nan 8.150 nan 0.000 0.442 22 N N -0.835 117.797 118.700 -0.115 0.000 2.216 22 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 22 N C 1.817 177.261 175.510 -0.109 0.000 1.017 22 N CA 1.751 54.749 53.050 -0.088 0.000 0.861 22 N CB -0.130 38.333 38.487 -0.041 0.000 0.986 22 N HN 0.681 nan 8.380 nan 0.000 0.428 23 T N -2.722 111.748 114.554 -0.141 0.000 3.044 23 T HA 0.149 4.499 4.350 -0.000 0.000 0.255 23 T C 1.680 176.279 174.700 -0.168 0.000 1.073 23 T CA 0.279 62.309 62.100 -0.117 0.000 1.125 23 T CB -0.006 68.826 68.868 -0.061 0.000 0.908 23 T HN -0.102 nan 8.240 nan 0.000 0.480 24 V N 0.468 120.173 119.914 -0.349 0.000 2.743 24 V HA 0.263 4.383 4.120 -0.000 0.000 0.237 24 V C 2.391 178.356 176.094 -0.215 0.000 1.113 24 V CA 0.190 62.277 62.300 -0.355 0.000 1.141 24 V CB -0.364 30.986 31.823 -0.789 0.000 0.873 24 V HN 0.237 nan 8.190 nan 0.000 0.486 25 L N 1.436 122.425 121.223 -0.390 0.000 2.093 25 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 25 L C 2.806 179.548 176.870 -0.213 0.000 1.085 25 L CA 2.674 57.356 54.840 -0.262 0.000 0.755 25 L CB -1.436 40.486 42.059 -0.230 0.000 0.904 25 L HN 0.646 nan 8.230 nan 0.000 0.435 26 T N -3.864 110.590 114.554 -0.166 0.000 2.946 26 T HA -0.215 4.135 4.350 -0.000 0.000 0.271 26 T C 1.750 176.367 174.700 -0.138 0.000 1.104 26 T CA 1.099 63.119 62.100 -0.133 0.000 1.114 26 T CB -0.292 68.516 68.868 -0.100 0.000 0.867 26 T HN 0.274 nan 8.240 nan 0.000 0.513 27 K N 0.667 121.001 120.400 -0.109 0.000 2.400 27 K HA 0.426 4.746 4.320 -0.000 0.000 0.194 27 K C 2.565 179.036 176.600 -0.215 0.000 1.033 27 K CA 0.494 56.761 56.287 -0.035 0.000 1.021 27 K CB -0.088 32.526 32.500 0.189 0.000 0.808 27 K HN 0.423 nan 8.250 nan 0.000 0.505 28 A N 0.846 123.300 122.820 -0.609 0.000 1.898 28 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 28 A C 2.179 179.360 177.584 -0.673 0.000 1.181 28 A CA 1.749 53.173 52.037 -1.020 0.000 0.620 28 A CB -0.638 17.788 19.000 -0.955 0.000 0.819 28 A HN 0.226 nan 8.150 nan 0.000 0.442 29 S N -0.212 115.066 115.700 -0.704 0.000 2.374 29 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 29 S C 2.142 176.309 174.600 -0.722 0.000 1.037 29 S CA 1.719 59.257 58.200 -1.104 0.000 1.024 29 S CB -0.470 62.398 63.200 -0.553 0.000 0.861 29 S HN 0.845 nan 8.310 nan 0.000 0.456 30 A N 1.095 123.686 122.820 -0.383 0.000 1.972 30 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 30 A C 2.096 179.584 177.584 -0.161 0.000 1.169 30 A CA 1.568 53.477 52.037 -0.212 0.000 0.635 30 A CB -0.415 18.516 19.000 -0.114 0.000 0.810 30 A HN 0.570 nan 8.150 nan 0.000 0.446 31 E N -0.713 119.399 120.200 -0.148 0.000 2.060 31 E HA -0.104 4.246 4.350 -0.000 0.000 0.189 31 E C 1.957 178.556 176.600 -0.003 0.000 0.974 31 E CA 1.622 58.016 56.400 -0.010 0.000 0.808 31 E CB -0.740 29.063 29.700 0.171 0.000 0.768 31 E HN 0.959 nan 8.360 nan 0.000 0.453 32 Y N 0.294 120.583 120.300 -0.018 0.000 2.395 32 Y HA 0.173 4.723 4.550 -0.000 0.000 0.293 32 Y C 2.269 178.167 175.900 -0.002 0.000 1.123 32 Y CA 0.779 58.878 58.100 -0.000 0.000 1.227 32 Y CB -0.493 37.965 38.460 -0.004 0.000 1.012 32 Y HN -0.210 nan 8.280 nan 0.000 0.552 33 S N 0.368 115.981 115.700 -0.144 0.000 2.402 33 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 33 S C 1.845 176.448 174.600 0.005 0.000 1.030 33 S CA 1.834 60.003 58.200 -0.051 0.000 1.003 33 S CB -0.666 62.428 63.200 -0.177 0.000 0.813 33 S HN 0.652 nan 8.310 nan 0.000 0.477 34 T N 1.919 116.470 114.554 -0.004 0.000 2.915 34 T HA 0.002 4.352 4.350 -0.000 0.000 0.269 34 T C 0.844 175.567 174.700 0.038 0.000 1.071 34 T CA 0.822 62.928 62.100 0.011 0.000 1.132 34 T CB -0.043 68.828 68.868 0.004 0.000 0.878 34 T HN 0.317 nan 8.240 nan 0.000 0.479 35 Q N 1.002 120.845 119.800 0.071 0.000 2.260 35 Q HA 0.273 4.613 4.340 -0.000 0.000 0.238 35 Q C 0.973 177.014 176.000 0.069 0.000 0.948 35 Q CA -0.114 55.734 55.803 0.075 0.000 0.895 35 Q CB 1.288 30.087 28.738 0.101 0.000 1.218 35 Q HN 0.418 nan 8.270 nan 0.000 0.470 36 K N -0.483 119.950 120.400 0.056 0.000 2.361 36 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 36 K C 0.040 176.669 176.600 0.049 0.000 1.032 36 K CA 0.426 56.740 56.287 0.046 0.000 1.048 36 K CB 0.508 33.029 32.500 0.035 0.000 0.842 36 K HN 0.559 nan 8.250 nan 0.000 0.526 37 D N -0.761 119.674 120.400 0.059 0.000 2.599 37 D HA -0.017 4.623 4.640 -0.000 0.000 0.252 37 D C 0.155 176.500 176.300 0.075 0.000 1.232 37 D CA -0.602 53.434 54.000 0.059 0.000 0.819 37 D CB 1.411 42.243 40.800 0.053 0.000 1.401 37 D HN -0.092 nan 8.370 nan 0.000 0.429 38 Q N 0.067 119.910 119.800 0.072 0.000 2.014 38 Q HA -0.175 4.165 4.340 -0.000 0.000 0.207 38 Q C 2.058 178.130 176.000 0.121 0.000 0.993 38 Q CA 2.157 58.009 55.803 0.082 0.000 0.850 38 Q CB -0.514 28.263 28.738 0.064 0.000 0.916 38 Q HN 0.526 nan 8.270 nan 0.000 0.417 39 L N -0.105 121.185 121.223 0.113 0.000 2.013 39 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 39 L C 2.127 179.091 176.870 0.156 0.000 1.073 39 L CA 2.380 57.295 54.840 0.126 0.000 0.753 39 L CB -0.884 41.175 42.059 -0.000 0.000 0.890 39 L HN 0.204 nan 8.230 nan 0.000 0.432 40 S N -0.653 115.109 115.700 0.104 0.000 2.399 40 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 40 S C 1.974 176.654 174.600 0.134 0.000 1.022 40 S CA 1.183 59.441 58.200 0.096 0.000 0.983 40 S CB -0.309 62.933 63.200 0.069 0.000 0.803 40 S HN 0.470 nan 8.310 nan 0.000 0.480 41 R N -0.079 120.515 120.500 0.156 0.000 2.075 41 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 41 R C 2.077 178.501 176.300 0.208 0.000 1.126 41 R CA 1.289 57.492 56.100 0.173 0.000 0.963 41 R CB -0.497 29.874 30.300 0.117 0.000 0.858 41 R HN 0.399 nan 8.270 nan 0.000 0.435 42 F N 2.476 122.477 119.950 0.083 0.000 2.095 42 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 42 F C 2.138 178.116 175.800 0.295 0.000 1.104 42 F CA 1.744 59.834 58.000 0.150 0.000 1.232 42 F CB -0.331 38.729 39.000 0.100 0.000 0.987 42 F HN -0.023 nan 8.300 nan 0.000 0.475 43 Q N -0.047 119.825 119.800 0.121 0.000 2.124 43 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 43 Q C 2.386 178.372 176.000 -0.024 0.000 0.977 43 Q CA 1.515 57.321 55.803 0.006 0.000 0.850 43 Q CB -0.572 28.192 28.738 0.044 0.000 0.901 43 Q HN 0.527 nan 8.270 nan 0.000 0.429 44 A N 0.147 123.014 122.820 0.078 0.000 2.070 44 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 44 A C 2.071 179.797 177.584 0.236 0.000 1.159 44 A CA 1.530 53.648 52.037 0.135 0.000 0.656 44 A CB -0.483 18.629 19.000 0.186 0.000 0.800 44 A HN 0.251 nan 8.150 nan 0.000 0.453 45 T N -1.328 113.348 114.554 0.203 0.000 3.088 45 T HA -0.003 4.347 4.350 -0.000 0.000 0.259 45 T C 1.904 176.764 174.700 0.267 0.000 1.122 45 T CA 0.800 63.088 62.100 0.312 0.000 1.095 45 T CB -0.231 68.776 68.868 0.232 0.000 0.930 45 T HN 0.605 nan 8.240 nan 0.000 0.508 46 R N 1.304 121.713 120.500 -0.151 0.000 2.083 46 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 46 R C -0.974 175.151 176.300 -0.291 0.000 1.137 46 R CA 1.581 57.275 56.100 -0.676 0.000 0.951 46 R CB -0.892 28.661 30.300 -1.244 0.000 0.851 46 R HN 0.280 nan 8.270 nan 0.000 0.434 47 P HA -0.130 nan 4.420 nan 0.000 0.219 47 P C 0.447 177.537 177.300 -0.351 0.000 1.146 47 P CA 1.339 64.235 63.100 -0.341 0.000 0.808 47 P CB -0.055 31.329 31.700 -0.527 0.000 0.779 48 F N -3.375 116.611 119.950 0.060 0.000 2.270 48 F HA -0.026 4.501 4.527 -0.000 0.000 0.295 48 F C 2.405 178.366 175.800 0.268 0.000 1.087 48 F CA 0.670 58.751 58.000 0.134 0.000 1.365 48 F CB -1.211 37.858 39.000 0.114 0.000 1.056 48 F HN -0.141 nan 8.300 nan 0.000 0.506 49 Y N 1.174 121.656 120.300 0.303 0.000 2.200 49 Y HA -0.189 4.361 4.550 -0.000 0.000 0.290 49 Y C 2.743 178.760 175.900 0.194 0.000 1.137 49 Y CA 1.502 59.783 58.100 0.303 0.000 1.163 49 Y CB -0.366 38.356 38.460 0.435 0.000 0.988 49 Y HN -0.119 nan 8.280 nan 0.000 0.518 50 R N 0.241 120.871 120.500 0.217 0.000 2.112 50 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 50 R C 2.102 178.450 176.300 0.080 0.000 1.137 50 R CA 2.133 58.281 56.100 0.080 0.000 0.944 50 R CB -0.219 30.063 30.300 -0.031 0.000 0.857 50 R HN 0.298 nan 8.270 nan 0.000 0.435 51 E N -0.091 120.183 120.200 0.123 0.000 2.110 51 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 51 E C 1.847 178.632 176.600 0.309 0.000 0.988 51 E CA 1.196 57.748 56.400 0.253 0.000 0.804 51 E CB -0.241 29.609 29.700 0.250 0.000 0.745 51 E HN 0.486 nan 8.360 nan 0.000 0.458 52 A N 0.906 123.836 122.820 0.183 0.000 1.902 52 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 52 A C 2.612 180.085 177.584 -0.185 0.000 1.181 52 A CA 1.556 53.463 52.037 -0.217 0.000 0.623 52 A CB -0.700 18.184 19.000 -0.193 0.000 0.818 52 A HN 0.143 nan 8.150 nan 0.000 0.443 53 V N -0.087 119.740 119.914 -0.145 0.000 2.295 53 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 53 V C 2.630 178.723 176.094 -0.003 0.000 1.049 53 V CA 2.331 64.578 62.300 -0.090 0.000 1.024 53 V CB -0.812 30.977 31.823 -0.055 0.000 0.648 53 V HN 0.647 nan 8.190 nan 0.000 0.447 54 R N -0.787 119.749 120.500 0.059 0.000 2.120 54 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 54 R C 2.040 178.376 176.300 0.060 0.000 1.123 54 R CA 1.538 57.681 56.100 0.072 0.000 0.975 54 R CB -0.178 30.194 30.300 0.119 0.000 0.866 54 R HN 0.607 nan 8.270 nan 0.000 0.446 55 H N -1.561 117.508 119.070 -0.001 0.000 2.539 55 H HA 0.211 4.767 4.556 -0.000 0.000 0.267 55 H C 0.942 176.281 175.328 0.017 0.000 0.982 55 H CA 0.817 56.894 56.048 0.048 0.000 1.146 55 H CB 0.816 30.565 29.762 -0.022 0.000 1.382 55 H HN 0.512 nan 8.280 nan 0.000 0.577 56 G N 0.170 108.992 108.800 0.038 0.000 2.143 56 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.249 56 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.249 56 G C 1.070 175.953 174.900 -0.028 0.000 0.981 56 G CA 0.511 45.603 45.100 -0.013 0.000 0.665 56 G HN 0.435 nan 8.290 nan 0.000 0.528 57 L N -0.723 120.462 121.223 -0.063 0.000 2.240 57 L HA 0.116 4.456 4.340 -0.000 0.000 0.211 57 L C 2.737 179.575 176.870 -0.054 0.000 1.106 57 L CA 0.806 55.595 54.840 -0.085 0.000 0.793 57 L CB -0.314 41.613 42.059 -0.219 0.000 0.927 57 L HN 0.303 nan 8.230 nan 0.000 0.446 58 I N -0.190 120.344 120.570 -0.060 0.000 2.233 58 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 58 I C 2.478 178.629 176.117 0.057 0.000 1.093 58 I CA 1.347 62.657 61.300 0.017 0.000 1.380 58 I CB -0.456 37.564 38.000 0.034 0.000 1.067 58 I HN 0.060 nan 8.210 nan 0.000 0.413 59 K N 0.419 120.841 120.400 0.036 0.000 2.113 59 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 59 K C 2.046 178.651 176.600 0.009 0.000 1.047 59 K CA 1.585 57.891 56.287 0.031 0.000 0.928 59 K CB -0.300 32.203 32.500 0.005 0.000 0.716 59 K HN 0.358 nan 8.250 nan 0.000 0.446 60 A N 0.795 123.612 122.820 -0.006 0.000 2.172 60 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 60 A C 1.625 179.207 177.584 -0.004 0.000 1.154 60 A CA 0.995 53.022 52.037 -0.016 0.000 0.701 60 A CB -0.080 18.911 19.000 -0.015 0.000 0.789 60 A HN 0.233 nan 8.150 nan 0.000 0.465 61 Q N -0.536 119.270 119.800 0.009 0.000 2.451 61 Q HA 0.126 4.466 4.340 -0.000 0.000 0.206 61 Q C -0.073 175.919 176.000 -0.013 0.000 0.947 61 Q CA 0.431 56.236 55.803 0.004 0.000 0.937 61 Q CB -0.142 28.604 28.738 0.013 0.000 1.025 61 Q HN 0.393 nan 8.270 nan 0.000 0.511 62 V N 2.748 122.659 119.914 -0.005 0.000 2.459 62 V HA 0.304 4.424 4.120 -0.000 0.000 0.295 62 V C -2.293 173.790 176.094 -0.017 0.000 1.029 62 V CA -2.205 60.091 62.300 -0.008 0.000 0.874 62 V CB 1.715 33.551 31.823 0.021 0.000 0.985 62 V HN -0.035 nan 8.190 nan 0.000 0.438 63 P HA 0.239 nan 4.420 nan 0.000 0.269 63 P C 1.036 178.321 177.300 -0.025 0.000 1.215 63 P CA 0.031 63.113 63.100 -0.029 0.000 0.780 63 P CB 0.821 32.505 31.700 -0.026 0.000 0.898 64 I N 3.054 123.603 120.570 -0.035 0.000 2.226 64 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 64 I C -0.624 175.480 176.117 -0.021 0.000 1.100 64 I CA 1.741 63.021 61.300 -0.032 0.000 1.374 64 I CB -1.597 36.376 38.000 -0.045 0.000 1.057 64 I HN 0.448 nan 8.210 nan 0.000 0.413 65 P HA -0.121 nan 4.420 nan 0.000 0.223 65 P C 1.359 178.655 177.300 -0.006 0.000 1.144 65 P CA 1.305 64.397 63.100 -0.013 0.000 0.783 65 P CB -0.030 31.663 31.700 -0.013 0.000 0.771 66 L N -2.480 118.740 121.223 -0.004 0.000 2.628 66 L HA 0.328 4.668 4.340 -0.000 0.000 0.229 66 L C 1.394 178.273 176.870 0.014 0.000 1.137 66 L CA 0.506 55.351 54.840 0.007 0.000 0.909 66 L CB -0.674 41.390 42.059 0.008 0.000 1.137 66 L HN 0.116 nan 8.230 nan 0.000 0.470 67 G N -0.352 108.452 108.800 0.006 0.000 2.176 67 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 67 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 67 G C 0.500 175.405 174.900 0.009 0.000 0.986 67 G CA -0.167 44.938 45.100 0.009 0.000 0.643 67 G HN 0.496 nan 8.290 nan 0.000 0.522 68 G N -0.993 107.810 108.800 0.005 0.000 2.641 68 G HA2 0.649 4.609 3.960 -0.000 0.000 0.239 68 G HA3 0.649 4.609 3.960 -0.000 0.000 0.239 68 G C 0.912 175.798 174.900 -0.022 0.000 1.402 68 G CA 1.087 46.188 45.100 0.001 0.000 1.046 68 G HN 1.213 nan 8.290 nan 0.000 0.565 69 T N -2.763 111.771 114.554 -0.033 0.000 3.209 69 T HA 0.328 4.678 4.350 -0.000 0.000 0.295 69 T C 0.781 175.431 174.700 -0.083 0.000 0.977 69 T CA -0.234 61.831 62.100 -0.060 0.000 0.922 69 T CB -0.197 68.632 68.868 -0.064 0.000 1.152 69 T HN 0.352 nan 8.240 nan 0.000 0.527 70 M N 2.251 121.810 119.600 -0.068 0.000 2.260 70 M HA 0.150 4.630 4.480 -0.000 0.000 0.348 70 M C 0.830 177.044 176.300 -0.143 0.000 1.342 70 M CA 0.719 55.968 55.300 -0.085 0.000 1.040 70 M CB 0.627 33.195 32.600 -0.053 0.000 1.810 70 M HN 0.224 nan 8.290 nan 0.000 0.453 71 E N 1.799 121.847 120.200 -0.253 0.000 2.162 71 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 71 E C -0.025 176.400 176.600 -0.292 0.000 0.953 71 E CA 0.486 56.640 56.400 -0.409 0.000 0.849 71 E CB 0.525 29.681 29.700 -0.906 0.000 0.810 71 E HN 0.832 nan 8.360 nan 0.000 0.470 72 S N -1.105 114.493 115.700 -0.169 0.000 2.627 72 S HA 0.136 4.606 4.470 -0.000 0.000 0.268 72 S C -0.056 174.573 174.600 0.048 0.000 1.130 72 S CA -0.752 57.456 58.200 0.013 0.000 0.819 72 S CB 0.570 63.844 63.200 0.123 0.000 1.100 72 S HN -0.040 nan 8.310 nan 0.000 0.465 73 L N 1.523 122.757 121.223 0.018 0.000 2.201 73 L HA 0.142 4.482 4.340 -0.000 0.000 0.212 73 L C 2.557 179.408 176.870 -0.031 0.000 1.105 73 L CA 1.280 56.124 54.840 0.006 0.000 0.775 73 L CB -1.175 40.889 42.059 0.007 0.000 0.913 73 L HN 0.732 nan 8.230 nan 0.000 0.440 74 V N -1.197 118.655 119.914 -0.104 0.000 2.358 74 V HA -0.281 3.838 4.120 -0.000 0.000 0.246 74 V C 2.429 178.365 176.094 -0.264 0.000 1.047 74 V CA 1.379 63.474 62.300 -0.342 0.000 1.035 74 V CB -0.640 30.841 31.823 -0.570 0.000 0.658 74 V HN 0.433 nan 8.190 nan 0.000 0.452 75 H N 0.159 119.124 119.070 -0.175 0.000 2.265 75 H HA -0.219 4.337 4.556 -0.000 0.000 0.295 75 H C 2.296 177.602 175.328 -0.036 0.000 1.084 75 H CA 2.134 58.125 56.048 -0.095 0.000 1.261 75 H CB -0.251 29.473 29.762 -0.063 0.000 1.360 75 H HN 0.427 nan 8.280 nan 0.000 0.487 76 E N 0.503 120.772 120.200 0.115 0.000 2.065 76 E HA -0.210 4.140 4.350 -0.000 0.000 0.201 76 E C 2.328 178.986 176.600 0.097 0.000 1.016 76 E CA 1.945 58.397 56.400 0.087 0.000 0.818 76 E CB -0.331 29.403 29.700 0.057 0.000 0.749 76 E HN 0.317 nan 8.360 nan 0.000 0.453 77 S N -0.463 115.283 115.700 0.077 0.000 2.383 77 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 77 S C 1.981 176.708 174.600 0.212 0.000 1.030 77 S CA 1.312 59.601 58.200 0.149 0.000 1.002 77 S CB -0.326 62.991 63.200 0.194 0.000 0.829 77 S HN 0.298 nan 8.310 nan 0.000 0.467 78 I N 1.040 121.705 120.570 0.158 0.000 2.202 78 I HA -0.158 4.011 4.170 -0.000 0.000 0.242 78 I C 2.012 178.238 176.117 0.182 0.000 1.091 78 I CA 1.061 62.474 61.300 0.189 0.000 1.368 78 I CB -0.356 37.695 38.000 0.085 0.000 1.058 78 I HN 0.246 nan 8.210 nan 0.000 0.410 79 I N 0.599 121.266 120.570 0.162 0.000 2.127 79 I HA -0.339 3.831 4.170 -0.000 0.000 0.241 79 I C 2.473 178.720 176.117 0.217 0.000 1.075 79 I CA 1.644 63.050 61.300 0.177 0.000 1.334 79 I CB -0.442 37.654 38.000 0.159 0.000 1.040 79 I HN 0.196 nan 8.210 nan 0.000 0.405 80 L N 0.255 121.617 121.223 0.232 0.000 2.012 80 L HA -0.246 4.093 4.340 -0.000 0.000 0.210 80 L C 2.647 179.738 176.870 0.368 0.000 1.073 80 L CA 1.654 56.692 54.840 0.329 0.000 0.748 80 L CB -0.793 41.394 42.059 0.214 0.000 0.891 80 L HN 0.367 nan 8.230 nan 0.000 0.431 81 E N 0.339 120.690 120.200 0.251 0.000 2.049 81 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 81 E C 2.055 178.797 176.600 0.237 0.000 1.007 81 E CA 1.482 58.017 56.400 0.225 0.000 0.809 81 E CB 0.118 29.935 29.700 0.196 0.000 0.749 81 E HN 0.363 nan 8.360 nan 0.000 0.450 82 E N 0.263 120.589 120.200 0.211 0.000 2.110 82 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 82 E C 2.115 178.812 176.600 0.162 0.000 0.988 82 E CA 0.563 57.066 56.400 0.173 0.000 0.804 82 E CB -0.193 29.601 29.700 0.156 0.000 0.745 82 E HN 0.265 nan 8.360 nan 0.000 0.458 83 L N -0.414 120.925 121.223 0.194 0.000 2.044 83 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 83 L C 2.142 179.005 176.870 -0.011 0.000 1.075 83 L CA 1.401 56.301 54.840 0.100 0.000 0.747 83 L CB -0.893 41.226 42.059 0.099 0.000 0.903 83 L HN 0.053 nan 8.230 nan 0.000 0.435 84 F N -0.674 119.356 119.950 0.134 0.000 2.502 84 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 84 F C 2.303 178.171 175.800 0.112 0.000 1.111 84 F CA 0.730 58.814 58.000 0.140 0.000 1.445 84 F CB -0.784 38.307 39.000 0.151 0.000 1.081 84 F HN 0.056 nan 8.300 nan 0.000 0.558 85 A N -0.729 122.222 122.820 0.218 0.000 2.119 85 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 85 A C 2.044 179.671 177.584 0.071 0.000 1.153 85 A CA 1.487 53.609 52.037 0.141 0.000 0.692 85 A CB -0.564 18.514 19.000 0.130 0.000 0.799 85 A HN 0.205 nan 8.150 nan 0.000 0.458 86 V N -1.390 118.549 119.914 0.042 0.000 2.840 86 V HA 0.208 4.328 4.120 -0.000 0.000 0.234 86 V C 0.263 176.337 176.094 -0.032 0.000 1.159 86 V CA 1.081 63.377 62.300 -0.007 0.000 1.194 86 V CB 0.412 32.223 31.823 -0.020 0.000 0.971 86 V HN 0.536 nan 8.190 nan 0.000 0.494 87 E N -0.361 119.802 120.200 -0.062 0.000 2.454 87 E HA 0.302 4.652 4.350 -0.000 0.000 0.315 87 E C -2.624 173.867 176.600 -0.182 0.000 0.907 87 E CA -1.276 55.077 56.400 -0.080 0.000 0.797 87 E CB 1.963 31.618 29.700 -0.075 0.000 1.396 87 E HN 0.053 nan 8.360 nan 0.000 0.389 88 P HA 0.064 nan 4.420 nan 0.000 0.226 88 P C -0.077 177.184 177.300 -0.065 0.000 1.153 88 P CA 0.688 63.655 63.100 -0.221 0.000 0.777 88 P CB 0.205 32.063 31.700 0.264 0.000 0.794 89 A N -0.508 122.284 122.820 -0.047 0.000 2.511 89 A HA 0.249 4.569 4.320 -0.000 0.000 0.242 89 A C 1.354 178.973 177.584 0.059 0.000 1.069 89 A CA 1.217 53.237 52.037 -0.028 0.000 0.763 89 A CB -0.948 17.962 19.000 -0.149 0.000 1.001 89 A HN 0.214 nan 8.150 nan 0.000 0.498 90 T N 1.508 116.178 114.554 0.194 0.000 12.481 90 T HA -0.308 4.042 4.350 -0.000 0.000 0.418 90 T C 1.914 176.795 174.700 0.303 0.000 1.450 90 T CA 2.362 64.667 62.100 0.341 0.000 2.393 90 T CB -1.875 67.230 68.868 0.395 0.000 2.837 90 T HN 0.966 nan 8.240 nan 0.000 0.792 91 S N 0.836 116.603 115.700 0.112 0.000 2.372 91 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 91 S C 1.755 176.496 174.600 0.235 0.000 1.044 91 S CA 1.865 60.060 58.200 -0.008 0.000 1.050 91 S CB -0.458 62.340 63.200 -0.669 0.000 0.901 91 S HN 0.540 nan 8.310 nan 0.000 0.447 92 I N 1.980 122.721 120.570 0.285 0.000 2.208 92 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 92 I C 2.157 178.475 176.117 0.336 0.000 1.097 92 I CA 1.642 63.208 61.300 0.443 0.000 1.363 92 I CB -0.871 37.353 38.000 0.373 0.000 1.051 92 I HN 0.244 nan 8.210 nan 0.000 0.413 93 T N 0.733 115.492 114.554 0.342 0.000 2.777 93 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 93 T C 2.005 176.972 174.700 0.444 0.000 1.040 93 T CA 1.897 64.204 62.100 0.345 0.000 1.141 93 T CB -0.404 68.701 68.868 0.394 0.000 0.868 93 T HN 0.328 nan 8.240 nan 0.000 0.444 94 I N 1.818 122.681 120.570 0.489 0.000 2.127 94 I HA -0.189 3.981 4.170 -0.000 0.000 0.241 94 I C 2.741 179.012 176.117 0.257 0.000 1.075 94 I CA 1.283 62.807 61.300 0.374 0.000 1.334 94 I CB -0.680 37.460 38.000 0.234 0.000 1.040 94 I HN 0.181 nan 8.210 nan 0.000 0.405 95 V N -0.703 119.367 119.914 0.259 0.000 2.515 95 V HA -0.108 4.012 4.120 -0.000 0.000 0.250 95 V C 2.525 178.673 176.094 0.090 0.000 1.058 95 V CA 1.504 63.908 62.300 0.173 0.000 1.064 95 V CB -1.169 30.775 31.823 0.202 0.000 0.675 95 V HN 0.322 nan 8.190 nan 0.000 0.461 96 A N 0.581 123.470 122.820 0.114 0.000 1.898 96 A HA -0.120 4.199 4.320 -0.000 0.000 0.216 96 A C 2.348 179.936 177.584 0.007 0.000 1.181 96 A CA 2.438 54.497 52.037 0.037 0.000 0.620 96 A CB -1.309 17.719 19.000 0.047 0.000 0.819 96 A HN 0.538 nan 8.150 nan 0.000 0.442 97 T N 0.389 114.990 114.554 0.078 0.000 2.652 97 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 97 T C 2.249 176.909 174.700 -0.066 0.000 1.039 97 T CA 1.947 64.077 62.100 0.051 0.000 1.153 97 T CB -0.582 68.437 68.868 0.251 0.000 0.863 97 T HN 0.634 nan 8.240 nan 0.000 0.428 98 A N 1.415 124.223 122.820 -0.019 0.000 1.903 98 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 98 A C 2.329 179.834 177.584 -0.133 0.000 1.191 98 A CA 1.604 53.600 52.037 -0.067 0.000 0.638 98 A CB -1.057 17.933 19.000 -0.018 0.000 0.823 98 A HN 0.489 nan 8.150 nan 0.000 0.451 99 L N -0.812 120.323 121.223 -0.147 0.000 2.017 99 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 99 L C 2.614 179.333 176.870 -0.252 0.000 1.073 99 L CA 1.915 56.612 54.840 -0.238 0.000 0.745 99 L CB -1.048 40.842 42.059 -0.281 0.000 0.894 99 L HN 0.495 nan 8.230 nan 0.000 0.432 100 G N -0.243 108.437 108.800 -0.201 0.000 2.450 100 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 100 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 100 G C 1.563 176.325 174.900 -0.229 0.000 1.130 100 G CA 0.587 45.573 45.100 -0.191 0.000 0.760 100 G HN 0.383 nan 8.290 nan 0.000 0.557 101 L N -0.609 120.454 121.223 -0.267 0.000 2.270 101 L HA 0.160 4.499 4.340 -0.000 0.000 0.210 101 L C 2.915 179.668 176.870 -0.195 0.000 1.104 101 L CA 0.187 54.860 54.840 -0.279 0.000 0.804 101 L CB -0.281 41.579 42.059 -0.332 0.000 0.937 101 L HN 0.201 nan 8.230 nan 0.000 0.450 102 M N 0.178 119.664 119.600 -0.189 0.000 2.082 102 M HA -0.174 4.306 4.480 -0.000 0.000 0.258 102 M C -0.399 175.810 176.300 -0.152 0.000 1.069 102 M CA 2.375 57.577 55.300 -0.163 0.000 1.102 102 M CB -1.009 31.482 32.600 -0.181 0.000 1.336 102 M HN 0.068 nan 8.290 nan 0.000 0.404 103 P HA -0.112 nan 4.420 nan 0.000 0.218 103 P C 1.473 178.695 177.300 -0.130 0.000 1.148 103 P CA 1.148 64.161 63.100 -0.146 0.000 0.822 103 P CB -0.063 31.547 31.700 -0.150 0.000 0.784 104 V N -0.429 119.406 119.914 -0.131 0.000 2.323 104 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 104 V C 2.346 178.402 176.094 -0.064 0.000 1.041 104 V CA 1.429 63.672 62.300 -0.096 0.000 1.025 104 V CB -1.008 30.766 31.823 -0.081 0.000 0.656 104 V HN 0.039 nan 8.190 nan 0.000 0.451 105 I N -0.242 120.285 120.570 -0.073 0.000 2.248 105 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 105 I C 2.144 178.225 176.117 -0.059 0.000 1.107 105 I CA 1.755 63.020 61.300 -0.058 0.000 1.373 105 I CB -0.232 37.727 38.000 -0.068 0.000 1.055 105 I HN 0.277 nan 8.210 nan 0.000 0.418 106 L N 0.264 121.440 121.223 -0.079 0.000 2.446 106 L HA 0.008 4.348 4.340 -0.000 0.000 0.219 106 L C 1.525 178.345 176.870 -0.084 0.000 1.116 106 L CA -0.346 54.443 54.840 -0.085 0.000 0.844 106 L CB -0.346 41.647 42.059 -0.110 0.000 0.970 106 L HN 0.464 nan 8.230 nan 0.000 0.457 107 C N -0.174 119.080 119.300 -0.077 0.000 2.657 107 C HA 0.238 4.698 4.460 -0.000 0.000 0.404 107 C C 0.459 175.420 174.990 -0.049 0.000 1.291 107 C CA -0.962 58.014 59.018 -0.070 0.000 2.218 107 C CB 0.034 27.731 27.740 -0.071 0.000 2.687 107 C HN 0.459 nan 8.230 nan 0.000 0.634 108 D N 1.605 121.980 120.400 -0.043 0.000 3.133 108 D HA 0.293 4.933 4.640 -0.000 0.000 0.288 108 D C -0.117 176.175 176.300 -0.014 0.000 1.346 108 D CA 0.194 54.178 54.000 -0.027 0.000 0.934 108 D CB 0.066 40.850 40.800 -0.026 0.000 1.042 108 D HN 0.584 nan 8.370 nan 0.000 0.506 109 S N 0.833 116.529 115.700 -0.007 0.000 2.622 109 S HA 0.351 4.821 4.470 -0.000 0.000 0.283 109 S C -1.796 172.818 174.600 0.023 0.000 1.197 109 S CA -1.571 56.634 58.200 0.008 0.000 1.146 109 S CB 1.083 64.288 63.200 0.008 0.000 1.007 109 S HN -0.137 nan 8.310 nan 0.000 0.478 110 P HA -0.164 nan 4.420 nan 0.000 0.216 110 P C 1.776 179.097 177.300 0.035 0.000 1.153 110 P CA 1.476 64.591 63.100 0.023 0.000 0.858 110 P CB 0.041 31.751 31.700 0.015 0.000 0.789 111 S N -1.470 114.252 115.700 0.037 0.000 2.399 111 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 111 S C 1.884 176.529 174.600 0.075 0.000 1.022 111 S CA 0.991 59.216 58.200 0.042 0.000 0.983 111 S CB -1.386 61.836 63.200 0.037 0.000 0.803 111 S HN -0.068 nan 8.310 nan 0.000 0.480 112 L N 1.785 123.077 121.223 0.115 0.000 2.044 112 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 112 L C 2.891 179.918 176.870 0.261 0.000 1.075 112 L CA 1.731 56.717 54.840 0.243 0.000 0.747 112 L CB -1.069 41.094 42.059 0.173 0.000 0.903 112 L HN 0.391 nan 8.230 nan 0.000 0.435 113 Q N -0.934 118.949 119.800 0.138 0.000 2.061 113 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 113 Q C 2.116 178.180 176.000 0.107 0.000 0.984 113 Q CA 1.924 57.795 55.803 0.113 0.000 0.846 113 Q CB -0.260 28.512 28.738 0.057 0.000 0.902 113 Q HN 0.571 nan 8.270 nan 0.000 0.421 114 E N 1.214 121.456 120.200 0.069 0.000 2.051 114 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 114 E C 2.040 178.649 176.600 0.014 0.000 0.991 114 E CA 1.195 57.618 56.400 0.038 0.000 0.799 114 E CB 0.049 29.759 29.700 0.017 0.000 0.748 114 E HN 0.162 nan 8.360 nan 0.000 0.449 115 K N -0.669 119.713 120.400 -0.030 0.000 2.062 115 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 115 K C 1.759 178.219 176.600 -0.234 0.000 1.051 115 K CA 1.276 57.445 56.287 -0.196 0.000 0.941 115 K CB -0.085 32.198 32.500 -0.362 0.000 0.719 115 K HN 0.120 nan 8.250 nan 0.000 0.440 116 F N 0.771 120.766 119.950 0.074 0.000 2.530 116 F HA 0.124 4.651 4.527 -0.000 0.000 0.292 116 F C 1.763 177.687 175.800 0.205 0.000 1.109 116 F CA 0.330 58.401 58.000 0.118 0.000 1.450 116 F CB 0.125 39.173 39.000 0.080 0.000 1.114 116 F HN -0.088 nan 8.300 nan 0.000 0.560 117 L N -0.225 121.187 121.223 0.315 0.000 2.418 117 L HA -0.076 4.264 4.340 -0.000 0.000 0.218 117 L C 2.379 179.439 176.870 0.318 0.000 1.125 117 L CA 0.576 55.608 54.840 0.320 0.000 0.835 117 L CB -0.493 41.668 42.059 0.171 0.000 0.953 117 L HN 0.088 nan 8.230 nan 0.000 0.454 118 K N 1.180 121.689 120.400 0.183 0.000 2.034 118 K HA -0.205 4.115 4.320 -0.000 0.000 0.214 118 K C -0.491 176.137 176.600 0.048 0.000 1.051 118 K CA 1.897 58.236 56.287 0.087 0.000 0.931 118 K CB -0.794 31.721 32.500 0.024 0.000 0.715 118 K HN 0.204 nan 8.250 nan 0.000 0.446 119 P HA -0.115 nan 4.420 nan 0.000 0.220 119 P C 0.666 177.821 177.300 -0.241 0.000 1.148 119 P CA 1.207 64.180 63.100 -0.211 0.000 0.803 119 P CB -0.035 31.407 31.700 -0.430 0.000 0.782 120 F N -0.739 119.256 119.950 0.076 0.000 2.664 120 F HA 0.130 4.657 4.527 -0.000 0.000 0.296 120 F C 1.968 177.795 175.800 0.044 0.000 1.125 120 F CA 0.500 58.546 58.000 0.076 0.000 1.444 120 F CB -0.674 38.377 39.000 0.084 0.000 1.114 120 F HN -0.100 nan 8.300 nan 0.000 0.576 121 I N -2.953 117.717 120.570 0.167 0.000 4.018 121 I HA 0.165 4.335 4.170 -0.000 0.000 0.337 121 I C 1.931 178.073 176.117 0.043 0.000 1.327 121 I CA 0.516 61.872 61.300 0.093 0.000 1.100 121 I CB -0.368 37.680 38.000 0.080 0.000 1.025 121 I HN 0.014 nan 8.210 nan 0.000 0.396 122 S N 1.396 117.111 115.700 0.025 0.000 2.428 122 S HA 0.097 4.567 4.470 -0.000 0.000 0.230 122 S C 1.916 176.515 174.600 -0.000 0.000 1.014 122 S CA 0.835 59.036 58.200 0.002 0.000 0.957 122 S CB -0.662 62.528 63.200 -0.016 0.000 0.784 122 S HN 0.864 nan 8.310 nan 0.000 0.499 123 G N 0.582 109.385 108.800 0.005 0.000 2.155 123 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.257 123 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.257 123 G C -0.220 174.680 174.900 -0.001 0.000 0.983 123 G CA 0.481 45.581 45.100 0.000 0.000 0.676 123 G HN 0.647 nan 8.290 nan 0.000 0.528 124 E N -0.600 119.598 120.200 -0.004 0.000 2.244 124 E HA 0.581 4.931 4.350 -0.000 0.000 0.266 124 E C 0.872 177.476 176.600 0.006 0.000 0.914 124 E CA -0.305 56.093 56.400 -0.004 0.000 0.794 124 E CB 1.675 31.367 29.700 -0.013 0.000 1.210 124 E HN 1.328 nan 8.360 nan 0.000 0.414 125 G N 1.709 110.518 108.800 0.016 0.000 2.645 125 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 125 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 125 G C -0.485 174.485 174.900 0.116 0.000 1.322 125 G CA -0.224 44.900 45.100 0.040 0.000 0.898 125 G HN 0.535 nan 8.290 nan 0.000 0.573 126 E N 1.290 121.615 120.200 0.208 0.000 4.052 126 E HA 0.372 4.722 4.350 -0.000 0.000 0.219 126 E C -2.351 174.624 176.600 0.625 0.000 1.166 126 E CA -1.125 55.580 56.400 0.509 0.000 1.338 126 E CB 1.418 31.345 29.700 0.378 0.000 1.212 126 E HN 0.522 nan 8.360 nan 0.000 0.432 127 P HA 0.116 nan 4.420 nan 0.000 0.275 127 P C -0.471 177.104 177.300 0.458 0.000 1.227 127 P CA -0.134 63.065 63.100 0.164 0.000 0.781 127 P CB 1.257 32.673 31.700 -0.473 0.000 0.906 128 L N 1.926 123.370 121.223 0.368 0.000 2.346 128 L HA 0.767 5.106 4.340 -0.000 0.000 0.274 128 L C 0.366 177.506 176.870 0.450 0.000 1.007 128 L CA -0.870 54.164 54.840 0.322 0.000 0.818 128 L CB 1.998 44.008 42.059 -0.082 0.000 1.284 128 L HN 0.404 nan 8.230 nan 0.000 0.424 129 A N 1.579 124.553 122.820 0.256 0.000 2.386 129 A HA 0.877 5.197 4.320 -0.000 0.000 0.308 129 A C -0.841 176.740 177.584 -0.004 0.000 1.128 129 A CA -0.548 51.523 52.037 0.056 0.000 0.789 129 A CB 2.061 20.895 19.000 -0.276 0.000 1.325 129 A HN 0.510 nan 8.150 nan 0.000 0.437 130 S N -0.052 115.632 115.700 -0.026 0.000 2.566 130 S HA 0.472 4.942 4.470 -0.000 0.000 0.273 130 S C -1.880 172.689 174.600 -0.051 0.000 1.157 130 S CA -0.463 57.717 58.200 -0.034 0.000 0.938 130 S CB 1.118 64.316 63.200 -0.003 0.000 1.087 130 S HN 1.412 nan 8.310 nan 0.000 0.474 131 L N 6.225 127.401 121.223 -0.078 0.000 2.270 131 L HA 0.586 4.926 4.340 -0.000 0.000 0.286 131 L C -0.568 176.316 176.870 0.024 0.000 1.059 131 L CA 0.060 54.854 54.840 -0.076 0.000 0.839 131 L CB 0.113 42.048 42.059 -0.206 0.000 1.221 131 L HN 0.789 nan 8.230 nan 0.000 0.431 132 M N 5.415 125.042 119.600 0.045 0.000 2.664 132 M HA 0.170 4.650 4.480 -0.000 0.000 0.332 132 M C 0.639 176.996 176.300 0.094 0.000 1.354 132 M CA 0.008 55.354 55.300 0.076 0.000 1.399 132 M CB 0.184 32.834 32.600 0.084 0.000 1.224 132 M HN 0.663 nan 8.290 nan 0.000 0.479 133 H N 0.275 119.350 119.070 0.008 0.000 2.393 133 H HA 0.254 4.810 4.556 -0.000 0.000 0.301 133 H C 0.238 175.490 175.328 -0.127 0.000 1.019 133 H CA 0.195 56.187 56.048 -0.093 0.000 1.311 133 H CB 0.787 30.478 29.762 -0.119 0.000 1.475 133 H HN 0.444 nan 8.280 nan 0.000 0.572 134 S N 1.453 117.120 115.700 -0.054 0.000 2.568 134 S HA 0.091 4.561 4.470 -0.000 0.000 0.282 134 S C -0.150 174.429 174.600 -0.035 0.000 1.338 134 S CA 0.073 58.241 58.200 -0.052 0.000 1.045 134 S CB 0.998 64.293 63.200 0.158 0.000 0.873 134 S HN 0.374 nan 8.310 nan 0.000 0.516 135 E N 1.444 121.625 120.200 -0.032 0.000 2.369 135 E HA 0.251 4.601 4.350 -0.000 0.000 0.270 135 E C -2.085 174.488 176.600 -0.045 0.000 0.909 135 E CA -2.217 54.147 56.400 -0.060 0.000 0.775 135 E CB 1.224 30.874 29.700 -0.082 0.000 1.270 135 E HN 0.181 nan 8.360 nan 0.000 0.445 136 P HA -0.162 nan 4.420 nan 0.000 0.216 136 P C 0.446 177.718 177.300 -0.046 0.000 1.150 136 P CA 1.473 64.463 63.100 -0.184 0.000 0.843 136 P CB 0.137 31.678 31.700 -0.266 0.000 0.787 137 N N -1.222 117.462 118.700 -0.026 0.000 2.467 137 N HA 0.161 4.901 4.740 -0.000 0.000 0.184 137 N C 0.621 176.140 175.510 0.015 0.000 1.106 137 N CA 0.335 53.385 53.050 -0.001 0.000 0.892 137 N CB 0.085 38.572 38.487 0.001 0.000 0.969 137 N HN 0.144 nan 8.380 nan 0.000 0.454 138 G N -0.050 108.762 108.800 0.020 0.000 2.619 138 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 138 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 138 G C 0.195 175.084 174.900 -0.018 0.000 1.256 138 G CA -0.186 44.923 45.100 0.015 0.000 0.826 138 G HN 0.140 nan 8.290 nan 0.000 0.619 139 T N -2.670 111.862 114.554 -0.037 0.000 3.080 139 T HA 0.577 4.927 4.350 -0.000 0.000 0.280 139 T C 2.277 177.023 174.700 0.077 0.000 0.926 139 T CA 1.413 63.477 62.100 -0.059 0.000 0.883 139 T CB 0.521 69.214 68.868 -0.293 0.000 1.194 139 T HN 2.085 nan 8.240 nan 0.000 0.541 140 A N 2.859 125.712 122.820 0.055 0.000 1.986 140 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 140 A C 1.695 179.378 177.584 0.165 0.000 1.171 140 A CA 1.810 53.901 52.037 0.090 0.000 0.640 140 A CB -0.816 18.204 19.000 0.033 0.000 0.811 140 A HN 0.660 nan 8.150 nan 0.000 0.451 141 N N -0.682 118.112 118.700 0.156 0.000 2.234 141 N HA 0.073 4.813 4.740 -0.000 0.000 0.227 141 N C 1.012 176.613 175.510 0.153 0.000 1.151 141 N CA 0.185 53.306 53.050 0.119 0.000 0.865 141 N CB 0.159 38.683 38.487 0.061 0.000 1.066 141 N HN 0.831 nan 8.380 nan 0.000 0.515 142 W N 0.378 121.667 121.300 -0.019 0.000 2.364 142 W HA -0.036 4.624 4.660 -0.000 0.000 0.281 142 W C 0.037 176.555 176.519 -0.002 0.000 1.219 142 W CA 0.519 57.855 57.345 -0.016 0.000 1.220 142 W CB -0.663 28.789 29.460 -0.014 0.000 1.127 142 W HN 0.097 nan 8.180 nan 0.000 0.556 143 L N 1.125 122.061 121.223 -0.479 0.000 2.769 143 L HA 0.203 4.543 4.340 -0.000 0.000 0.240 143 L C 1.297 178.022 176.870 -0.242 0.000 1.163 143 L CA -0.078 54.441 54.840 -0.535 0.000 0.962 143 L CB -0.401 41.200 42.059 -0.763 0.000 1.258 143 L HN -0.130 nan 8.230 nan 0.000 0.513 144 Q N 2.703 122.427 119.800 -0.127 0.000 2.262 144 Q HA 0.004 4.344 4.340 -0.000 0.000 0.272 144 Q C -0.015 175.944 176.000 -0.069 0.000 1.076 144 Q CA 0.152 55.911 55.803 -0.074 0.000 0.905 144 Q CB 0.707 29.427 28.738 -0.031 0.000 1.182 144 Q HN 0.118 nan 8.270 nan 0.000 0.390 145 K N 2.689 123.048 120.400 -0.068 0.000 2.447 145 K HA 0.083 4.403 4.320 -0.000 0.000 0.281 145 K C 0.649 177.228 176.600 -0.035 0.000 1.031 145 K CA 1.121 57.376 56.287 -0.053 0.000 1.019 145 K CB 0.033 32.502 32.500 -0.051 0.000 0.918 145 K HN 0.900 nan 8.250 nan 0.000 0.476 146 G N 2.487 111.271 108.800 -0.027 0.000 2.195 146 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.246 146 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.246 146 G C 0.381 175.273 174.900 -0.012 0.000 0.984 146 G CA -0.121 44.968 45.100 -0.017 0.000 0.633 146 G HN 0.937 nan 8.290 nan 0.000 0.525 147 G N 0.115 108.907 108.800 -0.014 0.000 2.547 147 G HA2 0.604 4.564 3.960 -0.000 0.000 0.291 147 G HA3 0.604 4.564 3.960 -0.000 0.000 0.291 147 G C -0.460 174.442 174.900 0.003 0.000 1.211 147 G CA -0.210 44.888 45.100 -0.003 0.000 0.950 147 G HN 0.086 nan 8.290 nan 0.000 0.504 148 P HA 0.075 nan 4.420 nan 0.000 0.226 148 P C 1.363 178.679 177.300 0.027 0.000 1.153 148 P CA 1.158 64.269 63.100 0.018 0.000 0.777 148 P CB -0.104 31.608 31.700 0.020 0.000 0.794 149 G N 0.223 109.044 108.800 0.035 0.000 2.682 149 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.256 149 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.256 149 G C -0.365 174.584 174.900 0.082 0.000 1.333 149 G CA -0.482 44.655 45.100 0.062 0.000 0.904 149 G HN 0.291 nan 8.290 nan 0.000 0.569 150 L N 0.406 121.699 121.223 0.116 0.000 2.499 150 L HA 0.089 4.429 4.340 -0.000 0.000 0.281 150 L C 1.624 178.520 176.870 0.044 0.000 1.234 150 L CA 0.165 55.053 54.840 0.080 0.000 0.839 150 L CB 0.521 42.638 42.059 0.097 0.000 1.104 150 L HN 0.598 nan 8.230 nan 0.000 0.500 151 Q N 0.276 120.088 119.800 0.019 0.000 2.247 151 Q HA 0.128 4.468 4.340 -0.000 0.000 0.211 151 Q C -0.075 175.943 176.000 0.029 0.000 0.861 151 Q CA 0.198 56.015 55.803 0.025 0.000 0.949 151 Q CB 0.601 29.351 28.738 0.020 0.000 1.115 151 Q HN 0.615 nan 8.270 nan 0.000 0.507 152 T N 2.457 117.022 114.554 0.018 0.000 2.728 152 T HA 0.317 4.667 4.350 -0.000 0.000 0.296 152 T C 0.333 175.040 174.700 0.012 0.000 0.940 152 T CA -0.159 61.950 62.100 0.016 0.000 1.013 152 T CB 0.905 69.766 68.868 -0.012 0.000 0.912 152 T HN 0.192 nan 8.240 nan 0.000 0.484 153 T N 0.193 114.764 114.554 0.027 0.000 2.940 153 T HA 0.843 5.193 4.350 -0.000 0.000 0.288 153 T C -0.525 174.208 174.700 0.055 0.000 1.033 153 T CA -1.060 61.066 62.100 0.044 0.000 1.033 153 T CB 1.877 70.778 68.868 0.055 0.000 1.079 153 T HN 0.644 nan 8.240 nan 0.000 0.496 154 A N 2.022 124.905 122.820 0.104 0.000 2.414 154 A HA 0.874 5.194 4.320 -0.000 0.000 0.306 154 A C -0.327 177.436 177.584 0.298 0.000 1.054 154 A CA -1.288 50.870 52.037 0.201 0.000 0.724 154 A CB 1.381 20.504 19.000 0.205 0.000 1.267 154 A HN 1.164 nan 8.150 nan 0.000 0.418 155 R N 1.255 121.910 120.500 0.257 0.000 2.673 155 R HA 0.628 4.968 4.340 -0.000 0.000 0.281 155 R C -0.995 175.188 176.300 -0.195 0.000 0.991 155 R CA -0.823 55.327 56.100 0.084 0.000 0.896 155 R CB 1.736 32.040 30.300 0.006 0.000 1.201 155 R HN 0.554 nan 8.270 nan 0.000 0.457 156 K N 2.151 122.155 120.400 -0.661 0.000 2.297 156 K HA 0.262 4.582 4.320 -0.000 0.000 0.286 156 K C -1.098 175.224 176.600 -0.462 0.000 1.053 156 K CA -0.489 55.195 56.287 -1.006 0.000 0.940 156 K CB 1.243 32.927 32.500 -1.359 0.000 1.019 156 K HN 0.450 nan 8.250 nan 0.000 0.475 157 V N 5.218 124.924 119.914 -0.346 0.000 2.340 157 V HA 0.344 4.464 4.120 -0.000 0.000 0.277 157 V C 0.710 176.719 176.094 -0.140 0.000 1.017 157 V CA 0.130 62.325 62.300 -0.175 0.000 0.820 157 V CB 0.300 32.078 31.823 -0.076 0.000 1.028 157 V HN 1.204 nan 8.190 nan 0.000 0.436 158 G N 5.419 114.130 108.800 -0.148 0.000 2.561 158 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.289 158 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.289 158 G C 0.625 175.434 174.900 -0.152 0.000 1.169 158 G CA 0.562 45.592 45.100 -0.117 0.000 0.980 158 G HN 1.004 nan 8.290 nan 0.000 0.550 159 N N 2.156 120.805 118.700 -0.084 0.000 2.313 159 N HA 0.196 4.936 4.740 -0.000 0.000 0.207 159 N C 0.325 175.861 175.510 0.044 0.000 1.141 159 N CA 1.001 54.019 53.050 -0.053 0.000 0.830 159 N CB 0.507 38.992 38.487 -0.005 0.000 1.008 159 N HN 0.812 nan 8.380 nan 0.000 0.481 160 E N -0.597 119.597 120.200 -0.010 0.000 2.336 160 E HA 0.382 4.731 4.350 -0.000 0.000 0.267 160 E C -1.300 175.266 176.600 -0.056 0.000 0.906 160 E CA -0.789 55.668 56.400 0.095 0.000 0.781 160 E CB 1.355 31.151 29.700 0.160 0.000 1.261 160 E HN 0.092 nan 8.360 nan 0.000 0.436 161 W N 0.640 121.974 121.300 0.056 0.000 2.627 161 W HA 0.524 5.184 4.660 -0.000 0.000 0.339 161 W C -0.830 175.642 176.519 -0.078 0.000 1.058 161 W CA -0.516 56.834 57.345 0.007 0.000 1.223 161 W CB 1.404 30.880 29.460 0.027 0.000 1.389 161 W HN 0.112 nan 8.180 nan 0.000 0.541 162 V N 4.644 124.619 119.914 0.101 0.000 2.443 162 V HA 0.382 4.502 4.120 -0.000 0.000 0.293 162 V C -0.243 175.884 176.094 0.054 0.000 1.021 162 V CA -0.958 61.289 62.300 -0.088 0.000 0.848 162 V CB 0.975 32.637 31.823 -0.269 0.000 0.998 162 V HN 0.357 nan 8.190 nan 0.000 0.424 163 I N 3.601 124.233 120.570 0.103 0.000 2.353 163 I HA 0.456 4.626 4.170 -0.000 0.000 0.293 163 I C 0.214 176.411 176.117 0.133 0.000 0.992 163 I CA 0.192 61.531 61.300 0.065 0.000 1.268 163 I CB 1.617 39.538 38.000 -0.132 0.000 1.387 163 I HN 0.504 nan 8.210 nan 0.000 0.478 164 S N 4.017 119.775 115.700 0.096 0.000 2.659 164 S HA 0.866 5.336 4.470 -0.000 0.000 0.312 164 S C 0.059 174.727 174.600 0.114 0.000 1.114 164 S CA -0.582 57.693 58.200 0.124 0.000 1.063 164 S CB 1.769 65.020 63.200 0.085 0.000 0.996 164 S HN 1.059 nan 8.310 nan 0.000 0.478 165 G N 2.557 111.456 108.800 0.166 0.000 2.350 165 G HA2 0.324 4.283 3.960 -0.000 0.000 0.282 165 G HA3 0.324 4.283 3.960 -0.000 0.000 0.282 165 G C -2.233 172.776 174.900 0.181 0.000 1.314 165 G CA -0.815 44.366 45.100 0.135 0.000 0.915 165 G HN 0.513 nan 8.290 nan 0.000 0.499 166 E N -0.027 120.250 120.200 0.128 0.000 2.272 166 E HA 0.544 4.893 4.350 -0.000 0.000 0.269 166 E C -0.895 175.748 176.600 0.073 0.000 0.877 166 E CA -0.985 55.475 56.400 0.100 0.000 0.755 166 E CB 2.209 31.981 29.700 0.119 0.000 1.192 166 E HN 0.247 nan 8.360 nan 0.000 0.422 167 K N 1.995 122.428 120.400 0.056 0.000 2.208 167 K HA 0.601 4.921 4.320 -0.000 0.000 0.247 167 K C -0.870 175.667 176.600 -0.104 0.000 0.953 167 K CA -0.760 55.527 56.287 -0.001 0.000 0.837 167 K CB 1.720 34.258 32.500 0.064 0.000 1.131 167 K HN 0.461 nan 8.250 nan 0.000 0.431 168 L N 1.730 122.855 121.223 -0.163 0.000 2.455 168 L HA 0.335 4.675 4.340 -0.000 0.000 0.264 168 L C -0.814 175.937 176.870 -0.199 0.000 0.968 168 L CA -0.194 54.406 54.840 -0.400 0.000 0.827 168 L CB 1.169 42.803 42.059 -0.709 0.000 1.317 168 L HN 0.900 nan 8.230 nan 0.000 0.407 169 W N 0.727 121.972 121.300 -0.091 0.000 0.780 169 W HA -0.187 4.473 4.660 -0.000 0.000 0.224 169 W C -1.908 174.584 176.519 -0.045 0.000 0.943 169 W CA -0.391 56.919 57.345 -0.058 0.000 0.351 169 W CB -1.943 27.492 29.460 -0.041 0.000 1.941 169 W HN 0.328 nan 8.180 nan 0.000 1.132 170 P HA 0.253 nan 4.420 nan 0.000 0.271 170 P C 0.178 177.492 177.300 0.023 0.000 1.233 170 P CA 0.709 63.864 63.100 0.091 0.000 0.764 170 P CB 0.885 32.623 31.700 0.064 0.000 0.825 171 S N 3.343 119.050 115.700 0.013 0.000 2.560 171 S HA 0.061 4.531 4.470 -0.000 0.000 0.284 171 S C 0.922 175.455 174.600 -0.112 0.000 1.327 171 S CA -0.254 57.908 58.200 -0.063 0.000 1.055 171 S CB -0.265 62.918 63.200 -0.028 0.000 0.868 171 S HN 0.511 nan 8.310 nan 0.000 0.506 172 N N 0.000 118.555 118.700 -0.241 0.000 2.955 172 N HA -0.238 4.502 4.740 -0.000 0.000 0.230 172 N C 1.311 176.751 175.510 -0.117 0.000 0.891 172 N CA 1.494 54.398 53.050 -0.244 0.000 1.002 172 N CB -2.095 36.302 38.487 -0.149 0.000 1.063 172 N HN 0.813 nan 8.380 nan 0.000 0.601 173 S N -0.839 114.820 115.700 -0.068 0.000 2.387 173 S HA -0.105 4.365 4.470 -0.000 0.000 0.230 173 S C 1.892 176.537 174.600 0.076 0.000 1.035 173 S CA 1.555 59.762 58.200 0.011 0.000 1.014 173 S CB -0.756 62.448 63.200 0.006 0.000 0.836 173 S HN 0.591 nan 8.310 nan 0.000 0.466 174 G N 0.393 109.235 108.800 0.070 0.000 3.042 174 G HA2 0.486 4.446 3.960 -0.000 0.000 0.212 174 G HA3 0.486 4.446 3.960 -0.000 0.000 0.212 174 G C 0.900 175.949 174.900 0.247 0.000 1.166 174 G CA 0.143 45.365 45.100 0.204 0.000 0.767 174 G HN 1.181 nan 8.290 nan 0.000 0.546 175 G N -0.651 108.215 108.800 0.110 0.000 2.645 175 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.246 175 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.246 175 G C 0.658 175.637 174.900 0.132 0.000 1.322 175 G CA 0.166 45.282 45.100 0.028 0.000 0.898 175 G HN 0.293 nan 8.290 nan 0.000 0.573 176 W N 0.225 121.662 121.300 0.228 0.000 2.519 176 W HA 0.251 4.911 4.660 -0.000 0.000 0.266 176 W C 2.005 178.559 176.519 0.058 0.000 1.253 176 W CA 1.029 58.445 57.345 0.118 0.000 1.274 176 W CB 0.145 29.579 29.460 -0.043 0.000 1.114 176 W HN 0.680 nan 8.180 nan 0.000 0.596 177 D N -3.734 116.829 120.400 0.273 0.000 2.582 177 D HA -0.047 4.593 4.640 -0.000 0.000 0.246 177 D C 0.232 176.668 176.300 0.228 0.000 1.334 177 D CA -0.727 53.368 54.000 0.159 0.000 0.805 177 D CB -1.023 39.875 40.800 0.163 0.000 1.087 177 D HN 0.034 nan 8.370 nan 0.000 0.499 178 Y N 0.593 120.989 120.300 0.159 0.000 4.604 178 Y HA -0.263 4.287 4.550 -0.000 0.000 0.230 178 Y C 0.614 176.624 175.900 0.184 0.000 1.066 178 Y CA 0.216 58.401 58.100 0.142 0.000 1.990 178 Y CB -2.377 36.141 38.460 0.097 0.000 1.619 178 Y HN 0.285 nan 8.280 nan 0.000 0.649 179 K N 0.465 121.044 120.400 0.298 0.000 2.397 179 K HA 0.459 4.779 4.320 -0.000 0.000 0.202 179 K C 1.060 177.715 176.600 0.092 0.000 1.022 179 K CA 0.573 56.971 56.287 0.185 0.000 1.141 179 K CB 0.350 32.932 32.500 0.137 0.000 0.857 179 K HN 0.423 nan 8.250 nan 0.000 0.514 180 G N 1.050 109.953 108.800 0.173 0.000 2.697 180 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.686 180 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.686 180 G C -0.457 174.515 174.900 0.121 0.000 1.179 180 G CA -0.730 44.438 45.100 0.114 0.000 0.765 180 G HN 0.238 nan 8.290 nan 0.000 0.649 181 A N 0.832 123.722 122.820 0.117 0.000 2.507 181 A HA 0.490 4.810 4.320 -0.000 0.000 0.235 181 A C 1.337 179.011 177.584 0.150 0.000 1.070 181 A CA 1.321 53.422 52.037 0.107 0.000 0.768 181 A CB 0.055 19.112 19.000 0.096 0.000 1.011 181 A HN 0.922 nan 8.150 nan 0.000 0.502 182 D N -0.798 119.719 120.400 0.196 0.000 2.178 182 D HA 0.058 4.698 4.640 -0.000 0.000 0.201 182 D C 0.138 176.624 176.300 0.309 0.000 0.980 182 D CA 1.527 55.661 54.000 0.224 0.000 0.842 182 D CB -0.058 40.840 40.800 0.162 0.000 0.948 182 D HN 0.283 nan 8.370 nan 0.000 0.472 183 L N -0.523 120.907 121.223 0.345 0.000 2.476 183 L HA 0.617 4.957 4.340 -0.000 0.000 0.269 183 L C -1.768 175.170 176.870 0.113 0.000 0.965 183 L CA -0.879 54.109 54.840 0.247 0.000 0.845 183 L CB 1.728 43.958 42.059 0.285 0.000 1.259 183 L HN -0.131 nan 8.230 nan 0.000 0.403 184 A N 4.098 126.961 122.820 0.071 0.000 2.318 184 A HA 0.692 5.012 4.320 -0.000 0.000 0.317 184 A C -0.767 176.797 177.584 -0.033 0.000 1.159 184 A CA -0.457 51.602 52.037 0.037 0.000 0.799 184 A CB 0.860 19.919 19.000 0.098 0.000 1.194 184 A HN 0.771 nan 8.150 nan 0.000 0.479 185 C N 3.125 122.386 119.300 -0.066 0.000 2.225 185 C HA 0.478 4.937 4.460 -0.000 0.000 0.328 185 C C 0.398 175.348 174.990 -0.067 0.000 1.187 185 C CA -0.675 58.281 59.018 -0.104 0.000 1.665 185 C CB -0.620 27.042 27.740 -0.130 0.000 2.253 185 C HN 0.568 nan 8.230 nan 0.000 0.497 186 V N 5.177 125.036 119.914 -0.091 0.000 2.385 186 V HA 0.211 4.331 4.120 -0.000 0.000 0.269 186 V C 0.258 176.290 176.094 -0.105 0.000 1.043 186 V CA -0.184 62.054 62.300 -0.104 0.000 0.906 186 V CB 0.963 32.646 31.823 -0.234 0.000 0.995 186 V HN 0.675 nan 8.190 nan 0.000 0.467 187 V N 4.920 124.809 119.914 -0.041 0.000 2.432 187 V HA 0.313 4.433 4.120 -0.000 0.000 0.271 187 V C 0.219 176.299 176.094 -0.023 0.000 1.046 187 V CA -0.153 62.151 62.300 0.008 0.000 0.945 187 V CB 0.751 32.659 31.823 0.143 0.000 0.992 187 V HN 1.009 nan 8.190 nan 0.000 0.471 188 C N 4.621 123.911 119.300 -0.017 0.000 2.779 188 C HA 0.648 5.108 4.460 -0.000 0.000 0.314 188 C C 0.229 175.246 174.990 0.045 0.000 1.231 188 C CA -1.128 57.880 59.018 -0.017 0.000 1.652 188 C CB 1.842 29.541 27.740 -0.068 0.000 2.198 188 C HN 0.943 nan 8.230 nan 0.000 0.483 189 R N 1.025 121.559 120.500 0.057 0.000 2.265 189 R HA 0.572 4.912 4.340 -0.000 0.000 0.319 189 R C -0.973 175.369 176.300 0.071 0.000 1.006 189 R CA -0.223 55.919 56.100 0.071 0.000 0.880 189 R CB 0.701 31.045 30.300 0.073 0.000 1.077 189 R HN 0.651 nan 8.270 nan 0.000 0.454 190 V N 3.697 123.660 119.914 0.083 0.000 2.529 190 V HA 0.098 4.217 4.120 -0.000 0.000 0.292 190 V C 0.096 176.256 176.094 0.110 0.000 1.028 190 V CA 0.613 62.998 62.300 0.142 0.000 1.074 190 V CB 1.142 33.071 31.823 0.177 0.000 0.958 190 V HN 0.771 nan 8.190 nan 0.000 0.481 191 S N 3.068 118.837 115.700 0.115 0.000 2.706 191 S HA 0.258 4.728 4.470 -0.000 0.000 0.270 191 S C 0.553 175.190 174.600 0.063 0.000 1.163 191 S CA -0.711 57.533 58.200 0.073 0.000 1.042 191 S CB 1.204 64.438 63.200 0.057 0.000 1.079 191 S HN 0.864 nan 8.310 nan 0.000 0.474 192 D N 1.994 122.419 120.400 0.042 0.000 2.097 192 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 192 D C 0.091 176.399 176.300 0.012 0.000 0.989 192 D CA 1.149 55.158 54.000 0.014 0.000 0.827 192 D CB 0.200 41.001 40.800 0.002 0.000 0.966 192 D HN 0.527 nan 8.370 nan 0.000 0.456 193 D N 0.146 120.556 120.400 0.017 0.000 2.467 193 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 193 D C -1.810 174.505 176.300 0.024 0.000 1.103 193 D CA -2.129 51.881 54.000 0.017 0.000 0.886 193 D CB 1.423 42.230 40.800 0.013 0.000 1.025 193 D HN 0.006 nan 8.370 nan 0.000 0.514 194 P HA -0.063 nan 4.420 nan 0.000 0.239 194 P C 0.632 177.950 177.300 0.031 0.000 1.184 194 P CA 0.511 63.632 63.100 0.035 0.000 0.760 194 P CB 0.207 31.930 31.700 0.039 0.000 0.884 195 S N -2.917 112.798 115.700 0.025 0.000 2.604 195 S HA 0.188 4.658 4.470 -0.000 0.000 0.235 195 S C 0.757 175.368 174.600 0.018 0.000 1.043 195 S CA -0.339 57.874 58.200 0.022 0.000 0.997 195 S CB -0.035 63.177 63.200 0.020 0.000 0.956 195 S HN -0.070 nan 8.310 nan 0.000 0.535 196 K N 3.394 123.805 120.400 0.018 0.000 2.249 196 K HA 0.397 4.717 4.320 -0.000 0.000 0.280 196 K C -2.510 174.099 176.600 0.016 0.000 1.033 196 K CA -2.084 54.212 56.287 0.015 0.000 0.946 196 K CB 0.592 33.099 32.500 0.013 0.000 1.005 196 K HN 0.271 nan 8.250 nan 0.000 0.469 197 P HA -0.077 nan 4.420 nan 0.000 0.269 197 P C -0.864 176.444 177.300 0.013 0.000 1.209 197 P CA -0.154 62.953 63.100 0.013 0.000 0.776 197 P CB 0.534 32.240 31.700 0.010 0.000 0.876 198 Q N 1.572 121.380 119.800 0.013 0.000 2.304 198 Q HA -0.077 4.263 4.340 -0.000 0.000 0.301 198 Q C 0.147 176.150 176.000 0.004 0.000 1.063 198 Q CA 0.120 55.929 55.803 0.010 0.000 0.947 198 Q CB 0.134 28.878 28.738 0.008 0.000 1.201 198 Q HN 0.360 nan 8.270 nan 0.000 0.389 199 D N 5.748 126.150 120.400 0.003 0.000 2.412 199 D HA -0.013 4.626 4.640 -0.000 0.000 0.257 199 D C -1.575 174.722 176.300 -0.006 0.000 1.217 199 D CA -1.431 52.569 54.000 -0.000 0.000 0.897 199 D CB 1.155 41.956 40.800 0.000 0.000 1.132 199 D HN 0.474 nan 8.370 nan 0.000 0.493 200 P HA -0.085 nan 4.420 nan 0.000 0.228 200 P C 0.558 177.850 177.300 -0.014 0.000 1.151 200 P CA 0.589 63.683 63.100 -0.010 0.000 0.770 200 P CB 0.473 32.168 31.700 -0.008 0.000 0.786 201 N N -0.127 118.567 118.700 -0.012 0.000 2.373 201 N HA 0.042 4.782 4.740 -0.000 0.000 0.181 201 N C 0.583 176.084 175.510 -0.016 0.000 1.082 201 N CA 0.286 53.328 53.050 -0.013 0.000 0.885 201 N CB 0.656 39.138 38.487 -0.009 0.000 0.977 201 N HN 0.155 nan 8.380 nan 0.000 0.462 202 V N -0.231 119.673 119.914 -0.017 0.000 2.481 202 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 202 V C 0.048 176.121 176.094 -0.035 0.000 1.042 202 V CA -1.224 61.064 62.300 -0.021 0.000 0.928 202 V CB 1.540 33.355 31.823 -0.014 0.000 0.986 202 V HN -0.119 nan 8.190 nan 0.000 0.462 203 D N 5.385 125.759 120.400 -0.042 0.000 2.412 203 D HA 0.227 4.867 4.640 -0.000 0.000 0.257 203 D C -1.543 174.709 176.300 -0.080 0.000 1.217 203 D CA -1.667 52.295 54.000 -0.063 0.000 0.897 203 D CB 1.619 42.383 40.800 -0.060 0.000 1.132 203 D HN 0.385 nan 8.370 nan 0.000 0.493 204 P HA -0.152 nan 4.420 nan 0.000 0.217 204 P C 0.995 178.191 177.300 -0.172 0.000 1.148 204 P CA 1.647 64.667 63.100 -0.132 0.000 0.828 204 P CB 0.079 31.671 31.700 -0.180 0.000 0.783 205 A N -0.415 122.280 122.820 -0.209 0.000 2.076 205 A HA -0.185 4.134 4.320 -0.000 0.000 0.220 205 A C 2.111 179.630 177.584 -0.108 0.000 1.160 205 A CA 2.246 54.160 52.037 -0.206 0.000 0.653 205 A CB -1.865 17.021 19.000 -0.189 0.000 0.801 205 A HN 0.369 nan 8.150 nan 0.000 0.455 206 T N -3.741 110.767 114.554 -0.076 0.000 3.113 206 T HA 0.028 4.378 4.350 -0.000 0.000 0.256 206 T C 1.139 175.828 174.700 -0.019 0.000 1.131 206 T CA 0.892 62.968 62.100 -0.040 0.000 1.074 206 T CB -0.010 68.841 68.868 -0.028 0.000 0.944 206 T HN 0.360 nan 8.240 nan 0.000 0.516 207 Q N 0.540 120.326 119.800 -0.023 0.000 2.198 207 Q HA 0.365 4.705 4.340 -0.000 0.000 0.209 207 Q C 0.026 176.039 176.000 0.021 0.000 0.848 207 Q CA -0.150 55.658 55.803 0.009 0.000 0.974 207 Q CB 0.401 29.147 28.738 0.013 0.000 1.115 207 Q HN 0.510 nan 8.270 nan 0.000 0.494 208 I N 1.113 121.690 120.570 0.012 0.000 2.428 208 I HA 0.477 4.647 4.170 -0.000 0.000 0.289 208 I C 0.206 176.321 176.117 -0.004 0.000 1.019 208 I CA -0.694 60.638 61.300 0.052 0.000 1.351 208 I CB 0.804 38.875 38.000 0.119 0.000 1.412 208 I HN -0.124 nan 8.210 nan 0.000 0.513 209 A N 6.260 129.056 122.820 -0.040 0.000 2.435 209 A HA 0.798 5.118 4.320 -0.000 0.000 0.304 209 A C -1.068 176.426 177.584 -0.150 0.000 1.064 209 A CA -0.520 51.419 52.037 -0.165 0.000 0.727 209 A CB 1.841 20.642 19.000 -0.331 0.000 1.284 209 A HN 0.386 nan 8.150 nan 0.000 0.415 210 V N 2.368 122.164 119.914 -0.197 0.000 2.444 210 V HA 0.474 4.594 4.120 -0.000 0.000 0.294 210 V C -0.663 175.279 176.094 -0.255 0.000 1.022 210 V CA -0.191 62.003 62.300 -0.177 0.000 0.850 210 V CB 1.153 32.897 31.823 -0.132 0.000 0.992 210 V HN 0.738 nan 8.190 nan 0.000 0.426 211 L N 5.306 126.386 121.223 -0.239 0.000 2.346 211 L HA 0.561 4.901 4.340 -0.000 0.000 0.276 211 L C -0.846 175.911 176.870 -0.190 0.000 1.006 211 L CA -0.728 53.967 54.840 -0.242 0.000 0.817 211 L CB 1.857 43.788 42.059 -0.213 0.000 1.272 211 L HN 0.361 nan 8.230 nan 0.000 0.421 212 L N 4.014 125.105 121.223 -0.220 0.000 2.305 212 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 212 L C -0.270 176.560 176.870 -0.068 0.000 1.085 212 L CA -0.011 54.670 54.840 -0.264 0.000 0.813 212 L CB 1.500 43.169 42.059 -0.650 0.000 1.157 212 L HN 0.221 nan 8.230 nan 0.000 0.436 213 V N 2.455 122.379 119.914 0.017 0.000 2.525 213 V HA 0.656 4.776 4.120 -0.000 0.000 0.299 213 V C 0.129 176.323 176.094 0.168 0.000 1.034 213 V CA -0.609 61.787 62.300 0.159 0.000 0.863 213 V CB 2.020 33.962 31.823 0.199 0.000 0.999 213 V HN 0.907 nan 8.190 nan 0.000 0.423 214 T N 1.642 116.323 114.554 0.212 0.000 2.905 214 T HA 0.497 4.847 4.350 -0.000 0.000 0.283 214 T C 0.989 175.770 174.700 0.135 0.000 1.031 214 T CA -0.716 61.503 62.100 0.199 0.000 1.002 214 T CB 1.713 70.737 68.868 0.259 0.000 1.200 214 T HN 0.426 nan 8.240 nan 0.000 0.560 215 R N 0.026 120.591 120.500 0.108 0.000 2.120 215 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 215 R C 2.403 178.742 176.300 0.065 0.000 1.123 215 R CA 1.550 57.689 56.100 0.065 0.000 0.975 215 R CB -0.276 30.068 30.300 0.074 0.000 0.866 215 R HN 0.798 nan 8.270 nan 0.000 0.446 216 E N 0.152 120.401 120.200 0.082 0.000 2.051 216 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 216 E C 1.455 178.098 176.600 0.071 0.000 0.991 216 E CA 1.804 58.245 56.400 0.068 0.000 0.799 216 E CB 0.133 29.873 29.700 0.066 0.000 0.748 216 E HN 0.283 nan 8.360 nan 0.000 0.449 217 T N 1.178 115.799 114.554 0.111 0.000 2.699 217 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 217 T C 1.913 176.673 174.700 0.100 0.000 1.036 217 T CA 1.443 63.609 62.100 0.110 0.000 1.147 217 T CB -0.233 68.770 68.868 0.226 0.000 0.862 217 T HN 0.171 nan 8.240 nan 0.000 0.446 218 I N 1.412 122.087 120.570 0.176 0.000 2.202 218 I HA -0.102 4.068 4.170 -0.000 0.000 0.242 218 I C 2.922 179.087 176.117 0.080 0.000 1.091 218 I CA 1.084 62.480 61.300 0.159 0.000 1.368 218 I CB -0.469 37.434 38.000 -0.162 0.000 1.058 218 I HN 0.185 nan 8.210 nan 0.000 0.410 219 A N 0.554 123.402 122.820 0.046 0.000 2.070 219 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 219 A C 1.796 179.393 177.584 0.022 0.000 1.159 219 A CA 1.691 53.751 52.037 0.039 0.000 0.656 219 A CB -0.579 18.442 19.000 0.036 0.000 0.800 219 A HN 0.418 nan 8.150 nan 0.000 0.453 220 N N 0.299 118.999 118.700 0.001 0.000 2.398 220 N HA 0.047 4.787 4.740 -0.000 0.000 0.188 220 N C -0.120 175.349 175.510 -0.069 0.000 1.122 220 N CA 0.139 53.171 53.050 -0.031 0.000 0.866 220 N CB -0.032 38.434 38.487 -0.036 0.000 0.970 220 N HN 0.481 nan 8.380 nan 0.000 0.462 221 N N 0.674 119.335 118.700 -0.065 0.000 2.459 221 N HA 0.185 4.925 4.740 -0.000 0.000 0.288 221 N C -0.278 175.257 175.510 0.042 0.000 1.186 221 N CA -0.444 52.569 53.050 -0.061 0.000 0.917 221 N CB 1.714 40.102 38.487 -0.166 0.000 1.219 221 N HN -0.087 nan 8.380 nan 0.000 0.525 222 K N 1.272 121.708 120.400 0.060 0.000 2.518 222 K HA -0.050 4.270 4.320 -0.000 0.000 0.276 222 K C 1.249 177.926 176.600 0.130 0.000 0.974 222 K CA -0.049 56.287 56.287 0.082 0.000 0.986 222 K CB 0.790 33.340 32.500 0.083 0.000 0.901 222 K HN 0.326 nan 8.250 nan 0.000 0.497 223 K N 2.266 122.729 120.400 0.105 0.000 2.059 223 K HA -0.210 4.109 4.320 -0.000 0.000 0.212 223 K C 1.279 177.958 176.600 0.130 0.000 1.050 223 K CA 2.122 58.480 56.287 0.117 0.000 0.927 223 K CB -0.258 32.291 32.500 0.082 0.000 0.714 223 K HN 0.789 nan 8.250 nan 0.000 0.447 224 D N -0.687 119.776 120.400 0.106 0.000 2.363 224 D HA -0.050 4.590 4.640 -0.000 0.000 0.226 224 D C 1.297 177.672 176.300 0.125 0.000 1.020 224 D CA 0.681 54.733 54.000 0.086 0.000 0.892 224 D CB 0.016 40.852 40.800 0.060 0.000 0.900 224 D HN 0.079 nan 8.370 nan 0.000 0.531 225 A N -0.584 122.369 122.820 0.221 0.000 2.072 225 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 225 A C 0.343 178.165 177.584 0.397 0.000 1.156 225 A CA 0.239 52.485 52.037 0.348 0.000 0.701 225 A CB -0.386 18.887 19.000 0.456 0.000 0.816 225 A HN 0.348 nan 8.150 nan 0.000 0.458 226 Y N 0.586 120.953 120.300 0.112 0.000 2.402 226 Y HA 0.485 5.035 4.550 -0.000 0.000 0.325 226 Y C -0.765 175.022 175.900 -0.189 0.000 1.009 226 Y CA -0.665 57.335 58.100 -0.166 0.000 1.278 226 Y CB 0.758 39.162 38.460 -0.093 0.000 1.105 226 Y HN 0.232 nan 8.280 nan 0.000 0.476 227 Q N 6.328 125.851 119.800 -0.461 0.000 2.331 227 Q HA 0.475 4.815 4.340 -0.000 0.000 0.267 227 Q C -1.002 174.646 176.000 -0.586 0.000 1.006 227 Q CA -1.038 54.534 55.803 -0.384 0.000 0.818 227 Q CB 2.404 30.987 28.738 -0.258 0.000 1.276 227 Q HN 0.555 nan 8.270 nan 0.000 0.450 228 I N 4.404 124.663 120.570 -0.518 0.000 2.322 228 I HA 0.038 4.208 4.170 -0.000 0.000 0.292 228 I C 0.925 176.774 176.117 -0.445 0.000 1.060 228 I CA 0.311 61.252 61.300 -0.599 0.000 1.309 228 I CB 0.505 38.001 38.000 -0.841 0.000 1.415 228 I HN 0.730 nan 8.210 nan 0.000 0.492 229 L N 5.296 126.240 121.223 -0.466 0.000 2.354 229 L HA 0.309 4.648 4.340 -0.000 0.000 0.212 229 L C 1.053 177.768 176.870 -0.259 0.000 1.091 229 L CA 0.198 54.799 54.840 -0.399 0.000 0.828 229 L CB 0.029 41.705 42.059 -0.639 0.000 0.973 229 L HN 0.765 nan 8.230 nan 0.000 0.461 230 G N -0.232 108.437 108.800 -0.218 0.000 2.523 230 G HA2 0.409 4.369 3.960 -0.000 0.000 0.291 230 G HA3 0.409 4.369 3.960 -0.000 0.000 0.291 230 G C -1.910 172.927 174.900 -0.105 0.000 1.450 230 G CA -0.333 44.703 45.100 -0.108 0.000 0.790 230 G HN -0.131 nan 8.290 nan 0.000 0.496 231 E N 0.710 120.880 120.200 -0.049 0.000 2.373 231 E HA 0.577 4.927 4.350 -0.000 0.000 0.251 231 E C -2.471 174.100 176.600 -0.048 0.000 0.923 231 E CA -1.474 54.910 56.400 -0.027 0.000 0.798 231 E CB 1.542 31.305 29.700 0.105 0.000 1.303 231 E HN 0.297 nan 8.360 nan 0.000 0.412 232 P HA -0.024 nan 4.420 nan 0.000 0.264 232 P C -0.775 176.531 177.300 0.010 0.000 1.179 232 P CA 0.295 63.340 63.100 -0.092 0.000 0.763 232 P CB 0.525 32.118 31.700 -0.178 0.000 0.806 233 E N 2.898 123.117 120.200 0.031 0.000 2.081 233 E HA 0.230 4.580 4.350 -0.000 0.000 0.281 233 E C -0.061 176.583 176.600 0.074 0.000 0.986 233 E CA -0.278 56.151 56.400 0.049 0.000 0.796 233 E CB 0.584 30.306 29.700 0.037 0.000 1.085 233 E HN 0.393 nan 8.360 nan 0.000 0.398 234 L N 1.352 122.626 121.223 0.084 0.000 2.379 234 L HA 0.288 4.628 4.340 -0.000 0.000 0.269 234 L C 1.625 178.526 176.870 0.051 0.000 1.084 234 L CA -0.451 54.450 54.840 0.101 0.000 0.802 234 L CB 1.128 43.263 42.059 0.126 0.000 1.175 234 L HN 0.530 nan 8.230 nan 0.000 0.448 235 A N 2.401 125.242 122.820 0.034 0.000 1.883 235 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 235 A C 0.982 178.546 177.584 -0.033 0.000 1.186 235 A CA 1.757 53.792 52.037 -0.003 0.000 0.624 235 A CB -0.516 18.473 19.000 -0.019 0.000 0.822 235 A HN 0.846 nan 8.150 nan 0.000 0.444 236 G N -4.917 103.854 108.800 -0.048 0.000 2.949 236 G HA2 0.477 4.437 3.960 -0.000 0.000 0.285 236 G HA3 0.477 4.437 3.960 -0.000 0.000 0.285 236 G C -0.544 174.319 174.900 -0.062 0.000 1.395 236 G CA -0.068 44.955 45.100 -0.128 0.000 0.901 236 G HN 0.468 nan 8.290 nan 0.000 0.519 237 H N -0.752 118.283 119.070 -0.058 0.000 2.677 237 H HA -0.168 4.388 4.556 -0.000 0.000 0.321 237 H C 1.574 176.881 175.328 -0.034 0.000 1.171 237 H CA 1.045 57.075 56.048 -0.030 0.000 1.139 237 H CB -1.390 28.374 29.762 0.003 0.000 1.515 237 H HN 0.681 nan 8.280 nan 0.000 0.423 238 I N -2.192 118.362 120.570 -0.026 0.000 3.111 238 I HA -0.065 4.105 4.170 -0.000 0.000 0.272 238 I C 2.028 178.123 176.117 -0.036 0.000 1.268 238 I CA 1.493 62.782 61.300 -0.017 0.000 1.467 238 I CB 0.029 38.016 38.000 -0.021 0.000 1.087 238 I HN 0.247 nan 8.210 nan 0.000 0.467 239 T N -2.434 112.057 114.554 -0.105 0.000 3.086 239 T HA 0.118 4.468 4.350 -0.000 0.000 0.250 239 T C 0.827 175.616 174.700 0.147 0.000 1.074 239 T CA -0.050 62.014 62.100 -0.060 0.000 0.988 239 T CB -0.424 68.244 68.868 -0.335 0.000 0.988 239 T HN 0.305 nan 8.240 nan 0.000 0.530 240 T N 1.568 116.173 114.554 0.085 0.000 2.874 240 T HA 0.519 4.869 4.350 -0.000 0.000 0.281 240 T C -0.466 174.091 174.700 -0.238 0.000 0.994 240 T CA -0.399 61.692 62.100 -0.014 0.000 1.015 240 T CB 1.157 70.044 68.868 0.033 0.000 1.028 240 T HN 0.349 nan 8.240 nan 0.000 0.523 241 S N 0.501 115.797 115.700 -0.673 0.000 2.500 241 S HA 0.716 5.186 4.470 -0.000 0.000 0.301 241 S C -0.295 174.103 174.600 -0.337 0.000 1.092 241 S CA -0.294 57.571 58.200 -0.560 0.000 1.030 241 S CB 1.088 63.709 63.200 -0.965 0.000 1.031 241 S HN 1.025 nan 8.310 nan 0.000 0.483 242 G N 5.012 113.723 108.800 -0.149 0.000 3.846 242 G HA2 0.399 4.359 3.960 -0.000 0.000 0.281 242 G HA3 0.399 4.359 3.960 -0.000 0.000 0.281 242 G C -3.187 171.644 174.900 -0.114 0.000 1.384 242 G CA -0.834 44.219 45.100 -0.078 0.000 0.641 242 G HN 0.548 nan 8.290 nan 0.000 0.458 243 P HA 0.109 nan 4.420 nan 0.000 0.275 243 P C -0.633 176.527 177.300 -0.233 0.000 1.266 243 P CA -0.273 62.702 63.100 -0.208 0.000 0.793 243 P CB 0.919 32.436 31.700 -0.305 0.000 1.074 244 H N -0.564 118.283 119.070 -0.372 0.000 2.705 244 H HA 0.295 4.850 4.556 -0.000 0.000 0.291 244 H C -0.642 174.439 175.328 -0.413 0.000 1.085 244 H CA -0.383 55.444 56.048 -0.370 0.000 1.357 244 H CB 0.095 29.656 29.762 -0.335 0.000 1.419 244 H HN 0.194 nan 8.280 nan 0.000 0.462 245 T N 6.091 120.516 114.554 -0.214 0.000 2.824 245 T HA 0.268 4.618 4.350 -0.000 0.000 0.280 245 T C -0.243 174.153 174.700 -0.508 0.000 0.995 245 T CA -0.766 61.000 62.100 -0.558 0.000 1.009 245 T CB 1.344 69.767 68.868 -0.741 0.000 0.955 245 T HN 0.585 nan 8.240 nan 0.000 0.452 246 R N 2.254 122.367 120.500 -0.646 0.000 2.437 246 R HA 0.495 4.835 4.340 -0.000 0.000 0.310 246 R C -1.509 174.468 176.300 -0.538 0.000 0.955 246 R CA -0.629 55.206 56.100 -0.441 0.000 0.851 246 R CB 0.645 30.762 30.300 -0.305 0.000 1.161 246 R HN 0.485 nan 8.270 nan 0.000 0.446 247 F N 2.081 121.946 119.950 -0.142 0.000 2.404 247 F HA 0.319 4.846 4.527 -0.000 0.000 0.354 247 F C 0.184 176.004 175.800 0.034 0.000 1.122 247 F CA -0.359 57.606 58.000 -0.059 0.000 1.080 247 F CB 2.290 41.254 39.000 -0.060 0.000 1.131 247 F HN 0.289 nan 8.300 nan 0.000 0.471 248 T N 3.438 118.146 114.554 0.256 0.000 2.833 248 T HA 0.220 4.570 4.350 -0.000 0.000 0.297 248 T C -0.403 174.449 174.700 0.252 0.000 1.015 248 T CA -0.806 61.412 62.100 0.197 0.000 0.963 248 T CB 0.947 69.886 68.868 0.119 0.000 0.955 248 T HN 0.522 nan 8.240 nan 0.000 0.449 249 E N 1.207 121.529 120.200 0.205 0.000 2.269 249 E HA -0.213 4.137 4.350 -0.000 0.000 0.223 249 E C -0.613 176.130 176.600 0.238 0.000 1.244 249 E CA 0.374 56.872 56.400 0.162 0.000 0.713 249 E CB -1.114 28.682 29.700 0.161 0.000 1.178 249 E HN 0.725 nan 8.360 nan 0.000 0.370 250 F N 1.597 121.626 119.950 0.132 0.000 2.424 250 F HA 0.172 4.699 4.527 -0.000 0.000 0.356 250 F C 0.926 176.784 175.800 0.096 0.000 1.110 250 F CA -0.466 57.664 58.000 0.216 0.000 1.161 250 F CB 0.550 39.779 39.000 0.381 0.000 1.115 250 F HN -0.011 nan 8.300 nan 0.000 0.507 251 H N 5.665 124.535 119.070 -0.333 0.000 2.527 251 H HA 0.473 5.029 4.556 -0.000 0.000 0.321 251 H C -0.779 174.425 175.328 -0.208 0.000 1.087 251 H CA -0.516 55.431 56.048 -0.169 0.000 1.337 251 H CB 1.713 31.395 29.762 -0.133 0.000 1.440 251 H HN 0.349 nan 8.280 nan 0.000 0.490 252 V N 6.099 126.075 119.914 0.103 0.000 2.531 252 V HA 0.199 4.319 4.120 -0.000 0.000 0.301 252 V C -2.158 174.068 176.094 0.220 0.000 1.034 252 V CA -1.953 60.437 62.300 0.151 0.000 0.865 252 V CB 2.107 34.044 31.823 0.190 0.000 0.995 252 V HN 0.673 nan 8.190 nan 0.000 0.424 253 P HA 0.045 nan 4.420 nan 0.000 0.268 253 P C 0.513 177.992 177.300 0.299 0.000 1.204 253 P CA 0.245 63.479 63.100 0.223 0.000 0.768 253 P CB 0.701 32.502 31.700 0.167 0.000 0.842 254 H N 3.453 122.698 119.070 0.293 0.000 2.431 254 H HA -0.217 4.339 4.556 -0.000 0.000 0.297 254 H C 1.716 177.167 175.328 0.206 0.000 1.115 254 H CA 2.515 58.779 56.048 0.360 0.000 1.277 254 H CB -0.062 29.880 29.762 0.299 0.000 1.372 254 H HN 0.559 nan 8.280 nan 0.000 0.516 255 E N -0.677 119.626 120.200 0.172 0.000 2.333 255 E HA -0.175 4.175 4.350 -0.000 0.000 0.198 255 E C 1.244 177.893 176.600 0.081 0.000 1.007 255 E CA 1.337 57.798 56.400 0.103 0.000 0.845 255 E CB -0.231 29.555 29.700 0.144 0.000 0.766 255 E HN 0.632 nan 8.360 nan 0.000 0.507 256 N N 0.375 119.118 118.700 0.072 0.000 2.270 256 N HA 0.071 4.811 4.740 -0.000 0.000 0.198 256 N C -0.420 174.997 175.510 -0.154 0.000 1.117 256 N CA -0.390 52.674 53.050 0.023 0.000 0.845 256 N CB 0.312 38.852 38.487 0.089 0.000 0.980 256 N HN 0.104 nan 8.380 nan 0.000 0.486 257 L N 2.132 123.217 121.223 -0.229 0.000 2.433 257 L HA 0.053 4.393 4.340 -0.000 0.000 0.275 257 L C 1.092 177.797 176.870 -0.275 0.000 1.128 257 L CA 0.164 54.783 54.840 -0.368 0.000 0.875 257 L CB 0.708 42.438 42.059 -0.549 0.000 1.171 257 L HN 0.016 nan 8.230 nan 0.000 0.463 258 L N 6.285 127.350 121.223 -0.263 0.000 2.046 258 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 258 L C 0.770 177.546 176.870 -0.156 0.000 1.077 258 L CA 1.703 56.419 54.840 -0.206 0.000 0.747 258 L CB -0.113 41.823 42.059 -0.204 0.000 0.896 258 L HN 0.925 nan 8.230 nan 0.000 0.432 259 C N -5.482 113.718 119.300 -0.166 0.000 3.284 259 C HA 0.474 4.934 4.460 -0.000 0.000 0.348 259 C C 0.270 175.193 174.990 -0.112 0.000 1.448 259 C CA -0.784 58.165 59.018 -0.116 0.000 1.223 259 C CB 0.527 28.212 27.740 -0.092 0.000 1.588 259 C HN 0.136 nan 8.230 nan 0.000 0.451 260 T N 3.641 118.161 114.554 -0.056 0.000 2.871 260 T HA 0.342 4.692 4.350 -0.000 0.000 0.296 260 T C -2.348 172.328 174.700 -0.039 0.000 0.998 260 T CA 0.689 62.779 62.100 -0.017 0.000 1.162 260 T CB -0.104 68.768 68.868 0.008 0.000 0.947 260 T HN 0.671 nan 8.240 nan 0.000 0.536 261 P HA 0.419 nan 4.420 nan 0.000 0.267 261 P C 0.619 177.913 177.300 -0.009 0.000 1.200 261 P CA 0.517 63.592 63.100 -0.041 0.000 0.772 261 P CB 0.486 32.185 31.700 -0.001 0.000 0.855 262 G N 0.266 109.056 108.800 -0.016 0.000 2.280 262 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.277 262 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.277 262 G C 0.468 175.351 174.900 -0.029 0.000 1.288 262 G CA -0.450 44.641 45.100 -0.016 0.000 1.075 262 G HN 0.404 nan 8.290 nan 0.000 0.480 263 L N 0.364 121.566 121.223 -0.035 0.000 2.137 263 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 263 L C 3.026 179.866 176.870 -0.050 0.000 1.085 263 L CA 2.130 56.944 54.840 -0.045 0.000 0.760 263 L CB -0.428 41.606 42.059 -0.041 0.000 0.893 263 L HN 0.557 nan 8.230 nan 0.000 0.434 264 K N -0.183 120.188 120.400 -0.048 0.000 2.057 264 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 264 K C 2.271 178.835 176.600 -0.061 0.000 1.050 264 K CA 1.268 57.518 56.287 -0.061 0.000 0.935 264 K CB -0.153 32.314 32.500 -0.054 0.000 0.715 264 K HN 0.291 nan 8.250 nan 0.000 0.439 265 A N 1.393 124.185 122.820 -0.046 0.000 1.873 265 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 265 A C 2.192 179.787 177.584 0.018 0.000 1.186 265 A CA 1.202 53.218 52.037 -0.034 0.000 0.616 265 A CB -0.469 18.505 19.000 -0.043 0.000 0.823 265 A HN 0.203 nan 8.150 nan 0.000 0.442 266 Q N -0.018 119.803 119.800 0.035 0.000 2.077 266 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 266 Q C 2.137 178.168 176.000 0.052 0.000 0.989 266 Q CA 2.238 58.093 55.803 0.085 0.000 0.853 266 Q CB -0.964 27.762 28.738 -0.019 0.000 0.907 266 Q HN 0.571 nan 8.270 nan 0.000 0.418 267 G N 0.822 109.601 108.800 -0.036 0.000 2.442 267 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 267 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 267 G C 1.623 176.437 174.900 -0.143 0.000 1.141 267 G CA 0.802 45.831 45.100 -0.120 0.000 0.763 267 G HN 0.363 nan 8.290 nan 0.000 0.554 268 L N 0.123 121.287 121.223 -0.098 0.000 2.093 268 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 268 L C 2.976 179.814 176.870 -0.053 0.000 1.085 268 L CA 0.396 55.174 54.840 -0.103 0.000 0.755 268 L CB -0.371 41.632 42.059 -0.094 0.000 0.904 268 L HN 0.104 nan 8.230 nan 0.000 0.435 269 V N -0.212 119.719 119.914 0.029 0.000 2.307 269 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 269 V C 2.444 178.650 176.094 0.186 0.000 1.045 269 V CA 1.935 64.297 62.300 0.103 0.000 1.024 269 V CB -0.449 31.469 31.823 0.159 0.000 0.651 269 V HN 0.494 nan 8.190 nan 0.000 0.449 270 E N 0.176 120.483 120.200 0.177 0.000 2.085 270 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 270 E C 2.185 178.924 176.600 0.231 0.000 0.994 270 E CA 2.021 58.559 56.400 0.231 0.000 0.801 270 E CB -0.126 29.701 29.700 0.211 0.000 0.743 270 E HN 0.638 nan 8.360 nan 0.000 0.453 271 T N 0.548 115.116 114.554 0.023 0.000 2.777 271 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 271 T C 1.879 176.611 174.700 0.053 0.000 1.040 271 T CA 1.178 63.250 62.100 -0.046 0.000 1.141 271 T CB -0.318 68.323 68.868 -0.378 0.000 0.868 271 T HN 0.343 nan 8.240 nan 0.000 0.444 272 A N 0.979 123.775 122.820 -0.040 0.000 1.883 272 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 272 A C 1.976 179.453 177.584 -0.178 0.000 1.186 272 A CA 1.401 53.346 52.037 -0.153 0.000 0.624 272 A CB -1.082 17.749 19.000 -0.283 0.000 0.822 272 A HN 0.512 nan 8.150 nan 0.000 0.444 273 F N -0.290 119.627 119.950 -0.056 0.000 2.502 273 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 273 F C 2.582 178.378 175.800 -0.006 0.000 1.111 273 F CA 0.600 58.555 58.000 -0.075 0.000 1.445 273 F CB 0.049 38.971 39.000 -0.130 0.000 1.081 273 F HN 0.285 nan 8.300 nan 0.000 0.558 274 A N 0.017 122.981 122.820 0.239 0.000 1.898 274 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 274 A C 2.213 179.871 177.584 0.124 0.000 1.183 274 A CA 1.041 53.201 52.037 0.206 0.000 0.622 274 A CB -0.452 18.765 19.000 0.361 0.000 0.824 274 A HN 0.228 nan 8.150 nan 0.000 0.444 275 M N 0.783 120.449 119.600 0.110 0.000 2.159 275 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 275 M C 2.461 178.758 176.300 -0.005 0.000 1.063 275 M CA 1.914 57.243 55.300 0.049 0.000 1.110 275 M CB -0.981 31.630 32.600 0.019 0.000 1.374 275 M HN 0.623 nan 8.290 nan 0.000 0.411 276 S N 1.060 116.729 115.700 -0.051 0.000 2.387 276 S HA -0.005 4.465 4.470 -0.000 0.000 0.226 276 S C 2.209 176.775 174.600 -0.058 0.000 1.026 276 S CA 0.899 59.041 58.200 -0.097 0.000 0.972 276 S CB -0.714 62.364 63.200 -0.204 0.000 0.814 276 S HN 0.433 nan 8.310 nan 0.000 0.477 277 A N 2.541 125.359 122.820 -0.003 0.000 1.903 277 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 277 A C 2.571 180.159 177.584 0.007 0.000 1.191 277 A CA 2.427 54.469 52.037 0.009 0.000 0.638 277 A CB -1.625 17.398 19.000 0.038 0.000 0.823 277 A HN 0.952 nan 8.150 nan 0.000 0.451 278 A N -0.835 121.994 122.820 0.015 0.000 1.898 278 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 278 A C 2.127 179.724 177.584 0.021 0.000 1.181 278 A CA 1.435 53.488 52.037 0.026 0.000 0.620 278 A CB -0.543 18.479 19.000 0.036 0.000 0.819 278 A HN 0.467 nan 8.150 nan 0.000 0.442 279 L N 0.376 121.601 121.223 0.002 0.000 2.291 279 L HA -0.097 4.243 4.340 -0.000 0.000 0.214 279 L C 2.462 179.298 176.870 -0.057 0.000 1.120 279 L CA 0.939 55.775 54.840 -0.006 0.000 0.799 279 L CB -0.407 41.648 42.059 -0.008 0.000 0.925 279 L HN 0.427 nan 8.230 nan 0.000 0.446 280 V N -3.020 116.848 119.914 -0.076 0.000 2.626 280 V HA -0.060 4.060 4.120 -0.000 0.000 0.252 280 V C 2.343 178.338 176.094 -0.164 0.000 1.067 280 V CA 1.622 63.855 62.300 -0.110 0.000 1.081 280 V CB -1.647 30.165 31.823 -0.020 0.000 0.686 280 V HN 0.356 nan 8.190 nan 0.000 0.468 281 G N 0.428 109.181 108.800 -0.078 0.000 2.440 281 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 281 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 281 G C 1.736 176.582 174.900 -0.091 0.000 1.154 281 G CA 1.360 46.421 45.100 -0.064 0.000 0.767 281 G HN 0.898 nan 8.290 nan 0.000 0.552 282 A N 0.450 123.237 122.820 -0.054 0.000 1.933 282 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 282 A C 2.465 179.973 177.584 -0.126 0.000 1.175 282 A CA 1.873 53.899 52.037 -0.018 0.000 0.628 282 A CB -0.337 18.701 19.000 0.063 0.000 0.814 282 A HN 0.415 nan 8.150 nan 0.000 0.444 283 M N -0.607 118.777 119.600 -0.359 0.000 2.086 283 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 283 M C 2.554 178.488 176.300 -0.610 0.000 1.067 283 M CA 1.524 56.388 55.300 -0.726 0.000 1.116 283 M CB -0.401 31.504 32.600 -1.158 0.000 1.348 283 M HN 0.450 nan 8.290 nan 0.000 0.407 284 A N 0.507 122.907 122.820 -0.700 0.000 1.902 284 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 284 A C 2.089 179.616 177.584 -0.096 0.000 1.181 284 A CA 1.504 53.261 52.037 -0.467 0.000 0.623 284 A CB -0.934 17.880 19.000 -0.309 0.000 0.818 284 A HN 0.439 nan 8.150 nan 0.000 0.443 285 I N -0.170 120.351 120.570 -0.082 0.000 2.163 285 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 285 I C 2.716 178.869 176.117 0.059 0.000 1.085 285 I CA 1.199 62.495 61.300 -0.006 0.000 1.347 285 I CB -0.615 37.379 38.000 -0.009 0.000 1.044 285 I HN 0.390 nan 8.210 nan 0.000 0.408 286 G N 0.038 108.892 108.800 0.089 0.000 2.514 286 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.217 286 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.217 286 G C 1.652 176.670 174.900 0.196 0.000 1.198 286 G CA 1.619 46.828 45.100 0.182 0.000 0.780 286 G HN 0.292 nan 8.290 nan 0.000 0.565 287 T N 1.660 116.357 114.554 0.239 0.000 2.652 287 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 287 T C 2.814 177.623 174.700 0.182 0.000 1.039 287 T CA 1.871 64.122 62.100 0.252 0.000 1.153 287 T CB -0.499 68.614 68.868 0.409 0.000 0.863 287 T HN 0.395 nan 8.240 nan 0.000 0.428 288 A N 1.375 124.295 122.820 0.166 0.000 1.933 288 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 288 A C 2.288 179.974 177.584 0.170 0.000 1.175 288 A CA 1.767 53.891 52.037 0.145 0.000 0.628 288 A CB -0.593 18.461 19.000 0.091 0.000 0.814 288 A HN 0.422 nan 8.150 nan 0.000 0.444 289 R N -0.356 120.237 120.500 0.155 0.000 2.091 289 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 289 R C 2.326 178.755 176.300 0.215 0.000 1.136 289 R CA 1.464 57.688 56.100 0.206 0.000 0.959 289 R CB -0.430 29.964 30.300 0.156 0.000 0.856 289 R HN 0.447 nan 8.270 nan 0.000 0.437 290 A N 0.815 123.718 122.820 0.139 0.000 1.883 290 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 290 A C 2.378 179.979 177.584 0.027 0.000 1.186 290 A CA 1.945 54.018 52.037 0.061 0.000 0.624 290 A CB -0.937 18.079 19.000 0.027 0.000 0.822 290 A HN 0.560 nan 8.150 nan 0.000 0.444 291 A N -0.950 121.926 122.820 0.094 0.000 1.865 291 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 291 A C 2.096 179.878 177.584 0.330 0.000 1.191 291 A CA 1.843 54.007 52.037 0.212 0.000 0.623 291 A CB -0.876 18.314 19.000 0.316 0.000 0.826 291 A HN 0.873 nan 8.150 nan 0.000 0.444 292 F N 0.945 120.983 119.950 0.147 0.000 2.095 292 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 292 F C 2.120 177.990 175.800 0.116 0.000 1.104 292 F CA 2.308 60.383 58.000 0.125 0.000 1.232 292 F CB -0.425 38.621 39.000 0.078 0.000 0.987 292 F HN 0.384 nan 8.300 nan 0.000 0.475 293 E N -0.139 119.982 120.200 -0.132 0.000 2.072 293 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 293 E C 2.175 178.682 176.600 -0.155 0.000 0.985 293 E CA 1.221 57.462 56.400 -0.265 0.000 0.801 293 E CB -0.282 29.389 29.700 -0.049 0.000 0.750 293 E HN 0.592 nan 8.360 nan 0.000 0.452 294 E N 0.587 120.753 120.200 -0.057 0.000 2.058 294 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 294 E C 1.987 178.685 176.600 0.163 0.000 0.997 294 E CA 1.159 57.556 56.400 -0.005 0.000 0.801 294 E CB -0.060 29.515 29.700 -0.208 0.000 0.746 294 E HN 0.231 nan 8.360 nan 0.000 0.450 295 A N 0.654 123.626 122.820 0.252 0.000 1.933 295 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 295 A C 2.106 179.734 177.584 0.072 0.000 1.175 295 A CA 1.280 53.439 52.037 0.204 0.000 0.628 295 A CB -0.597 18.497 19.000 0.156 0.000 0.814 295 A HN 0.379 nan 8.150 nan 0.000 0.444 296 L N -0.176 120.956 121.223 -0.152 0.000 2.027 296 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 296 L C 2.404 179.213 176.870 -0.102 0.000 1.074 296 L CA 1.893 56.594 54.840 -0.231 0.000 0.745 296 L CB -0.567 41.156 42.059 -0.560 0.000 0.898 296 L HN 0.142 nan 8.230 nan 0.000 0.433 297 V N -0.515 119.354 119.914 -0.076 0.000 2.332 297 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 297 V C 2.343 178.438 176.094 0.002 0.000 1.055 297 V CA 2.156 64.430 62.300 -0.043 0.000 1.038 297 V CB -0.879 30.929 31.823 -0.026 0.000 0.651 297 V HN 0.522 nan 8.190 nan 0.000 0.450 298 F N 1.452 121.371 119.950 -0.052 0.000 2.095 298 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 298 F C 2.284 178.054 175.800 -0.050 0.000 1.104 298 F CA 1.664 59.648 58.000 -0.025 0.000 1.232 298 F CB -0.479 38.542 39.000 0.035 0.000 0.987 298 F HN 0.082 nan 8.300 nan 0.000 0.475 299 A N -0.163 122.704 122.820 0.079 0.000 2.015 299 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 299 A C 2.063 179.561 177.584 -0.143 0.000 1.163 299 A CA 1.462 53.498 52.037 -0.001 0.000 0.646 299 A CB -0.556 18.484 19.000 0.067 0.000 0.806 299 A HN 0.479 nan 8.150 nan 0.000 0.448 300 K N -0.074 120.202 120.400 -0.207 0.000 2.393 300 K HA 0.038 4.357 4.320 -0.000 0.000 0.193 300 K C 1.145 177.293 176.600 -0.754 0.000 1.026 300 K CA 0.951 57.028 56.287 -0.350 0.000 1.064 300 K CB 0.188 32.558 32.500 -0.217 0.000 0.833 300 K HN 0.581 nan 8.250 nan 0.000 0.521 301 S N -0.750 114.595 115.700 -0.592 0.000 2.733 301 S HA 0.111 4.581 4.470 -0.000 0.000 0.247 301 S C -0.238 174.143 174.600 -0.366 0.000 1.043 301 S CA -0.601 57.261 58.200 -0.562 0.000 1.066 301 S CB 0.523 63.548 63.200 -0.291 0.000 1.045 301 S HN 0.036 nan 8.310 nan 0.000 0.586 302 D N 1.735 121.885 120.400 -0.417 0.000 2.649 302 D HA 0.316 4.955 4.640 -0.000 0.000 0.249 302 D C 0.351 176.564 176.300 -0.146 0.000 1.112 302 D CA -0.060 53.707 54.000 -0.389 0.000 0.850 302 D CB 2.500 42.662 40.800 -1.063 0.000 1.399 302 D HN 0.200 nan 8.370 nan 0.000 0.503 303 T N 0.294 114.833 114.554 -0.024 0.000 3.086 303 T HA 0.065 4.415 4.350 -0.000 0.000 0.250 303 T C 0.865 175.591 174.700 0.042 0.000 1.074 303 T CA -0.192 61.922 62.100 0.024 0.000 0.988 303 T CB 0.120 68.985 68.868 -0.006 0.000 0.988 303 T HN 0.482 nan 8.240 nan 0.000 0.530 304 R N 0.805 121.315 120.500 0.017 0.000 3.416 304 R HA -0.183 4.157 4.340 -0.000 0.000 0.263 304 R C 1.311 177.644 176.300 0.054 0.000 1.053 304 R CA 0.785 56.925 56.100 0.067 0.000 0.705 304 R CB -2.618 27.750 30.300 0.114 0.000 1.124 304 R HN 1.131 nan 8.270 nan 0.000 0.444 305 G N -2.361 106.460 108.800 0.035 0.000 2.162 305 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 305 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 305 G C 0.574 175.489 174.900 0.024 0.000 0.976 305 G CA 0.796 45.911 45.100 0.026 0.000 0.655 305 G HN 0.874 nan 8.290 nan 0.000 0.533 306 G N -0.736 108.087 108.800 0.038 0.000 2.583 306 G HA2 0.651 4.611 3.960 -0.000 0.000 0.280 306 G HA3 0.651 4.611 3.960 -0.000 0.000 0.280 306 G C 1.231 176.139 174.900 0.012 0.000 1.376 306 G CA 0.859 45.984 45.100 0.043 0.000 1.043 306 G HN 1.126 nan 8.290 nan 0.000 0.538 307 S N -1.522 114.182 115.700 0.006 0.000 2.458 307 S HA 0.112 4.582 4.470 -0.000 0.000 0.223 307 S C 0.823 175.367 174.600 -0.094 0.000 1.019 307 S CA 0.484 58.661 58.200 -0.038 0.000 0.937 307 S CB -0.207 62.976 63.200 -0.029 0.000 0.788 307 S HN 0.713 nan 8.310 nan 0.000 0.511 308 K N 0.635 120.983 120.400 -0.087 0.000 2.267 308 K HA 0.411 4.731 4.320 -0.000 0.000 0.246 308 K C -1.141 175.362 176.600 -0.161 0.000 0.954 308 K CA -0.907 55.271 56.287 -0.182 0.000 0.824 308 K CB 0.668 33.063 32.500 -0.174 0.000 1.167 308 K HN -0.004 nan 8.250 nan 0.000 0.431 309 H N 2.229 121.224 119.070 -0.125 0.000 3.064 309 H HA -0.057 4.499 4.556 -0.000 0.000 0.329 309 H C 1.342 176.557 175.328 -0.189 0.000 1.020 309 H CA 0.429 56.393 56.048 -0.140 0.000 1.402 309 H CB 0.440 30.128 29.762 -0.124 0.000 1.379 309 H HN 0.767 nan 8.280 nan 0.000 0.594 310 I N 0.497 121.076 120.570 0.015 0.000 2.756 310 I HA -0.116 4.053 4.170 -0.000 0.000 0.262 310 I C 2.179 178.288 176.117 -0.014 0.000 1.225 310 I CA 0.983 62.303 61.300 0.033 0.000 1.472 310 I CB -0.235 37.896 38.000 0.218 0.000 1.094 310 I HN 0.451 nan 8.210 nan 0.000 0.454 311 I N 1.673 122.235 120.570 -0.014 0.000 2.657 311 I HA -0.216 3.954 4.170 -0.000 0.000 0.261 311 I C 2.102 178.193 176.117 -0.042 0.000 1.212 311 I CA 1.303 62.601 61.300 -0.003 0.000 1.453 311 I CB -0.170 37.829 38.000 -0.002 0.000 1.092 311 I HN 0.290 nan 8.210 nan 0.000 0.452 312 E N -0.339 119.768 120.200 -0.154 0.000 2.371 312 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 312 E C 0.136 176.635 176.600 -0.168 0.000 1.012 312 E CA 0.278 56.571 56.400 -0.179 0.000 0.860 312 E CB -0.136 29.419 29.700 -0.242 0.000 0.811 312 E HN 0.576 nan 8.360 nan 0.000 0.502 313 H N 1.871 120.958 119.070 0.028 0.000 2.819 313 H HA 0.118 4.674 4.556 -0.000 0.000 0.303 313 H C 1.277 176.620 175.328 0.026 0.000 1.058 313 H CA 0.122 56.184 56.048 0.023 0.000 1.471 313 H CB 0.826 30.603 29.762 0.024 0.000 1.480 313 H HN 0.144 nan 8.280 nan 0.000 0.517 314 Q N 2.051 121.927 119.800 0.128 0.000 2.112 314 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 314 Q C 1.805 177.851 176.000 0.077 0.000 0.987 314 Q CA 1.805 57.656 55.803 0.080 0.000 0.858 314 Q CB 0.089 28.862 28.738 0.058 0.000 0.905 314 Q HN 0.531 nan 8.270 nan 0.000 0.420 315 S N 0.124 115.873 115.700 0.081 0.000 2.399 315 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 315 S C 2.102 176.743 174.600 0.068 0.000 1.022 315 S CA 1.038 59.273 58.200 0.057 0.000 0.983 315 S CB -0.093 63.127 63.200 0.034 0.000 0.803 315 S HN 0.161 nan 8.310 nan 0.000 0.480 316 V N 1.897 121.872 119.914 0.102 0.000 2.283 316 V HA -0.128 3.992 4.120 -0.000 0.000 0.243 316 V C 2.678 178.827 176.094 0.092 0.000 1.039 316 V CA 1.609 63.971 62.300 0.104 0.000 1.016 316 V CB -1.252 30.660 31.823 0.148 0.000 0.650 316 V HN 0.524 nan 8.190 nan 0.000 0.449 317 A N -0.013 122.858 122.820 0.086 0.000 1.940 317 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 317 A C 1.967 179.596 177.584 0.076 0.000 1.176 317 A CA 2.100 54.184 52.037 0.077 0.000 0.631 317 A CB -0.683 18.353 19.000 0.060 0.000 0.814 317 A HN 0.539 nan 8.150 nan 0.000 0.446 318 D N -0.002 120.436 120.400 0.063 0.000 2.104 318 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 318 D C 1.925 178.258 176.300 0.055 0.000 0.994 318 D CA 1.205 55.235 54.000 0.051 0.000 0.830 318 D CB -0.166 40.657 40.800 0.040 0.000 0.959 318 D HN 0.245 nan 8.370 nan 0.000 0.452 319 K N 0.457 120.894 120.400 0.060 0.000 2.032 319 K HA -0.079 4.241 4.320 -0.000 0.000 0.209 319 K C 2.413 179.075 176.600 0.104 0.000 1.048 319 K CA 0.528 56.854 56.287 0.065 0.000 0.927 319 K CB -0.730 31.805 32.500 0.057 0.000 0.712 319 K HN 0.276 nan 8.250 nan 0.000 0.441 320 L N 0.423 121.732 121.223 0.144 0.000 2.141 320 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 320 L C 2.459 179.457 176.870 0.213 0.000 1.094 320 L CA 0.780 55.775 54.840 0.259 0.000 0.763 320 L CB -0.378 41.831 42.059 0.250 0.000 0.908 320 L HN 0.076 nan 8.230 nan 0.000 0.437 321 I N -0.154 120.486 120.570 0.117 0.000 2.252 321 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 321 I C 2.090 178.212 176.117 0.009 0.000 1.102 321 I CA 1.137 62.471 61.300 0.056 0.000 1.385 321 I CB -0.311 37.716 38.000 0.044 0.000 1.064 321 I HN 0.250 nan 8.210 nan 0.000 0.414 322 D N 0.494 120.907 120.400 0.022 0.000 2.117 322 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 322 D C 2.290 178.571 176.300 -0.032 0.000 0.987 322 D CA 1.273 55.274 54.000 0.001 0.000 0.829 322 D CB -0.538 40.270 40.800 0.014 0.000 0.961 322 D HN 0.362 nan 8.370 nan 0.000 0.460 323 C N 0.653 119.945 119.300 -0.014 0.000 2.413 323 C HA -0.130 4.330 4.460 -0.000 0.000 0.276 323 C C 2.562 177.359 174.990 -0.322 0.000 1.236 323 C CA 0.621 59.595 59.018 -0.073 0.000 1.735 323 C CB -0.631 27.183 27.740 0.123 0.000 2.031 323 C HN 0.257 nan 8.230 nan 0.000 0.474 324 K N 1.356 121.480 120.400 -0.460 0.000 2.026 324 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 324 K C 1.614 178.032 176.600 -0.304 0.000 1.048 324 K CA 1.656 57.572 56.287 -0.618 0.000 0.929 324 K CB -0.692 31.558 32.500 -0.416 0.000 0.713 324 K HN 0.516 nan 8.250 nan 0.000 0.439 325 I N 0.501 120.970 120.570 -0.168 0.000 2.208 325 I HA -0.311 3.858 4.170 -0.000 0.000 0.245 325 I C 2.391 178.475 176.117 -0.056 0.000 1.097 325 I CA 1.354 62.599 61.300 -0.091 0.000 1.363 325 I CB -0.253 37.721 38.000 -0.042 0.000 1.051 325 I HN 0.187 nan 8.210 nan 0.000 0.413 326 R N 0.541 121.003 120.500 -0.064 0.000 2.081 326 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 326 R C 2.331 178.604 176.300 -0.045 0.000 1.131 326 R CA 1.303 57.383 56.100 -0.033 0.000 0.960 326 R CB -0.449 29.797 30.300 -0.090 0.000 0.856 326 R HN 0.363 nan 8.270 nan 0.000 0.436 327 L N 0.195 121.338 121.223 -0.133 0.000 2.056 327 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 327 L C 2.475 179.267 176.870 -0.131 0.000 1.078 327 L CA 1.185 55.942 54.840 -0.139 0.000 0.749 327 L CB -0.301 41.622 42.059 -0.226 0.000 0.901 327 L HN 0.124 nan 8.230 nan 0.000 0.433 328 E N 0.047 120.157 120.200 -0.150 0.000 2.047 328 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 328 E C 2.163 178.682 176.600 -0.134 0.000 0.987 328 E CA 1.943 58.245 56.400 -0.164 0.000 0.799 328 E CB -0.074 29.532 29.700 -0.158 0.000 0.752 328 E HN 0.502 nan 8.360 nan 0.000 0.449 329 T N -2.287 112.234 114.554 -0.055 0.000 2.867 329 T HA -0.051 4.299 4.350 -0.000 0.000 0.268 329 T C 2.142 176.857 174.700 0.024 0.000 1.057 329 T CA 1.261 63.343 62.100 -0.030 0.000 1.136 329 T CB -0.407 68.466 68.868 0.008 0.000 0.874 329 T HN -0.036 nan 8.240 nan 0.000 0.466 330 S N 1.232 117.013 115.700 0.133 0.000 2.368 330 S HA -0.047 4.423 4.470 -0.000 0.000 0.225 330 S C 2.142 176.727 174.600 -0.025 0.000 1.030 330 S CA 1.201 59.483 58.200 0.137 0.000 0.999 330 S CB -0.370 62.877 63.200 0.080 0.000 0.844 330 S HN 0.560 nan 8.310 nan 0.000 0.459 331 R N 0.372 120.779 120.500 -0.156 0.000 2.090 331 R HA -0.006 4.333 4.340 -0.000 0.000 0.228 331 R C 1.869 177.886 176.300 -0.473 0.000 1.110 331 R CA 0.817 56.698 56.100 -0.364 0.000 0.973 331 R CB -0.256 29.729 30.300 -0.525 0.000 0.869 331 R HN 0.233 nan 8.270 nan 0.000 0.440 332 L N 0.905 121.945 121.223 -0.306 0.000 2.012 332 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 332 L C 2.275 179.145 176.870 -0.001 0.000 1.073 332 L CA 1.363 56.124 54.840 -0.132 0.000 0.748 332 L CB -1.108 40.897 42.059 -0.090 0.000 0.891 332 L HN 0.258 nan 8.230 nan 0.000 0.431 333 L N -1.132 120.077 121.223 -0.025 0.000 2.046 333 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 333 L C 2.446 179.359 176.870 0.073 0.000 1.077 333 L CA 1.439 56.286 54.840 0.013 0.000 0.747 333 L CB -0.521 41.526 42.059 -0.020 0.000 0.896 333 L HN 0.025 nan 8.230 nan 0.000 0.432 334 V N -1.480 118.484 119.914 0.083 0.000 2.343 334 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 334 V C 2.246 178.525 176.094 0.309 0.000 1.051 334 V CA 1.824 64.222 62.300 0.162 0.000 1.036 334 V CB -0.857 31.068 31.823 0.170 0.000 0.654 334 V HN 0.535 nan 8.190 nan 0.000 0.451 335 W N 0.600 121.923 121.300 0.037 0.000 2.381 335 W HA -0.092 4.567 4.660 -0.000 0.000 0.301 335 W C 2.515 179.043 176.519 0.014 0.000 1.205 335 W CA 1.304 58.670 57.345 0.034 0.000 1.285 335 W CB -1.013 28.485 29.460 0.062 0.000 1.133 335 W HN 0.195 nan 8.180 nan 0.000 0.521 336 K N 0.800 121.343 120.400 0.239 0.000 2.057 336 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 336 K C 2.094 178.738 176.600 0.073 0.000 1.049 336 K CA 2.054 58.410 56.287 0.114 0.000 0.931 336 K CB -0.703 31.843 32.500 0.076 0.000 0.714 336 K HN -0.063 nan 8.250 nan 0.000 0.440 337 A N 0.272 123.141 122.820 0.081 0.000 1.873 337 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 337 A C 2.279 179.890 177.584 0.045 0.000 1.186 337 A CA 1.864 53.928 52.037 0.046 0.000 0.616 337 A CB -0.968 18.058 19.000 0.044 0.000 0.823 337 A HN 0.265 nan 8.150 nan 0.000 0.442 338 V N -3.306 116.651 119.914 0.071 0.000 2.548 338 V HA -0.120 4.000 4.120 -0.000 0.000 0.249 338 V C 2.151 178.261 176.094 0.027 0.000 1.055 338 V CA 2.555 64.883 62.300 0.048 0.000 1.065 338 V CB -1.603 30.248 31.823 0.047 0.000 0.681 338 V HN 0.372 nan 8.190 nan 0.000 0.462 339 T N 0.860 115.429 114.554 0.025 0.000 2.777 339 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 339 T C 1.950 176.653 174.700 0.004 0.000 1.040 339 T CA 2.409 64.510 62.100 0.003 0.000 1.141 339 T CB -0.508 68.360 68.868 -0.000 0.000 0.868 339 T HN 0.699 nan 8.240 nan 0.000 0.444 340 T N 2.375 116.933 114.554 0.006 0.000 2.746 340 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 340 T C 1.927 176.632 174.700 0.008 0.000 1.039 340 T CA 0.931 63.029 62.100 -0.004 0.000 1.142 340 T CB -0.433 68.424 68.868 -0.019 0.000 0.866 340 T HN 0.250 nan 8.240 nan 0.000 0.444 341 L N 0.597 121.832 121.223 0.019 0.000 2.131 341 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 341 L C 2.502 179.417 176.870 0.074 0.000 1.092 341 L CA 1.303 56.180 54.840 0.061 0.000 0.759 341 L CB -0.451 41.652 42.059 0.073 0.000 0.903 341 L HN 0.332 nan 8.230 nan 0.000 0.435 342 E N -0.971 119.254 120.200 0.042 0.000 2.481 342 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 342 E C 0.338 176.955 176.600 0.029 0.000 1.047 342 E CA -0.088 56.331 56.400 0.032 0.000 0.867 342 E CB 0.113 29.820 29.700 0.012 0.000 0.858 342 E HN 0.253 nan 8.360 nan 0.000 0.513 343 D N 1.442 121.861 120.400 0.031 0.000 2.352 343 D HA -0.013 4.626 4.640 -0.000 0.000 0.245 343 D C 0.430 176.753 176.300 0.039 0.000 1.224 343 D CA 0.173 54.188 54.000 0.024 0.000 0.879 343 D CB 0.781 41.590 40.800 0.014 0.000 1.057 343 D HN 0.062 nan 8.370 nan 0.000 0.491 344 E N 2.237 122.456 120.200 0.032 0.000 2.333 344 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 344 E C 1.418 178.040 176.600 0.037 0.000 1.007 344 E CA 0.541 56.962 56.400 0.036 0.000 0.845 344 E CB 0.230 29.944 29.700 0.023 0.000 0.766 344 E HN 0.528 nan 8.360 nan 0.000 0.507 345 A N 0.646 123.484 122.820 0.030 0.000 2.123 345 A HA 0.083 4.403 4.320 -0.000 0.000 0.214 345 A C 1.033 178.637 177.584 0.034 0.000 1.152 345 A CA 0.133 52.187 52.037 0.028 0.000 0.728 345 A CB 0.055 19.067 19.000 0.020 0.000 0.814 345 A HN 0.042 nan 8.150 nan 0.000 0.464 346 L N 1.089 122.336 121.223 0.040 0.000 2.357 346 L HA 0.285 4.625 4.340 -0.000 0.000 0.273 346 L C 0.545 177.455 176.870 0.067 0.000 1.080 346 L CA -0.809 54.054 54.840 0.038 0.000 0.803 346 L CB 1.067 43.138 42.059 0.019 0.000 1.174 346 L HN 0.486 nan 8.230 nan 0.000 0.443 347 E N 1.560 121.796 120.200 0.059 0.000 2.345 347 E HA -0.054 4.296 4.350 -0.000 0.000 0.259 347 E C 0.522 177.202 176.600 0.133 0.000 1.117 347 E CA -0.673 55.789 56.400 0.103 0.000 0.913 347 E CB 1.041 30.790 29.700 0.083 0.000 1.057 347 E HN 0.765 nan 8.360 nan 0.000 0.432 348 W N 3.092 124.398 121.300 0.010 0.000 2.335 348 W HA -0.294 4.366 4.660 0.000 0.000 0.311 348 W C 1.757 178.286 176.519 0.017 0.000 1.213 348 W CA 2.211 59.563 57.345 0.011 0.000 1.274 348 W CB 0.017 29.481 29.460 0.008 0.000 1.148 348 W HN 0.769 nan 8.180 nan 0.000 0.498 349 K N 0.063 120.408 120.400 -0.091 0.000 2.113 349 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 349 K C 1.637 178.097 176.600 -0.233 0.000 1.047 349 K CA 2.119 58.289 56.287 -0.195 0.000 0.928 349 K CB -1.109 31.381 32.500 -0.017 0.000 0.716 349 K HN 0.111 nan 8.250 nan 0.000 0.446 350 V N 1.784 121.603 119.914 -0.157 0.000 2.358 350 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 350 V C 2.324 178.292 176.094 -0.210 0.000 1.047 350 V CA 1.939 64.162 62.300 -0.128 0.000 1.035 350 V CB -0.447 31.333 31.823 -0.072 0.000 0.658 350 V HN 0.384 nan 8.190 nan 0.000 0.452 351 K N -0.319 119.884 120.400 -0.328 0.000 2.026 351 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 351 K C 2.133 178.386 176.600 -0.577 0.000 1.048 351 K CA 1.454 57.490 56.287 -0.418 0.000 0.929 351 K CB -0.466 31.755 32.500 -0.464 0.000 0.713 351 K HN 0.244 nan 8.250 nan 0.000 0.439 352 L N 2.144 122.799 121.223 -0.948 0.000 1.990 352 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 352 L C 2.413 179.093 176.870 -0.318 0.000 1.072 352 L CA 1.884 56.302 54.840 -0.704 0.000 0.755 352 L CB -0.472 41.162 42.059 -0.708 0.000 0.889 352 L HN 0.233 nan 8.230 nan 0.000 0.432 353 E N -0.892 119.158 120.200 -0.251 0.000 2.085 353 E HA -0.302 4.047 4.350 -0.000 0.000 0.194 353 E C 2.167 178.713 176.600 -0.091 0.000 0.994 353 E CA 1.886 58.209 56.400 -0.129 0.000 0.801 353 E CB -0.140 29.526 29.700 -0.056 0.000 0.743 353 E HN 0.490 nan 8.360 nan 0.000 0.453 354 M N 0.760 120.297 119.600 -0.104 0.000 2.132 354 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 354 M C 2.064 178.334 176.300 -0.050 0.000 1.065 354 M CA 1.907 57.170 55.300 -0.061 0.000 1.122 354 M CB -0.495 32.069 32.600 -0.059 0.000 1.365 354 M HN 0.110 nan 8.290 nan 0.000 0.411 355 A N -0.015 122.755 122.820 -0.084 0.000 1.933 355 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 355 A C 2.068 179.640 177.584 -0.020 0.000 1.175 355 A CA 1.928 53.938 52.037 -0.046 0.000 0.628 355 A CB -0.616 18.346 19.000 -0.063 0.000 0.814 355 A HN 0.545 nan 8.150 nan 0.000 0.444 356 M N -0.318 119.259 119.600 -0.038 0.000 2.067 356 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 356 M C 2.250 178.554 176.300 0.007 0.000 1.069 356 M CA 1.566 56.856 55.300 -0.016 0.000 1.117 356 M CB -1.763 30.816 32.600 -0.036 0.000 1.334 356 M HN 0.533 nan 8.290 nan 0.000 0.407 357 Q N -0.664 119.138 119.800 0.004 0.000 2.112 357 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 357 Q C 2.000 178.043 176.000 0.071 0.000 0.987 357 Q CA 2.169 57.991 55.803 0.031 0.000 0.858 357 Q CB -0.517 28.229 28.738 0.013 0.000 0.905 357 Q HN 0.540 nan 8.270 nan 0.000 0.420 358 T N 1.037 115.623 114.554 0.054 0.000 2.708 358 T HA -0.140 4.209 4.350 -0.000 0.000 0.266 358 T C 1.728 176.483 174.700 0.093 0.000 1.037 358 T CA 1.014 63.162 62.100 0.080 0.000 1.146 358 T CB -0.077 68.823 68.868 0.053 0.000 0.865 358 T HN 0.128 nan 8.240 nan 0.000 0.435 359 K N 1.003 121.440 120.400 0.062 0.000 2.026 359 K HA -0.006 4.313 4.320 -0.000 0.000 0.208 359 K C 2.268 178.911 176.600 0.072 0.000 1.048 359 K CA 1.162 57.483 56.287 0.058 0.000 0.929 359 K CB -0.522 32.003 32.500 0.041 0.000 0.713 359 K HN 0.369 nan 8.250 nan 0.000 0.439 360 I N -0.079 120.536 120.570 0.075 0.000 2.113 360 I HA -0.318 3.852 4.170 -0.000 0.000 0.238 360 I C 2.488 178.663 176.117 0.096 0.000 1.070 360 I CA 1.510 62.855 61.300 0.075 0.000 1.332 360 I CB -0.562 37.479 38.000 0.069 0.000 1.044 360 I HN 0.135 nan 8.210 nan 0.000 0.402 361 Y N 1.996 122.303 120.300 0.012 0.000 2.114 361 Y HA -0.341 4.209 4.550 -0.000 0.000 0.284 361 Y C 3.007 178.912 175.900 0.009 0.000 1.143 361 Y CA 2.455 60.561 58.100 0.009 0.000 1.135 361 Y CB -0.750 37.713 38.460 0.005 0.000 0.980 361 Y HN 0.326 nan 8.280 nan 0.000 0.499 362 T N -3.077 111.518 114.554 0.068 0.000 2.821 362 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 362 T C 1.869 176.522 174.700 -0.077 0.000 1.046 362 T CA 1.985 64.066 62.100 -0.032 0.000 1.139 362 T CB -1.335 67.565 68.868 0.053 0.000 0.871 362 T HN 0.561 nan 8.240 nan 0.000 0.454 363 T N -0.129 114.418 114.554 -0.013 0.000 2.812 363 T HA -0.076 4.274 4.350 -0.000 0.000 0.264 363 T C 1.682 176.385 174.700 0.006 0.000 1.042 363 T CA 1.165 63.291 62.100 0.042 0.000 1.140 363 T CB -0.603 68.339 68.868 0.123 0.000 0.870 363 T HN 0.215 nan 8.240 nan 0.000 0.445 364 D N 1.679 122.050 120.400 -0.048 0.000 2.097 364 D HA -0.086 4.554 4.640 -0.000 0.000 0.195 364 D C 2.434 178.655 176.300 -0.132 0.000 0.989 364 D CA 1.746 55.700 54.000 -0.076 0.000 0.827 364 D CB -0.495 40.260 40.800 -0.075 0.000 0.966 364 D HN 0.525 nan 8.370 nan 0.000 0.456 365 V N -1.100 118.653 119.914 -0.270 0.000 2.871 365 V HA 0.104 4.224 4.120 -0.000 0.000 0.256 365 V C 2.207 178.212 176.094 -0.149 0.000 1.082 365 V CA 1.289 63.418 62.300 -0.285 0.000 1.105 365 V CB -0.693 30.795 31.823 -0.558 0.000 0.713 365 V HN 0.088 nan 8.190 nan 0.000 0.473 366 A N 0.939 123.702 122.820 -0.095 0.000 1.908 366 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 366 A C 2.379 179.981 177.584 0.031 0.000 1.181 366 A CA 2.422 54.460 52.037 0.002 0.000 0.627 366 A CB -0.963 18.084 19.000 0.079 0.000 0.818 366 A HN 0.487 nan 8.150 nan 0.000 0.445 367 V N 0.264 120.188 119.914 0.017 0.000 2.287 367 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 367 V C 2.402 178.499 176.094 0.004 0.000 1.053 367 V CA 2.415 64.721 62.300 0.011 0.000 1.027 367 V CB -1.043 30.775 31.823 -0.007 0.000 0.646 367 V HN 0.675 nan 8.190 nan 0.000 0.447 368 E N -0.816 119.373 120.200 -0.019 0.000 2.110 368 E HA -0.266 4.083 4.350 -0.000 0.000 0.193 368 E C 2.284 178.885 176.600 0.002 0.000 0.988 368 E CA 1.618 58.007 56.400 -0.017 0.000 0.804 368 E CB -0.456 29.221 29.700 -0.039 0.000 0.745 368 E HN 0.685 nan 8.360 nan 0.000 0.458 369 C N 0.619 119.922 119.300 0.004 0.000 2.432 369 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 369 C C 2.700 177.743 174.990 0.089 0.000 1.249 369 C CA 0.679 59.720 59.018 0.038 0.000 1.725 369 C CB -0.773 26.979 27.740 0.020 0.000 2.028 369 C HN 0.215 nan 8.230 nan 0.000 0.477 370 V N 1.215 121.186 119.914 0.096 0.000 2.295 370 V HA -0.210 3.909 4.120 -0.000 0.000 0.246 370 V C 2.329 178.475 176.094 0.086 0.000 1.049 370 V CA 2.513 64.896 62.300 0.139 0.000 1.024 370 V CB -0.608 31.297 31.823 0.136 0.000 0.648 370 V HN 0.586 nan 8.190 nan 0.000 0.447 371 I N -0.051 120.543 120.570 0.041 0.000 2.252 371 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 371 I C 2.255 178.359 176.117 -0.023 0.000 1.102 371 I CA 1.514 62.816 61.300 0.003 0.000 1.385 371 I CB -0.456 37.544 38.000 0.000 0.000 1.064 371 I HN 0.305 nan 8.210 nan 0.000 0.414 372 D N 1.009 121.409 120.400 -0.000 0.000 2.144 372 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 372 D C 2.242 178.538 176.300 -0.007 0.000 0.984 372 D CA 1.437 55.438 54.000 0.001 0.000 0.834 372 D CB -0.110 40.705 40.800 0.025 0.000 0.955 372 D HN 0.332 nan 8.370 nan 0.000 0.465 373 A N 0.535 123.366 122.820 0.018 0.000 1.902 373 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 373 A C 2.258 179.663 177.584 -0.298 0.000 1.181 373 A CA 1.364 53.396 52.037 -0.007 0.000 0.623 373 A CB -0.521 18.593 19.000 0.190 0.000 0.818 373 A HN 0.162 nan 8.150 nan 0.000 0.443 374 M N -0.625 118.741 119.600 -0.389 0.000 2.086 374 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 374 M C 2.134 178.246 176.300 -0.314 0.000 1.067 374 M CA 1.951 56.929 55.300 -0.536 0.000 1.116 374 M CB -0.468 31.945 32.600 -0.311 0.000 1.348 374 M HN 0.307 nan 8.290 nan 0.000 0.407 375 K N 0.484 120.779 120.400 -0.174 0.000 2.103 375 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 375 K C 2.140 178.685 176.600 -0.091 0.000 1.048 375 K CA 1.529 57.749 56.287 -0.112 0.000 0.930 375 K CB -0.341 32.119 32.500 -0.066 0.000 0.716 375 K HN 0.329 nan 8.250 nan 0.000 0.444 376 A N 0.891 123.663 122.820 -0.081 0.000 1.873 376 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 376 A C 2.370 179.943 177.584 -0.018 0.000 1.186 376 A CA 1.377 53.403 52.037 -0.018 0.000 0.616 376 A CB -0.596 18.417 19.000 0.022 0.000 0.823 376 A HN 0.075 nan 8.150 nan 0.000 0.442 377 V N -0.933 118.882 119.914 -0.165 0.000 2.427 377 V HA 0.190 4.310 4.120 -0.000 0.000 0.248 377 V C 1.804 177.764 176.094 -0.225 0.000 1.051 377 V CA 1.283 63.405 62.300 -0.297 0.000 1.048 377 V CB -1.631 29.790 31.823 -0.669 0.000 0.666 377 V HN 1.221 nan 8.190 nan 0.000 0.456 378 G N -0.711 107.970 108.800 -0.198 0.000 2.512 378 G HA2 -0.387 3.572 3.960 -0.000 0.000 0.240 378 G HA3 -0.387 3.572 3.960 -0.000 0.000 0.240 378 G C 0.415 175.233 174.900 -0.136 0.000 1.246 378 G CA 0.347 45.372 45.100 -0.125 0.000 0.919 378 G HN 0.195 nan 8.290 nan 0.000 0.577 379 M N 0.530 120.083 119.600 -0.078 0.000 2.149 379 M HA 0.037 4.517 4.480 -0.000 0.000 0.261 379 M C 2.389 178.680 176.300 -0.015 0.000 1.064 379 M CA 2.912 58.183 55.300 -0.049 0.000 1.102 379 M CB -0.524 32.061 32.600 -0.026 0.000 1.369 379 M HN 0.569 nan 8.290 nan 0.000 0.408 380 K N -0.520 119.845 120.400 -0.057 0.000 2.152 380 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 380 K C 1.858 178.428 176.600 -0.051 0.000 1.048 380 K CA 1.652 57.902 56.287 -0.061 0.000 0.933 380 K CB -0.443 31.979 32.500 -0.131 0.000 0.721 380 K HN 0.602 nan 8.250 nan 0.000 0.447 381 S N -0.158 115.460 115.700 -0.137 0.000 2.507 381 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 381 S C 1.691 176.360 174.600 0.115 0.000 0.988 381 S CA 0.606 58.752 58.200 -0.089 0.000 0.944 381 S CB -0.325 62.522 63.200 -0.588 0.000 0.762 381 S HN 0.332 nan 8.310 nan 0.000 0.526 382 Y N 2.502 122.774 120.300 -0.048 0.000 2.544 382 Y HA 0.533 5.083 4.550 -0.000 0.000 0.286 382 Y C 1.038 176.942 175.900 0.007 0.000 1.141 382 Y CA -0.549 57.541 58.100 -0.017 0.000 1.299 382 Y CB -0.432 38.008 38.460 -0.034 0.000 1.030 382 Y HN 0.451 nan 8.280 nan 0.000 0.543 383 A N -0.052 122.786 122.820 0.030 0.000 2.320 383 A HA 0.383 4.703 4.320 -0.000 0.000 0.334 383 A C 0.812 178.381 177.584 -0.026 0.000 1.147 383 A CA -0.699 51.322 52.037 -0.026 0.000 0.820 383 A CB 0.940 19.951 19.000 0.018 0.000 1.218 383 A HN 0.319 nan 8.150 nan 0.000 0.482 384 K N 0.528 120.898 120.400 -0.050 0.000 2.525 384 K HA -0.048 4.272 4.320 -0.000 0.000 0.192 384 K C 0.315 176.893 176.600 -0.036 0.000 1.029 384 K CA 0.846 57.104 56.287 -0.049 0.000 1.029 384 K CB 0.175 32.639 32.500 -0.061 0.000 0.814 384 K HN 0.809 nan 8.250 nan 0.000 0.503 385 D N 0.136 120.525 120.400 -0.019 0.000 2.363 385 D HA -0.093 4.547 4.640 -0.000 0.000 0.220 385 D C 0.628 176.920 176.300 -0.013 0.000 0.994 385 D CA 0.531 54.522 54.000 -0.014 0.000 0.890 385 D CB 0.179 40.979 40.800 -0.001 0.000 0.906 385 D HN 0.114 nan 8.370 nan 0.000 0.530 386 M N -0.375 119.223 119.600 -0.003 0.000 2.762 386 M HA 0.240 4.720 4.480 -0.000 0.000 0.306 386 M C 0.901 177.138 176.300 -0.106 0.000 1.223 386 M CA -0.757 54.532 55.300 -0.018 0.000 0.896 386 M CB 2.163 34.845 32.600 0.137 0.000 1.684 386 M HN -0.306 nan 8.290 nan 0.000 0.491 387 S N 0.069 115.575 115.700 -0.324 0.000 2.489 387 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 387 S C 1.349 175.777 174.600 -0.287 0.000 0.995 387 S CA 0.881 58.876 58.200 -0.342 0.000 0.934 387 S CB -0.214 62.725 63.200 -0.435 0.000 0.771 387 S HN 0.488 nan 8.310 nan 0.000 0.522 388 F N 2.051 121.973 119.950 -0.046 0.000 2.134 388 F HA -0.002 4.524 4.527 -0.000 0.000 0.299 388 F C -0.517 175.254 175.800 -0.049 0.000 1.097 388 F CA 0.630 58.608 58.000 -0.037 0.000 1.264 388 F CB -2.226 36.755 39.000 -0.032 0.000 1.001 388 F HN 0.170 nan 8.300 nan 0.000 0.479 389 P HA -0.231 nan 4.420 nan 0.000 0.215 389 P C 1.597 178.876 177.300 -0.035 0.000 1.157 389 P CA 1.839 64.931 63.100 -0.013 0.000 0.874 389 P CB -0.181 31.464 31.700 -0.093 0.000 0.790 390 R N -0.040 120.429 120.500 -0.051 0.000 2.073 390 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 390 R C 2.305 178.556 176.300 -0.083 0.000 1.134 390 R CA 1.476 57.532 56.100 -0.073 0.000 0.952 390 R CB -0.988 29.269 30.300 -0.071 0.000 0.850 390 R HN 0.144 nan 8.270 nan 0.000 0.433 391 L N 0.867 122.058 121.223 -0.053 0.000 2.042 391 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 391 L C 2.581 179.443 176.870 -0.014 0.000 1.076 391 L CA 0.763 55.588 54.840 -0.025 0.000 0.749 391 L CB -0.540 41.524 42.059 0.008 0.000 0.893 391 L HN 0.301 nan 8.230 nan 0.000 0.432 392 L N 0.014 121.248 121.223 0.019 0.000 2.017 392 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 392 L C 2.271 179.108 176.870 -0.055 0.000 1.073 392 L CA 1.867 56.715 54.840 0.012 0.000 0.745 392 L CB -0.773 41.311 42.059 0.042 0.000 0.894 392 L HN 0.249 nan 8.230 nan 0.000 0.432 393 N N -0.270 118.382 118.700 -0.081 0.000 2.142 393 N HA -0.185 4.554 4.740 -0.000 0.000 0.186 393 N C 1.728 177.115 175.510 -0.205 0.000 1.023 393 N CA 1.692 54.672 53.050 -0.117 0.000 0.852 393 N CB -0.118 38.308 38.487 -0.102 0.000 0.998 393 N HN 0.563 nan 8.380 nan 0.000 0.424 394 E N 0.632 120.667 120.200 -0.275 0.000 2.077 394 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 394 E C 1.961 178.265 176.600 -0.493 0.000 0.989 394 E CA 0.648 56.758 56.400 -0.483 0.000 0.800 394 E CB -0.034 29.364 29.700 -0.503 0.000 0.746 394 E HN 0.018 nan 8.360 nan 0.000 0.452 395 V N 0.855 120.578 119.914 -0.319 0.000 2.515 395 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 395 V C 1.931 177.815 176.094 -0.349 0.000 1.058 395 V CA 1.166 63.285 62.300 -0.301 0.000 1.064 395 V CB -0.114 31.706 31.823 -0.004 0.000 0.675 395 V HN 0.329 nan 8.190 nan 0.000 0.461 396 M N -1.326 118.119 119.600 -0.259 0.000 2.557 396 M HA -0.092 4.388 4.480 -0.000 0.000 0.259 396 M C 2.195 178.342 176.300 -0.254 0.000 1.086 396 M CA 1.267 56.455 55.300 -0.187 0.000 1.096 396 M CB -2.006 30.522 32.600 -0.121 0.000 1.424 396 M HN 0.620 nan 8.290 nan 0.000 0.488 397 C N 0.004 119.043 119.300 -0.436 0.000 2.435 397 C HA -0.186 4.274 4.460 -0.000 0.000 0.279 397 C C 2.523 177.187 174.990 -0.543 0.000 1.321 397 C CA 0.706 59.420 59.018 -0.506 0.000 1.752 397 C CB -0.980 26.377 27.740 -0.638 0.000 1.959 397 C HN 0.503 nan 8.230 nan 0.000 0.500 398 Y N 2.047 122.113 120.300 -0.391 0.000 2.220 398 Y HA 0.059 4.608 4.550 -0.000 0.000 0.291 398 Y C 0.043 175.958 175.900 0.025 0.000 1.129 398 Y CA 0.959 58.863 58.100 -0.326 0.000 1.161 398 Y CB -2.332 36.021 38.460 -0.179 0.000 0.997 398 Y HN 0.366 nan 8.280 nan 0.000 0.522 399 P HA -0.076 nan 4.420 nan 0.000 0.226 399 P C 1.211 178.556 177.300 0.076 0.000 1.153 399 P CA 1.470 64.626 63.100 0.093 0.000 0.777 399 P CB -0.021 31.697 31.700 0.030 0.000 0.794 400 L N -2.060 119.196 121.223 0.054 0.000 2.316 400 L HA 0.173 4.513 4.340 -0.000 0.000 0.207 400 L C 1.778 178.684 176.870 0.060 0.000 1.070 400 L CA 0.048 54.888 54.840 -0.001 0.000 0.820 400 L CB -0.498 41.507 42.059 -0.090 0.000 0.992 400 L HN -0.031 nan 8.230 nan 0.000 0.466 401 F N -0.793 119.091 119.950 -0.110 0.000 2.291 401 F HA 0.239 4.766 4.527 -0.000 0.000 0.305 401 F C 1.062 176.833 175.800 -0.048 0.000 1.171 401 F CA -0.894 57.035 58.000 -0.118 0.000 1.090 401 F CB 0.188 39.125 39.000 -0.105 0.000 1.436 401 F HN -0.034 nan 8.300 nan 0.000 0.509 402 N N 1.223 119.640 118.700 -0.473 0.000 2.698 402 N HA -0.192 4.548 4.740 -0.000 0.000 0.258 402 N C 0.040 175.463 175.510 -0.145 0.000 0.978 402 N CA 1.007 53.823 53.050 -0.391 0.000 0.777 402 N CB -1.341 36.714 38.487 -0.721 0.000 0.907 402 N HN 1.443 nan 8.380 nan 0.000 0.543 403 G N -0.719 107.985 108.800 -0.160 0.000 3.316 403 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.445 403 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.445 403 G C 0.479 175.340 174.900 -0.064 0.000 1.002 403 G CA 0.047 45.054 45.100 -0.155 0.000 0.818 403 G HN 0.720 nan 8.290 nan 0.000 0.404 404 G N 1.554 110.319 108.800 -0.058 0.000 2.484 404 G HA2 0.348 4.308 3.960 -0.000 0.000 0.235 404 G HA3 0.348 4.308 3.960 -0.000 0.000 0.235 404 G C 1.048 175.944 174.900 -0.008 0.000 1.282 404 G CA 0.316 45.403 45.100 -0.021 0.000 0.857 404 G HN 0.678 nan 8.290 nan 0.000 0.571 405 N N 0.775 119.481 118.700 0.010 0.000 2.120 405 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 405 N C 2.176 177.687 175.510 0.001 0.000 1.024 405 N CA 0.827 53.884 53.050 0.011 0.000 0.852 405 N CB -0.078 38.421 38.487 0.021 0.000 1.003 405 N HN 0.442 nan 8.380 nan 0.000 0.424 406 I N 0.004 120.571 120.570 -0.005 0.000 2.233 406 I HA -0.040 4.129 4.170 -0.000 0.000 0.243 406 I C 2.272 178.385 176.117 -0.007 0.000 1.093 406 I CA 1.189 62.486 61.300 -0.006 0.000 1.380 406 I CB -1.490 36.504 38.000 -0.009 0.000 1.067 406 I HN 0.113 nan 8.210 nan 0.000 0.413 407 G N 0.022 108.816 108.800 -0.010 0.000 2.459 407 G HA2 0.080 4.040 3.960 -0.000 0.000 0.213 407 G HA3 0.080 4.040 3.960 -0.000 0.000 0.213 407 G C 1.743 176.644 174.900 0.002 0.000 1.155 407 G CA 0.125 45.222 45.100 -0.005 0.000 0.811 407 G HN 0.227 nan 8.290 nan 0.000 0.534 408 L N -0.799 120.420 121.223 -0.007 0.000 2.488 408 L HA 0.276 4.616 4.340 -0.000 0.000 0.186 408 L C 2.906 179.775 176.870 -0.002 0.000 1.124 408 L CA -0.075 54.764 54.840 -0.002 0.000 0.838 408 L CB -0.034 42.003 42.059 -0.037 0.000 1.107 408 L HN -0.118 nan 8.230 nan 0.000 0.494 409 R N 0.453 120.949 120.500 -0.008 0.000 2.090 409 R HA -0.023 4.317 4.340 -0.000 0.000 0.228 409 R C 2.179 178.474 176.300 -0.009 0.000 1.110 409 R CA 1.066 57.164 56.100 -0.004 0.000 0.973 409 R CB -0.701 29.602 30.300 0.004 0.000 0.869 409 R HN 0.296 nan 8.270 nan 0.000 0.440 410 R N 0.459 120.954 120.500 -0.009 0.000 2.092 410 R HA 0.024 4.364 4.340 -0.000 0.000 0.231 410 R C 2.218 178.501 176.300 -0.029 0.000 1.119 410 R CA 0.959 57.049 56.100 -0.017 0.000 0.970 410 R CB -0.042 30.251 30.300 -0.011 0.000 0.864 410 R HN 0.105 nan 8.270 nan 0.000 0.440 411 R N 0.802 121.290 120.500 -0.020 0.000 2.073 411 R HA -0.088 4.251 4.340 -0.000 0.000 0.229 411 R C 2.096 178.377 176.300 -0.031 0.000 1.120 411 R CA 1.214 57.299 56.100 -0.024 0.000 0.967 411 R CB -0.546 29.748 30.300 -0.010 0.000 0.862 411 R HN 0.425 nan 8.270 nan 0.000 0.436 412 Q N 0.520 120.310 119.800 -0.017 0.000 2.061 412 Q HA -0.130 4.209 4.340 -0.000 0.000 0.204 412 Q C 2.181 178.147 176.000 -0.056 0.000 0.984 412 Q CA 1.839 57.632 55.803 -0.018 0.000 0.846 412 Q CB -0.182 28.561 28.738 0.008 0.000 0.902 412 Q HN 0.271 nan 8.270 nan 0.000 0.421 413 M N 0.387 119.948 119.600 -0.065 0.000 2.099 413 M HA -0.257 4.222 4.480 -0.000 0.000 0.262 413 M C 2.309 178.517 176.300 -0.154 0.000 1.067 413 M CA 1.664 56.902 55.300 -0.104 0.000 1.124 413 M CB -0.051 32.501 32.600 -0.080 0.000 1.353 413 M HN 0.160 nan 8.290 nan 0.000 0.410 414 Q N 0.279 120.005 119.800 -0.123 0.000 2.096 414 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 414 Q C 2.093 177.998 176.000 -0.158 0.000 0.982 414 Q CA 2.747 58.465 55.803 -0.141 0.000 0.850 414 Q CB -0.172 28.512 28.738 -0.090 0.000 0.901 414 Q HN 0.633 nan 8.270 nan 0.000 0.422 415 R N -0.043 120.386 120.500 -0.119 0.000 2.081 415 R HA -0.086 4.253 4.340 -0.000 0.000 0.235 415 R C 2.232 178.447 176.300 -0.142 0.000 1.131 415 R CA 1.692 57.729 56.100 -0.105 0.000 0.960 415 R CB -1.581 28.679 30.300 -0.067 0.000 0.856 415 R HN 0.255 nan 8.270 nan 0.000 0.436 416 V N 1.124 120.932 119.914 -0.177 0.000 2.307 416 V HA -0.270 3.849 4.120 -0.000 0.000 0.245 416 V C 2.709 178.532 176.094 -0.452 0.000 1.045 416 V CA 2.274 64.447 62.300 -0.212 0.000 1.024 416 V CB -0.505 31.210 31.823 -0.180 0.000 0.651 416 V HN 0.574 nan 8.190 nan 0.000 0.449 417 M N -0.032 119.151 119.600 -0.695 0.000 2.279 417 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 417 M C 2.165 178.129 176.300 -0.561 0.000 1.062 417 M CA 1.974 56.583 55.300 -1.151 0.000 1.099 417 M CB -0.490 31.656 32.600 -0.757 0.000 1.394 417 M HN 0.403 nan 8.290 nan 0.000 0.426 418 A N 0.267 122.908 122.820 -0.298 0.000 2.072 418 A HA 0.199 4.519 4.320 -0.000 0.000 0.216 418 A C 1.063 178.598 177.584 -0.080 0.000 1.156 418 A CA -0.030 51.919 52.037 -0.145 0.000 0.701 418 A CB -0.410 18.524 19.000 -0.110 0.000 0.816 418 A HN 0.334 nan 8.150 nan 0.000 0.458 419 L N 0.362 121.538 121.223 -0.078 0.000 2.543 419 L HA -0.055 4.285 4.340 -0.000 0.000 0.285 419 L C 1.557 178.445 176.870 0.030 0.000 1.236 419 L CA -0.090 54.742 54.840 -0.013 0.000 0.871 419 L CB 0.222 42.285 42.059 0.007 0.000 1.121 419 L HN 0.445 nan 8.230 nan 0.000 0.501 420 E N 1.219 121.435 120.200 0.026 0.000 2.085 420 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 420 E C 0.862 177.491 176.600 0.048 0.000 0.994 420 E CA 1.591 58.011 56.400 0.033 0.000 0.801 420 E CB 0.131 29.842 29.700 0.019 0.000 0.743 420 E HN 0.793 nan 8.360 nan 0.000 0.453 421 D N -0.567 119.863 120.400 0.051 0.000 2.370 421 D HA -0.120 4.520 4.640 -0.000 0.000 0.230 421 D C -0.181 176.158 176.300 0.065 0.000 1.143 421 D CA -0.346 53.680 54.000 0.044 0.000 0.834 421 D CB -1.014 39.804 40.800 0.031 0.000 0.944 421 D HN 0.223 nan 8.370 nan 0.000 0.504 422 Y N 1.890 122.160 120.300 -0.051 0.000 2.650 422 Y HA 0.041 4.591 4.550 -0.000 0.000 0.331 422 Y C -0.096 175.749 175.900 -0.093 0.000 1.165 422 Y CA 0.055 58.107 58.100 -0.080 0.000 1.473 422 Y CB 0.453 38.856 38.460 -0.095 0.000 1.224 422 Y HN -0.087 nan 8.280 nan 0.000 0.533 423 E N 9.190 129.073 120.200 -0.528 0.000 2.183 423 E HA 0.128 4.478 4.350 -0.000 0.000 0.250 423 E C -1.894 174.162 176.600 -0.906 0.000 0.901 423 E CA -1.975 54.085 56.400 -0.567 0.000 0.741 423 E CB 1.068 30.627 29.700 -0.236 0.000 1.182 423 E HN 0.613 nan 8.360 nan 0.000 0.425 424 P HA -0.176 nan 4.420 nan 0.000 0.217 424 P C 0.127 176.857 177.300 -0.949 0.000 1.148 424 P CA 1.358 63.609 63.100 -1.414 0.000 0.828 424 P CB 0.085 30.828 31.700 -1.595 0.000 0.783 425 W N -1.298 119.902 121.300 -0.168 0.000 3.102 425 W HA 0.572 5.232 4.660 0.000 0.000 0.401 425 W C 1.913 178.397 176.519 -0.058 0.000 1.070 425 W CA -0.245 57.062 57.345 -0.064 0.000 1.921 425 W CB -0.413 29.096 29.460 0.081 0.000 1.118 425 W HN -0.115 nan 8.180 nan 0.000 0.647 426 A N 1.000 123.841 122.820 0.036 0.000 2.019 426 A HA -0.044 4.275 4.320 -0.000 0.000 0.219 426 A C 2.152 179.748 177.584 0.021 0.000 1.164 426 A CA 1.968 54.020 52.037 0.025 0.000 0.644 426 A CB -0.587 18.391 19.000 -0.036 0.000 0.805 426 A HN 0.260 nan 8.150 nan 0.000 0.449 427 A N -1.647 121.176 122.820 0.006 0.000 2.167 427 A HA 0.156 4.476 4.320 -0.000 0.000 0.214 427 A C 1.992 179.553 177.584 -0.037 0.000 1.151 427 A CA 1.797 53.827 52.037 -0.013 0.000 0.735 427 A CB -0.378 18.611 19.000 -0.019 0.000 0.802 427 A HN 0.414 nan 8.150 nan 0.000 0.467 428 T N -2.666 111.851 114.554 -0.062 0.000 3.114 428 T HA 0.131 4.481 4.350 -0.000 0.000 0.240 428 T C 1.184 175.722 174.700 -0.271 0.000 0.983 428 T CA 0.700 62.648 62.100 -0.253 0.000 1.151 428 T CB -0.171 68.410 68.868 -0.478 0.000 0.974 428 T HN 0.496 nan 8.240 nan 0.000 0.442 429 Y N 1.322 121.657 120.300 0.058 0.000 2.458 429 Y HA 0.467 5.017 4.550 -0.000 0.000 0.256 429 Y C 1.342 177.260 175.900 0.030 0.000 1.159 429 Y CA -0.147 57.972 58.100 0.032 0.000 1.261 429 Y CB 0.734 39.214 38.460 0.032 0.000 1.119 429 Y HN 0.431 nan 8.280 nan 0.000 0.524 430 G N 0.595 109.480 108.800 0.141 0.000 2.663 430 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 430 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 430 G C -0.717 174.225 174.900 0.070 0.000 1.246 430 G CA -0.370 44.781 45.100 0.085 0.000 0.795 430 G HN 0.188 nan 8.290 nan 0.000 0.627 431 S N 0.000 115.724 115.700 0.040 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.215 58.200 0.024 0.000 1.107 431 S CB 0.000 63.209 63.200 0.015 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517