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 2c12_1_A 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 DGGNIGLRRR 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 0.000 176.020 176.094 -0.123 0.000 1.182 2 V CA 0.000 62.231 62.300 -0.115 0.000 1.235 2 V CB 0.000 31.764 31.823 -0.098 0.000 1.184 3 D N 4.152 124.390 120.400 -0.271 0.000 2.886 3 D HA 0.440 5.080 4.640 -0.000 0.000 0.216 3 D C -0.959 175.137 176.300 -0.340 0.000 1.256 3 D CA -0.217 53.686 54.000 -0.161 0.000 0.844 3 D CB 2.075 42.831 40.800 -0.074 0.000 1.669 3 D HN 0.504 nan 8.370 nan 0.000 0.513 4 F N 1.305 121.315 119.950 0.100 0.000 2.682 4 F HA 0.255 4.782 4.527 -0.000 0.000 0.308 4 F C 1.169 177.076 175.800 0.178 0.000 1.093 4 F CA -0.307 57.800 58.000 0.180 0.000 1.244 4 F CB 0.573 39.677 39.000 0.174 0.000 1.052 4 F HN -0.053 nan 8.300 nan 0.000 0.573 5 K N 2.205 122.738 120.400 0.221 0.000 2.401 5 K HA 0.246 4.566 4.320 -0.000 0.000 0.278 5 K C -0.160 176.495 176.600 0.092 0.000 1.018 5 K CA -0.049 56.329 56.287 0.153 0.000 0.981 5 K CB 0.950 33.509 32.500 0.098 0.000 0.933 5 K HN 0.132 nan 8.250 nan 0.000 0.477 6 L N 2.549 123.821 121.223 0.082 0.000 2.349 6 L HA 0.071 4.411 4.340 -0.000 0.000 0.275 6 L C 1.016 177.884 176.870 -0.002 0.000 1.115 6 L CA -0.348 54.495 54.840 0.005 0.000 0.820 6 L CB 1.136 43.203 42.059 0.013 0.000 1.135 6 L HN 0.761 nan 8.230 nan 0.000 0.445 7 S N 2.501 118.186 115.700 -0.025 0.000 2.600 7 S HA 0.219 4.689 4.470 -0.000 0.000 0.265 7 S C -1.850 172.743 174.600 -0.012 0.000 1.325 7 S CA -1.058 57.140 58.200 -0.004 0.000 1.002 7 S CB 0.862 64.074 63.200 0.020 0.000 0.921 7 S HN 0.428 nan 8.310 nan 0.000 0.554 8 P HA -0.106 nan 4.420 nan 0.000 0.218 8 P C 1.703 179.002 177.300 -0.003 0.000 1.148 8 P CA 1.646 64.750 63.100 0.005 0.000 0.822 8 P CB -0.180 31.529 31.700 0.015 0.000 0.784 9 S N -1.479 114.229 115.700 0.014 0.000 2.436 9 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 9 S C 1.995 176.507 174.600 -0.147 0.000 1.014 9 S CA 0.648 58.870 58.200 0.035 0.000 0.950 9 S CB -0.942 62.366 63.200 0.181 0.000 0.784 9 S HN 0.166 nan 8.310 nan 0.000 0.504 10 Q N 0.773 120.398 119.800 -0.292 0.000 2.083 10 Q HA 0.183 4.523 4.340 -0.000 0.000 0.198 10 Q C 2.170 178.027 176.000 -0.238 0.000 0.969 10 Q CA 1.317 56.802 55.803 -0.531 0.000 0.838 10 Q CB -0.377 28.111 28.738 -0.416 0.000 0.900 10 Q HN 0.528 nan 8.270 nan 0.000 0.436 11 L N 0.392 121.548 121.223 -0.110 0.000 2.093 11 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 11 L C 2.395 179.259 176.870 -0.009 0.000 1.085 11 L CA 1.025 55.845 54.840 -0.032 0.000 0.755 11 L CB -0.229 41.829 42.059 -0.001 0.000 0.904 11 L HN 0.218 nan 8.230 nan 0.000 0.435 12 E N 0.677 120.869 120.200 -0.015 0.000 2.107 12 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 12 E C 2.106 178.738 176.600 0.053 0.000 0.982 12 E CA 1.383 57.798 56.400 0.024 0.000 0.809 12 E CB -0.078 29.633 29.700 0.019 0.000 0.756 12 E HN 0.332 nan 8.360 nan 0.000 0.459 13 A N 0.962 123.781 122.820 -0.001 0.000 1.933 13 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 13 A C 2.304 179.931 177.584 0.072 0.000 1.175 13 A CA 1.767 53.830 52.037 0.044 0.000 0.628 13 A CB -0.616 18.348 19.000 -0.061 0.000 0.814 13 A HN 0.291 nan 8.150 nan 0.000 0.444 14 R N -0.620 119.897 120.500 0.029 0.000 2.062 14 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 14 R C 2.475 178.822 176.300 0.078 0.000 1.136 14 R CA 1.499 57.633 56.100 0.056 0.000 0.948 14 R CB -0.377 29.953 30.300 0.050 0.000 0.845 14 R HN 0.485 nan 8.270 nan 0.000 0.430 15 R N -0.535 120.014 120.500 0.082 0.000 2.094 15 R HA -0.254 4.086 4.340 -0.000 0.000 0.239 15 R C 2.374 178.753 176.300 0.132 0.000 1.137 15 R CA 2.357 58.514 56.100 0.095 0.000 0.943 15 R CB -0.666 29.687 30.300 0.090 0.000 0.850 15 R HN 0.436 nan 8.270 nan 0.000 0.433 16 H N -0.004 119.104 119.070 0.065 0.000 2.352 16 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 16 H C 1.688 177.080 175.328 0.107 0.000 1.097 16 H CA 2.266 58.367 56.048 0.089 0.000 1.311 16 H CB -0.285 29.523 29.762 0.075 0.000 1.377 16 H HN 0.382 nan 8.280 nan 0.000 0.504 17 A N 0.261 123.065 122.820 -0.027 0.000 1.930 17 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 17 A C 2.346 179.942 177.584 0.021 0.000 1.175 17 A CA 1.585 53.592 52.037 -0.049 0.000 0.627 17 A CB -0.485 18.540 19.000 0.042 0.000 0.815 17 A HN 0.640 nan 8.150 nan 0.000 0.443 18 Q N -0.766 119.057 119.800 0.039 0.000 2.046 18 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 18 Q C 2.470 178.482 176.000 0.020 0.000 0.975 18 Q CA 1.322 57.150 55.803 0.041 0.000 0.836 18 Q CB -0.345 28.423 28.738 0.050 0.000 0.896 18 Q HN 0.678 nan 8.270 nan 0.000 0.428 19 A N 0.444 123.280 122.820 0.027 0.000 1.902 19 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 19 A C 1.842 179.414 177.584 -0.021 0.000 1.181 19 A CA 1.133 53.185 52.037 0.026 0.000 0.623 19 A CB -0.756 18.295 19.000 0.085 0.000 0.818 19 A HN 0.463 nan 8.150 nan 0.000 0.443 20 F N 0.967 120.779 119.950 -0.230 0.000 2.134 20 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 20 F C 2.471 178.161 175.800 -0.184 0.000 1.097 20 F CA 1.164 58.962 58.000 -0.337 0.000 1.264 20 F CB -0.406 38.272 39.000 -0.537 0.000 1.001 20 F HN 0.242 nan 8.300 nan 0.000 0.479 21 A N 0.368 123.122 122.820 -0.110 0.000 1.877 21 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 21 A C 2.004 179.481 177.584 -0.178 0.000 1.186 21 A CA 2.091 54.041 52.037 -0.145 0.000 0.620 21 A CB -1.160 17.836 19.000 -0.007 0.000 0.822 21 A HN 0.610 nan 8.150 nan 0.000 0.443 22 N N -0.903 117.729 118.700 -0.114 0.000 2.250 22 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 22 N C 1.825 177.275 175.510 -0.100 0.000 1.017 22 N CA 1.642 54.642 53.050 -0.084 0.000 0.866 22 N CB -0.114 38.349 38.487 -0.039 0.000 0.985 22 N HN 0.686 nan 8.380 nan 0.000 0.429 23 T N -2.430 112.049 114.554 -0.124 0.000 3.009 23 T HA 0.116 4.466 4.350 -0.000 0.000 0.258 23 T C 1.811 176.429 174.700 -0.138 0.000 1.063 23 T CA 0.412 62.454 62.100 -0.096 0.000 1.139 23 T CB -0.144 68.699 68.868 -0.041 0.000 0.890 23 T HN -0.112 nan 8.240 nan 0.000 0.471 24 V N 0.440 120.168 119.914 -0.311 0.000 2.599 24 V HA 0.247 4.367 4.120 -0.000 0.000 0.237 24 V C 2.368 178.348 176.094 -0.191 0.000 1.081 24 V CA 0.281 62.396 62.300 -0.308 0.000 1.107 24 V CB -0.352 31.034 31.823 -0.728 0.000 0.808 24 V HN 0.236 nan 8.190 nan 0.000 0.486 25 L N 1.289 122.278 121.223 -0.390 0.000 2.201 25 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 25 L C 2.726 179.458 176.870 -0.230 0.000 1.105 25 L CA 2.519 57.191 54.840 -0.279 0.000 0.775 25 L CB -1.337 40.581 42.059 -0.234 0.000 0.913 25 L HN 0.630 nan 8.230 nan 0.000 0.440 26 T N -3.760 110.690 114.554 -0.172 0.000 2.929 26 T HA -0.203 4.147 4.350 -0.000 0.000 0.271 26 T C 1.746 176.359 174.700 -0.145 0.000 1.085 26 T CA 0.974 62.993 62.100 -0.135 0.000 1.125 26 T CB -0.275 68.534 68.868 -0.097 0.000 0.874 26 T HN 0.286 nan 8.240 nan 0.000 0.494 27 K N 0.988 121.321 120.400 -0.112 0.000 2.418 27 K HA 0.375 4.695 4.320 -0.000 0.000 0.195 27 K C 2.579 179.051 176.600 -0.213 0.000 1.035 27 K CA 0.513 56.775 56.287 -0.042 0.000 1.003 27 K CB -0.147 32.456 32.500 0.172 0.000 0.793 27 K HN 0.433 nan 8.250 nan 0.000 0.494 28 A N 1.034 123.468 122.820 -0.643 0.000 1.898 28 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 28 A C 2.228 179.443 177.584 -0.615 0.000 1.181 28 A CA 1.824 53.240 52.037 -1.035 0.000 0.620 28 A CB -0.575 17.869 19.000 -0.928 0.000 0.819 28 A HN 0.236 nan 8.150 nan 0.000 0.442 29 S N -0.262 115.037 115.700 -0.668 0.000 2.370 29 S HA -0.097 4.372 4.470 -0.000 0.000 0.226 29 S C 2.143 176.320 174.600 -0.705 0.000 1.033 29 S CA 1.580 59.116 58.200 -1.108 0.000 1.011 29 S CB -0.470 62.381 63.200 -0.582 0.000 0.852 29 S HN 0.841 nan 8.310 nan 0.000 0.457 30 A N 1.007 123.607 122.820 -0.366 0.000 2.024 30 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 30 A C 2.056 179.556 177.584 -0.140 0.000 1.164 30 A CA 1.563 53.480 52.037 -0.200 0.000 0.643 30 A CB -0.386 18.551 19.000 -0.105 0.000 0.806 30 A HN 0.552 nan 8.150 nan 0.000 0.451 31 E N -0.928 119.201 120.200 -0.119 0.000 2.102 31 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 31 E C 1.844 178.466 176.600 0.036 0.000 0.971 31 E CA 1.511 57.923 56.400 0.021 0.000 0.821 31 E CB -0.644 29.183 29.700 0.212 0.000 0.777 31 E HN 0.972 nan 8.360 nan 0.000 0.460 32 Y N -0.383 119.918 120.300 0.001 0.000 2.490 32 Y HA 0.275 4.825 4.550 -0.000 0.000 0.285 32 Y C 2.092 177.997 175.900 0.008 0.000 1.117 32 Y CA 0.551 58.660 58.100 0.014 0.000 1.262 32 Y CB -0.201 38.266 38.460 0.010 0.000 1.043 32 Y HN -0.216 nan 8.280 nan 0.000 0.553 33 S N 0.565 116.193 115.700 -0.121 0.000 2.447 33 S HA -0.142 4.328 4.470 -0.000 0.000 0.233 33 S C 1.839 176.448 174.600 0.014 0.000 1.006 33 S CA 1.623 59.801 58.200 -0.037 0.000 0.957 33 S CB -0.596 62.499 63.200 -0.175 0.000 0.773 33 S HN 0.781 nan 8.310 nan 0.000 0.507 34 T N -0.546 114.013 114.554 0.007 0.000 3.129 34 T HA 0.152 4.502 4.350 -0.000 0.000 0.251 34 T C 0.546 175.269 174.700 0.039 0.000 1.117 34 T CA -0.015 62.094 62.100 0.015 0.000 1.034 34 T CB 0.042 68.911 68.868 0.003 0.000 0.968 34 T HN 0.092 nan 8.240 nan 0.000 0.526 35 Q N 1.618 121.461 119.800 0.071 0.000 2.227 35 Q HA 0.329 4.669 4.340 -0.000 0.000 0.245 35 Q C 1.089 177.130 176.000 0.068 0.000 0.926 35 Q CA -0.375 55.472 55.803 0.074 0.000 0.895 35 Q CB 1.824 30.623 28.738 0.102 0.000 1.230 35 Q HN 0.588 nan 8.270 nan 0.000 0.450 36 K N -0.380 120.053 120.400 0.055 0.000 2.361 36 K HA 0.004 4.324 4.320 -0.000 0.000 0.196 36 K C -0.291 176.338 176.600 0.048 0.000 1.039 36 K CA 0.796 57.109 56.287 0.045 0.000 1.001 36 K CB 0.407 32.928 32.500 0.034 0.000 0.795 36 K HN 0.565 nan 8.250 nan 0.000 0.495 37 D N -1.197 119.238 120.400 0.059 0.000 2.677 37 D HA 0.034 4.674 4.640 -0.000 0.000 0.298 37 D C 0.516 176.862 176.300 0.075 0.000 1.250 37 D CA -0.750 53.285 54.000 0.059 0.000 0.888 37 D CB 0.660 41.490 40.800 0.051 0.000 1.397 37 D HN -0.229 nan 8.370 nan 0.000 0.461 38 Q N -0.584 119.259 119.800 0.072 0.000 2.030 38 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 38 Q C 1.877 177.956 176.000 0.131 0.000 0.986 38 Q CA 1.305 57.158 55.803 0.085 0.000 0.843 38 Q CB -0.340 28.436 28.738 0.064 0.000 0.904 38 Q HN 0.549 nan 8.270 nan 0.000 0.420 39 L N 0.843 122.139 121.223 0.122 0.000 2.012 39 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 39 L C 2.219 179.189 176.870 0.167 0.000 1.073 39 L CA 1.925 56.850 54.840 0.142 0.000 0.748 39 L CB -0.755 41.308 42.059 0.006 0.000 0.891 39 L HN 0.013 nan 8.230 nan 0.000 0.431 40 S N -0.491 115.273 115.700 0.106 0.000 2.382 40 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 40 S C 1.965 176.645 174.600 0.134 0.000 1.027 40 S CA 1.177 59.434 58.200 0.095 0.000 0.991 40 S CB -0.324 62.917 63.200 0.068 0.000 0.823 40 S HN 0.466 nan 8.310 nan 0.000 0.469 41 R N -0.098 120.495 120.500 0.156 0.000 2.096 41 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 41 R C 2.079 178.504 176.300 0.208 0.000 1.127 41 R CA 1.369 57.575 56.100 0.176 0.000 0.968 41 R CB -0.436 29.940 30.300 0.126 0.000 0.861 41 R HN 0.436 nan 8.270 nan 0.000 0.440 42 F N 2.196 122.201 119.950 0.091 0.000 2.113 42 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 42 F C 2.099 178.075 175.800 0.294 0.000 1.103 42 F CA 1.481 59.572 58.000 0.152 0.000 1.248 42 F CB -0.284 38.780 39.000 0.106 0.000 0.999 42 F HN -0.080 nan 8.300 nan 0.000 0.475 43 Q N 0.045 119.892 119.800 0.078 0.000 2.170 43 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 43 Q C 2.250 178.217 176.000 -0.056 0.000 0.976 43 Q CA 1.386 57.172 55.803 -0.029 0.000 0.858 43 Q CB -0.477 28.278 28.738 0.028 0.000 0.907 43 Q HN 0.520 nan 8.270 nan 0.000 0.433 44 A N -0.174 122.682 122.820 0.061 0.000 2.209 44 A HA -0.066 4.254 4.320 -0.000 0.000 0.212 44 A C 1.929 179.645 177.584 0.221 0.000 1.158 44 A CA 1.086 53.194 52.037 0.119 0.000 0.742 44 A CB -0.155 18.951 19.000 0.177 0.000 0.790 44 A HN 0.194 nan 8.150 nan 0.000 0.472 45 T N -1.359 113.302 114.554 0.180 0.000 3.065 45 T HA 0.040 4.390 4.350 -0.000 0.000 0.252 45 T C 1.902 176.741 174.700 0.232 0.000 1.099 45 T CA 0.459 62.744 62.100 0.308 0.000 1.063 45 T CB -0.237 68.775 68.868 0.240 0.000 0.948 45 T HN 0.569 nan 8.240 nan 0.000 0.506 46 R N 1.343 121.723 120.500 -0.200 0.000 2.096 46 R HA -0.098 4.242 4.340 -0.000 0.000 0.240 46 R C -0.971 175.153 176.300 -0.294 0.000 1.139 46 R CA 1.725 57.415 56.100 -0.683 0.000 0.952 46 R CB -0.874 28.697 30.300 -1.214 0.000 0.854 46 R HN 0.289 nan 8.270 nan 0.000 0.436 47 P HA -0.129 nan 4.420 nan 0.000 0.221 47 P C 0.490 177.578 177.300 -0.355 0.000 1.145 47 P CA 1.334 64.230 63.100 -0.341 0.000 0.795 47 P CB -0.047 31.353 31.700 -0.500 0.000 0.775 48 F N -3.262 116.734 119.950 0.078 0.000 2.270 48 F HA -0.013 4.514 4.527 -0.000 0.000 0.295 48 F C 2.415 178.385 175.800 0.284 0.000 1.087 48 F CA 0.636 58.729 58.000 0.155 0.000 1.365 48 F CB -1.260 37.817 39.000 0.129 0.000 1.056 48 F HN -0.148 nan 8.300 nan 0.000 0.506 49 Y N 1.451 121.940 120.300 0.315 0.000 2.224 49 Y HA -0.253 4.297 4.550 -0.000 0.000 0.289 49 Y C 2.738 178.764 175.900 0.210 0.000 1.146 49 Y CA 1.756 60.041 58.100 0.308 0.000 1.182 49 Y CB -0.262 38.452 38.460 0.423 0.000 0.983 49 Y HN -0.047 nan 8.280 nan 0.000 0.524 50 R N 0.621 121.261 120.500 0.233 0.000 2.091 50 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 50 R C 2.002 178.361 176.300 0.098 0.000 1.136 50 R CA 2.002 58.166 56.100 0.106 0.000 0.959 50 R CB -0.509 29.789 30.300 -0.003 0.000 0.856 50 R HN 0.196 nan 8.270 nan 0.000 0.437 51 E N 0.448 120.739 120.200 0.152 0.000 2.077 51 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 51 E C 1.954 178.809 176.600 0.425 0.000 0.989 51 E CA 1.517 58.107 56.400 0.316 0.000 0.800 51 E CB -0.480 29.436 29.700 0.361 0.000 0.746 51 E HN 0.502 nan 8.360 nan 0.000 0.452 52 A N 0.828 123.806 122.820 0.264 0.000 1.908 52 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 52 A C 2.623 180.113 177.584 -0.156 0.000 1.181 52 A CA 1.700 53.614 52.037 -0.205 0.000 0.627 52 A CB -0.721 18.133 19.000 -0.244 0.000 0.818 52 A HN 0.155 nan 8.150 nan 0.000 0.445 53 V N -0.289 119.552 119.914 -0.121 0.000 2.343 53 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 53 V C 2.628 178.723 176.094 0.001 0.000 1.051 53 V CA 2.288 64.543 62.300 -0.076 0.000 1.036 53 V CB -0.761 31.038 31.823 -0.041 0.000 0.654 53 V HN 0.649 nan 8.190 nan 0.000 0.451 54 R N -0.661 119.866 120.500 0.044 0.000 2.120 54 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 54 R C 1.930 178.224 176.300 -0.011 0.000 1.123 54 R CA 1.560 57.669 56.100 0.016 0.000 0.975 54 R CB -0.180 30.126 30.300 0.011 0.000 0.866 54 R HN 0.627 nan 8.270 nan 0.000 0.446 55 H N -1.564 117.519 119.070 0.022 0.000 2.536 55 H HA 0.219 4.775 4.556 -0.000 0.000 0.276 55 H C 0.872 176.225 175.328 0.042 0.000 1.019 55 H CA 0.725 56.817 56.048 0.073 0.000 1.159 55 H CB 0.783 30.592 29.762 0.078 0.000 1.373 55 H HN 0.511 nan 8.280 nan 0.000 0.584 56 G N 0.329 109.173 108.800 0.072 0.000 2.148 56 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.254 56 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.254 56 G C 1.019 175.929 174.900 0.016 0.000 0.981 56 G CA 0.508 45.627 45.100 0.032 0.000 0.670 56 G HN 0.451 nan 8.290 nan 0.000 0.528 57 L N -0.240 120.958 121.223 -0.042 0.000 2.240 57 L HA 0.101 4.441 4.340 -0.000 0.000 0.211 57 L C 2.688 179.528 176.870 -0.050 0.000 1.106 57 L CA 0.484 55.273 54.840 -0.084 0.000 0.793 57 L CB -0.338 41.565 42.059 -0.260 0.000 0.927 57 L HN 0.255 nan 8.230 nan 0.000 0.446 58 I N 0.074 120.614 120.570 -0.049 0.000 2.406 58 I HA -0.209 3.961 4.170 -0.000 0.000 0.249 58 I C 2.453 178.616 176.117 0.077 0.000 1.122 58 I CA 1.249 62.567 61.300 0.029 0.000 1.431 58 I CB -0.819 37.215 38.000 0.057 0.000 1.087 58 I HN 0.253 nan 8.210 nan 0.000 0.424 59 K N 1.361 121.796 120.400 0.059 0.000 2.147 59 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 59 K C 1.935 178.560 176.600 0.042 0.000 1.049 59 K CA 1.335 57.659 56.287 0.061 0.000 0.936 59 K CB 0.055 32.580 32.500 0.041 0.000 0.722 59 K HN 0.239 nan 8.250 nan 0.000 0.446 60 A N 0.464 123.303 122.820 0.032 0.000 2.209 60 A HA -0.060 4.260 4.320 -0.000 0.000 0.212 60 A C 1.504 179.104 177.584 0.026 0.000 1.158 60 A CA 0.614 52.668 52.037 0.028 0.000 0.742 60 A CB -0.084 18.939 19.000 0.039 0.000 0.790 60 A HN 0.298 nan 8.150 nan 0.000 0.472 61 Q N -0.486 119.332 119.800 0.029 0.000 2.432 61 Q HA 0.100 4.440 4.340 -0.000 0.000 0.205 61 Q C 0.034 176.035 176.000 0.001 0.000 0.945 61 Q CA 0.520 56.334 55.803 0.018 0.000 0.924 61 Q CB -0.207 28.544 28.738 0.022 0.000 1.016 61 Q HN 0.396 nan 8.270 nan 0.000 0.503 62 V N 2.749 122.671 119.914 0.013 0.000 2.417 62 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 62 V C -2.287 173.807 176.094 0.000 0.000 1.024 62 V CA -2.240 60.064 62.300 0.007 0.000 0.861 62 V CB 1.566 33.410 31.823 0.035 0.000 0.985 62 V HN -0.041 nan 8.190 nan 0.000 0.436 63 P HA 0.168 nan 4.420 nan 0.000 0.267 63 P C 1.051 178.343 177.300 -0.012 0.000 1.201 63 P CA 0.186 63.275 63.100 -0.018 0.000 0.775 63 P CB 0.711 32.398 31.700 -0.021 0.000 0.854 64 I N 3.663 124.221 120.570 -0.021 0.000 2.208 64 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 64 I C -0.576 175.535 176.117 -0.010 0.000 1.097 64 I CA 1.697 62.987 61.300 -0.017 0.000 1.363 64 I CB -1.697 36.286 38.000 -0.028 0.000 1.051 64 I HN 0.456 nan 8.210 nan 0.000 0.413 65 P HA -0.153 nan 4.420 nan 0.000 0.218 65 P C 1.182 178.482 177.300 0.000 0.000 1.146 65 P CA 1.186 64.281 63.100 -0.007 0.000 0.813 65 P CB 0.055 31.748 31.700 -0.010 0.000 0.778 66 L N -2.339 118.886 121.223 0.004 0.000 2.700 66 L HA 0.388 4.728 4.340 -0.000 0.000 0.234 66 L C 1.562 178.446 176.870 0.024 0.000 1.156 66 L CA 0.699 55.548 54.840 0.015 0.000 0.946 66 L CB -1.145 40.923 42.059 0.015 0.000 1.216 66 L HN 0.150 nan 8.230 nan 0.000 0.493 67 G N -1.460 107.350 108.800 0.017 0.000 2.175 67 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 67 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 67 G C 0.740 175.655 174.900 0.024 0.000 0.982 67 G CA 0.061 45.173 45.100 0.020 0.000 0.641 67 G HN 0.625 nan 8.290 nan 0.000 0.527 68 G N -1.000 107.813 108.800 0.022 0.000 2.543 68 G HA2 0.622 4.582 3.960 -0.000 0.000 0.267 68 G HA3 0.622 4.582 3.960 -0.000 0.000 0.267 68 G C 1.018 175.922 174.900 0.007 0.000 1.406 68 G CA 1.115 46.229 45.100 0.023 0.000 1.048 68 G HN 1.174 nan 8.290 nan 0.000 0.548 69 T N -2.811 111.746 114.554 0.006 0.000 3.043 69 T HA 0.292 4.642 4.350 -0.000 0.000 0.272 69 T C 1.041 175.732 174.700 -0.014 0.000 0.990 69 T CA -0.209 61.888 62.100 -0.005 0.000 0.897 69 T CB -0.163 68.704 68.868 -0.001 0.000 1.111 69 T HN 0.366 nan 8.240 nan 0.000 0.529 70 M N 2.380 121.971 119.600 -0.015 0.000 2.336 70 M HA 0.053 4.533 4.480 -0.000 0.000 0.371 70 M C 0.899 177.147 176.300 -0.086 0.000 1.542 70 M CA 0.783 56.065 55.300 -0.030 0.000 0.959 70 M CB 0.506 33.091 32.600 -0.026 0.000 2.033 70 M HN 0.232 nan 8.290 nan 0.000 0.472 71 E N 2.031 122.139 120.200 -0.155 0.000 2.099 71 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 71 E C 0.139 176.484 176.600 -0.424 0.000 0.962 71 E CA 0.774 56.964 56.400 -0.349 0.000 0.826 71 E CB 0.413 29.750 29.700 -0.604 0.000 0.788 71 E HN 0.845 nan 8.360 nan 0.000 0.461 72 S N -1.278 114.188 115.700 -0.390 0.000 2.615 72 S HA 0.153 4.623 4.470 -0.000 0.000 0.268 72 S C -0.033 174.528 174.600 -0.065 0.000 1.146 72 S CA -0.759 57.316 58.200 -0.208 0.000 0.818 72 S CB 0.665 63.729 63.200 -0.227 0.000 1.111 72 S HN -0.023 nan 8.310 nan 0.000 0.465 73 L N 1.608 122.807 121.223 -0.040 0.000 2.291 73 L HA 0.176 4.516 4.340 -0.000 0.000 0.214 73 L C 2.514 179.376 176.870 -0.012 0.000 1.120 73 L CA 1.214 56.049 54.840 -0.008 0.000 0.799 73 L CB -1.091 40.968 42.059 0.000 0.000 0.925 73 L HN 0.729 nan 8.230 nan 0.000 0.446 74 V N -1.191 118.689 119.914 -0.058 0.000 2.307 74 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 74 V C 2.470 178.493 176.094 -0.118 0.000 1.045 74 V CA 1.386 63.560 62.300 -0.209 0.000 1.024 74 V CB -0.635 30.978 31.823 -0.349 0.000 0.651 74 V HN 0.414 nan 8.190 nan 0.000 0.449 75 H N 0.305 119.276 119.070 -0.166 0.000 2.289 75 H HA -0.233 4.323 4.556 -0.000 0.000 0.294 75 H C 2.287 177.593 175.328 -0.036 0.000 1.095 75 H CA 2.232 58.226 56.048 -0.089 0.000 1.256 75 H CB -0.331 29.397 29.762 -0.057 0.000 1.359 75 H HN 0.500 nan 8.280 nan 0.000 0.487 76 E N 0.250 120.518 120.200 0.114 0.000 2.085 76 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 76 E C 2.295 178.942 176.600 0.079 0.000 0.994 76 E CA 1.565 58.013 56.400 0.081 0.000 0.801 76 E CB -0.165 29.568 29.700 0.055 0.000 0.743 76 E HN 0.303 nan 8.360 nan 0.000 0.453 77 S N -0.198 115.544 115.700 0.071 0.000 2.368 77 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 77 S C 1.938 176.641 174.600 0.170 0.000 1.030 77 S CA 1.284 59.563 58.200 0.130 0.000 0.999 77 S CB -0.318 63.006 63.200 0.206 0.000 0.844 77 S HN 0.300 nan 8.310 nan 0.000 0.459 78 I N 1.129 121.775 120.570 0.127 0.000 2.226 78 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 78 I C 2.016 178.208 176.117 0.124 0.000 1.100 78 I CA 1.148 62.533 61.300 0.142 0.000 1.374 78 I CB -0.344 37.673 38.000 0.029 0.000 1.057 78 I HN 0.245 nan 8.210 nan 0.000 0.413 79 I N 0.384 121.014 120.570 0.100 0.000 2.163 79 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 79 I C 2.398 178.607 176.117 0.154 0.000 1.085 79 I CA 1.535 62.901 61.300 0.109 0.000 1.347 79 I CB -0.312 37.746 38.000 0.096 0.000 1.044 79 I HN 0.194 nan 8.210 nan 0.000 0.408 80 L N 0.134 121.457 121.223 0.165 0.000 2.056 80 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 80 L C 2.599 179.625 176.870 0.260 0.000 1.078 80 L CA 1.401 56.382 54.840 0.235 0.000 0.749 80 L CB -0.709 41.416 42.059 0.111 0.000 0.901 80 L HN 0.333 nan 8.230 nan 0.000 0.433 81 E N 0.302 120.606 120.200 0.173 0.000 2.085 81 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 81 E C 1.996 178.711 176.600 0.192 0.000 0.994 81 E CA 1.232 57.730 56.400 0.163 0.000 0.801 81 E CB 0.202 29.991 29.700 0.149 0.000 0.743 81 E HN 0.383 nan 8.360 nan 0.000 0.453 82 E N 0.212 120.516 120.200 0.174 0.000 2.107 82 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 82 E C 2.112 178.800 176.600 0.146 0.000 0.982 82 E CA 0.432 56.918 56.400 0.143 0.000 0.809 82 E CB -0.114 29.655 29.700 0.115 0.000 0.756 82 E HN 0.252 nan 8.360 nan 0.000 0.459 83 L N -0.317 121.018 121.223 0.187 0.000 2.027 83 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 83 L C 2.143 179.050 176.870 0.063 0.000 1.074 83 L CA 1.421 56.341 54.840 0.134 0.000 0.745 83 L CB -0.819 41.338 42.059 0.164 0.000 0.898 83 L HN 0.046 nan 8.230 nan 0.000 0.433 84 F N -0.702 119.299 119.950 0.085 0.000 2.407 84 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 84 F C 2.340 178.192 175.800 0.088 0.000 1.097 84 F CA 0.740 58.795 58.000 0.092 0.000 1.422 84 F CB -0.797 38.251 39.000 0.081 0.000 1.067 84 F HN 0.051 nan 8.300 nan 0.000 0.539 85 A N -0.589 122.364 122.820 0.221 0.000 2.070 85 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 85 A C 2.165 179.795 177.584 0.076 0.000 1.159 85 A CA 1.954 54.074 52.037 0.138 0.000 0.656 85 A CB -0.744 18.327 19.000 0.119 0.000 0.800 85 A HN 0.210 nan 8.150 nan 0.000 0.453 86 V N -1.558 118.385 119.914 0.048 0.000 2.743 86 V HA 0.189 4.309 4.120 -0.000 0.000 0.237 86 V C 0.383 176.463 176.094 -0.023 0.000 1.113 86 V CA 1.168 63.468 62.300 -0.000 0.000 1.141 86 V CB 0.308 32.121 31.823 -0.017 0.000 0.873 86 V HN 0.564 nan 8.190 nan 0.000 0.486 87 E N -0.620 119.546 120.200 -0.056 0.000 2.454 87 E HA 0.292 4.642 4.350 -0.000 0.000 0.315 87 E C -2.605 173.868 176.600 -0.213 0.000 0.907 87 E CA -1.259 55.093 56.400 -0.080 0.000 0.797 87 E CB 1.892 31.546 29.700 -0.075 0.000 1.396 87 E HN 0.040 nan 8.360 nan 0.000 0.389 88 P HA 0.041 nan 4.420 nan 0.000 0.226 88 P C -0.165 176.963 177.300 -0.285 0.000 1.153 88 P CA 0.808 63.614 63.100 -0.490 0.000 0.777 88 P CB 0.241 31.916 31.700 -0.041 0.000 0.794 89 A N -0.617 122.119 122.820 -0.141 0.000 2.511 89 A HA 0.264 4.584 4.320 -0.000 0.000 0.242 89 A C 1.319 178.901 177.584 -0.004 0.000 1.069 89 A CA 1.177 53.154 52.037 -0.099 0.000 0.763 89 A CB -0.912 17.963 19.000 -0.207 0.000 1.001 89 A HN 0.203 nan 8.150 nan 0.000 0.498 90 T N 1.470 116.105 114.554 0.134 0.000 12.057 90 T HA -0.286 4.064 4.350 -0.000 0.000 0.412 90 T C 1.900 176.744 174.700 0.241 0.000 1.495 90 T CA 2.243 64.520 62.100 0.296 0.000 2.454 90 T CB -1.822 67.262 68.868 0.359 0.000 2.808 90 T HN 0.894 nan 8.240 nan 0.000 0.847 91 S N 0.642 116.365 115.700 0.039 0.000 2.359 91 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 91 S C 1.760 176.440 174.600 0.132 0.000 1.035 91 S CA 1.682 59.847 58.200 -0.058 0.000 1.018 91 S CB -0.378 62.455 63.200 -0.612 0.000 0.876 91 S HN 0.529 nan 8.310 nan 0.000 0.448 92 I N 2.089 122.717 120.570 0.096 0.000 2.264 92 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 92 I C 2.133 178.405 176.117 0.257 0.000 1.111 92 I CA 1.571 63.037 61.300 0.277 0.000 1.382 92 I CB -0.862 37.215 38.000 0.128 0.000 1.060 92 I HN 0.225 nan 8.210 nan 0.000 0.418 93 T N 0.717 115.437 114.554 0.277 0.000 2.746 93 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 93 T C 2.012 176.961 174.700 0.414 0.000 1.039 93 T CA 1.956 64.251 62.100 0.324 0.000 1.142 93 T CB -0.397 68.727 68.868 0.426 0.000 0.866 93 T HN 0.327 nan 8.240 nan 0.000 0.444 94 I N 1.698 122.526 120.570 0.431 0.000 2.179 94 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 94 I C 2.703 178.958 176.117 0.230 0.000 1.088 94 I CA 1.191 62.689 61.300 0.330 0.000 1.357 94 I CB -0.572 37.543 38.000 0.192 0.000 1.051 94 I HN 0.180 nan 8.210 nan 0.000 0.409 95 V N -0.926 119.125 119.914 0.228 0.000 2.548 95 V HA -0.089 4.031 4.120 -0.000 0.000 0.249 95 V C 2.518 178.673 176.094 0.102 0.000 1.055 95 V CA 1.458 63.853 62.300 0.159 0.000 1.065 95 V CB -1.225 30.709 31.823 0.184 0.000 0.681 95 V HN 0.316 nan 8.190 nan 0.000 0.462 96 A N 0.555 123.452 122.820 0.128 0.000 1.930 96 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 96 A C 2.340 179.938 177.584 0.025 0.000 1.175 96 A CA 2.398 54.474 52.037 0.065 0.000 0.627 96 A CB -1.235 17.808 19.000 0.073 0.000 0.815 96 A HN 0.529 nan 8.150 nan 0.000 0.443 97 T N 0.112 114.715 114.554 0.082 0.000 2.788 97 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 97 T C 2.202 176.868 174.700 -0.057 0.000 1.044 97 T CA 1.441 63.570 62.100 0.048 0.000 1.139 97 T CB -0.370 68.638 68.868 0.234 0.000 0.867 97 T HN 0.583 nan 8.240 nan 0.000 0.454 98 A N 1.170 123.981 122.820 -0.013 0.000 1.902 98 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 98 A C 2.295 179.811 177.584 -0.114 0.000 1.181 98 A CA 1.085 53.087 52.037 -0.058 0.000 0.623 98 A CB -0.834 18.158 19.000 -0.014 0.000 0.818 98 A HN 0.468 nan 8.150 nan 0.000 0.443 99 L N -0.655 120.496 121.223 -0.119 0.000 2.017 99 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 99 L C 2.644 179.378 176.870 -0.227 0.000 1.073 99 L CA 1.697 56.417 54.840 -0.201 0.000 0.745 99 L CB -0.913 41.014 42.059 -0.221 0.000 0.894 99 L HN 0.481 nan 8.230 nan 0.000 0.432 100 G N -0.147 108.543 108.800 -0.182 0.000 2.450 100 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 100 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 100 G C 1.547 176.313 174.900 -0.223 0.000 1.130 100 G CA 0.697 45.688 45.100 -0.182 0.000 0.760 100 G HN 0.375 nan 8.290 nan 0.000 0.557 101 L N -0.197 120.870 121.223 -0.260 0.000 2.313 101 L HA 0.122 4.462 4.340 -0.000 0.000 0.214 101 L C 2.994 179.751 176.870 -0.189 0.000 1.119 101 L CA 0.154 54.829 54.840 -0.275 0.000 0.809 101 L CB -0.250 41.615 42.059 -0.323 0.000 0.933 101 L HN 0.210 nan 8.230 nan 0.000 0.449 102 M N 0.009 119.500 119.600 -0.182 0.000 2.117 102 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 102 M C -0.244 175.968 176.300 -0.147 0.000 1.065 102 M CA 2.095 57.302 55.300 -0.155 0.000 1.114 102 M CB -1.453 31.044 32.600 -0.173 0.000 1.361 102 M HN 0.088 nan 8.290 nan 0.000 0.408 103 P HA -0.111 nan 4.420 nan 0.000 0.216 103 P C 1.656 178.880 177.300 -0.127 0.000 1.150 103 P CA 1.206 64.218 63.100 -0.147 0.000 0.837 103 P CB -0.095 31.511 31.700 -0.157 0.000 0.786 104 V N -0.597 119.241 119.914 -0.126 0.000 2.323 104 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 104 V C 2.344 178.402 176.094 -0.059 0.000 1.041 104 V CA 1.437 63.683 62.300 -0.090 0.000 1.025 104 V CB -1.067 30.713 31.823 -0.071 0.000 0.656 104 V HN 0.031 nan 8.190 nan 0.000 0.451 105 I N -0.258 120.272 120.570 -0.067 0.000 2.248 105 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 105 I C 2.186 178.271 176.117 -0.054 0.000 1.107 105 I CA 1.744 63.013 61.300 -0.052 0.000 1.373 105 I CB -0.203 37.760 38.000 -0.062 0.000 1.055 105 I HN 0.269 nan 8.210 nan 0.000 0.418 106 L N 0.158 121.337 121.223 -0.074 0.000 2.341 106 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 106 L C 1.685 178.509 176.870 -0.077 0.000 1.115 106 L CA -0.297 54.495 54.840 -0.080 0.000 0.820 106 L CB -0.369 41.627 42.059 -0.105 0.000 0.944 106 L HN 0.491 nan 8.230 nan 0.000 0.452 107 C N -0.322 118.936 119.300 -0.071 0.000 2.639 107 C HA 0.151 4.611 4.460 -0.000 0.000 0.360 107 C C 1.273 176.237 174.990 -0.044 0.000 1.351 107 C CA -0.489 58.491 59.018 -0.064 0.000 2.408 107 C CB 0.427 28.126 27.740 -0.067 0.000 2.517 107 C HN 0.553 nan 8.230 nan 0.000 0.696 108 D N 0.097 120.474 120.400 -0.038 0.000 2.491 108 D HA 0.146 4.786 4.640 -0.000 0.000 0.228 108 D C 0.106 176.399 176.300 -0.012 0.000 1.183 108 D CA 0.149 54.133 54.000 -0.026 0.000 0.827 108 D CB -0.387 40.396 40.800 -0.028 0.000 0.989 108 D HN 0.541 nan 8.370 nan 0.000 0.494 109 S N 0.668 116.365 115.700 -0.005 0.000 2.532 109 S HA 0.403 4.873 4.470 -0.000 0.000 0.256 109 S C -1.997 172.618 174.600 0.025 0.000 1.298 109 S CA -1.358 56.849 58.200 0.011 0.000 1.166 109 S CB 1.387 64.595 63.200 0.012 0.000 1.022 109 S HN -0.217 nan 8.310 nan 0.000 0.480 110 P HA -0.132 nan 4.420 nan 0.000 0.218 110 P C 1.684 179.008 177.300 0.039 0.000 1.148 110 P CA 1.213 64.329 63.100 0.026 0.000 0.822 110 P CB 0.035 31.745 31.700 0.018 0.000 0.784 111 S N -1.259 114.467 115.700 0.042 0.000 2.368 111 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 111 S C 1.883 176.533 174.600 0.083 0.000 1.029 111 S CA 0.865 59.094 58.200 0.048 0.000 0.988 111 S CB -1.444 61.782 63.200 0.042 0.000 0.838 111 S HN -0.078 nan 8.310 nan 0.000 0.462 112 L N 1.930 123.225 121.223 0.120 0.000 2.017 112 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 112 L C 2.922 179.944 176.870 0.253 0.000 1.073 112 L CA 1.762 56.746 54.840 0.240 0.000 0.745 112 L CB -1.237 40.918 42.059 0.159 0.000 0.894 112 L HN 0.420 nan 8.230 nan 0.000 0.432 113 Q N -1.190 118.691 119.800 0.135 0.000 2.050 113 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 113 Q C 2.188 178.256 176.000 0.113 0.000 0.980 113 Q CA 1.567 57.438 55.803 0.113 0.000 0.840 113 Q CB -0.236 28.536 28.738 0.057 0.000 0.898 113 Q HN 0.445 nan 8.270 nan 0.000 0.424 114 E N 1.266 121.511 120.200 0.075 0.000 2.077 114 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 114 E C 1.878 178.493 176.600 0.024 0.000 0.989 114 E CA 1.157 57.584 56.400 0.046 0.000 0.800 114 E CB 0.057 29.772 29.700 0.024 0.000 0.746 114 E HN 0.194 nan 8.360 nan 0.000 0.452 115 K N -0.621 119.773 120.400 -0.011 0.000 1.984 115 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 115 K C 2.125 178.605 176.600 -0.199 0.000 1.046 115 K CA 1.514 57.698 56.287 -0.172 0.000 0.934 115 K CB -0.258 32.036 32.500 -0.344 0.000 0.717 115 K HN 0.036 nan 8.250 nan 0.000 0.438 116 F N 0.900 120.896 119.950 0.077 0.000 2.512 116 F HA 0.064 4.591 4.527 -0.000 0.000 0.296 116 F C 1.742 177.671 175.800 0.216 0.000 1.110 116 F CA 0.530 58.604 58.000 0.122 0.000 1.446 116 F CB 0.123 39.174 39.000 0.084 0.000 1.092 116 F HN -0.015 nan 8.300 nan 0.000 0.554 117 L N -0.493 120.920 121.223 0.315 0.000 2.558 117 L HA -0.010 4.330 4.340 -0.000 0.000 0.225 117 L C 2.259 179.310 176.870 0.302 0.000 1.128 117 L CA 0.349 55.388 54.840 0.332 0.000 0.868 117 L CB -0.393 41.776 42.059 0.183 0.000 1.006 117 L HN 0.058 nan 8.230 nan 0.000 0.454 118 K N 1.267 121.767 120.400 0.167 0.000 2.032 118 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 118 K C -0.523 176.097 176.600 0.033 0.000 1.048 118 K CA 1.622 57.953 56.287 0.074 0.000 0.927 118 K CB -0.628 31.878 32.500 0.011 0.000 0.712 118 K HN 0.173 nan 8.250 nan 0.000 0.441 119 P HA -0.121 nan 4.420 nan 0.000 0.220 119 P C 0.711 177.857 177.300 -0.257 0.000 1.148 119 P CA 1.224 64.189 63.100 -0.224 0.000 0.803 119 P CB -0.048 31.397 31.700 -0.425 0.000 0.782 120 F N -0.337 119.661 119.950 0.080 0.000 2.558 120 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 120 F C 2.012 177.845 175.800 0.055 0.000 1.119 120 F CA 0.652 58.702 58.000 0.083 0.000 1.451 120 F CB -0.871 38.182 39.000 0.089 0.000 1.091 120 F HN -0.111 nan 8.300 nan 0.000 0.563 121 I N -2.711 117.963 120.570 0.174 0.000 3.956 121 I HA 0.181 4.351 4.170 -0.000 0.000 0.333 121 I C 1.827 177.976 176.117 0.053 0.000 1.302 121 I CA 0.455 61.817 61.300 0.103 0.000 1.122 121 I CB -0.416 37.637 38.000 0.089 0.000 1.013 121 I HN 0.010 nan 8.210 nan 0.000 0.405 122 S N 1.009 116.728 115.700 0.033 0.000 2.461 122 S HA 0.186 4.656 4.470 -0.000 0.000 0.228 122 S C 1.875 176.479 174.600 0.007 0.000 1.005 122 S CA 0.640 58.846 58.200 0.008 0.000 0.942 122 S CB -0.475 62.718 63.200 -0.013 0.000 0.776 122 S HN 0.836 nan 8.310 nan 0.000 0.514 123 G N 1.333 110.141 108.800 0.014 0.000 2.148 123 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 123 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 123 G C -0.201 174.701 174.900 0.004 0.000 0.981 123 G CA 0.467 45.572 45.100 0.008 0.000 0.670 123 G HN 0.906 nan 8.290 nan 0.000 0.528 124 E N 0.174 120.376 120.200 0.003 0.000 2.244 124 E HA 0.586 4.936 4.350 -0.000 0.000 0.266 124 E C 0.860 177.469 176.600 0.014 0.000 0.914 124 E CA 0.355 56.755 56.400 0.001 0.000 0.794 124 E CB 1.578 31.272 29.700 -0.010 0.000 1.210 124 E HN 1.686 nan 8.360 nan 0.000 0.414 125 G N 2.958 111.771 108.800 0.022 0.000 2.645 125 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 125 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 125 G C -0.576 174.402 174.900 0.131 0.000 1.322 125 G CA 0.355 45.483 45.100 0.048 0.000 0.898 125 G HN 0.586 nan 8.290 nan 0.000 0.573 126 E N 1.151 121.482 120.200 0.218 0.000 4.129 126 E HA 0.364 4.714 4.350 -0.000 0.000 0.222 126 E C -2.445 174.498 176.600 0.572 0.000 1.179 126 E CA -1.102 55.600 56.400 0.503 0.000 1.334 126 E CB 1.540 31.463 29.700 0.373 0.000 1.202 126 E HN 0.522 nan 8.360 nan 0.000 0.428 127 P HA 0.118 nan 4.420 nan 0.000 0.276 127 P C -0.501 177.077 177.300 0.463 0.000 1.230 127 P CA -0.107 63.093 63.100 0.167 0.000 0.776 127 P CB 1.221 32.664 31.700 -0.429 0.000 0.888 128 L N 2.243 123.681 121.223 0.357 0.000 2.346 128 L HA 0.737 5.077 4.340 -0.000 0.000 0.276 128 L C 0.336 177.443 176.870 0.395 0.000 1.006 128 L CA -0.841 54.160 54.840 0.268 0.000 0.817 128 L CB 2.026 44.001 42.059 -0.140 0.000 1.272 128 L HN 0.403 nan 8.230 nan 0.000 0.421 129 A N 1.952 124.910 122.820 0.230 0.000 2.350 129 A HA 0.875 5.195 4.320 -0.000 0.000 0.318 129 A C -0.772 176.807 177.584 -0.009 0.000 1.132 129 A CA -0.531 51.532 52.037 0.043 0.000 0.811 129 A CB 2.044 20.890 19.000 -0.257 0.000 1.313 129 A HN 0.525 nan 8.150 nan 0.000 0.454 130 S N -0.087 115.598 115.700 -0.026 0.000 2.543 130 S HA 0.494 4.964 4.470 -0.000 0.000 0.271 130 S C -1.911 172.659 174.600 -0.049 0.000 1.148 130 S CA -0.458 57.724 58.200 -0.030 0.000 0.914 130 S CB 1.188 64.387 63.200 -0.002 0.000 1.096 130 S HN 1.381 nan 8.310 nan 0.000 0.471 131 L N 5.911 127.091 121.223 -0.073 0.000 2.270 131 L HA 0.594 4.934 4.340 -0.000 0.000 0.286 131 L C -0.620 176.257 176.870 0.011 0.000 1.059 131 L CA -0.011 54.778 54.840 -0.085 0.000 0.839 131 L CB 0.235 42.157 42.059 -0.229 0.000 1.221 131 L HN 0.787 nan 8.230 nan 0.000 0.431 132 M N 5.350 124.969 119.600 0.031 0.000 2.435 132 M HA 0.193 4.673 4.480 -0.000 0.000 0.344 132 M C 0.520 176.861 176.300 0.068 0.000 1.329 132 M CA -0.041 55.298 55.300 0.065 0.000 1.320 132 M CB 0.357 33.003 32.600 0.078 0.000 1.309 132 M HN 0.639 nan 8.290 nan 0.000 0.451 133 H N 0.488 119.561 119.070 0.005 0.000 2.373 133 H HA 0.279 4.835 4.556 -0.000 0.000 0.290 133 H C 0.210 175.473 175.328 -0.107 0.000 0.989 133 H CA 0.302 56.301 56.048 -0.081 0.000 1.250 133 H CB 0.727 30.462 29.762 -0.044 0.000 1.477 133 H HN 0.466 nan 8.280 nan 0.000 0.551 134 S N 1.397 117.134 115.700 0.062 0.000 2.573 134 S HA 0.110 4.580 4.470 -0.000 0.000 0.277 134 S C -0.119 174.502 174.600 0.034 0.000 1.346 134 S CA 0.123 58.362 58.200 0.064 0.000 1.034 134 S CB 0.922 64.256 63.200 0.223 0.000 0.879 134 S HN 0.373 nan 8.310 nan 0.000 0.528 135 E N 1.125 121.347 120.200 0.037 0.000 2.393 135 E HA 0.246 4.596 4.350 -0.000 0.000 0.273 135 E C -2.143 174.445 176.600 -0.020 0.000 0.918 135 E CA -2.120 54.264 56.400 -0.027 0.000 0.773 135 E CB 1.236 30.902 29.700 -0.056 0.000 1.275 135 E HN 0.172 nan 8.360 nan 0.000 0.451 136 P HA -0.162 nan 4.420 nan 0.000 0.216 136 P C 0.418 177.700 177.300 -0.030 0.000 1.150 136 P CA 1.509 64.512 63.100 -0.162 0.000 0.843 136 P CB 0.142 31.709 31.700 -0.221 0.000 0.787 137 N N -1.396 117.299 118.700 -0.008 0.000 2.412 137 N HA 0.183 4.923 4.740 -0.000 0.000 0.184 137 N C 0.639 176.170 175.510 0.035 0.000 1.101 137 N CA 0.338 53.398 53.050 0.016 0.000 0.881 137 N CB 0.181 38.677 38.487 0.015 0.000 0.969 137 N HN 0.142 nan 8.380 nan 0.000 0.459 138 G N 0.074 108.901 108.800 0.045 0.000 2.555 138 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 138 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 138 G C 0.102 175.021 174.900 0.031 0.000 1.275 138 G CA -0.194 44.936 45.100 0.049 0.000 0.871 138 G HN 0.125 nan 8.290 nan 0.000 0.603 139 T N -3.046 111.521 114.554 0.023 0.000 3.130 139 T HA 0.598 4.948 4.350 -0.000 0.000 0.288 139 T C 2.007 176.791 174.700 0.140 0.000 0.936 139 T CA 1.287 63.408 62.100 0.034 0.000 0.897 139 T CB 0.701 69.502 68.868 -0.112 0.000 1.178 139 T HN 2.020 nan 8.240 nan 0.000 0.543 140 A N 2.631 125.507 122.820 0.094 0.000 2.019 140 A HA 0.042 4.362 4.320 -0.000 0.000 0.219 140 A C 1.607 179.295 177.584 0.174 0.000 1.164 140 A CA 1.236 53.336 52.037 0.106 0.000 0.644 140 A CB -0.692 18.332 19.000 0.040 0.000 0.805 140 A HN 0.629 nan 8.150 nan 0.000 0.449 141 N N -0.301 118.500 118.700 0.169 0.000 2.273 141 N HA 0.071 4.811 4.740 -0.000 0.000 0.231 141 N C 0.989 176.600 175.510 0.167 0.000 1.134 141 N CA 0.095 53.222 53.050 0.128 0.000 0.856 141 N CB 0.176 38.705 38.487 0.070 0.000 1.068 141 N HN 0.825 nan 8.380 nan 0.000 0.510 142 W N 0.208 121.513 121.300 0.008 0.000 2.425 142 W HA 0.022 4.682 4.660 -0.000 0.000 0.277 142 W C 0.082 176.609 176.519 0.014 0.000 1.231 142 W CA 0.414 57.765 57.345 0.010 0.000 1.248 142 W CB -0.617 28.860 29.460 0.028 0.000 1.117 142 W HN 0.090 nan 8.180 nan 0.000 0.568 143 L N 1.137 122.050 121.223 -0.517 0.000 2.667 143 L HA 0.201 4.541 4.340 -0.000 0.000 0.232 143 L C 1.197 177.917 176.870 -0.249 0.000 1.138 143 L CA 0.008 54.510 54.840 -0.562 0.000 0.921 143 L CB -0.494 41.133 42.059 -0.720 0.000 1.180 143 L HN -0.098 nan 8.230 nan 0.000 0.487 144 Q N 2.490 122.212 119.800 -0.130 0.000 2.281 144 Q HA 0.038 4.378 4.340 -0.000 0.000 0.267 144 Q C 0.038 175.999 176.000 -0.064 0.000 1.053 144 Q CA 0.027 55.786 55.803 -0.073 0.000 0.905 144 Q CB 0.725 29.446 28.738 -0.028 0.000 1.195 144 Q HN 0.084 nan 8.270 nan 0.000 0.398 145 K N 2.758 123.119 120.400 -0.064 0.000 2.416 145 K HA 0.118 4.438 4.320 -0.000 0.000 0.283 145 K C 0.646 177.228 176.600 -0.031 0.000 1.037 145 K CA 1.140 57.397 56.287 -0.050 0.000 0.995 145 K CB 0.106 32.578 32.500 -0.048 0.000 0.938 145 K HN 0.881 nan 8.250 nan 0.000 0.475 146 G N 2.417 111.204 108.800 -0.023 0.000 2.217 146 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 0.385 175.281 174.900 -0.007 0.000 0.990 146 G CA -0.118 44.974 45.100 -0.013 0.000 0.627 146 G HN 0.949 nan 8.290 nan 0.000 0.522 147 G N 0.174 108.970 108.800 -0.007 0.000 2.547 147 G HA2 0.636 4.596 3.960 -0.000 0.000 0.291 147 G HA3 0.636 4.596 3.960 -0.000 0.000 0.291 147 G C -0.324 174.582 174.900 0.011 0.000 1.211 147 G CA -0.147 44.955 45.100 0.004 0.000 0.950 147 G HN 0.112 nan 8.290 nan 0.000 0.504 148 P HA 0.047 nan 4.420 nan 0.000 0.221 148 P C 1.290 178.612 177.300 0.037 0.000 1.150 148 P CA 1.331 64.446 63.100 0.026 0.000 0.800 148 P CB -0.047 31.669 31.700 0.028 0.000 0.787 149 G N 0.535 109.365 108.800 0.051 0.000 2.697 149 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.240 149 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.240 149 G C -0.463 174.495 174.900 0.095 0.000 1.346 149 G CA -0.417 44.733 45.100 0.082 0.000 0.887 149 G HN 0.303 nan 8.290 nan 0.000 0.569 150 L N 0.515 121.812 121.223 0.123 0.000 2.525 150 L HA 0.097 4.437 4.340 -0.000 0.000 0.278 150 L C 1.634 178.527 176.870 0.037 0.000 1.218 150 L CA 0.058 54.937 54.840 0.065 0.000 0.878 150 L CB 0.639 42.730 42.059 0.054 0.000 1.127 150 L HN 0.551 nan 8.230 nan 0.000 0.492 151 Q N 0.886 120.696 119.800 0.017 0.000 2.319 151 Q HA 0.104 4.444 4.340 -0.000 0.000 0.202 151 Q C 0.034 176.047 176.000 0.021 0.000 0.896 151 Q CA 0.256 56.072 55.803 0.022 0.000 0.942 151 Q CB 0.453 29.203 28.738 0.021 0.000 1.083 151 Q HN 0.599 nan 8.270 nan 0.000 0.510 152 T N 2.348 116.905 114.554 0.003 0.000 2.762 152 T HA 0.311 4.661 4.350 -0.000 0.000 0.303 152 T C 0.266 174.956 174.700 -0.016 0.000 0.977 152 T CA -0.191 61.904 62.100 -0.007 0.000 0.961 152 T CB 0.788 69.633 68.868 -0.038 0.000 0.944 152 T HN 0.204 nan 8.240 nan 0.000 0.481 153 T N 0.331 114.887 114.554 0.005 0.000 2.949 153 T HA 0.881 5.231 4.350 -0.000 0.000 0.287 153 T C -0.574 174.147 174.700 0.036 0.000 1.034 153 T CA -1.115 61.002 62.100 0.027 0.000 1.018 153 T CB 1.946 70.843 68.868 0.048 0.000 1.135 153 T HN 0.587 nan 8.240 nan 0.000 0.532 154 A N 1.456 124.334 122.820 0.097 0.000 2.455 154 A HA 0.789 5.109 4.320 -0.000 0.000 0.300 154 A C -0.417 177.357 177.584 0.317 0.000 1.040 154 A CA -1.263 50.893 52.037 0.200 0.000 0.697 154 A CB 1.338 20.453 19.000 0.193 0.000 1.265 154 A HN 1.129 nan 8.150 nan 0.000 0.407 155 R N 1.387 122.046 120.500 0.264 0.000 2.670 155 R HA 0.665 5.005 4.340 -0.000 0.000 0.289 155 R C -0.765 175.470 176.300 -0.107 0.000 0.965 155 R CA -0.808 55.364 56.100 0.120 0.000 0.899 155 R CB 1.779 32.099 30.300 0.033 0.000 1.173 155 R HN 0.532 nan 8.270 nan 0.000 0.456 156 K N 2.180 122.262 120.400 -0.529 0.000 2.312 156 K HA 0.220 4.540 4.320 -0.000 0.000 0.287 156 K C -1.091 175.252 176.600 -0.429 0.000 1.062 156 K CA -0.422 55.304 56.287 -0.935 0.000 0.934 156 K CB 1.081 32.873 32.500 -1.179 0.000 1.027 156 K HN 0.462 nan 8.250 nan 0.000 0.478 157 V N 5.252 124.970 119.914 -0.327 0.000 2.340 157 V HA 0.339 4.459 4.120 -0.000 0.000 0.277 157 V C 0.727 176.734 176.094 -0.145 0.000 1.017 157 V CA 0.033 62.239 62.300 -0.155 0.000 0.820 157 V CB 0.300 32.103 31.823 -0.033 0.000 1.028 157 V HN 1.193 nan 8.190 nan 0.000 0.436 158 G N 4.383 113.088 108.800 -0.160 0.000 2.565 158 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.295 158 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.295 158 G C 0.732 175.528 174.900 -0.173 0.000 1.165 158 G CA 0.767 45.786 45.100 -0.136 0.000 0.977 158 G HN 0.682 nan 8.290 nan 0.000 0.546 159 N N 2.546 121.183 118.700 -0.105 0.000 2.327 159 N HA 0.166 4.906 4.740 -0.000 0.000 0.231 159 N C 0.273 175.804 175.510 0.034 0.000 1.130 159 N CA 0.872 53.883 53.050 -0.066 0.000 0.845 159 N CB -0.136 38.345 38.487 -0.011 0.000 1.073 159 N HN 0.756 nan 8.380 nan 0.000 0.496 160 E N -0.829 119.354 120.200 -0.029 0.000 2.429 160 E HA 0.227 4.577 4.350 -0.000 0.000 0.276 160 E C -1.490 175.071 176.600 -0.064 0.000 0.953 160 E CA -0.931 55.522 56.400 0.089 0.000 0.787 160 E CB 0.692 30.479 29.700 0.144 0.000 1.307 160 E HN -0.022 nan 8.360 nan 0.000 0.458 161 W N 0.646 122.014 121.300 0.113 0.000 2.570 161 W HA 0.535 5.195 4.660 -0.000 0.000 0.337 161 W C -0.843 175.692 176.519 0.026 0.000 1.067 161 W CA -0.620 56.767 57.345 0.071 0.000 1.229 161 W CB 2.026 31.522 29.460 0.060 0.000 1.355 161 W HN 0.247 nan 8.180 nan 0.000 0.555 162 V N 4.683 124.705 119.914 0.180 0.000 2.407 162 V HA 0.389 4.509 4.120 -0.000 0.000 0.291 162 V C -0.175 175.965 176.094 0.076 0.000 1.018 162 V CA -1.000 61.299 62.300 -0.002 0.000 0.842 162 V CB 0.942 32.687 31.823 -0.130 0.000 0.996 162 V HN 0.362 nan 8.190 nan 0.000 0.426 163 I N 3.879 124.501 120.570 0.088 0.000 2.353 163 I HA 0.484 4.654 4.170 -0.000 0.000 0.293 163 I C 0.180 176.352 176.117 0.091 0.000 0.992 163 I CA 0.208 61.524 61.300 0.027 0.000 1.268 163 I CB 1.622 39.509 38.000 -0.188 0.000 1.387 163 I HN 0.582 nan 8.210 nan 0.000 0.478 164 S N 3.893 119.632 115.700 0.066 0.000 2.500 164 S HA 0.938 5.408 4.470 -0.000 0.000 0.301 164 S C 0.076 174.735 174.600 0.098 0.000 1.092 164 S CA -0.622 57.642 58.200 0.106 0.000 1.030 164 S CB 2.077 65.322 63.200 0.074 0.000 1.031 164 S HN 1.127 nan 8.310 nan 0.000 0.483 165 G N 1.976 110.862 108.800 0.145 0.000 2.316 165 G HA2 0.195 4.155 3.960 -0.000 0.000 0.349 165 G HA3 0.195 4.155 3.960 -0.000 0.000 0.349 165 G C -2.117 172.883 174.900 0.166 0.000 1.274 165 G CA -0.957 44.212 45.100 0.114 0.000 1.018 165 G HN 0.638 nan 8.290 nan 0.000 0.486 166 E N -0.073 120.195 120.200 0.113 0.000 2.288 166 E HA 0.625 4.975 4.350 -0.000 0.000 0.268 166 E C -0.770 175.869 176.600 0.065 0.000 0.885 166 E CA -1.074 55.387 56.400 0.102 0.000 0.767 166 E CB 2.222 31.994 29.700 0.121 0.000 1.220 166 E HN 0.296 nan 8.360 nan 0.000 0.427 167 K N 1.598 122.027 120.400 0.048 0.000 2.267 167 K HA 0.607 4.927 4.320 -0.000 0.000 0.246 167 K C -0.953 175.574 176.600 -0.122 0.000 0.954 167 K CA -0.790 55.492 56.287 -0.009 0.000 0.824 167 K CB 1.863 34.397 32.500 0.056 0.000 1.167 167 K HN 0.445 nan 8.250 nan 0.000 0.431 168 L N 1.646 122.766 121.223 -0.172 0.000 2.482 168 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 168 L C -0.909 175.847 176.870 -0.189 0.000 0.957 168 L CA -0.159 54.434 54.840 -0.411 0.000 0.836 168 L CB 1.177 42.793 42.059 -0.738 0.000 1.324 168 L HN 0.922 nan 8.230 nan 0.000 0.406 169 W N 0.928 122.181 121.300 -0.079 0.000 0.689 169 W HA -0.188 4.472 4.660 -0.000 0.000 0.221 169 W C -1.851 174.655 176.519 -0.022 0.000 0.935 169 W CA -0.164 57.158 57.345 -0.039 0.000 0.344 169 W CB -1.899 27.552 29.460 -0.015 0.000 1.932 169 W HN 0.329 nan 8.180 nan 0.000 1.135 170 P HA 0.217 nan 4.420 nan 0.000 0.266 170 P C 0.164 177.489 177.300 0.041 0.000 1.215 170 P CA 0.913 64.079 63.100 0.111 0.000 0.763 170 P CB 1.012 32.761 31.700 0.081 0.000 0.806 171 S N 3.745 119.469 115.700 0.040 0.000 2.549 171 S HA 0.072 4.542 4.470 -0.000 0.000 0.283 171 S C 0.912 175.456 174.600 -0.093 0.000 1.320 171 S CA -0.166 58.015 58.200 -0.033 0.000 1.058 171 S CB -0.352 62.858 63.200 0.016 0.000 0.882 171 S HN 0.518 nan 8.310 nan 0.000 0.498 172 N N 0.207 118.773 118.700 -0.222 0.000 2.965 172 N HA -0.201 4.539 4.740 -0.000 0.000 0.232 172 N C 1.215 176.661 175.510 -0.108 0.000 0.913 172 N CA 1.361 54.276 53.050 -0.226 0.000 0.981 172 N CB -1.972 36.429 38.487 -0.142 0.000 1.077 172 N HN 0.761 nan 8.380 nan 0.000 0.589 173 S N -1.021 114.641 115.700 -0.063 0.000 2.419 173 S HA 0.013 4.483 4.470 -0.000 0.000 0.233 173 S C 1.852 176.494 174.600 0.070 0.000 1.016 173 S CA 1.292 59.498 58.200 0.010 0.000 0.974 173 S CB -0.424 62.780 63.200 0.006 0.000 0.786 173 S HN 0.524 nan 8.310 nan 0.000 0.492 174 G N 0.367 109.208 108.800 0.068 0.000 3.042 174 G HA2 0.494 4.454 3.960 -0.000 0.000 0.212 174 G HA3 0.494 4.454 3.960 -0.000 0.000 0.212 174 G C 0.876 175.926 174.900 0.250 0.000 1.166 174 G CA 0.072 45.292 45.100 0.199 0.000 0.767 174 G HN 1.148 nan 8.290 nan 0.000 0.546 175 G N -0.821 108.044 108.800 0.109 0.000 2.752 175 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.234 175 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.234 175 G C 0.636 175.596 174.900 0.100 0.000 1.367 175 G CA 0.045 45.153 45.100 0.014 0.000 0.879 175 G HN 0.273 nan 8.290 nan 0.000 0.563 176 W N 0.099 121.519 121.300 0.200 0.000 2.465 176 W HA 0.199 4.859 4.660 -0.000 0.000 0.268 176 W C 1.997 178.542 176.519 0.043 0.000 1.242 176 W CA 1.088 58.485 57.345 0.087 0.000 1.248 176 W CB 0.110 29.538 29.460 -0.054 0.000 1.118 176 W HN 0.697 nan 8.180 nan 0.000 0.587 177 D N -3.922 116.637 120.400 0.264 0.000 2.562 177 D HA -0.048 4.592 4.640 -0.000 0.000 0.246 177 D C 0.137 176.556 176.300 0.198 0.000 1.347 177 D CA -0.679 53.407 54.000 0.145 0.000 0.800 177 D CB -1.015 39.878 40.800 0.155 0.000 1.111 177 D HN 0.048 nan 8.370 nan 0.000 0.508 178 Y N 0.685 121.079 120.300 0.156 0.000 4.604 178 Y HA -0.256 4.294 4.550 -0.000 0.000 0.230 178 Y C 0.637 176.655 175.900 0.197 0.000 1.066 178 Y CA 0.083 58.267 58.100 0.141 0.000 1.990 178 Y CB -2.477 36.035 38.460 0.086 0.000 1.619 178 Y HN 0.283 nan 8.280 nan 0.000 0.649 179 K N 0.357 120.937 120.400 0.301 0.000 2.397 179 K HA 0.472 4.792 4.320 -0.000 0.000 0.202 179 K C 1.088 177.742 176.600 0.091 0.000 1.022 179 K CA 0.588 56.988 56.287 0.189 0.000 1.141 179 K CB 0.575 33.159 32.500 0.140 0.000 0.857 179 K HN 0.418 nan 8.250 nan 0.000 0.514 180 G N 1.173 110.071 108.800 0.163 0.000 2.674 180 G HA2 0.015 3.974 3.960 -0.000 0.000 0.686 180 G HA3 0.015 3.974 3.960 -0.000 0.000 0.686 180 G C -0.558 174.405 174.900 0.106 0.000 1.195 180 G CA -0.707 44.450 45.100 0.096 0.000 0.776 180 G HN 0.219 nan 8.290 nan 0.000 0.654 181 A N 0.606 123.487 122.820 0.101 0.000 2.507 181 A HA 0.505 4.825 4.320 -0.000 0.000 0.235 181 A C 1.300 178.964 177.584 0.134 0.000 1.070 181 A CA 1.288 53.378 52.037 0.089 0.000 0.768 181 A CB 0.053 19.104 19.000 0.085 0.000 1.011 181 A HN 0.908 nan 8.150 nan 0.000 0.502 182 D N -0.946 119.560 120.400 0.176 0.000 2.178 182 D HA 0.074 4.714 4.640 -0.000 0.000 0.201 182 D C 0.100 176.579 176.300 0.298 0.000 0.980 182 D CA 1.500 55.623 54.000 0.205 0.000 0.842 182 D CB -0.034 40.852 40.800 0.144 0.000 0.948 182 D HN 0.279 nan 8.370 nan 0.000 0.472 183 L N -0.567 120.864 121.223 0.346 0.000 2.516 183 L HA 0.620 4.960 4.340 -0.000 0.000 0.267 183 L C -1.830 175.114 176.870 0.123 0.000 0.957 183 L CA -0.860 54.138 54.840 0.263 0.000 0.860 183 L CB 1.699 43.956 42.059 0.331 0.000 1.265 183 L HN -0.145 nan 8.230 nan 0.000 0.403 184 A N 3.973 126.840 122.820 0.077 0.000 2.343 184 A HA 0.709 5.029 4.320 -0.000 0.000 0.316 184 A C -0.839 176.730 177.584 -0.025 0.000 1.104 184 A CA -0.461 51.598 52.037 0.036 0.000 0.768 184 A CB 1.094 20.147 19.000 0.088 0.000 1.213 184 A HN 0.767 nan 8.150 nan 0.000 0.456 185 C N 3.116 122.379 119.300 -0.062 0.000 2.203 185 C HA 0.471 4.931 4.460 -0.000 0.000 0.325 185 C C 0.354 175.299 174.990 -0.074 0.000 1.156 185 C CA -0.616 58.340 59.018 -0.104 0.000 1.597 185 C CB -0.792 26.869 27.740 -0.131 0.000 2.148 185 C HN 0.560 nan 8.230 nan 0.000 0.472 186 V N 5.182 125.040 119.914 -0.092 0.000 2.385 186 V HA 0.222 4.342 4.120 -0.000 0.000 0.269 186 V C 0.253 176.268 176.094 -0.131 0.000 1.043 186 V CA -0.161 62.073 62.300 -0.110 0.000 0.906 186 V CB 0.952 32.649 31.823 -0.209 0.000 0.995 186 V HN 0.645 nan 8.190 nan 0.000 0.467 187 V N 4.851 124.712 119.914 -0.090 0.000 2.406 187 V HA 0.352 4.472 4.120 -0.000 0.000 0.272 187 V C 0.190 176.227 176.094 -0.096 0.000 1.043 187 V CA -0.208 62.056 62.300 -0.061 0.000 0.915 187 V CB 0.895 32.730 31.823 0.020 0.000 0.988 187 V HN 1.000 nan 8.190 nan 0.000 0.466 188 C N 4.575 123.832 119.300 -0.071 0.000 2.779 188 C HA 0.656 5.116 4.460 -0.000 0.000 0.314 188 C C 0.230 175.228 174.990 0.014 0.000 1.231 188 C CA -1.091 57.892 59.018 -0.060 0.000 1.652 188 C CB 1.848 29.526 27.740 -0.103 0.000 2.198 188 C HN 0.962 nan 8.230 nan 0.000 0.483 189 R N 1.162 121.684 120.500 0.036 0.000 2.229 189 R HA 0.570 4.910 4.340 -0.000 0.000 0.328 189 R C -1.014 175.324 176.300 0.064 0.000 1.009 189 R CA -0.217 55.921 56.100 0.062 0.000 0.864 189 R CB 0.667 31.010 30.300 0.071 0.000 1.085 189 R HN 0.642 nan 8.270 nan 0.000 0.453 190 V N 3.865 123.826 119.914 0.079 0.000 2.529 190 V HA 0.092 4.212 4.120 -0.000 0.000 0.292 190 V C 0.150 176.312 176.094 0.114 0.000 1.028 190 V CA 0.580 62.966 62.300 0.143 0.000 1.074 190 V CB 1.023 32.958 31.823 0.187 0.000 0.958 190 V HN 0.807 nan 8.190 nan 0.000 0.481 191 S N 2.910 118.682 115.700 0.120 0.000 2.649 191 S HA 0.294 4.763 4.470 -0.000 0.000 0.274 191 S C 0.421 175.063 174.600 0.070 0.000 1.176 191 S CA -0.739 57.508 58.200 0.079 0.000 0.988 191 S CB 1.546 64.782 63.200 0.060 0.000 1.071 191 S HN 0.768 nan 8.310 nan 0.000 0.478 192 D N 2.225 122.654 120.400 0.049 0.000 2.178 192 D HA -0.008 4.632 4.640 -0.000 0.000 0.201 192 D C 0.091 176.405 176.300 0.022 0.000 0.980 192 D CA 1.357 55.372 54.000 0.025 0.000 0.842 192 D CB 0.190 40.996 40.800 0.011 0.000 0.948 192 D HN 0.652 nan 8.370 nan 0.000 0.472 193 D N -1.050 119.366 120.400 0.026 0.000 2.421 193 D HA 0.131 4.771 4.640 -0.000 0.000 0.254 193 D C -2.027 174.290 176.300 0.028 0.000 1.238 193 D CA -1.918 52.095 54.000 0.023 0.000 0.919 193 D CB 1.881 42.691 40.800 0.017 0.000 1.152 193 D HN -0.149 nan 8.370 nan 0.000 0.552 194 P HA -0.086 nan 4.420 nan 0.000 0.226 194 P C 0.989 178.305 177.300 0.028 0.000 1.153 194 P CA 0.568 63.688 63.100 0.034 0.000 0.777 194 P CB 0.158 31.881 31.700 0.038 0.000 0.794 195 S N -1.992 113.722 115.700 0.024 0.000 2.527 195 S HA 0.059 4.529 4.470 -0.000 0.000 0.222 195 S C 0.949 175.560 174.600 0.018 0.000 0.985 195 S CA 0.039 58.251 58.200 0.021 0.000 0.921 195 S CB -0.481 62.730 63.200 0.018 0.000 0.772 195 S HN 0.062 nan 8.310 nan 0.000 0.529 196 K N 2.851 123.262 120.400 0.019 0.000 2.143 196 K HA 0.420 4.740 4.320 -0.000 0.000 0.272 196 K C -2.594 174.017 176.600 0.019 0.000 1.001 196 K CA -2.234 54.064 56.287 0.017 0.000 0.915 196 K CB 0.814 33.324 32.500 0.016 0.000 1.047 196 K HN 0.201 nan 8.250 nan 0.000 0.458 197 P HA -0.017 nan 4.420 nan 0.000 0.274 197 P C -0.866 176.444 177.300 0.017 0.000 1.237 197 P CA -0.390 62.720 63.100 0.017 0.000 0.793 197 P CB 0.538 32.246 31.700 0.013 0.000 0.977 198 Q N 0.844 120.655 119.800 0.018 0.000 2.315 198 Q HA -0.049 4.291 4.340 -0.000 0.000 0.289 198 Q C -0.011 175.995 176.000 0.010 0.000 1.044 198 Q CA 0.066 55.878 55.803 0.016 0.000 0.920 198 Q CB 0.148 28.895 28.738 0.015 0.000 1.214 198 Q HN 0.326 nan 8.270 nan 0.000 0.392 199 D N 5.574 125.979 120.400 0.008 0.000 2.358 199 D HA 0.046 4.686 4.640 -0.000 0.000 0.258 199 D C -1.685 174.614 176.300 -0.001 0.000 1.223 199 D CA -1.911 52.091 54.000 0.004 0.000 0.886 199 D CB 1.169 41.972 40.800 0.006 0.000 1.120 199 D HN 0.400 nan 8.370 nan 0.000 0.482 200 P HA -0.095 nan 4.420 nan 0.000 0.231 200 P C 0.623 177.917 177.300 -0.010 0.000 1.158 200 P CA 0.663 63.759 63.100 -0.007 0.000 0.763 200 P CB 0.264 31.961 31.700 -0.005 0.000 0.805 201 N N -0.339 118.357 118.700 -0.008 0.000 2.236 201 N HA 0.070 4.810 4.740 -0.000 0.000 0.196 201 N C -0.327 175.177 175.510 -0.011 0.000 1.114 201 N CA -0.069 52.975 53.050 -0.009 0.000 0.859 201 N CB 0.926 39.410 38.487 -0.005 0.000 0.982 201 N HN -0.030 nan 8.380 nan 0.000 0.493 202 V N 0.738 120.645 119.914 -0.012 0.000 2.495 202 V HA 0.270 4.390 4.120 -0.000 0.000 0.298 202 V C -0.983 175.094 176.094 -0.027 0.000 1.031 202 V CA -0.759 61.532 62.300 -0.015 0.000 0.871 202 V CB 1.762 33.581 31.823 -0.006 0.000 0.988 202 V HN 0.002 nan 8.190 nan 0.000 0.432 203 D N 7.172 127.551 120.400 -0.035 0.000 2.401 203 D HA 0.295 4.935 4.640 -0.000 0.000 0.254 203 D C -1.658 174.598 176.300 -0.073 0.000 1.192 203 D CA -1.461 52.505 54.000 -0.056 0.000 0.885 203 D CB 1.893 42.661 40.800 -0.054 0.000 1.147 203 D HN 0.399 nan 8.370 nan 0.000 0.478 204 P HA -0.158 nan 4.420 nan 0.000 0.217 204 P C 0.880 178.084 177.300 -0.160 0.000 1.148 204 P CA 1.594 64.621 63.100 -0.121 0.000 0.828 204 P CB 0.119 31.718 31.700 -0.168 0.000 0.783 205 A N -0.538 122.162 122.820 -0.200 0.000 2.019 205 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 205 A C 2.114 179.639 177.584 -0.099 0.000 1.164 205 A CA 2.131 54.048 52.037 -0.199 0.000 0.644 205 A CB -1.849 17.034 19.000 -0.195 0.000 0.805 205 A HN 0.351 nan 8.150 nan 0.000 0.449 206 T N -3.423 111.090 114.554 -0.069 0.000 3.072 206 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 206 T C 1.216 175.909 174.700 -0.011 0.000 1.127 206 T CA 1.068 63.148 62.100 -0.033 0.000 1.107 206 T CB -0.061 68.794 68.868 -0.022 0.000 0.910 206 T HN 0.379 nan 8.240 nan 0.000 0.513 207 Q N 0.400 120.193 119.800 -0.013 0.000 2.198 207 Q HA 0.340 4.680 4.340 -0.000 0.000 0.209 207 Q C -0.111 175.904 176.000 0.025 0.000 0.848 207 Q CA -0.179 55.634 55.803 0.017 0.000 0.974 207 Q CB 0.393 29.144 28.738 0.022 0.000 1.115 207 Q HN 0.490 nan 8.270 nan 0.000 0.494 208 I N 1.350 121.931 120.570 0.019 0.000 2.441 208 I HA 0.362 4.532 4.170 -0.000 0.000 0.287 208 I C 0.308 176.421 176.117 -0.006 0.000 1.049 208 I CA -0.663 60.672 61.300 0.059 0.000 1.381 208 I CB 0.538 38.617 38.000 0.131 0.000 1.409 208 I HN -0.112 nan 8.210 nan 0.000 0.523 209 A N 6.580 129.366 122.820 -0.057 0.000 2.413 209 A HA 0.820 5.140 4.320 -0.000 0.000 0.307 209 A C -0.972 176.508 177.584 -0.174 0.000 1.087 209 A CA -0.529 51.395 52.037 -0.187 0.000 0.750 209 A CB 1.773 20.535 19.000 -0.397 0.000 1.296 209 A HN 0.375 nan 8.150 nan 0.000 0.423 210 V N 2.256 122.042 119.914 -0.214 0.000 2.444 210 V HA 0.427 4.547 4.120 -0.000 0.000 0.294 210 V C -0.576 175.354 176.094 -0.273 0.000 1.022 210 V CA -0.182 62.002 62.300 -0.195 0.000 0.850 210 V CB 1.075 32.813 31.823 -0.142 0.000 0.992 210 V HN 0.721 nan 8.190 nan 0.000 0.426 211 L N 5.446 126.513 121.223 -0.260 0.000 2.313 211 L HA 0.508 4.848 4.340 -0.000 0.000 0.283 211 L C -0.839 175.916 176.870 -0.191 0.000 1.013 211 L CA -0.794 53.894 54.840 -0.253 0.000 0.816 211 L CB 1.740 43.663 42.059 -0.226 0.000 1.236 211 L HN 0.371 nan 8.230 nan 0.000 0.419 212 L N 4.850 125.934 121.223 -0.231 0.000 2.313 212 L HA 0.355 4.695 4.340 -0.000 0.000 0.282 212 L C -0.077 176.752 176.870 -0.069 0.000 1.092 212 L CA 0.069 54.752 54.840 -0.262 0.000 0.831 212 L CB 1.259 42.923 42.059 -0.658 0.000 1.159 212 L HN 0.210 nan 8.230 nan 0.000 0.442 213 V N 2.905 122.834 119.914 0.025 0.000 2.444 213 V HA 0.635 4.755 4.120 -0.000 0.000 0.294 213 V C 0.300 176.493 176.094 0.164 0.000 1.022 213 V CA -0.619 61.775 62.300 0.157 0.000 0.850 213 V CB 1.941 33.883 31.823 0.199 0.000 0.992 213 V HN 0.917 nan 8.190 nan 0.000 0.426 214 T N 1.788 116.465 114.554 0.205 0.000 2.919 214 T HA 0.487 4.837 4.350 -0.000 0.000 0.282 214 T C 1.054 175.829 174.700 0.126 0.000 1.020 214 T CA -0.710 61.504 62.100 0.190 0.000 0.994 214 T CB 1.615 70.628 68.868 0.241 0.000 1.180 214 T HN 0.426 nan 8.240 nan 0.000 0.566 215 R N 0.063 120.623 120.500 0.100 0.000 2.096 215 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 215 R C 2.454 178.792 176.300 0.063 0.000 1.127 215 R CA 1.552 57.688 56.100 0.060 0.000 0.968 215 R CB -0.302 30.040 30.300 0.071 0.000 0.861 215 R HN 0.773 nan 8.270 nan 0.000 0.440 216 E N 0.156 120.402 120.200 0.078 0.000 2.085 216 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 216 E C 1.535 178.179 176.600 0.074 0.000 0.994 216 E CA 1.789 58.229 56.400 0.067 0.000 0.801 216 E CB 0.111 29.849 29.700 0.063 0.000 0.743 216 E HN 0.305 nan 8.360 nan 0.000 0.453 217 T N 1.256 115.878 114.554 0.113 0.000 2.720 217 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 217 T C 1.951 176.717 174.700 0.111 0.000 1.037 217 T CA 1.405 63.577 62.100 0.119 0.000 1.144 217 T CB -0.197 68.811 68.868 0.234 0.000 0.864 217 T HN 0.176 nan 8.240 nan 0.000 0.444 218 I N 1.252 121.928 120.570 0.176 0.000 2.286 218 I HA -0.096 4.074 4.170 -0.000 0.000 0.245 218 I C 2.901 179.074 176.117 0.093 0.000 1.104 218 I CA 1.003 62.411 61.300 0.179 0.000 1.397 218 I CB -0.435 37.468 38.000 -0.161 0.000 1.072 218 I HN 0.180 nan 8.210 nan 0.000 0.417 219 A N 0.695 123.548 122.820 0.055 0.000 2.019 219 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 219 A C 1.832 179.435 177.584 0.032 0.000 1.164 219 A CA 1.622 53.687 52.037 0.047 0.000 0.644 219 A CB -0.560 18.465 19.000 0.042 0.000 0.805 219 A HN 0.411 nan 8.150 nan 0.000 0.449 220 N N 0.571 119.279 118.700 0.013 0.000 2.461 220 N HA 0.019 4.759 4.740 -0.000 0.000 0.188 220 N C -0.114 175.370 175.510 -0.043 0.000 1.134 220 N CA 0.209 53.251 53.050 -0.013 0.000 0.878 220 N CB -0.110 38.366 38.487 -0.019 0.000 0.972 220 N HN 0.489 nan 8.380 nan 0.000 0.456 221 N N 0.696 119.370 118.700 -0.043 0.000 2.459 221 N HA 0.188 4.928 4.740 -0.000 0.000 0.288 221 N C -0.146 175.401 175.510 0.062 0.000 1.186 221 N CA -0.426 52.604 53.050 -0.033 0.000 0.917 221 N CB 1.701 40.095 38.487 -0.155 0.000 1.219 221 N HN -0.101 nan 8.380 nan 0.000 0.525 222 K N 1.098 121.549 120.400 0.085 0.000 2.414 222 K HA -0.005 4.315 4.320 -0.000 0.000 0.272 222 K C 1.291 177.973 176.600 0.137 0.000 0.993 222 K CA -0.058 56.288 56.287 0.098 0.000 0.964 222 K CB 0.963 33.521 32.500 0.096 0.000 0.925 222 K HN 0.331 nan 8.250 nan 0.000 0.487 223 K N 1.914 122.381 120.400 0.112 0.000 2.063 223 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 223 K C 1.123 177.802 176.600 0.132 0.000 1.048 223 K CA 1.998 58.358 56.287 0.122 0.000 0.928 223 K CB -0.101 32.451 32.500 0.087 0.000 0.713 223 K HN 0.724 nan 8.250 nan 0.000 0.442 224 D N -0.535 119.928 120.400 0.105 0.000 2.363 224 D HA -0.040 4.600 4.640 -0.000 0.000 0.226 224 D C 1.278 177.647 176.300 0.114 0.000 1.020 224 D CA 0.518 54.567 54.000 0.081 0.000 0.892 224 D CB 0.013 40.845 40.800 0.054 0.000 0.900 224 D HN 0.060 nan 8.370 nan 0.000 0.531 225 A N -0.679 122.263 122.820 0.203 0.000 2.067 225 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 225 A C 0.288 178.102 177.584 0.382 0.000 1.156 225 A CA 0.348 52.577 52.037 0.320 0.000 0.683 225 A CB -0.426 18.817 19.000 0.406 0.000 0.808 225 A HN 0.370 nan 8.150 nan 0.000 0.455 226 Y N 0.380 120.736 120.300 0.093 0.000 2.333 226 Y HA 0.501 5.051 4.550 -0.000 0.000 0.324 226 Y C -0.950 174.841 175.900 -0.181 0.000 1.033 226 Y CA -0.709 57.282 58.100 -0.182 0.000 1.224 226 Y CB 0.873 39.242 38.460 -0.151 0.000 1.120 226 Y HN 0.262 nan 8.280 nan 0.000 0.457 227 Q N 6.286 125.803 119.800 -0.471 0.000 2.337 227 Q HA 0.492 4.832 4.340 -0.000 0.000 0.270 227 Q C -1.172 174.471 176.000 -0.595 0.000 1.043 227 Q CA -1.191 54.376 55.803 -0.395 0.000 0.794 227 Q CB 2.674 31.259 28.738 -0.254 0.000 1.281 227 Q HN 0.524 nan 8.270 nan 0.000 0.446 228 I N 3.690 123.934 120.570 -0.544 0.000 2.337 228 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 228 I C 0.880 176.736 176.117 -0.435 0.000 1.046 228 I CA 0.209 61.141 61.300 -0.614 0.000 1.324 228 I CB 0.342 37.782 38.000 -0.933 0.000 1.409 228 I HN 0.752 nan 8.210 nan 0.000 0.494 229 L N 5.329 126.280 121.223 -0.454 0.000 2.446 229 L HA 0.334 4.674 4.340 -0.000 0.000 0.219 229 L C 1.013 177.714 176.870 -0.280 0.000 1.116 229 L CA 0.151 54.747 54.840 -0.407 0.000 0.844 229 L CB -0.009 41.644 42.059 -0.675 0.000 0.970 229 L HN 0.834 nan 8.230 nan 0.000 0.457 230 G N -0.157 108.501 108.800 -0.238 0.000 2.338 230 G HA2 0.352 4.312 3.960 -0.000 0.000 0.295 230 G HA3 0.352 4.312 3.960 -0.000 0.000 0.295 230 G C -1.940 172.896 174.900 -0.108 0.000 1.461 230 G CA -0.497 44.531 45.100 -0.120 0.000 0.817 230 G HN -0.135 nan 8.290 nan 0.000 0.556 231 E N 0.673 120.846 120.200 -0.045 0.000 2.316 231 E HA 0.611 4.961 4.350 -0.000 0.000 0.254 231 E C -2.508 174.064 176.600 -0.046 0.000 0.902 231 E CA -1.533 54.853 56.400 -0.024 0.000 0.801 231 E CB 1.761 31.524 29.700 0.106 0.000 1.270 231 E HN 0.313 nan 8.360 nan 0.000 0.414 232 P HA 0.034 nan 4.420 nan 0.000 0.265 232 P C -0.791 176.508 177.300 -0.001 0.000 1.193 232 P CA 0.092 63.134 63.100 -0.096 0.000 0.765 232 P CB 0.548 32.119 31.700 -0.215 0.000 0.823 233 E N 3.153 123.362 120.200 0.015 0.000 2.105 233 E HA 0.188 4.538 4.350 -0.000 0.000 0.285 233 E C -0.014 176.616 176.600 0.048 0.000 1.055 233 E CA -0.145 56.274 56.400 0.031 0.000 0.843 233 E CB 0.445 30.159 29.700 0.023 0.000 1.067 233 E HN 0.401 nan 8.360 nan 0.000 0.398 234 L N 1.256 122.511 121.223 0.053 0.000 2.379 234 L HA 0.305 4.645 4.340 -0.000 0.000 0.269 234 L C 1.596 178.463 176.870 -0.005 0.000 1.084 234 L CA -0.517 54.355 54.840 0.053 0.000 0.802 234 L CB 1.087 43.185 42.059 0.065 0.000 1.175 234 L HN 0.502 nan 8.230 nan 0.000 0.448 235 A N 2.112 124.912 122.820 -0.033 0.000 1.902 235 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 235 A C 0.979 178.492 177.584 -0.118 0.000 1.181 235 A CA 1.640 53.635 52.037 -0.070 0.000 0.623 235 A CB -0.463 18.486 19.000 -0.085 0.000 0.818 235 A HN 0.848 nan 8.150 nan 0.000 0.443 236 G N -4.667 104.016 108.800 -0.194 0.000 2.949 236 G HA2 0.468 4.428 3.960 -0.000 0.000 0.285 236 G HA3 0.468 4.428 3.960 -0.000 0.000 0.285 236 G C -0.663 174.047 174.900 -0.316 0.000 1.395 236 G CA -0.136 44.782 45.100 -0.303 0.000 0.901 236 G HN 0.417 nan 8.290 nan 0.000 0.519 237 H N -0.884 118.130 119.070 -0.093 0.000 2.604 237 H HA -0.165 4.391 4.556 -0.000 0.000 0.321 237 H C 1.625 176.911 175.328 -0.070 0.000 1.132 237 H CA 0.995 56.998 56.048 -0.074 0.000 1.129 237 H CB -1.567 28.165 29.762 -0.051 0.000 1.526 237 H HN 0.725 nan 8.280 nan 0.000 0.415 238 I N -2.288 118.265 120.570 -0.030 0.000 3.334 238 I HA -0.055 4.115 4.170 -0.000 0.000 0.282 238 I C 1.773 177.860 176.117 -0.050 0.000 1.313 238 I CA 1.436 62.717 61.300 -0.032 0.000 1.396 238 I CB 0.053 38.038 38.000 -0.025 0.000 1.054 238 I HN 0.284 nan 8.210 nan 0.000 0.495 239 T N -2.803 111.686 114.554 -0.108 0.000 3.105 239 T HA 0.136 4.486 4.350 -0.000 0.000 0.253 239 T C 0.773 175.553 174.700 0.133 0.000 1.047 239 T CA -0.100 61.967 62.100 -0.055 0.000 0.944 239 T CB -0.336 68.357 68.868 -0.292 0.000 1.016 239 T HN 0.295 nan 8.240 nan 0.000 0.544 240 T N 1.544 116.130 114.554 0.055 0.000 2.899 240 T HA 0.532 4.882 4.350 -0.000 0.000 0.284 240 T C -0.417 174.123 174.700 -0.267 0.000 1.004 240 T CA -0.393 61.672 62.100 -0.059 0.000 1.043 240 T CB 1.269 70.141 68.868 0.006 0.000 1.013 240 T HN 0.309 nan 8.240 nan 0.000 0.518 241 S N 1.098 116.361 115.700 -0.729 0.000 2.472 241 S HA 0.723 5.193 4.470 -0.000 0.000 0.303 241 S C -0.061 174.351 174.600 -0.314 0.000 1.099 241 S CA -0.295 57.556 58.200 -0.581 0.000 1.077 241 S CB 0.951 63.564 63.200 -0.979 0.000 1.031 241 S HN 1.023 nan 8.310 nan 0.000 0.487 242 G N 4.994 113.713 108.800 -0.135 0.000 4.220 242 G HA2 0.355 4.315 3.960 -0.000 0.000 0.256 242 G HA3 0.355 4.315 3.960 -0.000 0.000 0.256 242 G C -3.180 171.661 174.900 -0.098 0.000 1.520 242 G CA -0.750 44.320 45.100 -0.050 0.000 0.608 242 G HN 0.545 nan 8.290 nan 0.000 0.415 243 P HA 0.137 nan 4.420 nan 0.000 0.279 243 P C -0.773 176.390 177.300 -0.228 0.000 1.282 243 P CA -0.292 62.684 63.100 -0.206 0.000 0.788 243 P CB 1.027 32.539 31.700 -0.313 0.000 1.139 244 H N -0.639 118.212 119.070 -0.366 0.000 2.690 244 H HA 0.326 4.882 4.556 -0.000 0.000 0.289 244 H C -0.689 174.400 175.328 -0.398 0.000 1.089 244 H CA -0.408 55.426 56.048 -0.358 0.000 1.299 244 H CB 0.087 29.654 29.762 -0.325 0.000 1.405 244 H HN 0.190 nan 8.280 nan 0.000 0.463 245 T N 5.718 120.164 114.554 -0.180 0.000 2.855 245 T HA 0.283 4.633 4.350 -0.000 0.000 0.281 245 T C -0.288 174.166 174.700 -0.409 0.000 1.007 245 T CA -0.792 61.014 62.100 -0.490 0.000 1.009 245 T CB 1.460 69.935 68.868 -0.656 0.000 0.983 245 T HN 0.584 nan 8.240 nan 0.000 0.455 246 R N 2.189 122.359 120.500 -0.550 0.000 2.439 246 R HA 0.479 4.819 4.340 -0.000 0.000 0.310 246 R C -1.506 174.530 176.300 -0.441 0.000 0.955 246 R CA -0.634 55.257 56.100 -0.349 0.000 0.853 246 R CB 0.598 30.745 30.300 -0.255 0.000 1.171 246 R HN 0.488 nan 8.270 nan 0.000 0.449 247 F N 2.196 122.069 119.950 -0.128 0.000 2.410 247 F HA 0.314 4.841 4.527 -0.000 0.000 0.349 247 F C 0.305 176.123 175.800 0.030 0.000 1.117 247 F CA -0.202 57.769 58.000 -0.049 0.000 1.104 247 F CB 2.231 41.203 39.000 -0.047 0.000 1.122 247 F HN 0.284 nan 8.300 nan 0.000 0.483 248 T N 3.709 118.410 114.554 0.245 0.000 2.864 248 T HA 0.204 4.554 4.350 -0.000 0.000 0.299 248 T C -0.464 174.353 174.700 0.196 0.000 1.011 248 T CA -0.750 61.453 62.100 0.171 0.000 0.975 248 T CB 0.958 69.886 68.868 0.100 0.000 0.962 248 T HN 0.500 nan 8.240 nan 0.000 0.448 249 E N 1.282 121.561 120.200 0.131 0.000 2.269 249 E HA -0.215 4.135 4.350 -0.000 0.000 0.223 249 E C -0.609 175.980 176.600 -0.018 0.000 1.244 249 E CA 0.410 56.825 56.400 0.024 0.000 0.713 249 E CB -1.132 28.596 29.700 0.046 0.000 1.178 249 E HN 0.697 nan 8.360 nan 0.000 0.370 250 F N 1.988 121.921 119.950 -0.028 0.000 2.390 250 F HA 0.147 4.674 4.527 -0.000 0.000 0.361 250 F C 0.907 176.683 175.800 -0.041 0.000 1.124 250 F CA -0.545 57.502 58.000 0.078 0.000 1.149 250 F CB 0.477 39.685 39.000 0.346 0.000 1.160 250 F HN -0.018 nan 8.300 nan 0.000 0.501 251 H N 5.678 124.558 119.070 -0.317 0.000 2.646 251 H HA 0.424 4.980 4.556 -0.000 0.000 0.325 251 H C -0.577 174.629 175.328 -0.203 0.000 1.075 251 H CA -0.267 55.679 56.048 -0.170 0.000 1.421 251 H CB 1.485 31.168 29.762 -0.132 0.000 1.461 251 H HN 0.334 nan 8.280 nan 0.000 0.525 252 V N 6.080 126.074 119.914 0.133 0.000 2.638 252 V HA 0.214 4.334 4.120 -0.000 0.000 0.306 252 V C -2.193 174.037 176.094 0.227 0.000 1.052 252 V CA -2.036 60.365 62.300 0.167 0.000 0.885 252 V CB 2.142 34.096 31.823 0.217 0.000 0.999 252 V HN 0.625 nan 8.190 nan 0.000 0.424 253 P HA 0.098 nan 4.420 nan 0.000 0.269 253 P C 0.474 177.953 177.300 0.298 0.000 1.209 253 P CA 0.131 63.358 63.100 0.212 0.000 0.776 253 P CB 0.506 32.303 31.700 0.161 0.000 0.876 254 H N 2.745 121.969 119.070 0.257 0.000 2.421 254 H HA -0.164 4.392 4.556 -0.000 0.000 0.298 254 H C 1.527 176.989 175.328 0.224 0.000 1.087 254 H CA 2.050 58.304 56.048 0.345 0.000 1.330 254 H CB 0.016 29.933 29.762 0.258 0.000 1.388 254 H HN 0.539 nan 8.280 nan 0.000 0.526 255 E N -0.600 119.676 120.200 0.127 0.000 2.472 255 E HA -0.141 4.209 4.350 -0.000 0.000 0.200 255 E C 1.037 177.679 176.600 0.070 0.000 1.046 255 E CA 0.913 57.355 56.400 0.071 0.000 0.871 255 E CB -0.202 29.577 29.700 0.133 0.000 0.806 255 E HN 0.603 nan 8.360 nan 0.000 0.533 256 N N 0.454 119.188 118.700 0.057 0.000 2.336 256 N HA 0.059 4.799 4.740 -0.000 0.000 0.189 256 N C -0.295 175.108 175.510 -0.178 0.000 1.113 256 N CA -0.323 52.724 53.050 -0.005 0.000 0.858 256 N CB 0.310 38.836 38.487 0.065 0.000 0.970 256 N HN 0.143 nan 8.380 nan 0.000 0.471 257 L N 1.909 122.992 121.223 -0.233 0.000 2.360 257 L HA 0.048 4.388 4.340 -0.000 0.000 0.276 257 L C 1.096 177.806 176.870 -0.266 0.000 1.121 257 L CA 0.157 54.791 54.840 -0.344 0.000 0.845 257 L CB 0.879 42.662 42.059 -0.460 0.000 1.143 257 L HN -0.022 nan 8.230 nan 0.000 0.452 258 L N 6.053 127.120 121.223 -0.259 0.000 2.072 258 L HA 0.090 4.430 4.340 -0.000 0.000 0.205 258 L C 0.654 177.436 176.870 -0.146 0.000 1.079 258 L CA 1.496 56.214 54.840 -0.204 0.000 0.752 258 L CB -0.096 41.843 42.059 -0.200 0.000 0.906 258 L HN 0.916 nan 8.230 nan 0.000 0.436 259 C N -5.312 113.900 119.300 -0.146 0.000 3.284 259 C HA 0.476 4.936 4.460 -0.000 0.000 0.348 259 C C 0.258 175.199 174.990 -0.082 0.000 1.448 259 C CA -0.798 58.164 59.018 -0.094 0.000 1.223 259 C CB 0.462 28.155 27.740 -0.078 0.000 1.588 259 C HN 0.147 nan 8.230 nan 0.000 0.451 260 T N 3.560 118.095 114.554 -0.031 0.000 2.871 260 T HA 0.323 4.673 4.350 -0.000 0.000 0.296 260 T C -2.368 172.319 174.700 -0.021 0.000 0.998 260 T CA 0.704 62.806 62.100 0.005 0.000 1.162 260 T CB -0.183 68.699 68.868 0.023 0.000 0.947 260 T HN 0.673 nan 8.240 nan 0.000 0.536 261 P HA 0.393 nan 4.420 nan 0.000 0.267 261 P C 0.694 177.994 177.300 -0.001 0.000 1.200 261 P CA 0.603 63.685 63.100 -0.030 0.000 0.772 261 P CB 0.461 32.164 31.700 0.005 0.000 0.855 262 G N 0.537 109.331 108.800 -0.011 0.000 2.295 262 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.195 262 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.195 262 G C 0.512 175.398 174.900 -0.022 0.000 1.269 262 G CA -0.359 44.735 45.100 -0.010 0.000 1.170 262 G HN 0.405 nan 8.290 nan 0.000 0.511 263 L N 0.543 121.749 121.223 -0.028 0.000 2.081 263 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 263 L C 2.940 179.784 176.870 -0.043 0.000 1.080 263 L CA 2.246 57.063 54.840 -0.038 0.000 0.754 263 L CB -0.369 41.668 42.059 -0.036 0.000 0.893 263 L HN 0.654 nan 8.230 nan 0.000 0.433 264 K N 0.134 120.510 120.400 -0.041 0.000 2.057 264 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 264 K C 2.152 178.719 176.600 -0.055 0.000 1.049 264 K CA 1.307 57.561 56.287 -0.054 0.000 0.931 264 K CB -0.044 32.429 32.500 -0.045 0.000 0.714 264 K HN 0.287 nan 8.250 nan 0.000 0.440 265 A N 0.748 123.544 122.820 -0.039 0.000 1.872 265 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 265 A C 2.115 179.713 177.584 0.023 0.000 1.187 265 A CA 1.076 53.096 52.037 -0.029 0.000 0.614 265 A CB -0.582 18.395 19.000 -0.038 0.000 0.826 265 A HN 0.343 nan 8.150 nan 0.000 0.442 266 Q N 0.120 119.945 119.800 0.042 0.000 2.135 266 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 266 Q C 2.046 178.088 176.000 0.069 0.000 0.981 266 Q CA 2.060 57.925 55.803 0.103 0.000 0.856 266 Q CB -0.799 27.941 28.738 0.003 0.000 0.902 266 Q HN 0.580 nan 8.270 nan 0.000 0.425 267 G N 0.565 109.350 108.800 -0.026 0.000 2.408 267 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 267 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 267 G C 1.593 176.410 174.900 -0.138 0.000 1.150 267 G CA 0.587 45.621 45.100 -0.111 0.000 0.776 267 G HN 0.345 nan 8.290 nan 0.000 0.542 268 L N 0.203 121.370 121.223 -0.093 0.000 2.056 268 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 268 L C 2.967 179.801 176.870 -0.061 0.000 1.078 268 L CA 0.388 55.167 54.840 -0.103 0.000 0.749 268 L CB -0.507 41.496 42.059 -0.095 0.000 0.901 268 L HN 0.075 nan 8.230 nan 0.000 0.433 269 V N -0.025 119.904 119.914 0.024 0.000 2.295 269 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 269 V C 2.487 178.695 176.094 0.190 0.000 1.049 269 V CA 2.034 64.394 62.300 0.099 0.000 1.024 269 V CB -0.474 31.490 31.823 0.235 0.000 0.648 269 V HN 0.500 nan 8.190 nan 0.000 0.447 270 E N -0.055 120.263 120.200 0.198 0.000 2.085 270 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 270 E C 2.216 178.959 176.600 0.238 0.000 0.994 270 E CA 1.936 58.483 56.400 0.246 0.000 0.801 270 E CB -0.104 29.721 29.700 0.208 0.000 0.743 270 E HN 0.634 nan 8.360 nan 0.000 0.453 271 T N 0.489 115.057 114.554 0.023 0.000 2.777 271 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 271 T C 1.854 176.593 174.700 0.065 0.000 1.040 271 T CA 1.189 63.268 62.100 -0.034 0.000 1.141 271 T CB -0.280 68.381 68.868 -0.345 0.000 0.868 271 T HN 0.327 nan 8.240 nan 0.000 0.444 272 A N 0.860 123.654 122.820 -0.043 0.000 1.877 272 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 272 A C 2.006 179.502 177.584 -0.146 0.000 1.186 272 A CA 1.349 53.298 52.037 -0.146 0.000 0.620 272 A CB -1.088 17.737 19.000 -0.291 0.000 0.822 272 A HN 0.519 nan 8.150 nan 0.000 0.443 273 F N -0.161 119.767 119.950 -0.038 0.000 2.365 273 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 273 F C 2.650 178.446 175.800 -0.007 0.000 1.090 273 F CA 0.618 58.578 58.000 -0.066 0.000 1.408 273 F CB 0.041 38.969 39.000 -0.119 0.000 1.060 273 F HN 0.294 nan 8.300 nan 0.000 0.534 274 A N -0.194 122.778 122.820 0.253 0.000 1.929 274 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 274 A C 2.156 179.820 177.584 0.133 0.000 1.176 274 A CA 1.121 53.286 52.037 0.212 0.000 0.628 274 A CB -0.548 18.678 19.000 0.378 0.000 0.816 274 A HN 0.305 nan 8.150 nan 0.000 0.444 275 M N 0.528 120.207 119.600 0.131 0.000 2.117 275 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 275 M C 2.529 178.838 176.300 0.015 0.000 1.065 275 M CA 1.864 57.203 55.300 0.065 0.000 1.114 275 M CB -0.361 32.264 32.600 0.041 0.000 1.361 275 M HN 0.640 nan 8.290 nan 0.000 0.408 276 S N 0.660 116.353 115.700 -0.013 0.000 2.368 276 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 276 S C 2.121 176.700 174.600 -0.035 0.000 1.030 276 S CA 1.020 59.191 58.200 -0.049 0.000 0.999 276 S CB -0.748 62.394 63.200 -0.096 0.000 0.844 276 S HN 0.450 nan 8.310 nan 0.000 0.459 277 A N 2.249 125.073 122.820 0.006 0.000 1.917 277 A HA 0.138 4.458 4.320 -0.000 0.000 0.219 277 A C 2.535 180.118 177.584 -0.003 0.000 1.182 277 A CA 2.101 54.136 52.037 -0.003 0.000 0.633 277 A CB -1.489 17.522 19.000 0.018 0.000 0.819 277 A HN 0.919 nan 8.150 nan 0.000 0.448 278 A N -0.760 122.065 122.820 0.009 0.000 1.897 278 A HA 0.114 4.434 4.320 -0.000 0.000 0.215 278 A C 2.118 179.712 177.584 0.016 0.000 1.181 278 A CA 1.302 53.351 52.037 0.019 0.000 0.620 278 A CB -0.455 18.563 19.000 0.030 0.000 0.821 278 A HN 0.449 nan 8.150 nan 0.000 0.443 279 L N -0.776 120.447 121.223 -0.000 0.000 2.313 279 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 279 L C 2.330 179.159 176.870 -0.069 0.000 1.119 279 L CA 0.291 55.123 54.840 -0.013 0.000 0.809 279 L CB -0.173 41.878 42.059 -0.014 0.000 0.933 279 L HN 0.239 nan 8.230 nan 0.000 0.449 280 V N 0.315 120.181 119.914 -0.080 0.000 2.594 280 V HA -0.196 3.924 4.120 -0.000 0.000 0.253 280 V C 2.521 178.509 176.094 -0.177 0.000 1.069 280 V CA 1.841 64.072 62.300 -0.115 0.000 1.082 280 V CB -0.660 31.125 31.823 -0.064 0.000 0.680 280 V HN 0.576 nan 8.190 nan 0.000 0.469 281 G N -0.244 108.497 108.800 -0.098 0.000 2.505 281 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 281 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 281 G C 1.732 176.553 174.900 -0.132 0.000 1.145 281 G CA 1.134 46.180 45.100 -0.090 0.000 0.761 281 G HN 0.644 nan 8.290 nan 0.000 0.571 282 A N 0.312 123.067 122.820 -0.107 0.000 1.969 282 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 282 A C 2.463 179.917 177.584 -0.216 0.000 1.169 282 A CA 1.703 53.691 52.037 -0.082 0.000 0.635 282 A CB -0.292 18.713 19.000 0.009 0.000 0.810 282 A HN 0.413 nan 8.150 nan 0.000 0.445 283 M N -0.438 118.880 119.600 -0.470 0.000 2.132 283 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 283 M C 2.511 178.372 176.300 -0.733 0.000 1.065 283 M CA 1.438 56.198 55.300 -0.901 0.000 1.122 283 M CB -0.408 31.397 32.600 -1.325 0.000 1.365 283 M HN 0.426 nan 8.290 nan 0.000 0.411 284 A N 0.705 123.048 122.820 -0.795 0.000 1.902 284 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 284 A C 2.121 179.605 177.584 -0.167 0.000 1.181 284 A CA 1.470 53.150 52.037 -0.595 0.000 0.623 284 A CB -0.907 17.871 19.000 -0.370 0.000 0.818 284 A HN 0.442 nan 8.150 nan 0.000 0.443 285 I N -0.252 120.236 120.570 -0.135 0.000 2.179 285 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 285 I C 2.744 178.876 176.117 0.024 0.000 1.088 285 I CA 1.148 62.422 61.300 -0.044 0.000 1.357 285 I CB -0.694 37.279 38.000 -0.044 0.000 1.051 285 I HN 0.392 nan 8.210 nan 0.000 0.409 286 G N 0.205 109.031 108.800 0.044 0.000 2.491 286 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 286 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 286 G C 1.657 176.665 174.900 0.182 0.000 1.180 286 G CA 1.699 46.888 45.100 0.148 0.000 0.774 286 G HN 0.303 nan 8.290 nan 0.000 0.562 287 T N 1.501 116.187 114.554 0.219 0.000 2.737 287 T HA 0.057 4.407 4.350 -0.000 0.000 0.265 287 T C 2.822 177.636 174.700 0.190 0.000 1.038 287 T CA 1.610 63.866 62.100 0.261 0.000 1.144 287 T CB -0.405 68.724 68.868 0.434 0.000 0.866 287 T HN 0.388 nan 8.240 nan 0.000 0.434 288 A N 1.490 124.408 122.820 0.162 0.000 1.930 288 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 288 A C 2.285 179.969 177.584 0.167 0.000 1.175 288 A CA 1.609 53.731 52.037 0.143 0.000 0.627 288 A CB -0.557 18.491 19.000 0.081 0.000 0.815 288 A HN 0.401 nan 8.150 nan 0.000 0.443 289 R N -0.361 120.226 120.500 0.144 0.000 2.096 289 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 289 R C 2.247 178.671 176.300 0.206 0.000 1.127 289 R CA 1.342 57.556 56.100 0.189 0.000 0.968 289 R CB -0.362 30.020 30.300 0.137 0.000 0.861 289 R HN 0.448 nan 8.270 nan 0.000 0.440 290 A N 0.660 123.564 122.820 0.140 0.000 1.902 290 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 290 A C 2.328 179.933 177.584 0.036 0.000 1.181 290 A CA 1.613 53.691 52.037 0.068 0.000 0.623 290 A CB -0.698 18.324 19.000 0.038 0.000 0.818 290 A HN 0.523 nan 8.150 nan 0.000 0.443 291 A N -0.923 121.966 122.820 0.115 0.000 1.877 291 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 291 A C 2.056 179.846 177.584 0.344 0.000 1.186 291 A CA 1.656 53.836 52.037 0.239 0.000 0.620 291 A CB -0.777 18.437 19.000 0.358 0.000 0.822 291 A HN 0.744 nan 8.150 nan 0.000 0.443 292 F N 1.091 121.134 119.950 0.155 0.000 2.069 292 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 292 F C 2.163 178.035 175.800 0.119 0.000 1.113 292 F CA 2.306 60.382 58.000 0.128 0.000 1.214 292 F CB -0.488 38.559 39.000 0.079 0.000 0.978 292 F HN 0.372 nan 8.300 nan 0.000 0.474 293 E N -0.215 119.937 120.200 -0.079 0.000 2.106 293 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 293 E C 2.150 178.675 176.600 -0.126 0.000 0.984 293 E CA 1.331 57.611 56.400 -0.200 0.000 0.806 293 E CB -0.303 29.393 29.700 -0.005 0.000 0.750 293 E HN 0.615 nan 8.360 nan 0.000 0.458 294 E N 0.719 120.890 120.200 -0.048 0.000 2.077 294 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 294 E C 2.007 178.703 176.600 0.161 0.000 0.989 294 E CA 1.065 57.453 56.400 -0.019 0.000 0.800 294 E CB -0.047 29.498 29.700 -0.258 0.000 0.746 294 E HN 0.217 nan 8.360 nan 0.000 0.452 295 A N 0.782 123.763 122.820 0.268 0.000 1.933 295 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 295 A C 2.130 179.763 177.584 0.082 0.000 1.175 295 A CA 1.304 53.478 52.037 0.229 0.000 0.628 295 A CB -0.633 18.467 19.000 0.167 0.000 0.814 295 A HN 0.398 nan 8.150 nan 0.000 0.444 296 L N -0.132 121.002 121.223 -0.148 0.000 2.027 296 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 296 L C 2.361 179.174 176.870 -0.096 0.000 1.074 296 L CA 1.900 56.602 54.840 -0.229 0.000 0.745 296 L CB -0.506 41.208 42.059 -0.574 0.000 0.898 296 L HN 0.137 nan 8.230 nan 0.000 0.433 297 V N -0.490 119.386 119.914 -0.064 0.000 2.343 297 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 297 V C 2.323 178.422 176.094 0.008 0.000 1.051 297 V CA 2.128 64.408 62.300 -0.032 0.000 1.036 297 V CB -0.917 30.898 31.823 -0.015 0.000 0.654 297 V HN 0.516 nan 8.190 nan 0.000 0.451 298 F N 1.541 121.467 119.950 -0.040 0.000 2.069 298 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 298 F C 2.315 178.096 175.800 -0.031 0.000 1.113 298 F CA 1.809 59.801 58.000 -0.012 0.000 1.214 298 F CB -0.619 38.408 39.000 0.045 0.000 0.978 298 F HN 0.080 nan 8.300 nan 0.000 0.474 299 A N -0.493 122.372 122.820 0.075 0.000 2.015 299 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 299 A C 2.096 179.622 177.584 -0.096 0.000 1.163 299 A CA 1.558 53.599 52.037 0.006 0.000 0.646 299 A CB -0.612 18.442 19.000 0.089 0.000 0.806 299 A HN 0.482 nan 8.150 nan 0.000 0.448 300 K N -0.094 120.214 120.400 -0.153 0.000 2.459 300 K HA 0.008 4.328 4.320 -0.000 0.000 0.193 300 K C 1.477 177.709 176.600 -0.613 0.000 1.030 300 K CA 0.992 57.126 56.287 -0.255 0.000 1.026 300 K CB 0.153 32.555 32.500 -0.164 0.000 0.809 300 K HN 0.628 nan 8.250 nan 0.000 0.504 301 S N -1.281 114.102 115.700 -0.527 0.000 2.649 301 S HA 0.112 4.582 4.470 -0.000 0.000 0.246 301 S C 0.033 174.409 174.600 -0.373 0.000 1.057 301 S CA -0.574 57.304 58.200 -0.537 0.000 1.051 301 S CB 0.548 63.576 63.200 -0.286 0.000 1.018 301 S HN 0.012 nan 8.310 nan 0.000 0.569 302 D N 1.934 122.088 120.400 -0.411 0.000 2.362 302 D HA 0.339 4.979 4.640 -0.000 0.000 0.247 302 D C 0.484 176.712 176.300 -0.120 0.000 1.050 302 D CA 0.056 53.837 54.000 -0.365 0.000 0.839 302 D CB 2.420 42.644 40.800 -0.960 0.000 1.283 302 D HN 0.250 nan 8.370 nan 0.000 0.477 303 T N 0.630 115.185 114.554 0.001 0.000 3.065 303 T HA 0.048 4.398 4.350 -0.000 0.000 0.252 303 T C 1.102 175.828 174.700 0.043 0.000 1.099 303 T CA -0.137 61.996 62.100 0.056 0.000 1.063 303 T CB 0.214 69.105 68.868 0.037 0.000 0.948 303 T HN 0.488 nan 8.240 nan 0.000 0.506 304 R N 0.840 121.343 120.500 0.006 0.000 3.333 304 R HA -0.114 4.226 4.340 -0.000 0.000 0.256 304 R C 1.098 177.420 176.300 0.036 0.000 1.010 304 R CA 0.779 56.903 56.100 0.041 0.000 0.680 304 R CB -2.188 28.151 30.300 0.064 0.000 1.102 304 R HN 1.148 nan 8.270 nan 0.000 0.440 305 G N -2.410 106.407 108.800 0.029 0.000 2.160 305 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.251 305 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.251 305 G C 0.509 175.424 174.900 0.025 0.000 1.008 305 G CA 0.555 45.669 45.100 0.024 0.000 0.724 305 G HN 0.953 nan 8.290 nan 0.000 0.514 306 G N -1.378 107.444 108.800 0.037 0.000 3.075 306 G HA2 0.726 4.686 3.960 -0.000 0.000 0.253 306 G HA3 0.726 4.686 3.960 -0.000 0.000 0.253 306 G C 1.068 175.982 174.900 0.022 0.000 1.353 306 G CA 0.678 45.807 45.100 0.048 0.000 1.051 306 G HN 1.250 nan 8.290 nan 0.000 0.553 307 S N -1.634 114.072 115.700 0.010 0.000 2.503 307 S HA 0.185 4.655 4.470 -0.000 0.000 0.215 307 S C 0.726 175.272 174.600 -0.090 0.000 1.003 307 S CA 0.456 58.635 58.200 -0.036 0.000 0.910 307 S CB -0.212 62.968 63.200 -0.034 0.000 0.790 307 S HN 0.721 nan 8.310 nan 0.000 0.514 308 K N 0.283 120.633 120.400 -0.084 0.000 2.395 308 K HA 0.442 4.762 4.320 -0.000 0.000 0.247 308 K C -1.185 175.364 176.600 -0.086 0.000 0.973 308 K CA -0.916 55.267 56.287 -0.173 0.000 0.828 308 K CB 0.611 32.994 32.500 -0.195 0.000 1.272 308 K HN 0.034 nan 8.250 nan 0.000 0.439 309 H N 1.310 120.350 119.070 -0.050 0.000 2.948 309 H HA -0.008 4.548 4.556 -0.000 0.000 0.351 309 H C 0.998 176.327 175.328 0.002 0.000 1.079 309 H CA 0.030 56.052 56.048 -0.043 0.000 1.407 309 H CB 0.678 30.407 29.762 -0.056 0.000 1.373 309 H HN 0.608 nan 8.280 nan 0.000 0.605 310 I N 2.519 123.204 120.570 0.192 0.000 2.614 310 I HA -0.154 4.016 4.170 -0.000 0.000 0.258 310 I C 2.453 178.721 176.117 0.252 0.000 1.189 310 I CA 0.633 62.114 61.300 0.301 0.000 1.462 310 I CB -0.243 37.864 38.000 0.177 0.000 1.092 310 I HN 0.624 nan 8.210 nan 0.000 0.442 311 I N 0.392 121.044 120.570 0.136 0.000 2.700 311 I HA -0.241 3.929 4.170 -0.000 0.000 0.261 311 I C 1.781 177.939 176.117 0.068 0.000 1.219 311 I CA 1.208 62.566 61.300 0.097 0.000 1.463 311 I CB -0.156 37.880 38.000 0.060 0.000 1.092 311 I HN 0.216 nan 8.210 nan 0.000 0.452 312 E N -0.083 120.126 120.200 0.014 0.000 2.427 312 E HA -0.042 4.308 4.350 -0.000 0.000 0.196 312 E C 0.190 176.707 176.600 -0.138 0.000 1.028 312 E CA 0.392 56.740 56.400 -0.086 0.000 0.864 312 E CB -0.248 29.350 29.700 -0.171 0.000 0.813 312 E HN 0.594 nan 8.360 nan 0.000 0.514 313 H N 1.232 120.318 119.070 0.027 0.000 2.646 313 H HA 0.154 4.710 4.556 -0.000 0.000 0.325 313 H C 1.163 176.506 175.328 0.025 0.000 1.075 313 H CA 0.044 56.105 56.048 0.022 0.000 1.421 313 H CB 1.171 30.947 29.762 0.023 0.000 1.461 313 H HN 0.108 nan 8.280 nan 0.000 0.525 314 Q N 1.804 121.678 119.800 0.125 0.000 2.124 314 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 314 Q C 1.816 177.861 176.000 0.076 0.000 0.977 314 Q CA 1.477 57.326 55.803 0.078 0.000 0.850 314 Q CB 0.191 28.961 28.738 0.053 0.000 0.901 314 Q HN 0.538 nan 8.270 nan 0.000 0.429 315 S N 0.051 115.799 115.700 0.079 0.000 2.423 315 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 315 S C 2.057 176.691 174.600 0.056 0.000 1.014 315 S CA 0.769 59.000 58.200 0.052 0.000 0.965 315 S CB -0.003 63.215 63.200 0.030 0.000 0.785 315 S HN 0.137 nan 8.310 nan 0.000 0.495 316 V N 1.922 121.885 119.914 0.082 0.000 2.323 316 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 316 V C 2.676 178.824 176.094 0.090 0.000 1.041 316 V CA 1.583 63.934 62.300 0.085 0.000 1.025 316 V CB -1.178 30.715 31.823 0.117 0.000 0.656 316 V HN 0.522 nan 8.190 nan 0.000 0.451 317 A N -0.079 122.797 122.820 0.093 0.000 1.940 317 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 317 A C 1.972 179.604 177.584 0.079 0.000 1.176 317 A CA 2.103 54.191 52.037 0.085 0.000 0.631 317 A CB -0.649 18.394 19.000 0.071 0.000 0.814 317 A HN 0.536 nan 8.150 nan 0.000 0.446 318 D N -0.087 120.352 120.400 0.065 0.000 2.117 318 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 318 D C 1.932 178.266 176.300 0.057 0.000 0.987 318 D CA 1.133 55.164 54.000 0.052 0.000 0.829 318 D CB -0.148 40.676 40.800 0.040 0.000 0.961 318 D HN 0.279 nan 8.370 nan 0.000 0.460 319 K N 0.450 120.887 120.400 0.061 0.000 2.026 319 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 319 K C 2.415 179.081 176.600 0.110 0.000 1.048 319 K CA 0.429 56.755 56.287 0.066 0.000 0.929 319 K CB -0.613 31.919 32.500 0.053 0.000 0.713 319 K HN 0.265 nan 8.250 nan 0.000 0.439 320 L N 0.541 121.852 121.223 0.147 0.000 2.093 320 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 320 L C 2.471 179.484 176.870 0.238 0.000 1.085 320 L CA 0.799 55.799 54.840 0.267 0.000 0.755 320 L CB -0.416 41.789 42.059 0.242 0.000 0.904 320 L HN 0.076 nan 8.230 nan 0.000 0.435 321 I N -0.026 120.624 120.570 0.133 0.000 2.226 321 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 321 I C 2.080 178.210 176.117 0.022 0.000 1.100 321 I CA 1.288 62.630 61.300 0.070 0.000 1.374 321 I CB -0.322 37.709 38.000 0.052 0.000 1.057 321 I HN 0.268 nan 8.210 nan 0.000 0.413 322 D N 0.267 120.686 120.400 0.032 0.000 2.117 322 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 322 D C 2.295 178.582 176.300 -0.022 0.000 0.982 322 D CA 1.135 55.139 54.000 0.008 0.000 0.828 322 D CB -0.454 40.357 40.800 0.019 0.000 0.967 322 D HN 0.364 nan 8.370 nan 0.000 0.464 323 C N 0.763 120.063 119.300 -0.001 0.000 2.413 323 C HA -0.131 4.329 4.460 -0.000 0.000 0.276 323 C C 2.568 177.383 174.990 -0.291 0.000 1.236 323 C CA 0.628 59.612 59.018 -0.056 0.000 1.735 323 C CB -0.595 27.225 27.740 0.134 0.000 2.031 323 C HN 0.251 nan 8.230 nan 0.000 0.474 324 K N 1.310 121.462 120.400 -0.414 0.000 2.026 324 K HA -0.059 4.261 4.320 -0.000 0.000 0.208 324 K C 1.618 178.038 176.600 -0.301 0.000 1.048 324 K CA 1.647 57.573 56.287 -0.601 0.000 0.929 324 K CB -0.688 31.588 32.500 -0.373 0.000 0.713 324 K HN 0.509 nan 8.250 nan 0.000 0.439 325 I N 0.527 121.000 120.570 -0.162 0.000 2.208 325 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 325 I C 2.382 178.462 176.117 -0.062 0.000 1.097 325 I CA 1.339 62.584 61.300 -0.092 0.000 1.363 325 I CB -0.210 37.764 38.000 -0.042 0.000 1.051 325 I HN 0.191 nan 8.210 nan 0.000 0.413 326 R N 0.397 120.858 120.500 -0.064 0.000 2.096 326 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 326 R C 2.290 178.557 176.300 -0.056 0.000 1.127 326 R CA 1.267 57.346 56.100 -0.034 0.000 0.968 326 R CB -0.398 29.852 30.300 -0.084 0.000 0.861 326 R HN 0.378 nan 8.270 nan 0.000 0.440 327 L N 0.150 121.290 121.223 -0.138 0.000 2.072 327 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 327 L C 2.536 179.317 176.870 -0.148 0.000 1.079 327 L CA 1.049 55.797 54.840 -0.152 0.000 0.752 327 L CB -0.326 41.589 42.059 -0.240 0.000 0.906 327 L HN 0.092 nan 8.230 nan 0.000 0.436 328 E N 0.337 120.437 120.200 -0.167 0.000 2.051 328 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 328 E C 2.151 178.655 176.600 -0.160 0.000 0.991 328 E CA 2.198 58.488 56.400 -0.183 0.000 0.799 328 E CB -0.270 29.325 29.700 -0.174 0.000 0.748 328 E HN 0.506 nan 8.360 nan 0.000 0.449 329 T N -2.115 112.393 114.554 -0.077 0.000 2.788 329 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 329 T C 2.199 176.913 174.700 0.023 0.000 1.044 329 T CA 1.466 63.542 62.100 -0.039 0.000 1.139 329 T CB -0.576 68.309 68.868 0.028 0.000 0.867 329 T HN 0.004 nan 8.240 nan 0.000 0.454 330 S N 1.297 117.068 115.700 0.118 0.000 2.359 330 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 330 S C 2.162 176.737 174.600 -0.041 0.000 1.035 330 S CA 1.361 59.631 58.200 0.118 0.000 1.018 330 S CB -0.385 62.840 63.200 0.042 0.000 0.876 330 S HN 0.558 nan 8.310 nan 0.000 0.448 331 R N 0.341 120.738 120.500 -0.172 0.000 2.092 331 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 331 R C 1.887 177.880 176.300 -0.512 0.000 1.119 331 R CA 0.890 56.763 56.100 -0.378 0.000 0.970 331 R CB -0.287 29.696 30.300 -0.528 0.000 0.864 331 R HN 0.217 nan 8.270 nan 0.000 0.440 332 L N 0.477 121.492 121.223 -0.347 0.000 2.046 332 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 332 L C 2.149 179.010 176.870 -0.015 0.000 1.077 332 L CA 1.366 56.101 54.840 -0.175 0.000 0.747 332 L CB -0.941 41.039 42.059 -0.131 0.000 0.896 332 L HN 0.257 nan 8.230 nan 0.000 0.432 333 L N -1.355 119.850 121.223 -0.030 0.000 2.093 333 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 333 L C 2.374 179.285 176.870 0.068 0.000 1.085 333 L CA 1.322 56.171 54.840 0.015 0.000 0.755 333 L CB -0.391 41.666 42.059 -0.003 0.000 0.904 333 L HN 0.015 nan 8.230 nan 0.000 0.435 334 V N -1.607 118.351 119.914 0.072 0.000 2.307 334 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 334 V C 2.208 178.476 176.094 0.290 0.000 1.045 334 V CA 1.736 64.124 62.300 0.146 0.000 1.024 334 V CB -0.813 31.096 31.823 0.144 0.000 0.651 334 V HN 0.522 nan 8.190 nan 0.000 0.449 335 W N 0.607 121.937 121.300 0.050 0.000 2.363 335 W HA -0.091 4.569 4.660 -0.000 0.000 0.296 335 W C 2.488 179.027 176.519 0.034 0.000 1.212 335 W CA 1.287 58.664 57.345 0.054 0.000 1.260 335 W CB -0.927 28.589 29.460 0.093 0.000 1.131 335 W HN 0.204 nan 8.180 nan 0.000 0.530 336 K N 0.817 121.371 120.400 0.257 0.000 2.057 336 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 336 K C 2.112 178.763 176.600 0.086 0.000 1.050 336 K CA 2.014 58.381 56.287 0.133 0.000 0.935 336 K CB -0.753 31.804 32.500 0.096 0.000 0.715 336 K HN -0.081 nan 8.250 nan 0.000 0.439 337 A N 0.293 123.167 122.820 0.089 0.000 1.898 337 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 337 A C 2.259 179.871 177.584 0.047 0.000 1.181 337 A CA 1.822 53.889 52.037 0.049 0.000 0.620 337 A CB -0.879 18.147 19.000 0.045 0.000 0.819 337 A HN 0.251 nan 8.150 nan 0.000 0.442 338 V N -3.174 116.786 119.914 0.076 0.000 2.488 338 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 338 V C 2.119 178.234 176.094 0.034 0.000 1.046 338 V CA 2.458 64.791 62.300 0.054 0.000 1.053 338 V CB -1.638 30.221 31.823 0.060 0.000 0.679 338 V HN 0.364 nan 8.190 nan 0.000 0.458 339 T N 0.837 115.413 114.554 0.036 0.000 2.788 339 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 339 T C 1.931 176.635 174.700 0.008 0.000 1.044 339 T CA 2.283 64.389 62.100 0.011 0.000 1.139 339 T CB -0.564 68.308 68.868 0.007 0.000 0.867 339 T HN 0.662 nan 8.240 nan 0.000 0.454 340 T N 2.321 116.882 114.554 0.011 0.000 2.746 340 T HA 0.048 4.398 4.350 -0.000 0.000 0.267 340 T C 1.967 176.671 174.700 0.007 0.000 1.039 340 T CA 0.832 62.931 62.100 -0.001 0.000 1.142 340 T CB -0.444 68.414 68.868 -0.016 0.000 0.866 340 T HN 0.239 nan 8.240 nan 0.000 0.444 341 L N 0.684 121.917 121.223 0.017 0.000 2.079 341 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 341 L C 2.412 179.325 176.870 0.073 0.000 1.081 341 L CA 1.389 56.263 54.840 0.056 0.000 0.752 341 L CB -0.460 41.641 42.059 0.070 0.000 0.896 341 L HN 0.335 nan 8.230 nan 0.000 0.433 342 E N -1.077 119.147 120.200 0.039 0.000 2.502 342 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 342 E C 0.174 176.787 176.600 0.022 0.000 1.062 342 E CA -0.120 56.296 56.400 0.026 0.000 0.867 342 E CB 0.064 29.765 29.700 0.002 0.000 0.888 342 E HN 0.233 nan 8.360 nan 0.000 0.510 343 D N 1.528 121.943 120.400 0.025 0.000 2.365 343 D HA -0.003 4.637 4.640 -0.000 0.000 0.237 343 D C 0.593 176.914 176.300 0.035 0.000 1.190 343 D CA 0.104 54.116 54.000 0.019 0.000 0.867 343 D CB 0.721 41.527 40.800 0.011 0.000 1.050 343 D HN 0.061 nan 8.370 nan 0.000 0.491 344 E N 2.330 122.548 120.200 0.029 0.000 2.268 344 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 344 E C 1.463 178.085 176.600 0.036 0.000 0.995 344 E CA 0.456 56.877 56.400 0.036 0.000 0.836 344 E CB 0.193 29.907 29.700 0.023 0.000 0.763 344 E HN 0.519 nan 8.360 nan 0.000 0.491 345 A N 1.131 123.968 122.820 0.028 0.000 2.119 345 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 345 A C 1.234 178.837 177.584 0.032 0.000 1.153 345 A CA 0.355 52.408 52.037 0.026 0.000 0.692 345 A CB -0.115 18.896 19.000 0.018 0.000 0.799 345 A HN 0.064 nan 8.150 nan 0.000 0.458 346 L N 0.960 122.206 121.223 0.037 0.000 2.334 346 L HA 0.241 4.581 4.340 -0.000 0.000 0.277 346 L C 0.076 176.983 176.870 0.062 0.000 1.075 346 L CA -0.624 54.237 54.840 0.035 0.000 0.804 346 L CB 1.105 43.175 42.059 0.018 0.000 1.174 346 L HN 0.320 nan 8.230 nan 0.000 0.438 347 E N 1.844 122.078 120.200 0.055 0.000 2.404 347 E HA -0.122 4.228 4.350 -0.000 0.000 0.261 347 E C 0.360 177.031 176.600 0.120 0.000 1.074 347 E CA -0.045 56.410 56.400 0.092 0.000 0.917 347 E CB 1.081 30.821 29.700 0.067 0.000 0.965 347 E HN 0.694 nan 8.360 nan 0.000 0.433 348 W N 4.203 125.510 121.300 0.010 0.000 2.338 348 W HA -0.266 4.394 4.660 -0.000 0.000 0.304 348 W C 1.721 178.250 176.519 0.016 0.000 1.212 348 W CA 1.845 59.197 57.345 0.011 0.000 1.264 348 W CB 0.068 29.532 29.460 0.008 0.000 1.142 348 W HN 0.592 nan 8.180 nan 0.000 0.512 349 K N 0.050 120.377 120.400 -0.121 0.000 2.209 349 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 349 K C 1.602 178.074 176.600 -0.213 0.000 1.048 349 K CA 1.728 57.893 56.287 -0.203 0.000 0.940 349 K CB -0.862 31.626 32.500 -0.019 0.000 0.729 349 K HN 0.093 nan 8.250 nan 0.000 0.451 350 V N 1.804 121.626 119.914 -0.153 0.000 2.379 350 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 350 V C 2.176 178.150 176.094 -0.199 0.000 1.044 350 V CA 1.822 64.048 62.300 -0.123 0.000 1.036 350 V CB -0.398 31.384 31.823 -0.067 0.000 0.664 350 V HN 0.359 nan 8.190 nan 0.000 0.453 351 K N -0.206 120.008 120.400 -0.311 0.000 2.057 351 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 351 K C 2.090 178.374 176.600 -0.526 0.000 1.050 351 K CA 1.248 57.308 56.287 -0.378 0.000 0.935 351 K CB -0.376 31.881 32.500 -0.404 0.000 0.715 351 K HN 0.252 nan 8.250 nan 0.000 0.439 352 L N 1.991 122.714 121.223 -0.833 0.000 1.994 352 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 352 L C 2.322 179.008 176.870 -0.306 0.000 1.071 352 L CA 1.852 56.289 54.840 -0.672 0.000 0.745 352 L CB -0.451 41.171 42.059 -0.728 0.000 0.892 352 L HN 0.205 nan 8.230 nan 0.000 0.431 353 E N -0.766 119.291 120.200 -0.238 0.000 2.070 353 E HA -0.319 4.031 4.350 -0.000 0.000 0.197 353 E C 2.182 178.725 176.600 -0.095 0.000 1.004 353 E CA 2.059 58.384 56.400 -0.126 0.000 0.805 353 E CB -0.197 29.473 29.700 -0.051 0.000 0.744 353 E HN 0.483 nan 8.360 nan 0.000 0.451 354 M N 0.613 120.150 119.600 -0.105 0.000 2.159 354 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 354 M C 1.976 178.244 176.300 -0.053 0.000 1.063 354 M CA 1.848 57.110 55.300 -0.064 0.000 1.110 354 M CB -0.378 32.186 32.600 -0.060 0.000 1.374 354 M HN 0.129 nan 8.290 nan 0.000 0.411 355 A N -0.288 122.480 122.820 -0.086 0.000 1.930 355 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 355 A C 2.035 179.602 177.584 -0.029 0.000 1.175 355 A CA 1.685 53.691 52.037 -0.051 0.000 0.627 355 A CB -0.529 18.431 19.000 -0.067 0.000 0.815 355 A HN 0.531 nan 8.150 nan 0.000 0.443 356 M N -0.602 118.971 119.600 -0.045 0.000 2.123 356 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 356 M C 2.214 178.513 176.300 -0.002 0.000 1.069 356 M CA 1.318 56.602 55.300 -0.026 0.000 1.133 356 M CB -1.618 30.956 32.600 -0.044 0.000 1.356 356 M HN 0.507 nan 8.290 nan 0.000 0.415 357 Q N -0.315 119.482 119.800 -0.005 0.000 2.112 357 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 357 Q C 2.006 178.045 176.000 0.064 0.000 0.987 357 Q CA 2.247 58.063 55.803 0.022 0.000 0.858 357 Q CB -0.247 28.493 28.738 0.004 0.000 0.905 357 Q HN 0.526 nan 8.270 nan 0.000 0.420 358 T N 0.725 115.309 114.554 0.049 0.000 2.737 358 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 358 T C 1.714 176.465 174.700 0.084 0.000 1.038 358 T CA 0.848 62.994 62.100 0.076 0.000 1.144 358 T CB -0.051 68.846 68.868 0.048 0.000 0.866 358 T HN 0.112 nan 8.240 nan 0.000 0.434 359 K N 1.052 121.481 120.400 0.049 0.000 2.026 359 K HA -0.011 4.309 4.320 -0.000 0.000 0.208 359 K C 2.271 178.906 176.600 0.058 0.000 1.048 359 K CA 1.248 57.559 56.287 0.040 0.000 0.929 359 K CB -0.578 31.932 32.500 0.018 0.000 0.713 359 K HN 0.350 nan 8.250 nan 0.000 0.439 360 I N -0.031 120.577 120.570 0.063 0.000 2.127 360 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 360 I C 2.484 178.654 176.117 0.088 0.000 1.075 360 I CA 1.504 62.844 61.300 0.066 0.000 1.334 360 I CB -0.416 37.621 38.000 0.062 0.000 1.040 360 I HN 0.174 nan 8.210 nan 0.000 0.405 361 Y N 1.704 122.007 120.300 0.005 0.000 2.153 361 Y HA -0.284 4.266 4.550 -0.000 0.000 0.289 361 Y C 2.934 178.836 175.900 0.003 0.000 1.127 361 Y CA 2.200 60.302 58.100 0.003 0.000 1.131 361 Y CB -0.710 37.749 38.460 -0.001 0.000 0.995 361 Y HN 0.283 nan 8.280 nan 0.000 0.505 362 T N -2.866 111.695 114.554 0.013 0.000 2.788 362 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 362 T C 1.808 176.440 174.700 -0.114 0.000 1.044 362 T CA 1.910 63.957 62.100 -0.089 0.000 1.139 362 T CB -1.302 67.569 68.868 0.006 0.000 0.867 362 T HN 0.553 nan 8.240 nan 0.000 0.454 363 T N -0.470 114.064 114.554 -0.034 0.000 2.942 363 T HA -0.027 4.323 4.350 -0.000 0.000 0.265 363 T C 1.661 176.367 174.700 0.010 0.000 1.062 363 T CA 0.942 63.068 62.100 0.044 0.000 1.139 363 T CB -0.431 68.519 68.868 0.136 0.000 0.883 363 T HN 0.186 nan 8.240 nan 0.000 0.468 364 D N 0.963 121.330 120.400 -0.055 0.000 2.117 364 D HA 0.008 4.648 4.640 -0.000 0.000 0.198 364 D C 2.222 178.452 176.300 -0.117 0.000 0.982 364 D CA 0.632 54.590 54.000 -0.069 0.000 0.828 364 D CB -0.359 40.399 40.800 -0.070 0.000 0.967 364 D HN 0.261 nan 8.370 nan 0.000 0.464 365 V N 0.852 120.621 119.914 -0.241 0.000 2.591 365 V HA -0.085 4.035 4.120 -0.000 0.000 0.249 365 V C 2.318 178.322 176.094 -0.150 0.000 1.053 365 V CA 1.321 63.452 62.300 -0.282 0.000 1.068 365 V CB -0.248 31.178 31.823 -0.661 0.000 0.689 365 V HN 0.141 nan 8.190 nan 0.000 0.462 366 A N -0.158 122.603 122.820 -0.099 0.000 1.908 366 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 366 A C 2.342 179.946 177.584 0.034 0.000 1.181 366 A CA 2.168 54.204 52.037 -0.002 0.000 0.627 366 A CB -0.619 18.422 19.000 0.067 0.000 0.818 366 A HN 0.357 nan 8.150 nan 0.000 0.445 367 V N 0.161 120.087 119.914 0.021 0.000 2.295 367 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 367 V C 2.373 178.471 176.094 0.006 0.000 1.049 367 V CA 2.349 64.658 62.300 0.016 0.000 1.024 367 V CB -0.980 30.841 31.823 -0.003 0.000 0.648 367 V HN 0.663 nan 8.190 nan 0.000 0.447 368 E N -0.959 119.231 120.200 -0.016 0.000 2.110 368 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 368 E C 2.251 178.853 176.600 0.004 0.000 0.988 368 E CA 1.583 57.974 56.400 -0.015 0.000 0.804 368 E CB -0.389 29.291 29.700 -0.034 0.000 0.745 368 E HN 0.666 nan 8.360 nan 0.000 0.458 369 C N 0.307 119.613 119.300 0.010 0.000 2.446 369 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 369 C C 2.661 177.705 174.990 0.090 0.000 1.275 369 C CA 0.457 59.500 59.018 0.042 0.000 1.727 369 C CB -0.668 27.089 27.740 0.029 0.000 2.010 369 C HN 0.202 nan 8.230 nan 0.000 0.486 370 V N 1.036 121.006 119.914 0.095 0.000 2.307 370 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 370 V C 2.270 178.409 176.094 0.077 0.000 1.045 370 V CA 2.368 64.749 62.300 0.136 0.000 1.024 370 V CB -0.558 31.344 31.823 0.132 0.000 0.651 370 V HN 0.550 nan 8.190 nan 0.000 0.449 371 I N 0.013 120.604 120.570 0.034 0.000 2.226 371 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 371 I C 2.266 178.366 176.117 -0.029 0.000 1.100 371 I CA 1.516 62.813 61.300 -0.005 0.000 1.374 371 I CB -0.430 37.567 38.000 -0.005 0.000 1.057 371 I HN 0.307 nan 8.210 nan 0.000 0.413 372 D N 0.990 121.388 120.400 -0.003 0.000 2.117 372 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 372 D C 2.266 178.555 176.300 -0.019 0.000 0.987 372 D CA 1.558 55.557 54.000 -0.003 0.000 0.829 372 D CB -0.174 40.641 40.800 0.025 0.000 0.961 372 D HN 0.330 nan 8.370 nan 0.000 0.460 373 A N 0.453 123.278 122.820 0.008 0.000 1.933 373 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 373 A C 2.267 179.657 177.584 -0.322 0.000 1.175 373 A CA 1.411 53.434 52.037 -0.024 0.000 0.628 373 A CB -0.525 18.581 19.000 0.176 0.000 0.814 373 A HN 0.177 nan 8.150 nan 0.000 0.444 374 M N -0.826 118.528 119.600 -0.409 0.000 2.086 374 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 374 M C 2.129 178.226 176.300 -0.339 0.000 1.067 374 M CA 1.801 56.754 55.300 -0.579 0.000 1.116 374 M CB -0.381 32.016 32.600 -0.338 0.000 1.348 374 M HN 0.315 nan 8.290 nan 0.000 0.407 375 K N 0.407 120.692 120.400 -0.192 0.000 2.103 375 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 375 K C 2.077 178.612 176.600 -0.110 0.000 1.048 375 K CA 1.470 57.681 56.287 -0.127 0.000 0.930 375 K CB -0.289 32.164 32.500 -0.078 0.000 0.716 375 K HN 0.307 nan 8.250 nan 0.000 0.444 376 A N 0.823 123.583 122.820 -0.100 0.000 1.898 376 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 376 A C 2.323 179.887 177.584 -0.034 0.000 1.181 376 A CA 1.237 53.251 52.037 -0.039 0.000 0.620 376 A CB -0.459 18.544 19.000 0.005 0.000 0.819 376 A HN 0.073 nan 8.150 nan 0.000 0.442 377 V N -1.024 118.789 119.914 -0.168 0.000 2.548 377 V HA 0.225 4.345 4.120 -0.000 0.000 0.249 377 V C 1.739 177.704 176.094 -0.214 0.000 1.055 377 V CA 1.219 63.354 62.300 -0.275 0.000 1.065 377 V CB -1.506 29.944 31.823 -0.621 0.000 0.681 377 V HN 1.181 nan 8.190 nan 0.000 0.462 378 G N -0.816 107.867 108.800 -0.194 0.000 2.527 378 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.227 378 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.227 378 G C 0.370 175.187 174.900 -0.138 0.000 1.291 378 G CA 0.220 45.244 45.100 -0.127 0.000 0.904 378 G HN 0.105 nan 8.290 nan 0.000 0.577 379 M N 0.465 120.014 119.600 -0.086 0.000 2.108 379 M HA -0.026 4.454 4.480 -0.000 0.000 0.257 379 M C 2.355 178.641 176.300 -0.023 0.000 1.071 379 M CA 2.896 58.161 55.300 -0.059 0.000 1.093 379 M CB -0.786 31.794 32.600 -0.033 0.000 1.345 379 M HN 0.586 nan 8.290 nan 0.000 0.403 380 K N -0.693 119.669 120.400 -0.063 0.000 2.281 380 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 380 K C 1.820 178.394 176.600 -0.044 0.000 1.046 380 K CA 1.454 57.707 56.287 -0.057 0.000 0.938 380 K CB -0.376 32.054 32.500 -0.117 0.000 0.737 380 K HN 0.591 nan 8.250 nan 0.000 0.458 381 S N -0.373 115.262 115.700 -0.108 0.000 2.515 381 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 381 S C 1.658 176.323 174.600 0.107 0.000 0.987 381 S CA 0.488 58.642 58.200 -0.075 0.000 0.936 381 S CB -0.244 62.647 63.200 -0.516 0.000 0.766 381 S HN 0.353 nan 8.310 nan 0.000 0.528 382 Y N 2.343 122.615 120.300 -0.047 0.000 2.511 382 Y HA 0.569 5.119 4.550 -0.000 0.000 0.279 382 Y C 1.006 176.907 175.900 0.002 0.000 1.157 382 Y CA -0.580 57.507 58.100 -0.022 0.000 1.300 382 Y CB -0.302 38.135 38.460 -0.039 0.000 1.052 382 Y HN 0.444 nan 8.280 nan 0.000 0.529 383 A N 0.083 122.927 122.820 0.039 0.000 2.306 383 A HA 0.372 4.692 4.320 -0.000 0.000 0.330 383 A C 0.768 178.337 177.584 -0.025 0.000 1.146 383 A CA -0.688 51.340 52.037 -0.016 0.000 0.827 383 A CB 0.853 19.868 19.000 0.026 0.000 1.178 383 A HN 0.344 nan 8.150 nan 0.000 0.490 384 K N 0.548 120.920 120.400 -0.047 0.000 2.551 384 K HA -0.036 4.284 4.320 -0.000 0.000 0.192 384 K C 0.151 176.733 176.600 -0.031 0.000 1.027 384 K CA 0.805 57.065 56.287 -0.044 0.000 1.059 384 K CB 0.156 32.623 32.500 -0.055 0.000 0.831 384 K HN 0.790 nan 8.250 nan 0.000 0.508 385 D N 0.056 120.446 120.400 -0.016 0.000 2.349 385 D HA -0.076 4.564 4.640 -0.000 0.000 0.224 385 D C 0.630 176.922 176.300 -0.014 0.000 1.029 385 D CA 0.480 54.472 54.000 -0.013 0.000 0.879 385 D CB 0.158 40.959 40.800 0.000 0.000 0.906 385 D HN 0.113 nan 8.370 nan 0.000 0.528 386 M N -0.423 119.173 119.600 -0.007 0.000 2.762 386 M HA 0.258 4.738 4.480 -0.000 0.000 0.306 386 M C 0.838 177.076 176.300 -0.103 0.000 1.223 386 M CA -0.761 54.520 55.300 -0.032 0.000 0.896 386 M CB 2.130 34.789 32.600 0.099 0.000 1.684 386 M HN -0.312 nan 8.290 nan 0.000 0.491 387 S N -0.045 115.481 115.700 -0.289 0.000 2.496 387 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 387 S C 1.305 175.767 174.600 -0.230 0.000 0.996 387 S CA 0.791 58.818 58.200 -0.289 0.000 0.927 387 S CB -0.222 62.755 63.200 -0.371 0.000 0.774 387 S HN 0.478 nan 8.310 nan 0.000 0.524 388 F N 1.947 121.873 119.950 -0.040 0.000 2.171 388 F HA 0.037 4.564 4.527 -0.000 0.000 0.300 388 F C -0.611 175.161 175.800 -0.047 0.000 1.090 388 F CA 0.383 58.363 58.000 -0.034 0.000 1.293 388 F CB -2.046 36.933 39.000 -0.034 0.000 1.013 388 F HN 0.180 nan 8.300 nan 0.000 0.486 389 P HA -0.199 nan 4.420 nan 0.000 0.215 389 P C 1.563 178.846 177.300 -0.029 0.000 1.153 389 P CA 1.657 64.748 63.100 -0.015 0.000 0.853 389 P CB -0.123 31.524 31.700 -0.089 0.000 0.788 390 R N 0.082 120.564 120.500 -0.030 0.000 2.073 390 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 390 R C 2.193 178.469 176.300 -0.041 0.000 1.134 390 R CA 1.423 57.500 56.100 -0.038 0.000 0.952 390 R CB -0.964 29.323 30.300 -0.022 0.000 0.850 390 R HN 0.133 nan 8.270 nan 0.000 0.433 391 L N 0.782 121.999 121.223 -0.009 0.000 2.046 391 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 391 L C 2.552 179.429 176.870 0.011 0.000 1.077 391 L CA 0.665 55.517 54.840 0.022 0.000 0.747 391 L CB -0.586 41.505 42.059 0.053 0.000 0.896 391 L HN 0.273 nan 8.230 nan 0.000 0.432 392 L N 0.147 121.387 121.223 0.028 0.000 2.012 392 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 392 L C 2.294 179.117 176.870 -0.079 0.000 1.073 392 L CA 1.865 56.706 54.840 0.002 0.000 0.748 392 L CB -0.750 41.325 42.059 0.026 0.000 0.891 392 L HN 0.257 nan 8.230 nan 0.000 0.431 393 N N -0.396 118.237 118.700 -0.111 0.000 2.188 393 N HA -0.168 4.572 4.740 -0.000 0.000 0.184 393 N C 1.713 177.030 175.510 -0.321 0.000 1.018 393 N CA 1.579 54.523 53.050 -0.177 0.000 0.858 393 N CB -0.046 38.350 38.487 -0.153 0.000 0.989 393 N HN 0.574 nan 8.380 nan 0.000 0.426 394 E N 0.514 120.499 120.200 -0.357 0.000 2.107 394 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 394 E C 1.941 178.140 176.600 -0.668 0.000 0.982 394 E CA 0.454 56.469 56.400 -0.641 0.000 0.809 394 E CB 0.040 29.549 29.700 -0.318 0.000 0.756 394 E HN 0.004 nan 8.360 nan 0.000 0.459 395 V N 1.002 120.711 119.914 -0.343 0.000 2.515 395 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 395 V C 1.943 177.835 176.094 -0.336 0.000 1.058 395 V CA 1.164 63.306 62.300 -0.263 0.000 1.064 395 V CB -0.122 31.723 31.823 0.037 0.000 0.675 395 V HN 0.328 nan 8.190 nan 0.000 0.461 396 M N -1.293 118.134 119.600 -0.288 0.000 2.460 396 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 396 M C 2.253 178.380 176.300 -0.289 0.000 1.071 396 M CA 1.373 56.541 55.300 -0.220 0.000 1.096 396 M CB -2.024 30.479 32.600 -0.162 0.000 1.408 396 M HN 0.635 nan 8.290 nan 0.000 0.463 397 C N 0.104 119.100 119.300 -0.507 0.000 2.425 397 C HA -0.207 4.253 4.460 -0.000 0.000 0.277 397 C C 2.559 177.289 174.990 -0.433 0.000 1.280 397 C CA 0.795 59.491 59.018 -0.537 0.000 1.744 397 C CB -0.996 26.313 27.740 -0.719 0.000 1.989 397 C HN 0.505 nan 8.230 nan 0.000 0.491 398 Y N 2.043 122.211 120.300 -0.220 0.000 2.200 398 Y HA 0.038 4.588 4.550 -0.000 0.000 0.290 398 Y C 0.067 176.068 175.900 0.167 0.000 1.137 398 Y CA 1.197 59.267 58.100 -0.050 0.000 1.163 398 Y CB -2.310 36.151 38.460 0.002 0.000 0.988 398 Y HN 0.387 nan 8.280 nan 0.000 0.518 399 P HA -0.059 nan 4.420 nan 0.000 0.229 399 P C 1.279 178.634 177.300 0.091 0.000 1.160 399 P CA 1.392 64.565 63.100 0.121 0.000 0.777 399 P CB -0.013 31.717 31.700 0.051 0.000 0.814 400 L N -1.749 119.519 121.223 0.076 0.000 2.202 400 L HA 0.145 4.485 4.340 -0.000 0.000 0.205 400 L C 1.742 178.653 176.870 0.067 0.000 1.083 400 L CA 0.218 55.065 54.840 0.011 0.000 0.790 400 L CB -0.492 41.520 42.059 -0.078 0.000 0.942 400 L HN -0.020 nan 8.230 nan 0.000 0.452 401 F N -0.637 119.256 119.950 -0.094 0.000 2.364 401 F HA 0.345 4.872 4.527 -0.000 0.000 0.316 401 F C 0.538 176.312 175.800 -0.043 0.000 1.133 401 F CA -0.961 56.979 58.000 -0.101 0.000 1.051 401 F CB 0.480 39.448 39.000 -0.053 0.000 1.342 401 F HN -0.072 nan 8.300 nan 0.000 0.507 402 D N 1.072 121.163 120.400 -0.514 0.000 2.689 402 D HA -0.076 4.564 4.640 -0.000 0.000 0.237 402 D C -0.010 176.124 176.300 -0.276 0.000 1.148 402 D CA 1.601 55.294 54.000 -0.512 0.000 0.656 402 D CB -1.381 38.894 40.800 -0.875 0.000 1.050 402 D HN 1.481 nan 8.370 nan 0.000 0.426 403 G N -0.639 107.994 108.800 -0.279 0.000 3.341 403 G HA2 0.277 4.237 3.960 -0.000 0.000 0.374 403 G HA3 0.277 4.237 3.960 -0.000 0.000 0.374 403 G C 0.649 175.477 174.900 -0.120 0.000 0.885 403 G CA 0.111 45.067 45.100 -0.240 0.000 0.740 403 G HN 1.002 nan 8.290 nan 0.000 0.390 404 G N 1.618 110.362 108.800 -0.093 0.000 2.554 404 G HA2 0.363 4.323 3.960 -0.000 0.000 0.238 404 G HA3 0.363 4.323 3.960 -0.000 0.000 0.238 404 G C 1.031 175.913 174.900 -0.029 0.000 1.259 404 G CA 0.276 45.351 45.100 -0.043 0.000 0.843 404 G HN 0.686 nan 8.290 nan 0.000 0.582 405 N N 0.477 119.173 118.700 -0.006 0.000 2.142 405 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 405 N C 2.179 177.683 175.510 -0.010 0.000 1.023 405 N CA 0.707 53.756 53.050 -0.002 0.000 0.852 405 N CB -0.084 38.410 38.487 0.012 0.000 0.998 405 N HN 0.397 nan 8.380 nan 0.000 0.424 406 I N 0.123 120.685 120.570 -0.013 0.000 2.233 406 I HA -0.031 4.139 4.170 -0.000 0.000 0.243 406 I C 2.283 178.392 176.117 -0.014 0.000 1.093 406 I CA 1.154 62.447 61.300 -0.013 0.000 1.380 406 I CB -1.594 36.398 38.000 -0.013 0.000 1.067 406 I HN 0.098 nan 8.210 nan 0.000 0.413 407 G N -0.200 108.589 108.800 -0.018 0.000 2.492 407 G HA2 0.085 4.045 3.960 -0.000 0.000 0.214 407 G HA3 0.085 4.045 3.960 -0.000 0.000 0.214 407 G C 1.729 176.623 174.900 -0.010 0.000 1.147 407 G CA 0.151 45.243 45.100 -0.012 0.000 0.809 407 G HN 0.237 nan 8.290 nan 0.000 0.533 408 L N -0.984 120.225 121.223 -0.024 0.000 2.546 408 L HA 0.282 4.622 4.340 -0.000 0.000 0.182 408 L C 2.881 179.735 176.870 -0.027 0.000 1.167 408 L CA -0.215 54.610 54.840 -0.025 0.000 0.845 408 L CB -0.075 41.943 42.059 -0.069 0.000 1.134 408 L HN -0.137 nan 8.230 nan 0.000 0.500 409 R N 0.647 121.126 120.500 -0.035 0.000 2.096 409 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 409 R C 2.169 178.453 176.300 -0.026 0.000 1.127 409 R CA 1.249 57.332 56.100 -0.028 0.000 0.968 409 R CB -0.798 29.489 30.300 -0.021 0.000 0.861 409 R HN 0.302 nan 8.270 nan 0.000 0.440 410 R N -0.017 120.470 120.500 -0.023 0.000 2.115 410 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 410 R C 2.179 178.456 176.300 -0.037 0.000 1.100 410 R CA 0.917 57.001 56.100 -0.027 0.000 0.980 410 R CB -0.094 30.195 30.300 -0.019 0.000 0.875 410 R HN -0.023 nan 8.270 nan 0.000 0.445 411 R N 0.637 121.119 120.500 -0.030 0.000 2.092 411 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 411 R C 2.100 178.377 176.300 -0.039 0.000 1.119 411 R CA 1.310 57.390 56.100 -0.032 0.000 0.970 411 R CB -0.279 30.010 30.300 -0.018 0.000 0.864 411 R HN 0.314 nan 8.270 nan 0.000 0.440 412 Q N -0.586 119.195 119.800 -0.031 0.000 2.079 412 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 412 Q C 2.066 178.028 176.000 -0.064 0.000 0.974 412 Q CA 1.535 57.320 55.803 -0.029 0.000 0.840 412 Q CB -0.120 28.613 28.738 -0.008 0.000 0.898 412 Q HN 0.303 nan 8.270 nan 0.000 0.430 413 M N 0.534 120.089 119.600 -0.074 0.000 2.117 413 M HA -0.256 4.224 4.480 -0.000 0.000 0.262 413 M C 2.301 178.505 176.300 -0.159 0.000 1.065 413 M CA 1.600 56.834 55.300 -0.110 0.000 1.114 413 M CB -0.027 32.520 32.600 -0.088 0.000 1.361 413 M HN 0.151 nan 8.290 nan 0.000 0.408 414 Q N 0.097 119.820 119.800 -0.128 0.000 2.135 414 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 414 Q C 2.188 178.091 176.000 -0.162 0.000 0.981 414 Q CA 1.661 57.378 55.803 -0.144 0.000 0.856 414 Q CB -0.286 28.396 28.738 -0.093 0.000 0.902 414 Q HN 0.485 nan 8.270 nan 0.000 0.425 415 R N -0.107 120.319 120.500 -0.123 0.000 2.081 415 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 415 R C 2.085 178.301 176.300 -0.140 0.000 1.131 415 R CA 1.497 57.533 56.100 -0.107 0.000 0.960 415 R CB -0.195 30.065 30.300 -0.068 0.000 0.856 415 R HN 0.258 nan 8.270 nan 0.000 0.436 416 V N 1.251 121.061 119.914 -0.174 0.000 2.358 416 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 416 V C 2.455 178.290 176.094 -0.430 0.000 1.047 416 V CA 1.823 64.001 62.300 -0.203 0.000 1.035 416 V CB -0.356 31.365 31.823 -0.170 0.000 0.658 416 V HN 0.354 nan 8.190 nan 0.000 0.452 417 M N -0.034 119.159 119.600 -0.678 0.000 2.213 417 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 417 M C 2.108 178.070 176.300 -0.564 0.000 1.062 417 M CA 1.860 56.456 55.300 -1.173 0.000 1.105 417 M CB -0.456 31.654 32.600 -0.817 0.000 1.385 417 M HN 0.372 nan 8.290 nan 0.000 0.417 418 A N 0.237 122.877 122.820 -0.300 0.000 2.208 418 A HA 0.216 4.536 4.320 -0.000 0.000 0.209 418 A C 0.991 178.522 177.584 -0.088 0.000 1.161 418 A CA -0.001 51.944 52.037 -0.152 0.000 0.782 418 A CB -0.422 18.510 19.000 -0.113 0.000 0.816 418 A HN 0.325 nan 8.150 nan 0.000 0.477 419 L N -0.035 121.137 121.223 -0.085 0.000 2.456 419 L HA 0.032 4.372 4.340 -0.000 0.000 0.272 419 L C 1.639 178.527 176.870 0.030 0.000 1.189 419 L CA -0.137 54.693 54.840 -0.016 0.000 0.846 419 L CB 0.524 42.585 42.059 0.004 0.000 1.111 419 L HN 0.485 nan 8.230 nan 0.000 0.475 420 E N 1.312 121.527 120.200 0.026 0.000 2.153 420 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 420 E C 0.837 177.466 176.600 0.049 0.000 0.988 420 E CA 1.435 57.854 56.400 0.032 0.000 0.811 420 E CB 0.229 29.940 29.700 0.019 0.000 0.746 420 E HN 0.782 nan 8.360 nan 0.000 0.466 421 D N -0.648 119.784 120.400 0.054 0.000 2.427 421 D HA -0.118 4.522 4.640 -0.000 0.000 0.224 421 D C -0.227 176.115 176.300 0.070 0.000 1.157 421 D CA -0.549 53.480 54.000 0.047 0.000 0.828 421 D CB -0.804 40.015 40.800 0.032 0.000 0.974 421 D HN 0.245 nan 8.370 nan 0.000 0.498 422 Y N 1.969 122.241 120.300 -0.048 0.000 2.729 422 Y HA 0.012 4.562 4.550 -0.000 0.000 0.331 422 Y C -0.176 175.672 175.900 -0.086 0.000 1.208 422 Y CA 0.242 58.296 58.100 -0.076 0.000 1.521 422 Y CB 0.457 38.862 38.460 -0.091 0.000 1.233 422 Y HN -0.079 nan 8.280 nan 0.000 0.539 423 E N 9.211 129.122 120.200 -0.482 0.000 2.149 423 E HA 0.131 4.481 4.350 -0.000 0.000 0.255 423 E C -1.865 174.211 176.600 -0.874 0.000 0.888 423 E CA -1.999 54.076 56.400 -0.542 0.000 0.742 423 E CB 1.143 30.711 29.700 -0.220 0.000 1.164 423 E HN 0.598 nan 8.360 nan 0.000 0.422 424 P HA -0.170 nan 4.420 nan 0.000 0.216 424 P C 0.122 176.866 177.300 -0.928 0.000 1.150 424 P CA 1.308 63.584 63.100 -1.374 0.000 0.837 424 P CB 0.093 30.861 31.700 -1.554 0.000 0.786 425 W N -1.101 120.105 121.300 -0.157 0.000 3.067 425 W HA 0.569 5.229 4.660 -0.000 0.000 0.417 425 W C 1.853 178.343 176.519 -0.049 0.000 1.029 425 W CA -0.299 57.013 57.345 -0.055 0.000 1.992 425 W CB -0.421 29.095 29.460 0.093 0.000 1.122 425 W HN -0.101 nan 8.180 nan 0.000 0.681 426 A N 0.927 123.771 122.820 0.039 0.000 2.019 426 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 426 A C 2.164 179.765 177.584 0.028 0.000 1.164 426 A CA 1.928 53.983 52.037 0.030 0.000 0.644 426 A CB -0.555 18.426 19.000 -0.032 0.000 0.805 426 A HN 0.272 nan 8.150 nan 0.000 0.449 427 A N -1.564 121.264 122.820 0.013 0.000 2.119 427 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 427 A C 2.094 179.658 177.584 -0.033 0.000 1.152 427 A CA 1.923 53.955 52.037 -0.008 0.000 0.708 427 A CB -0.431 18.561 19.000 -0.013 0.000 0.805 427 A HN 0.407 nan 8.150 nan 0.000 0.460 428 T N -2.572 111.946 114.554 -0.060 0.000 3.087 428 T HA 0.128 4.478 4.350 -0.000 0.000 0.237 428 T C 1.055 175.584 174.700 -0.285 0.000 0.990 428 T CA 0.780 62.725 62.100 -0.258 0.000 1.160 428 T CB -0.156 68.420 68.868 -0.486 0.000 0.923 428 T HN 0.519 nan 8.240 nan 0.000 0.442 429 Y N 1.183 121.518 120.300 0.058 0.000 2.507 429 Y HA 0.459 5.009 4.550 -0.000 0.000 0.254 429 Y C 1.432 177.351 175.900 0.031 0.000 1.171 429 Y CA -0.313 57.805 58.100 0.032 0.000 1.238 429 Y CB 0.581 39.058 38.460 0.029 0.000 1.148 429 Y HN 0.416 nan 8.280 nan 0.000 0.525 430 G N 0.652 109.535 108.800 0.138 0.000 2.828 430 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.463 430 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.463 430 G C -0.350 174.597 174.900 0.078 0.000 1.394 430 G CA -0.411 44.741 45.100 0.086 0.000 0.862 430 G HN 0.188 nan 8.290 nan 0.000 0.540 431 S N 0.000 115.728 115.700 0.046 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.219 58.200 0.031 0.000 1.107 431 S CB 0.000 63.211 63.200 0.019 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517