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 3luy_1_A DATA FIRST_RESID 2 DATA SEQUENCE SARKLFYLGP QGTFTHQAAV NAAQELARFE PQGFDLXPXD DVPQILDAAQ DATA SEQUENCE HGDGWGIVAW ENNVEGYVVP NLDALIDAKD LVGFARVGVN VEFDAYVAQG DATA SEQUENCE ADPAEARIAT AHPHGLAQCK RFIAEHRLST QPATSNAAAC RDLIPGEIAF DATA SEQUENCE GPAICGELYD ITRIGTAIQD YQGAATDFLV LSPRAEVARL LAKPRAEANV DATA SEQUENCE EYESVLTLIP LVTGPGVLAN LLDVFRDAGL NXTSFISRPI KGRTGTYSFI DATA SEQUENCE VTLDAAPWEE RFRDALVEIA EHGDWAKTLA VYPRREHPNP PVTSWXLPQG DATA SEQUENCE GVRLDDSHLP DDWQNDETVR RELXW 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.514 174.600 -0.143 0.000 1.055 2 S CA 0.000 58.143 58.200 -0.095 0.000 1.107 2 S CB 0.000 63.152 63.200 -0.080 0.000 0.593 3 A N 1.262 123.994 122.820 -0.146 0.000 2.531 3 A HA 0.492 4.812 4.320 -0.000 0.000 0.236 3 A C 0.303 177.727 177.584 -0.265 0.000 1.062 3 A CA 0.379 52.290 52.037 -0.209 0.000 0.760 3 A CB -0.133 18.781 19.000 -0.143 0.000 0.995 3 A HN 0.640 nan 8.150 nan 0.000 0.501 4 R N 1.769 122.012 120.500 -0.428 0.000 2.401 4 R HA 0.189 4.529 4.340 -0.000 0.000 0.299 4 R C -0.258 175.881 176.300 -0.268 0.000 1.064 4 R CA 0.543 56.367 56.100 -0.461 0.000 1.000 4 R CB 0.116 29.945 30.300 -0.786 0.000 0.973 4 R HN 0.654 nan 8.270 nan 0.000 0.438 5 K N 3.739 123.958 120.400 -0.301 0.000 2.270 5 K HA 0.202 4.522 4.320 -0.000 0.000 0.276 5 K C -0.792 175.578 176.600 -0.384 0.000 1.023 5 K CA -0.554 55.501 56.287 -0.387 0.000 0.955 5 K CB 0.736 32.869 32.500 -0.612 0.000 0.975 5 K HN 0.295 nan 8.250 nan 0.000 0.471 6 L N 4.805 125.850 121.223 -0.298 0.000 2.377 6 L HA 0.362 4.702 4.340 -0.000 0.000 0.270 6 L C -1.508 175.302 176.870 -0.099 0.000 0.991 6 L CA -0.402 54.373 54.840 -0.109 0.000 0.851 6 L CB 0.485 42.546 42.059 0.003 0.000 1.218 6 L HN 0.363 nan 8.230 nan 0.000 0.420 7 F N 5.988 126.052 119.950 0.191 0.000 2.438 7 F HA 0.489 5.016 4.527 -0.000 0.000 0.356 7 F C 0.077 175.989 175.800 0.188 0.000 1.099 7 F CA -0.093 57.987 58.000 0.133 0.000 1.185 7 F CB 0.250 39.306 39.000 0.094 0.000 1.115 7 F HN 0.505 nan 8.300 nan 0.000 0.526 8 Y N 1.262 121.673 120.300 0.186 0.000 2.609 8 Y HA 0.695 5.244 4.550 -0.000 0.000 0.342 8 Y C -1.336 174.624 175.900 0.101 0.000 1.058 8 Y CA -2.216 55.953 58.100 0.115 0.000 1.055 8 Y CB 0.801 39.281 38.460 0.032 0.000 1.292 8 Y HN 0.387 nan 8.280 nan 0.000 0.476 9 L N 3.534 124.877 121.223 0.200 0.000 2.456 9 L HA 0.499 4.838 4.340 -0.000 0.000 0.277 9 L C 0.636 177.539 176.870 0.055 0.000 1.124 9 L CA 0.589 55.485 54.840 0.094 0.000 0.880 9 L CB -0.283 41.885 42.059 0.182 0.000 1.192 9 L HN 0.956 nan 8.230 nan 0.000 0.463 10 G N 5.868 114.574 108.800 -0.157 0.000 2.653 10 G HA2 0.395 4.355 3.960 -0.000 0.000 0.265 10 G HA3 0.395 4.355 3.960 -0.000 0.000 0.265 10 G C -2.445 172.494 174.900 0.065 0.000 1.237 10 G CA -0.679 44.361 45.100 -0.100 0.000 0.946 10 G HN 0.630 nan 8.290 nan 0.000 0.522 11 P HA 0.199 nan 4.420 nan 0.000 0.306 11 P C -0.525 176.900 177.300 0.209 0.000 1.309 11 P CA -0.644 62.511 63.100 0.092 0.000 0.759 11 P CB 0.727 32.489 31.700 0.104 0.000 1.314 12 Q N -0.936 118.999 119.800 0.225 0.000 2.315 12 Q HA 0.309 4.649 4.340 -0.000 0.000 0.289 12 Q C 0.968 177.202 176.000 0.391 0.000 1.044 12 Q CA 1.379 57.392 55.803 0.351 0.000 0.920 12 Q CB -0.267 28.610 28.738 0.230 0.000 1.214 12 Q HN 0.896 nan 8.270 nan 0.000 0.392 13 G N 1.521 110.585 108.800 0.441 0.000 2.195 13 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.224 13 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.224 13 G C 0.336 175.229 174.900 -0.011 0.000 0.990 13 G CA 0.077 45.242 45.100 0.109 0.000 0.639 13 G HN 0.719 nan 8.290 nan 0.000 0.514 14 T N -1.340 113.273 114.554 0.098 0.000 2.766 14 T HA 0.555 4.905 4.350 -0.000 0.000 0.295 14 T C 1.230 175.877 174.700 -0.089 0.000 1.024 14 T CA 0.242 62.350 62.100 0.014 0.000 1.018 14 T CB 0.635 69.616 68.868 0.188 0.000 1.002 14 T HN 0.110 nan 8.240 nan 0.000 0.532 15 F N 0.477 120.452 119.950 0.042 0.000 2.216 15 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 15 F C 2.956 178.707 175.800 -0.081 0.000 1.085 15 F CA 1.184 59.178 58.000 -0.011 0.000 1.326 15 F CB -1.320 37.719 39.000 0.065 0.000 1.027 15 F HN 0.597 nan 8.300 nan 0.000 0.497 16 T N -2.087 112.598 114.554 0.217 0.000 2.867 16 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 16 T C 1.821 176.444 174.700 -0.127 0.000 1.057 16 T CA 1.532 63.661 62.100 0.048 0.000 1.136 16 T CB -0.578 68.501 68.868 0.351 0.000 0.874 16 T HN 0.477 nan 8.240 nan 0.000 0.466 17 H N 0.549 119.473 119.070 -0.243 0.000 2.321 17 H HA -0.143 4.413 4.556 -0.000 0.000 0.300 17 H C 2.611 177.636 175.328 -0.505 0.000 1.087 17 H CA 1.462 57.085 56.048 -0.708 0.000 1.319 17 H CB 0.100 29.591 29.762 -0.451 0.000 1.379 17 H HN 0.208 nan 8.280 nan 0.000 0.501 18 Q N 0.843 120.482 119.800 -0.268 0.000 2.152 18 Q HA -0.153 4.186 4.340 -0.000 0.000 0.206 18 Q C 2.271 178.080 176.000 -0.318 0.000 0.985 18 Q CA 1.824 57.453 55.803 -0.289 0.000 0.863 18 Q CB -0.434 28.198 28.738 -0.176 0.000 0.904 18 Q HN 0.554 nan 8.270 nan 0.000 0.422 19 A N 0.187 122.726 122.820 -0.467 0.000 1.902 19 A HA -0.070 4.249 4.320 -0.000 0.000 0.217 19 A C 2.308 179.645 177.584 -0.413 0.000 1.181 19 A CA 1.863 53.520 52.037 -0.635 0.000 0.623 19 A CB -1.224 16.902 19.000 -1.457 0.000 0.818 19 A HN 0.555 nan 8.150 nan 0.000 0.443 20 A N -0.512 122.090 122.820 -0.363 0.000 1.902 20 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 20 A C 2.240 179.669 177.584 -0.259 0.000 1.181 20 A CA 1.858 53.725 52.037 -0.284 0.000 0.623 20 A CB -1.005 17.797 19.000 -0.330 0.000 0.818 20 A HN 0.405 nan 8.150 nan 0.000 0.443 21 V N 1.037 120.809 119.914 -0.237 0.000 2.287 21 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 21 V C 2.307 178.291 176.094 -0.183 0.000 1.053 21 V CA 2.280 64.464 62.300 -0.193 0.000 1.027 21 V CB -1.102 30.595 31.823 -0.210 0.000 0.646 21 V HN 0.569 nan 8.190 nan 0.000 0.447 22 N N 0.703 119.285 118.700 -0.197 0.000 2.104 22 N HA -0.135 4.604 4.740 -0.000 0.000 0.190 22 N C 1.838 177.239 175.510 -0.181 0.000 1.024 22 N CA 1.726 54.676 53.050 -0.166 0.000 0.853 22 N CB -0.672 37.716 38.487 -0.165 0.000 1.008 22 N HN 0.506 nan 8.380 nan 0.000 0.424 23 A N 0.883 123.560 122.820 -0.239 0.000 1.877 23 A HA 0.050 4.370 4.320 -0.000 0.000 0.216 23 A C 2.356 179.735 177.584 -0.341 0.000 1.186 23 A CA 1.929 53.797 52.037 -0.281 0.000 0.620 23 A CB -1.011 17.806 19.000 -0.304 0.000 0.822 23 A HN 0.306 nan 8.150 nan 0.000 0.443 24 A N -0.752 121.813 122.820 -0.425 0.000 1.908 24 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 24 A C 2.132 179.664 177.584 -0.086 0.000 1.181 24 A CA 1.956 53.697 52.037 -0.494 0.000 0.627 24 A CB -0.602 18.239 19.000 -0.265 0.000 0.818 24 A HN 0.656 nan 8.150 nan 0.000 0.445 25 Q N -1.071 118.691 119.800 -0.063 0.000 2.020 25 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 25 Q C 2.219 178.244 176.000 0.042 0.000 0.982 25 Q CA 1.645 57.454 55.803 0.009 0.000 0.838 25 Q CB -0.193 28.533 28.738 -0.020 0.000 0.899 25 Q HN 0.814 nan 8.270 nan 0.000 0.423 26 E N 0.346 120.542 120.200 -0.008 0.000 2.153 26 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 26 E C 1.134 177.808 176.600 0.124 0.000 0.988 26 E CA 0.714 57.130 56.400 0.027 0.000 0.811 26 E CB 0.150 29.823 29.700 -0.045 0.000 0.746 26 E HN 0.326 nan 8.360 nan 0.000 0.466 27 L N -0.100 121.190 121.223 0.111 0.000 2.700 27 L HA 0.250 4.589 4.340 -0.000 0.000 0.234 27 L C 2.024 179.275 176.870 0.635 0.000 1.156 27 L CA 0.029 55.029 54.840 0.265 0.000 0.946 27 L CB 0.283 42.360 42.059 0.031 0.000 1.216 27 L HN 0.076 nan 8.230 nan 0.000 0.493 28 A N 1.625 124.725 122.820 0.465 0.000 1.948 28 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 28 A C 2.434 180.228 177.584 0.349 0.000 1.177 28 A CA 1.818 54.105 52.037 0.417 0.000 0.636 28 A CB -0.425 18.722 19.000 0.244 0.000 0.815 28 A HN 0.587 nan 8.150 nan 0.000 0.449 29 R N -1.512 119.202 120.500 0.358 0.000 2.189 29 R HA -0.012 4.328 4.340 -0.000 0.000 0.218 29 R C 1.512 177.907 176.300 0.159 0.000 1.074 29 R CA 1.488 57.697 56.100 0.182 0.000 0.991 29 R CB -0.682 29.655 30.300 0.062 0.000 0.883 29 R HN 0.484 nan 8.270 nan 0.000 0.457 30 F N 1.399 121.487 119.950 0.230 0.000 2.367 30 F HA 0.094 4.621 4.527 -0.000 0.000 0.298 30 F C 0.749 176.634 175.800 0.142 0.000 1.094 30 F CA 0.477 58.637 58.000 0.266 0.000 1.409 30 F CB 0.316 39.624 39.000 0.514 0.000 1.064 30 F HN -0.064 nan 8.300 nan 0.000 0.528 31 E N -0.205 120.132 120.200 0.227 0.000 2.914 31 E HA 0.186 4.535 4.350 -0.000 0.000 0.246 31 E C -2.085 174.420 176.600 -0.158 0.000 1.146 31 E CA -1.550 54.763 56.400 -0.145 0.000 0.803 31 E CB 0.995 30.283 29.700 -0.687 0.000 1.409 31 E HN 0.050 nan 8.360 nan 0.000 0.392 32 P HA -0.222 nan 4.420 nan 0.000 0.217 32 P C 1.427 178.678 177.300 -0.082 0.000 1.148 32 P CA 1.297 64.369 63.100 -0.046 0.000 0.828 32 P CB 0.376 32.055 31.700 -0.035 0.000 0.783 33 Q N 0.062 119.781 119.800 -0.135 0.000 2.482 33 Q HA 0.116 4.456 4.340 -0.000 0.000 0.209 33 Q C 0.925 176.819 176.000 -0.177 0.000 0.961 33 Q CA 1.145 56.867 55.803 -0.136 0.000 0.945 33 Q CB -1.043 27.613 28.738 -0.136 0.000 1.012 33 Q HN 0.159 nan 8.270 nan 0.000 0.515 34 G N 0.210 108.852 108.800 -0.264 0.000 2.660 34 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.247 34 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.247 34 G C -1.099 173.502 174.900 -0.499 0.000 1.328 34 G CA -0.425 44.529 45.100 -0.242 0.000 0.884 34 G HN 0.207 nan 8.290 nan 0.000 0.531 35 F N 0.146 120.059 119.950 -0.061 0.000 2.538 35 F HA 0.589 5.116 4.527 -0.000 0.000 0.325 35 F C 0.020 175.767 175.800 -0.087 0.000 1.066 35 F CA -0.433 57.510 58.000 -0.095 0.000 0.946 35 F CB 2.347 41.303 39.000 -0.073 0.000 1.199 35 F HN 0.450 nan 8.300 nan 0.000 0.473 36 D N 3.085 123.521 120.400 0.060 0.000 2.454 36 D HA 0.374 5.013 4.640 -0.000 0.000 0.225 36 D C -0.417 175.883 176.300 0.000 0.000 1.081 36 D CA -0.113 53.890 54.000 0.006 0.000 0.864 36 D CB 0.401 41.166 40.800 -0.057 0.000 1.040 36 D HN 0.346 nan 8.370 nan 0.000 0.517 42 D N 0.040 120.434 120.400 -0.010 0.000 2.643 42 D HA 0.201 4.840 4.640 -0.000 0.000 0.283 42 D C 0.943 177.255 176.300 0.020 0.000 1.242 42 D CA -0.505 53.503 54.000 0.013 0.000 0.863 42 D CB 2.123 42.930 40.800 0.011 0.000 1.382 42 D HN -0.217 nan 8.370 nan 0.000 0.444 43 V N 0.030 119.970 119.914 0.043 0.000 2.427 43 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 43 V C -0.934 175.185 176.094 0.042 0.000 1.051 43 V CA 1.673 64.010 62.300 0.061 0.000 1.048 43 V CB -1.449 30.422 31.823 0.081 0.000 0.666 43 V HN 0.513 nan 8.190 nan 0.000 0.456 44 P HA -0.143 nan 4.420 nan 0.000 0.220 44 P C 1.753 179.045 177.300 -0.013 0.000 1.148 44 P CA 1.272 64.379 63.100 0.012 0.000 0.803 44 P CB -0.014 31.689 31.700 0.005 0.000 0.782 45 Q N -1.020 118.760 119.800 -0.034 0.000 2.123 45 Q HA -0.069 4.271 4.340 -0.000 0.000 0.199 45 Q C 2.139 178.064 176.000 -0.126 0.000 0.966 45 Q CA 1.027 56.779 55.803 -0.084 0.000 0.845 45 Q CB -0.492 28.191 28.738 -0.093 0.000 0.907 45 Q HN 0.296 nan 8.270 nan 0.000 0.439 46 I N 0.503 121.033 120.570 -0.067 0.000 2.127 46 I HA -0.306 3.863 4.170 -0.000 0.000 0.241 46 I C 1.912 178.036 176.117 0.011 0.000 1.075 46 I CA 0.939 62.222 61.300 -0.028 0.000 1.334 46 I CB -0.280 37.779 38.000 0.099 0.000 1.040 46 I HN 0.195 nan 8.210 nan 0.000 0.405 47 L N 0.366 121.617 121.223 0.046 0.000 2.042 47 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 47 L C 2.077 178.973 176.870 0.043 0.000 1.076 47 L CA 1.856 56.739 54.840 0.072 0.000 0.749 47 L CB -1.103 41.001 42.059 0.075 0.000 0.893 47 L HN 0.216 nan 8.230 nan 0.000 0.432 48 D N -0.867 119.527 120.400 -0.011 0.000 2.097 48 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 48 D C 2.199 178.481 176.300 -0.031 0.000 0.989 48 D CA 1.317 55.302 54.000 -0.025 0.000 0.827 48 D CB 0.047 40.809 40.800 -0.065 0.000 0.966 48 D HN 0.265 nan 8.370 nan 0.000 0.456 49 A N 0.349 123.079 122.820 -0.150 0.000 1.930 49 A HA 0.027 4.346 4.320 -0.000 0.000 0.217 49 A C 2.249 179.864 177.584 0.051 0.000 1.175 49 A CA 1.981 53.887 52.037 -0.219 0.000 0.627 49 A CB -0.782 17.669 19.000 -0.916 0.000 0.815 49 A HN 0.257 nan 8.150 nan 0.000 0.443 50 A N -0.856 122.042 122.820 0.130 0.000 1.877 50 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 50 A C 2.171 179.897 177.584 0.237 0.000 1.186 50 A CA 1.788 54.003 52.037 0.298 0.000 0.620 50 A CB -0.560 18.620 19.000 0.301 0.000 0.822 50 A HN 0.612 nan 8.150 nan 0.000 0.443 51 Q N -1.822 118.082 119.800 0.174 0.000 2.230 51 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 51 Q C 1.807 177.917 176.000 0.183 0.000 0.963 51 Q CA 1.303 57.200 55.803 0.157 0.000 0.866 51 Q CB -0.126 28.684 28.738 0.121 0.000 0.931 51 Q HN 0.839 nan 8.270 nan 0.000 0.452 52 H N -1.159 117.952 119.070 0.068 0.000 2.524 52 H HA 0.062 4.618 4.556 -0.000 0.000 0.282 52 H C 0.912 176.291 175.328 0.085 0.000 1.016 52 H CA 1.450 57.533 56.048 0.058 0.000 1.270 52 H CB 0.154 29.934 29.762 0.031 0.000 1.394 52 H HN 0.424 nan 8.280 nan 0.000 0.568 53 G N 0.222 109.102 108.800 0.133 0.000 2.131 53 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.223 53 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.223 53 G C 0.698 175.671 174.900 0.122 0.000 0.990 53 G CA 0.457 45.615 45.100 0.097 0.000 0.671 53 G HN 0.465 nan 8.290 nan 0.000 0.521 54 D N 0.449 120.981 120.400 0.220 0.000 2.348 54 D HA 0.394 5.034 4.640 -0.000 0.000 0.216 54 D C 1.623 178.105 176.300 0.303 0.000 0.970 54 D CA 2.053 56.224 54.000 0.285 0.000 0.889 54 D CB 0.301 41.346 40.800 0.408 0.000 0.912 54 D HN 1.416 nan 8.370 nan 0.000 0.524 55 G N -1.237 107.766 108.800 0.338 0.000 2.343 55 G HA2 0.169 4.128 3.960 -0.000 0.000 0.289 55 G HA3 0.169 4.128 3.960 -0.000 0.000 0.289 55 G C -1.797 173.370 174.900 0.446 0.000 1.295 55 G CA -1.052 44.138 45.100 0.151 0.000 0.869 55 G HN -0.099 nan 8.290 nan 0.000 0.522 56 W N 0.318 121.743 121.300 0.208 0.000 2.448 56 W HA 0.709 5.369 4.660 -0.000 0.000 0.339 56 W C 0.619 177.314 176.519 0.294 0.000 1.124 56 W CA -0.593 56.908 57.345 0.260 0.000 1.262 56 W CB 1.416 31.027 29.460 0.251 0.000 1.251 56 W HN 0.903 nan 8.180 nan 0.000 0.597 57 G N 1.844 110.945 108.800 0.501 0.000 2.400 57 G HA2 0.682 4.642 3.960 -0.000 0.000 0.333 57 G HA3 0.682 4.642 3.960 -0.000 0.000 0.333 57 G C -1.666 173.382 174.900 0.246 0.000 1.143 57 G CA -0.790 44.540 45.100 0.383 0.000 0.914 57 G HN 0.470 nan 8.290 nan 0.000 0.480 58 I N 1.712 122.422 120.570 0.234 0.000 2.466 58 I HA 0.629 4.799 4.170 -0.000 0.000 0.289 58 I C -0.724 175.547 176.117 0.256 0.000 1.026 58 I CA -1.034 60.372 61.300 0.176 0.000 1.078 58 I CB 1.911 39.966 38.000 0.092 0.000 1.249 58 I HN 0.438 nan 8.210 nan 0.000 0.429 59 V N 4.329 124.405 119.914 0.271 0.000 2.841 59 V HA 0.849 4.969 4.120 -0.000 0.000 0.310 59 V C 0.111 176.385 176.094 0.300 0.000 1.090 59 V CA -0.651 61.827 62.300 0.296 0.000 0.930 59 V CB 1.310 33.271 31.823 0.230 0.000 1.014 59 V HN 0.873 nan 8.190 nan 0.000 0.425 60 A N 4.480 127.411 122.820 0.185 0.000 2.511 60 A HA 0.384 4.704 4.320 -0.000 0.000 0.242 60 A C 0.331 177.897 177.584 -0.030 0.000 1.069 60 A CA 0.278 52.130 52.037 -0.309 0.000 0.763 60 A CB 0.050 18.899 19.000 -0.252 0.000 1.001 60 A HN 1.327 nan 8.150 nan 0.000 0.498 61 W N 1.066 122.142 121.300 -0.375 0.000 3.954 61 W HA 0.257 4.917 4.660 -0.000 0.000 0.217 61 W C 0.166 176.551 176.519 -0.223 0.000 0.896 61 W CA 0.476 57.712 57.345 -0.181 0.000 2.196 61 W CB 0.302 29.675 29.460 -0.146 0.000 1.005 61 W HN 0.756 nan 8.180 nan 0.000 0.782 62 E N 1.810 121.844 120.200 -0.278 0.000 2.321 62 E HA 0.137 4.487 4.350 -0.000 0.000 0.278 62 E C -1.435 174.959 176.600 -0.344 0.000 0.902 62 E CA -0.453 55.645 56.400 -0.503 0.000 0.758 62 E CB 1.847 31.110 29.700 -0.728 0.000 1.213 62 E HN -0.089 nan 8.360 nan 0.000 0.426 63 N N 2.704 121.217 118.700 -0.312 0.000 2.361 63 N HA 0.098 4.837 4.740 -0.000 0.000 0.302 63 N C 0.340 175.734 175.510 -0.192 0.000 1.074 63 N CA -0.289 52.630 53.050 -0.218 0.000 0.850 63 N CB 1.183 39.560 38.487 -0.184 0.000 1.228 63 N HN 0.662 nan 8.380 nan 0.000 0.491 64 N N 2.618 121.236 118.700 -0.137 0.000 2.396 64 N HA -0.099 4.641 4.740 -0.000 0.000 0.180 64 N C 1.129 176.577 175.510 -0.104 0.000 1.028 64 N CA 1.129 54.113 53.050 -0.110 0.000 0.893 64 N CB -0.210 38.239 38.487 -0.062 0.000 0.967 64 N HN 0.269 nan 8.380 nan 0.000 0.440 65 V N 0.495 120.340 119.914 -0.115 0.000 2.685 65 V HA 0.074 4.193 4.120 -0.000 0.000 0.244 65 V C 1.752 177.769 176.094 -0.128 0.000 1.054 65 V CA 1.092 63.300 62.300 -0.152 0.000 1.076 65 V CB -0.118 31.558 31.823 -0.246 0.000 0.725 65 V HN 0.203 nan 8.190 nan 0.000 0.467 66 E N -0.128 120.002 120.200 -0.116 0.000 2.498 66 E HA 0.328 4.678 4.350 -0.000 0.000 0.203 66 E C 1.144 177.679 176.600 -0.109 0.000 1.013 66 E CA 0.753 57.093 56.400 -0.100 0.000 0.927 66 E CB 0.913 30.559 29.700 -0.090 0.000 1.012 66 E HN 0.514 nan 8.360 nan 0.000 0.482 67 G N 1.234 109.950 108.800 -0.139 0.000 2.642 67 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.231 67 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.231 67 G C -0.565 174.195 174.900 -0.233 0.000 1.338 67 G CA -0.520 44.489 45.100 -0.152 0.000 0.883 67 G HN 0.159 nan 8.290 nan 0.000 0.570 68 Y N -0.732 119.427 120.300 -0.234 0.000 2.480 68 Y HA 0.324 4.874 4.550 -0.000 0.000 0.338 68 Y C 1.411 177.137 175.900 -0.290 0.000 1.220 68 Y CA 0.430 58.321 58.100 -0.348 0.000 1.430 68 Y CB 0.914 39.123 38.460 -0.419 0.000 1.311 68 Y HN 0.392 nan 8.280 nan 0.000 0.575 69 V N 5.231 125.047 119.914 -0.164 0.000 2.326 69 V HA -0.047 4.073 4.120 -0.000 0.000 0.249 69 V C 0.840 176.862 176.094 -0.119 0.000 1.114 69 V CA -0.160 62.066 62.300 -0.123 0.000 1.028 69 V CB -0.383 31.376 31.823 -0.106 0.000 1.170 69 V HN 0.834 nan 8.190 nan 0.000 0.494 70 V N 6.436 126.290 119.914 -0.101 0.000 2.332 70 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 70 V C -0.011 176.027 176.094 -0.094 0.000 1.055 70 V CA 2.254 64.481 62.300 -0.122 0.000 1.038 70 V CB -1.189 30.569 31.823 -0.108 0.000 0.651 70 V HN 0.695 nan 8.190 nan 0.000 0.450 71 P HA -0.080 nan 4.420 nan 0.000 0.218 71 P C 1.165 178.468 177.300 0.005 0.000 1.148 71 P CA 1.233 64.317 63.100 -0.026 0.000 0.822 71 P CB -0.091 31.601 31.700 -0.013 0.000 0.784 72 N N -0.712 117.998 118.700 0.016 0.000 2.135 72 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 72 N C 1.612 177.213 175.510 0.152 0.000 1.027 72 N CA 0.660 53.772 53.050 0.102 0.000 0.849 72 N CB -1.363 37.211 38.487 0.146 0.000 1.002 72 N HN 0.054 nan 8.380 nan 0.000 0.425 73 L N 1.854 123.062 121.223 -0.025 0.000 1.978 73 L HA -0.207 4.132 4.340 -0.000 0.000 0.218 73 L C 1.282 178.176 176.870 0.040 0.000 1.075 73 L CA 2.004 56.789 54.840 -0.091 0.000 0.767 73 L CB -0.878 40.929 42.059 -0.419 0.000 0.890 73 L HN 0.042 nan 8.230 nan 0.000 0.434 74 D N -0.167 120.220 120.400 -0.021 0.000 2.144 74 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 74 D C 2.189 178.516 176.300 0.044 0.000 0.984 74 D CA 1.557 55.553 54.000 -0.007 0.000 0.834 74 D CB -0.300 40.474 40.800 -0.044 0.000 0.955 74 D HN 0.557 nan 8.370 nan 0.000 0.465 75 A N 0.463 123.322 122.820 0.065 0.000 1.930 75 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 75 A C 2.106 179.761 177.584 0.118 0.000 1.175 75 A CA 0.866 52.951 52.037 0.080 0.000 0.627 75 A CB -0.523 18.526 19.000 0.082 0.000 0.815 75 A HN 0.233 nan 8.150 nan 0.000 0.443 76 L N -0.131 121.197 121.223 0.175 0.000 2.109 76 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 76 L C 2.146 179.127 176.870 0.184 0.000 1.086 76 L CA 1.379 56.338 54.840 0.197 0.000 0.760 76 L CB -0.486 41.746 42.059 0.289 0.000 0.910 76 L HN 0.412 nan 8.230 nan 0.000 0.437 77 I N -0.120 120.562 120.570 0.187 0.000 2.194 77 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 77 I C 1.550 177.776 176.117 0.183 0.000 1.093 77 I CA 1.935 63.349 61.300 0.190 0.000 1.355 77 I CB -0.280 37.800 38.000 0.133 0.000 1.046 77 I HN 0.326 nan 8.210 nan 0.000 0.413 78 D N 0.507 120.979 120.400 0.120 0.000 2.340 78 D HA 0.193 4.832 4.640 -0.000 0.000 0.217 78 D C 0.630 176.992 176.300 0.102 0.000 1.081 78 D CA -0.010 54.048 54.000 0.096 0.000 0.842 78 D CB 0.199 41.023 40.800 0.042 0.000 0.934 78 D HN 0.238 nan 8.370 nan 0.000 0.511 79 A N 0.525 123.414 122.820 0.116 0.000 2.425 79 A HA 0.136 4.456 4.320 -0.000 0.000 0.242 79 A C 1.445 179.093 177.584 0.107 0.000 1.077 79 A CA -0.153 51.946 52.037 0.103 0.000 0.781 79 A CB 0.527 19.592 19.000 0.108 0.000 1.020 79 A HN 0.204 nan 8.150 nan 0.000 0.494 80 K N -0.379 120.077 120.400 0.092 0.000 2.167 80 K HA -0.063 4.256 4.320 -0.000 0.000 0.203 80 K C -0.375 176.277 176.600 0.086 0.000 1.052 80 K CA 1.578 57.918 56.287 0.089 0.000 0.956 80 K CB 0.203 32.749 32.500 0.076 0.000 0.735 80 K HN 0.691 nan 8.250 nan 0.000 0.451 81 D N 0.259 120.711 120.400 0.087 0.000 3.118 81 D HA 0.252 4.892 4.640 -0.000 0.000 0.259 81 D C -1.675 174.679 176.300 0.090 0.000 1.292 81 D CA -0.215 53.833 54.000 0.081 0.000 0.784 81 D CB 0.015 40.860 40.800 0.075 0.000 1.413 81 D HN 0.086 nan 8.370 nan 0.000 0.583 82 L N 0.468 121.746 121.223 0.091 0.000 2.434 82 L HA 0.765 5.105 4.340 -0.000 0.000 0.260 82 L C -1.056 175.863 176.870 0.082 0.000 0.983 82 L CA -1.198 53.699 54.840 0.095 0.000 0.820 82 L CB 2.652 44.777 42.059 0.109 0.000 1.361 82 L HN -0.023 nan 8.230 nan 0.000 0.410 83 V N 0.635 120.596 119.914 0.078 0.000 3.012 83 V HA 0.771 4.891 4.120 -0.000 0.000 0.307 83 V C -0.258 175.890 176.094 0.090 0.000 1.166 83 V CA -0.219 62.122 62.300 0.069 0.000 0.974 83 V CB 2.326 34.186 31.823 0.061 0.000 1.040 83 V HN 0.771 nan 8.190 nan 0.000 0.428 84 G N 3.574 112.397 108.800 0.038 0.000 2.415 84 G HA2 0.478 4.437 3.960 -0.000 0.000 0.269 84 G HA3 0.478 4.437 3.960 -0.000 0.000 0.269 84 G C -0.347 174.631 174.900 0.129 0.000 1.209 84 G CA 0.292 45.388 45.100 -0.007 0.000 0.835 84 G HN 1.338 nan 8.290 nan 0.000 0.534 85 F N -0.067 119.817 119.950 -0.111 0.000 2.915 85 F HA 0.731 5.258 4.527 -0.000 0.000 0.347 85 F C 0.294 176.066 175.800 -0.048 0.000 1.104 85 F CA -0.415 57.559 58.000 -0.044 0.000 1.126 85 F CB 0.312 39.232 39.000 -0.133 0.000 1.145 85 F HN 0.650 nan 8.300 nan 0.000 0.541 86 A N 1.481 123.937 122.820 -0.607 0.000 2.549 86 A HA 0.796 5.115 4.320 -0.000 0.000 0.297 86 A C -1.344 175.896 177.584 -0.573 0.000 1.061 86 A CA -0.896 50.820 52.037 -0.535 0.000 0.690 86 A CB 1.552 20.126 19.000 -0.710 0.000 1.287 86 A HN 0.377 nan 8.150 nan 0.000 0.402 87 R N 1.098 121.238 120.500 -0.599 0.000 2.451 87 R HA 0.625 4.964 4.340 -0.000 0.000 0.307 87 R C -1.379 174.725 176.300 -0.326 0.000 0.965 87 R CA -0.378 55.358 56.100 -0.607 0.000 0.865 87 R CB 1.587 31.219 30.300 -1.114 0.000 1.174 87 R HN 1.209 nan 8.270 nan 0.000 0.455 88 V N 1.157 120.964 119.914 -0.178 0.000 2.680 88 V HA 0.911 5.030 4.120 -0.000 0.000 0.309 88 V C -0.192 175.925 176.094 0.038 0.000 1.052 88 V CA -0.488 61.754 62.300 -0.096 0.000 0.908 88 V CB 1.783 33.524 31.823 -0.138 0.000 1.001 88 V HN 0.774 nan 8.190 nan 0.000 0.431 89 G N 2.450 111.261 108.800 0.017 0.000 2.389 89 G HA2 0.637 4.596 3.960 -0.000 0.000 0.328 89 G HA3 0.637 4.596 3.960 -0.000 0.000 0.328 89 G C -1.160 173.780 174.900 0.066 0.000 1.133 89 G CA -0.761 44.385 45.100 0.077 0.000 0.891 89 G HN 1.173 nan 8.290 nan 0.000 0.485 90 V N 2.517 122.515 119.914 0.140 0.000 2.482 90 V HA 0.226 4.346 4.120 -0.000 0.000 0.295 90 V C -0.620 175.488 176.094 0.023 0.000 1.026 90 V CA -1.403 60.943 62.300 0.076 0.000 0.856 90 V CB 1.468 33.351 31.823 0.100 0.000 1.001 90 V HN 0.685 nan 8.190 nan 0.000 0.424 91 N N 2.667 121.364 118.700 -0.006 0.000 2.412 91 N HA 0.084 4.824 4.740 -0.000 0.000 0.258 91 N C -0.135 175.302 175.510 -0.122 0.000 1.236 91 N CA 0.051 53.077 53.050 -0.041 0.000 0.882 91 N CB 1.407 39.885 38.487 -0.016 0.000 1.066 91 N HN 0.442 nan 8.380 nan 0.000 0.465 92 V N 3.298 123.079 119.914 -0.222 0.000 2.352 92 V HA 0.091 4.211 4.120 -0.000 0.000 0.253 92 V C 0.437 176.452 176.094 -0.131 0.000 1.083 92 V CA 0.062 62.077 62.300 -0.476 0.000 0.993 92 V CB -0.616 30.967 31.823 -0.400 0.000 1.111 92 V HN 0.515 nan 8.190 nan 0.000 0.490 93 E N 3.915 124.106 120.200 -0.014 0.000 2.234 93 E HA 0.530 4.879 4.350 -0.000 0.000 0.266 93 E C -1.367 175.281 176.600 0.079 0.000 0.877 93 E CA -0.583 55.875 56.400 0.096 0.000 0.758 93 E CB 2.400 32.143 29.700 0.073 0.000 1.170 93 E HN 0.473 nan 8.360 nan 0.000 0.415 94 F N 1.705 121.745 119.950 0.150 0.000 2.436 94 F HA 0.290 4.817 4.527 -0.000 0.000 0.340 94 F C 0.424 176.212 175.800 -0.020 0.000 1.113 94 F CA -0.707 57.360 58.000 0.112 0.000 1.022 94 F CB 1.233 40.262 39.000 0.049 0.000 1.128 94 F HN 0.263 nan 8.300 nan 0.000 0.466 95 D N 1.509 121.971 120.400 0.103 0.000 2.277 95 D HA 0.583 5.223 4.640 -0.000 0.000 0.250 95 D C -0.599 175.575 176.300 -0.210 0.000 1.032 95 D CA -0.375 53.522 54.000 -0.171 0.000 0.947 95 D CB 1.849 42.404 40.800 -0.409 0.000 1.159 95 D HN 0.544 nan 8.370 nan 0.000 0.460 96 A N 1.344 123.938 122.820 -0.375 0.000 2.317 96 A HA 0.649 4.969 4.320 -0.000 0.000 0.327 96 A C -1.398 175.928 177.584 -0.431 0.000 1.178 96 A CA -0.474 51.383 52.037 -0.301 0.000 0.817 96 A CB 0.399 19.150 19.000 -0.416 0.000 1.189 96 A HN 0.491 nan 8.150 nan 0.000 0.489 97 Y N 0.252 120.508 120.300 -0.074 0.000 2.524 97 Y HA 0.549 5.098 4.550 -0.000 0.000 0.347 97 Y C 0.151 176.012 175.900 -0.065 0.000 1.005 97 Y CA -0.906 57.167 58.100 -0.045 0.000 1.025 97 Y CB 2.379 40.822 38.460 -0.030 0.000 1.275 97 Y HN 0.721 nan 8.280 nan 0.000 0.460 98 V N -0.648 119.349 119.914 0.139 0.000 2.864 98 V HA 0.967 5.087 4.120 -0.000 0.000 0.314 98 V C 0.122 176.252 176.094 0.060 0.000 1.073 98 V CA -1.461 60.878 62.300 0.065 0.000 0.956 98 V CB 1.265 33.116 31.823 0.047 0.000 1.023 98 V HN 1.012 nan 8.190 nan 0.000 0.435 99 A N 2.456 125.289 122.820 0.022 0.000 2.565 99 A HA 0.190 4.510 4.320 -0.000 0.000 0.237 99 A C 0.558 178.158 177.584 0.027 0.000 1.053 99 A CA 0.247 52.291 52.037 0.012 0.000 0.755 99 A CB -0.034 18.964 19.000 -0.003 0.000 0.980 99 A HN 1.039 nan 8.150 nan 0.000 0.506 100 Q N 0.869 120.686 119.800 0.029 0.000 2.315 100 Q HA 0.238 4.578 4.340 -0.000 0.000 0.289 100 Q C 1.363 177.378 176.000 0.025 0.000 1.044 100 Q CA 1.737 57.560 55.803 0.033 0.000 0.920 100 Q CB 0.457 29.213 28.738 0.031 0.000 1.214 100 Q HN 1.825 nan 8.270 nan 0.000 0.392 101 G N 2.485 111.301 108.800 0.027 0.000 2.267 101 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 101 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 101 G C 0.240 175.152 174.900 0.021 0.000 0.998 101 G CA 0.383 45.496 45.100 0.022 0.000 0.620 101 G HN 1.006 nan 8.290 nan 0.000 0.529 102 A N 0.315 123.148 122.820 0.022 0.000 2.371 102 A HA 0.523 4.843 4.320 -0.000 0.000 0.257 102 A C 0.201 177.801 177.584 0.027 0.000 1.089 102 A CA 0.400 52.449 52.037 0.021 0.000 0.794 102 A CB 0.444 19.454 19.000 0.016 0.000 1.029 102 A HN 0.395 nan 8.150 nan 0.000 0.488 103 D N 2.392 122.807 120.400 0.025 0.000 2.249 103 D HA 0.279 4.919 4.640 -0.000 0.000 0.246 103 D C -1.688 174.634 176.300 0.037 0.000 1.114 103 D CA -1.532 52.486 54.000 0.031 0.000 0.854 103 D CB 1.442 42.257 40.800 0.026 0.000 1.132 103 D HN 0.143 nan 8.370 nan 0.000 0.461 104 P HA -0.098 nan 4.420 nan 0.000 0.218 104 P C 0.989 178.333 177.300 0.073 0.000 1.148 104 P CA 0.879 64.016 63.100 0.063 0.000 0.822 104 P CB 0.172 31.919 31.700 0.079 0.000 0.784 105 A N 0.201 123.059 122.820 0.062 0.000 2.070 105 A HA -0.196 4.123 4.320 -0.000 0.000 0.220 105 A C 1.812 179.422 177.584 0.045 0.000 1.159 105 A CA 1.377 53.447 52.037 0.055 0.000 0.656 105 A CB -0.854 18.167 19.000 0.037 0.000 0.800 105 A HN 0.286 nan 8.150 nan 0.000 0.453 106 E N -0.163 120.060 120.200 0.038 0.000 2.474 106 E HA 0.308 4.658 4.350 -0.000 0.000 0.195 106 E C 0.508 177.126 176.600 0.029 0.000 1.039 106 E CA 0.147 56.564 56.400 0.029 0.000 0.881 106 E CB 0.066 29.779 29.700 0.022 0.000 0.970 106 E HN 0.531 nan 8.360 nan 0.000 0.486 107 A N 1.965 124.808 122.820 0.038 0.000 2.454 107 A HA 0.166 4.486 4.320 -0.000 0.000 0.260 107 A C 0.894 178.504 177.584 0.042 0.000 1.106 107 A CA -0.227 51.830 52.037 0.033 0.000 0.780 107 A CB 0.257 19.277 19.000 0.034 0.000 1.044 107 A HN 0.069 nan 8.150 nan 0.000 0.498 108 R N 1.582 122.100 120.500 0.030 0.000 2.446 108 R HA 0.280 4.620 4.340 -0.000 0.000 0.254 108 R C -0.804 175.515 176.300 0.033 0.000 0.918 108 R CA 0.316 56.437 56.100 0.034 0.000 1.069 108 R CB 0.139 30.453 30.300 0.023 0.000 1.194 108 R HN 0.665 nan 8.270 nan 0.000 0.534 109 I N 0.606 121.187 120.570 0.017 0.000 2.498 109 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 109 I C -0.529 175.571 176.117 -0.028 0.000 1.032 109 I CA -0.816 60.487 61.300 0.004 0.000 1.073 109 I CB 2.186 40.180 38.000 -0.011 0.000 1.251 109 I HN -0.104 nan 8.210 nan 0.000 0.426 110 A N 3.642 126.450 122.820 -0.020 0.000 2.292 110 A HA 0.786 5.105 4.320 -0.000 0.000 0.319 110 A C -0.259 177.258 177.584 -0.112 0.000 1.206 110 A CA -0.436 51.521 52.037 -0.133 0.000 0.835 110 A CB 1.087 20.113 19.000 0.043 0.000 1.164 110 A HN 0.611 nan 8.150 nan 0.000 0.505 111 T N 0.711 115.136 114.554 -0.215 0.000 2.841 111 T HA 0.752 5.101 4.350 -0.000 0.000 0.283 111 T C -0.501 174.162 174.700 -0.062 0.000 1.000 111 T CA 0.424 62.465 62.100 -0.098 0.000 0.977 111 T CB 0.904 69.720 68.868 -0.087 0.000 0.979 111 T HN 2.139 nan 8.240 nan 0.000 0.446 112 A N 3.287 126.142 122.820 0.058 0.000 2.522 112 A HA 0.502 4.822 4.320 -0.000 0.000 0.291 112 A C -0.952 176.742 177.584 0.184 0.000 1.039 112 A CA -0.807 51.328 52.037 0.164 0.000 0.643 112 A CB 0.403 19.570 19.000 0.279 0.000 1.310 112 A HN 0.993 nan 8.150 nan 0.000 0.436 113 H N 0.745 119.904 119.070 0.148 0.000 2.948 113 H HA 0.101 4.657 4.556 -0.000 0.000 0.351 113 H C -1.712 173.698 175.328 0.135 0.000 1.079 113 H CA -0.087 56.048 56.048 0.146 0.000 1.407 113 H CB 1.106 30.986 29.762 0.198 0.000 1.373 113 H HN 0.207 nan 8.280 nan 0.000 0.605 114 P HA -0.161 nan 4.420 nan 0.000 0.217 114 P C 1.178 178.626 177.300 0.246 0.000 1.148 114 P CA 1.589 64.726 63.100 0.062 0.000 0.828 114 P CB -0.015 31.655 31.700 -0.050 0.000 0.783 115 H N -0.549 118.783 119.070 0.437 0.000 2.457 115 H HA -0.000 4.555 4.556 -0.000 0.000 0.294 115 H C 1.994 177.400 175.328 0.130 0.000 1.064 115 H CA 1.885 58.094 56.048 0.268 0.000 1.330 115 H CB -0.780 29.135 29.762 0.255 0.000 1.395 115 H HN 0.017 nan 8.280 nan 0.000 0.541 116 G N -0.016 108.868 108.800 0.140 0.000 2.396 116 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.214 116 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.214 116 G C 1.699 176.415 174.900 -0.306 0.000 1.166 116 G CA 0.566 45.537 45.100 -0.214 0.000 0.793 116 G HN 0.399 nan 8.290 nan 0.000 0.533 117 L N 0.843 122.048 121.223 -0.031 0.000 2.042 117 L HA -0.093 4.246 4.340 -0.000 0.000 0.210 117 L C 3.379 180.187 176.870 -0.102 0.000 1.076 117 L CA 1.092 55.934 54.840 0.003 0.000 0.749 117 L CB -0.408 41.703 42.059 0.087 0.000 0.893 117 L HN 0.296 nan 8.230 nan 0.000 0.432 118 A N -0.497 122.264 122.820 -0.097 0.000 1.972 118 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 118 A C 2.167 179.635 177.584 -0.192 0.000 1.169 118 A CA 1.467 53.441 52.037 -0.104 0.000 0.635 118 A CB -0.369 18.604 19.000 -0.046 0.000 0.810 118 A HN 0.522 nan 8.150 nan 0.000 0.446 119 Q N -1.837 117.760 119.800 -0.339 0.000 2.432 119 Q HA 0.040 4.380 4.340 -0.000 0.000 0.205 119 Q C 0.318 176.094 176.000 -0.373 0.000 0.945 119 Q CA 0.463 56.055 55.803 -0.352 0.000 0.924 119 Q CB 0.093 28.562 28.738 -0.448 0.000 1.016 119 Q HN 0.645 nan 8.270 nan 0.000 0.503 120 C N 0.727 119.750 119.300 -0.461 0.000 2.513 120 C HA 0.271 4.730 4.460 -0.000 0.000 0.281 120 C C 1.338 176.176 174.990 -0.252 0.000 1.501 120 C CA -0.776 57.931 59.018 -0.519 0.000 1.749 120 C CB -0.554 26.455 27.740 -1.219 0.000 2.955 120 C HN 0.389 nan 8.230 nan 0.000 0.532 121 K N 1.078 121.404 120.400 -0.123 0.000 2.026 121 K HA -0.090 4.229 4.320 -0.000 0.000 0.208 121 K C 2.131 178.746 176.600 0.025 0.000 1.048 121 K CA 1.275 57.546 56.287 -0.026 0.000 0.929 121 K CB 0.028 32.516 32.500 -0.020 0.000 0.713 121 K HN 0.534 nan 8.250 nan 0.000 0.439 122 R N -0.078 120.435 120.500 0.022 0.000 2.081 122 R HA -0.134 4.205 4.340 -0.000 0.000 0.235 122 R C 2.251 178.612 176.300 0.102 0.000 1.131 122 R CA 1.526 57.654 56.100 0.048 0.000 0.960 122 R CB -0.415 29.908 30.300 0.039 0.000 0.856 122 R HN 0.184 nan 8.270 nan 0.000 0.436 123 F N 1.427 121.371 119.950 -0.009 0.000 2.126 123 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 123 F C 2.042 177.961 175.800 0.198 0.000 1.096 123 F CA 1.445 59.503 58.000 0.097 0.000 1.255 123 F CB -0.053 38.923 39.000 -0.040 0.000 0.997 123 F HN -0.094 nan 8.300 nan 0.000 0.479 124 I N -0.011 120.794 120.570 0.392 0.000 2.179 124 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 124 I C 2.711 178.929 176.117 0.168 0.000 1.088 124 I CA 1.032 62.536 61.300 0.340 0.000 1.357 124 I CB -1.047 37.111 38.000 0.263 0.000 1.051 124 I HN 0.238 nan 8.210 nan 0.000 0.409 125 A N 0.778 123.657 122.820 0.099 0.000 1.842 125 A HA -0.335 3.985 4.320 -0.000 0.000 0.217 125 A C 2.298 179.876 177.584 -0.011 0.000 1.206 125 A CA 2.284 54.343 52.037 0.037 0.000 0.630 125 A CB -1.041 17.970 19.000 0.018 0.000 0.839 125 A HN 0.504 nan 8.150 nan 0.000 0.447 126 E N -1.217 118.948 120.200 -0.058 0.000 2.233 126 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 126 E C 1.262 177.664 176.600 -0.329 0.000 1.004 126 E CA 1.514 57.797 56.400 -0.196 0.000 0.819 126 E CB -0.186 29.359 29.700 -0.259 0.000 0.738 126 E HN 0.813 nan 8.360 nan 0.000 0.478 127 H N -0.759 118.191 119.070 -0.201 0.000 2.594 127 H HA 0.213 4.769 4.556 -0.000 0.000 0.279 127 H C -0.031 175.265 175.328 -0.054 0.000 1.042 127 H CA 0.157 56.105 56.048 -0.166 0.000 1.177 127 H CB 0.532 30.140 29.762 -0.256 0.000 1.524 127 H HN 0.016 nan 8.280 nan 0.000 0.537 128 R N 0.618 121.144 120.500 0.044 0.000 3.264 128 R HA -0.151 4.189 4.340 -0.000 0.000 0.251 128 R C -0.892 175.450 176.300 0.070 0.000 0.971 128 R CA 0.135 56.260 56.100 0.041 0.000 0.658 128 R CB -2.283 28.026 30.300 0.014 0.000 1.095 128 R HN 0.272 nan 8.270 nan 0.000 0.443 129 L N 0.130 121.417 121.223 0.105 0.000 2.322 129 L HA 0.463 4.803 4.340 -0.000 0.000 0.279 129 L C 1.228 178.149 176.870 0.085 0.000 1.036 129 L CA -0.628 54.276 54.840 0.107 0.000 0.807 129 L CB 1.757 43.914 42.059 0.163 0.000 1.226 129 L HN 0.364 nan 8.230 nan 0.000 0.433 130 S N 0.574 116.310 115.700 0.061 0.000 2.641 130 S HA 0.495 4.964 4.470 -0.000 0.000 0.261 130 S C 0.022 174.657 174.600 0.058 0.000 1.257 130 S CA -0.453 57.777 58.200 0.050 0.000 0.983 130 S CB 1.278 64.497 63.200 0.032 0.000 0.990 130 S HN 0.702 nan 8.310 nan 0.000 0.572 131 T N -1.428 113.155 114.554 0.048 0.000 2.876 131 T HA 0.596 4.946 4.350 -0.000 0.000 0.289 131 T C -1.157 173.558 174.700 0.026 0.000 1.014 131 T CA -0.855 61.275 62.100 0.050 0.000 0.986 131 T CB 1.278 70.185 68.868 0.065 0.000 1.021 131 T HN 0.697 nan 8.240 nan 0.000 0.458 132 Q N 2.399 122.208 119.800 0.015 0.000 2.321 132 Q HA 0.459 4.798 4.340 -0.000 0.000 0.270 132 Q C -2.706 173.295 176.000 0.002 0.000 1.032 132 Q CA -2.304 53.500 55.803 0.002 0.000 0.784 132 Q CB 2.929 31.661 28.738 -0.009 0.000 1.264 132 Q HN 0.538 nan 8.270 nan 0.000 0.448 133 P HA 0.315 nan 4.420 nan 0.000 0.277 133 P C -1.370 175.921 177.300 -0.015 0.000 1.240 133 P CA -0.147 62.943 63.100 -0.016 0.000 0.798 133 P CB 1.313 32.990 31.700 -0.039 0.000 0.979 134 A N 1.284 124.102 122.820 -0.005 0.000 2.469 134 A HA 0.572 4.892 4.320 -0.000 0.000 0.299 134 A C 1.294 178.893 177.584 0.025 0.000 1.098 134 A CA -0.123 51.922 52.037 0.014 0.000 0.737 134 A CB 0.397 19.419 19.000 0.038 0.000 1.312 134 A HN 0.554 nan 8.150 nan 0.000 0.414 135 T N -1.255 113.327 114.554 0.046 0.000 2.833 135 T HA 0.099 4.449 4.350 -0.000 0.000 0.269 135 T C 0.818 175.652 174.700 0.223 0.000 1.054 135 T CA 1.570 63.724 62.100 0.089 0.000 1.135 135 T CB -0.608 68.299 68.868 0.066 0.000 0.869 135 T HN 1.844 nan 8.240 nan 0.000 0.466 136 S N -0.558 115.268 115.700 0.209 0.000 2.596 136 S HA 0.462 4.932 4.470 -0.000 0.000 0.270 136 S C 0.218 174.950 174.600 0.220 0.000 1.155 136 S CA -0.986 57.372 58.200 0.263 0.000 0.827 136 S CB 1.438 64.742 63.200 0.174 0.000 1.130 136 S HN 0.011 nan 8.310 nan 0.000 0.467 137 N N 1.481 120.334 118.700 0.255 0.000 2.043 137 N HA -0.134 4.606 4.740 -0.000 0.000 0.193 137 N C 2.116 177.694 175.510 0.112 0.000 1.037 137 N CA 1.949 55.141 53.050 0.235 0.000 0.851 137 N CB -1.240 37.448 38.487 0.335 0.000 1.027 137 N HN 0.857 nan 8.380 nan 0.000 0.422 138 A N 1.241 124.103 122.820 0.069 0.000 1.927 138 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 138 A C 2.412 179.987 177.584 -0.015 0.000 1.185 138 A CA 2.424 54.487 52.037 0.043 0.000 0.639 138 A CB -0.927 18.129 19.000 0.093 0.000 0.820 138 A HN 0.388 nan 8.150 nan 0.000 0.451 139 A N -0.508 122.316 122.820 0.008 0.000 1.930 139 A HA 0.214 4.533 4.320 -0.000 0.000 0.217 139 A C 2.498 180.025 177.584 -0.095 0.000 1.175 139 A CA 1.943 53.953 52.037 -0.045 0.000 0.627 139 A CB -0.965 18.042 19.000 0.012 0.000 0.815 139 A HN 1.117 nan 8.150 nan 0.000 0.443 140 A N -0.761 122.034 122.820 -0.043 0.000 1.883 140 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 140 A C 2.315 179.817 177.584 -0.137 0.000 1.186 140 A CA 1.815 53.816 52.037 -0.061 0.000 0.624 140 A CB -1.294 17.705 19.000 -0.003 0.000 0.822 140 A HN 0.608 nan 8.150 nan 0.000 0.444 141 C N -1.440 117.760 119.300 -0.167 0.000 2.446 141 C HA -0.005 4.455 4.460 -0.000 0.000 0.277 141 C C 2.760 177.448 174.990 -0.504 0.000 1.275 141 C CA 0.959 59.812 59.018 -0.275 0.000 1.727 141 C CB -1.284 26.288 27.740 -0.280 0.000 2.010 141 C HN 0.705 nan 8.230 nan 0.000 0.486 142 R N 1.071 121.105 120.500 -0.777 0.000 2.103 142 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 142 R C 0.835 176.852 176.300 -0.472 0.000 1.142 142 R CA 1.912 57.370 56.100 -1.071 0.000 0.960 142 R CB -0.260 29.580 30.300 -0.768 0.000 0.858 142 R HN 0.493 nan 8.270 nan 0.000 0.439 143 D N 0.313 120.538 120.400 -0.291 0.000 2.340 143 D HA 0.064 4.703 4.640 -0.000 0.000 0.217 143 D C 0.141 176.363 176.300 -0.129 0.000 1.081 143 D CA -0.019 53.880 54.000 -0.168 0.000 0.842 143 D CB 0.087 40.817 40.800 -0.117 0.000 0.934 143 D HN 0.211 nan 8.370 nan 0.000 0.511 144 L N 1.618 122.752 121.223 -0.149 0.000 2.559 144 L HA 0.005 4.344 4.340 -0.000 0.000 0.282 144 L C 0.608 177.437 176.870 -0.068 0.000 1.232 144 L CA 0.574 55.354 54.840 -0.100 0.000 0.885 144 L CB 0.204 42.208 42.059 -0.091 0.000 1.131 144 L HN 0.032 nan 8.230 nan 0.000 0.498 145 I N 1.029 121.569 120.570 -0.050 0.000 3.074 145 I HA 0.598 4.768 4.170 -0.000 0.000 0.310 145 I C -2.624 173.480 176.117 -0.022 0.000 1.153 145 I CA -2.885 58.396 61.300 -0.032 0.000 0.993 145 I CB 1.719 39.702 38.000 -0.029 0.000 1.237 145 I HN 0.263 nan 8.210 nan 0.000 0.443 146 P HA 0.158 nan 4.420 nan 0.000 0.267 146 P C 0.711 178.006 177.300 -0.007 0.000 1.201 146 P CA 1.251 64.347 63.100 -0.005 0.000 0.775 146 P CB 0.515 32.215 31.700 -0.000 0.000 0.854 147 G N 0.305 109.104 108.800 -0.002 0.000 2.175 147 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.244 147 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.244 147 G C -0.086 174.809 174.900 -0.008 0.000 0.982 147 G CA -0.207 44.893 45.100 -0.000 0.000 0.641 147 G HN 0.564 nan 8.290 nan 0.000 0.527 148 E N -0.616 119.571 120.200 -0.022 0.000 2.244 148 E HA 0.727 5.077 4.350 -0.000 0.000 0.266 148 E C -0.449 176.112 176.600 -0.064 0.000 0.914 148 E CA -0.922 55.449 56.400 -0.048 0.000 0.794 148 E CB 2.032 31.693 29.700 -0.065 0.000 1.210 148 E HN 0.242 nan 8.360 nan 0.000 0.414 149 I N 1.865 122.359 120.570 -0.127 0.000 2.418 149 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 149 I C -0.449 175.411 176.117 -0.427 0.000 1.008 149 I CA -0.599 60.577 61.300 -0.207 0.000 1.104 149 I CB 1.670 39.575 38.000 -0.158 0.000 1.264 149 I HN 0.492 nan 8.210 nan 0.000 0.438 150 A N 6.385 129.029 122.820 -0.292 0.000 2.295 150 A HA 0.823 5.143 4.320 -0.000 0.000 0.318 150 A C -1.115 176.320 177.584 -0.248 0.000 1.134 150 A CA -0.248 51.615 52.037 -0.291 0.000 0.827 150 A CB 0.527 19.480 19.000 -0.077 0.000 1.136 150 A HN 0.488 nan 8.150 nan 0.000 0.493 151 F N 0.796 120.807 119.950 0.102 0.000 2.426 151 F HA 0.690 5.216 4.527 -0.000 0.000 0.348 151 F C 0.811 176.823 175.800 0.355 0.000 1.124 151 F CA -0.434 57.657 58.000 0.152 0.000 1.008 151 F CB 1.961 40.959 39.000 -0.003 0.000 1.139 151 F HN 0.831 nan 8.300 nan 0.000 0.452 152 G N 2.461 111.614 108.800 0.589 0.000 2.600 152 G HA2 0.617 4.577 3.960 -0.000 0.000 0.293 152 G HA3 0.617 4.577 3.960 -0.000 0.000 0.293 152 G C -3.397 171.542 174.900 0.065 0.000 1.408 152 G CA -1.656 43.630 45.100 0.310 0.000 0.782 152 G HN 0.192 nan 8.290 nan 0.000 0.482 153 P HA 0.247 nan 4.420 nan 0.000 0.269 153 P C 0.967 178.223 177.300 -0.073 0.000 1.217 153 P CA 0.667 63.469 63.100 -0.497 0.000 0.783 153 P CB 0.890 32.064 31.700 -0.876 0.000 0.898 154 A N 2.607 125.403 122.820 -0.039 0.000 1.940 154 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 154 A C 2.067 179.662 177.584 0.018 0.000 1.176 154 A CA 1.583 53.646 52.037 0.044 0.000 0.631 154 A CB -1.634 17.367 19.000 0.002 0.000 0.814 154 A HN 0.650 nan 8.150 nan 0.000 0.446 155 I N -0.602 119.904 120.570 -0.107 0.000 2.423 155 I HA -0.304 3.866 4.170 -0.000 0.000 0.254 155 I C 2.189 178.193 176.117 -0.189 0.000 1.151 155 I CA 1.221 62.405 61.300 -0.193 0.000 1.421 155 I CB -0.152 37.647 38.000 -0.334 0.000 1.079 155 I HN 0.444 nan 8.210 nan 0.000 0.431 156 C N 0.894 120.108 119.300 -0.144 0.000 2.413 156 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 156 C C 2.756 177.607 174.990 -0.233 0.000 1.265 156 C CA 1.121 60.037 59.018 -0.171 0.000 1.752 156 C CB -2.009 25.571 27.740 -0.267 0.000 1.998 156 C HN 0.723 nan 8.230 nan 0.000 0.489 157 G N -0.716 108.011 108.800 -0.121 0.000 2.509 157 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.218 157 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.218 157 G C 1.568 176.453 174.900 -0.024 0.000 1.124 157 G CA 0.633 45.750 45.100 0.029 0.000 0.776 157 G HN 0.706 nan 8.290 nan 0.000 0.547 158 E N -0.591 119.553 120.200 -0.094 0.000 2.190 158 E HA 0.135 4.485 4.350 -0.000 0.000 0.191 158 E C 2.239 178.729 176.600 -0.184 0.000 0.978 158 E CA 0.044 56.373 56.400 -0.119 0.000 0.839 158 E CB 0.037 29.653 29.700 -0.140 0.000 0.787 158 E HN 0.437 nan 8.360 nan 0.000 0.473 159 L N -0.277 120.756 121.223 -0.318 0.000 2.354 159 L HA 0.119 4.459 4.340 -0.000 0.000 0.212 159 L C 0.024 176.516 176.870 -0.629 0.000 1.091 159 L CA 0.115 54.635 54.840 -0.533 0.000 0.828 159 L CB 0.256 41.818 42.059 -0.827 0.000 0.973 159 L HN 0.024 nan 8.230 nan 0.000 0.461 160 Y N -1.376 118.867 120.300 -0.095 0.000 2.562 160 Y HA 0.278 4.828 4.550 -0.000 0.000 0.343 160 Y C -0.100 175.753 175.900 -0.077 0.000 1.025 160 Y CA -2.024 56.022 58.100 -0.090 0.000 1.082 160 Y CB 0.761 39.142 38.460 -0.132 0.000 1.264 160 Y HN -0.227 nan 8.280 nan 0.000 0.478 161 D N 2.928 123.398 120.400 0.116 0.000 2.600 161 D HA 0.204 4.844 4.640 -0.000 0.000 0.226 161 D C -0.696 175.633 176.300 0.048 0.000 1.119 161 D CA 0.260 54.294 54.000 0.058 0.000 1.051 161 D CB -0.871 39.956 40.800 0.046 0.000 1.106 161 D HN 0.499 nan 8.370 nan 0.000 0.491 162 I N -2.302 118.297 120.570 0.048 0.000 2.934 162 I HA 0.573 4.742 4.170 -0.000 0.000 0.306 162 I C -0.627 175.560 176.117 0.117 0.000 1.110 162 I CA -0.882 60.448 61.300 0.050 0.000 1.019 162 I CB 2.510 40.489 38.000 -0.036 0.000 1.227 162 I HN -0.278 nan 8.210 nan 0.000 0.434 163 T N 2.886 117.536 114.554 0.160 0.000 2.791 163 T HA 0.359 4.708 4.350 -0.000 0.000 0.288 163 T C -0.251 174.576 174.700 0.210 0.000 0.999 163 T CA -0.434 61.758 62.100 0.154 0.000 0.952 163 T CB 0.895 69.818 68.868 0.091 0.000 0.938 163 T HN 0.574 nan 8.240 nan 0.000 0.444 164 R N 3.415 124.029 120.500 0.190 0.000 2.442 164 R HA 0.292 4.631 4.340 -0.000 0.000 0.291 164 R C 0.950 177.234 176.300 -0.026 0.000 1.069 164 R CA 0.028 56.120 56.100 -0.014 0.000 1.022 164 R CB 0.146 30.407 30.300 -0.066 0.000 0.976 164 R HN 0.805 nan 8.270 nan 0.000 0.443 165 I N 0.257 120.788 120.570 -0.066 0.000 4.227 165 I HA 0.489 4.658 4.170 -0.000 0.000 0.334 165 I C 0.329 176.463 176.117 0.027 0.000 1.341 165 I CA -0.314 60.992 61.300 0.009 0.000 1.123 165 I CB 1.292 39.325 38.000 0.054 0.000 1.097 165 I HN 0.533 nan 8.210 nan 0.000 0.399 166 G N 0.484 109.251 108.800 -0.056 0.000 2.746 166 G HA2 0.601 4.561 3.960 -0.000 0.000 0.297 166 G HA3 0.601 4.561 3.960 -0.000 0.000 0.297 166 G C -1.323 173.520 174.900 -0.095 0.000 1.426 166 G CA -0.354 44.745 45.100 0.000 0.000 0.989 166 G HN -0.048 nan 8.290 nan 0.000 0.520 167 T N 0.824 115.359 114.554 -0.031 0.000 2.812 167 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 167 T C 0.581 175.279 174.700 -0.004 0.000 0.990 167 T CA 0.759 62.835 62.100 -0.040 0.000 0.960 167 T CB 1.396 70.252 68.868 -0.020 0.000 0.948 167 T HN 2.174 nan 8.240 nan 0.000 0.438 168 A N 2.743 125.566 122.820 0.005 0.000 2.519 168 A HA -0.148 4.172 4.320 -0.000 0.000 0.297 168 A C 0.790 178.397 177.584 0.038 0.000 1.472 168 A CA 0.840 52.901 52.037 0.039 0.000 0.739 168 A CB -2.123 16.892 19.000 0.026 0.000 1.096 168 A HN 0.973 nan 8.150 nan 0.000 0.414 169 I N -1.645 118.935 120.570 0.017 0.000 3.928 169 I HA 0.206 4.376 4.170 -0.000 0.000 0.335 169 I C 1.022 177.120 176.117 -0.031 0.000 1.325 169 I CA -0.079 61.228 61.300 0.011 0.000 1.107 169 I CB -0.250 37.745 38.000 -0.007 0.000 1.014 169 I HN 0.580 nan 8.210 nan 0.000 0.400 170 Q N 1.235 121.030 119.800 -0.008 0.000 2.443 170 Q HA 0.093 4.433 4.340 -0.000 0.000 0.232 170 Q C -0.072 175.918 176.000 -0.017 0.000 1.026 170 Q CA 0.171 55.942 55.803 -0.055 0.000 0.924 170 Q CB 0.948 29.750 28.738 0.107 0.000 1.256 170 Q HN 0.259 nan 8.270 nan 0.000 0.519 171 D N -0.058 120.326 120.400 -0.028 0.000 2.097 171 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 171 D C 0.009 176.342 176.300 0.054 0.000 0.984 171 D CA 1.282 55.291 54.000 0.015 0.000 0.826 171 D CB -0.185 40.623 40.800 0.014 0.000 0.973 171 D HN 0.572 nan 8.370 nan 0.000 0.460 172 Y N 2.289 122.571 120.300 -0.029 0.000 2.327 172 Y HA 0.172 4.721 4.550 -0.000 0.000 0.336 172 Y C -0.101 175.795 175.900 -0.005 0.000 1.035 172 Y CA -0.655 57.434 58.100 -0.019 0.000 1.165 172 Y CB 0.548 38.993 38.460 -0.025 0.000 1.181 172 Y HN -0.197 nan 8.280 nan 0.000 0.494 173 Q N 4.253 123.637 119.800 -0.693 0.000 2.256 173 Q HA 0.413 4.753 4.340 -0.000 0.000 0.254 173 Q C 0.641 176.254 176.000 -0.645 0.000 0.916 173 Q CA 0.256 55.776 55.803 -0.471 0.000 0.932 173 Q CB 1.500 30.044 28.738 -0.323 0.000 1.207 173 Q HN 1.079 nan 8.270 nan 0.000 0.426 174 G N 1.043 109.701 108.800 -0.237 0.000 2.134 174 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.209 174 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.209 174 G C 0.115 175.076 174.900 0.101 0.000 0.993 174 G CA -0.122 44.920 45.100 -0.098 0.000 0.669 174 G HN 0.842 nan 8.290 nan 0.000 0.519 175 A N -0.370 122.578 122.820 0.212 0.000 2.316 175 A HA 1.046 5.366 4.320 -0.000 0.000 0.284 175 A C 0.503 178.098 177.584 0.017 0.000 1.115 175 A CA 0.740 52.883 52.037 0.177 0.000 0.812 175 A CB 1.305 20.413 19.000 0.180 0.000 1.064 175 A HN 2.204 nan 8.150 nan 0.000 0.489 176 A N 1.259 124.062 122.820 -0.028 0.000 2.574 176 A HA 0.743 5.063 4.320 -0.000 0.000 0.297 176 A C -0.408 177.125 177.584 -0.086 0.000 1.062 176 A CA -0.428 51.574 52.037 -0.058 0.000 0.686 176 A CB 1.199 20.183 19.000 -0.027 0.000 1.285 176 A HN 0.858 nan 8.150 nan 0.000 0.403 177 T N 1.699 116.206 114.554 -0.079 0.000 2.829 177 T HA 0.578 4.928 4.350 -0.000 0.000 0.280 177 T C -1.136 173.516 174.700 -0.079 0.000 0.999 177 T CA -0.246 61.760 62.100 -0.157 0.000 0.983 177 T CB 1.276 69.995 68.868 -0.248 0.000 0.968 177 T HN 0.584 nan 8.240 nan 0.000 0.446 178 D N 1.163 121.454 120.400 -0.182 0.000 2.181 178 D HA 0.632 5.271 4.640 -0.000 0.000 0.248 178 D C -0.811 175.350 176.300 -0.231 0.000 1.020 178 D CA -0.217 53.749 54.000 -0.057 0.000 0.891 178 D CB 1.010 41.792 40.800 -0.030 0.000 1.187 178 D HN 0.323 nan 8.370 nan 0.000 0.443 179 F N 0.353 120.282 119.950 -0.035 0.000 2.563 179 F HA 0.460 4.987 4.527 -0.000 0.000 0.316 179 F C -0.156 175.550 175.800 -0.157 0.000 1.076 179 F CA -0.958 57.031 58.000 -0.018 0.000 0.921 179 F CB 1.454 40.431 39.000 -0.038 0.000 1.209 179 F HN -0.074 nan 8.300 nan 0.000 0.462 180 L N 3.040 124.244 121.223 -0.032 0.000 2.325 180 L HA 0.646 4.986 4.340 -0.000 0.000 0.278 180 L C -0.812 175.948 176.870 -0.183 0.000 1.023 180 L CA -1.178 53.506 54.840 -0.259 0.000 0.811 180 L CB 1.816 43.606 42.059 -0.449 0.000 1.249 180 L HN 0.275 nan 8.230 nan 0.000 0.431 181 V N 4.374 124.078 119.914 -0.350 0.000 2.439 181 V HA 0.424 4.544 4.120 -0.000 0.000 0.282 181 V C 0.085 175.969 176.094 -0.350 0.000 1.039 181 V CA -0.418 61.648 62.300 -0.390 0.000 0.913 181 V CB 1.544 32.927 31.823 -0.733 0.000 0.983 181 V HN 0.484 nan 8.190 nan 0.000 0.460 182 L N 4.076 125.264 121.223 -0.058 0.000 2.362 182 L HA 0.849 5.188 4.340 -0.000 0.000 0.271 182 L C -0.125 176.854 176.870 0.181 0.000 1.002 182 L CA -0.181 54.709 54.840 0.085 0.000 0.818 182 L CB 2.076 44.198 42.059 0.105 0.000 1.298 182 L HN 0.749 nan 8.230 nan 0.000 0.420 183 S N 2.533 118.325 115.700 0.154 0.000 2.596 183 S HA 0.661 5.131 4.470 -0.000 0.000 0.270 183 S C -2.912 171.742 174.600 0.090 0.000 1.155 183 S CA -1.177 57.091 58.200 0.113 0.000 0.827 183 S CB 2.441 65.505 63.200 -0.228 0.000 1.130 183 S HN 0.215 nan 8.310 nan 0.000 0.467 184 P HA 0.294 nan 4.420 nan 0.000 0.268 184 P C 0.259 177.579 177.300 0.033 0.000 1.208 184 P CA -0.103 63.047 63.100 0.083 0.000 0.777 184 P CB 0.353 32.111 31.700 0.097 0.000 0.875 185 R N 2.087 122.607 120.500 0.033 0.000 2.075 185 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 185 R C 2.115 178.413 176.300 -0.002 0.000 1.126 185 R CA 1.779 57.888 56.100 0.014 0.000 0.963 185 R CB -0.867 29.448 30.300 0.025 0.000 0.858 185 R HN 0.502 nan 8.270 nan 0.000 0.435 186 A N 1.246 124.071 122.820 0.008 0.000 1.908 186 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 186 A C 2.059 179.637 177.584 -0.010 0.000 1.181 186 A CA 1.746 53.783 52.037 0.001 0.000 0.627 186 A CB -0.496 18.510 19.000 0.009 0.000 0.818 186 A HN 0.470 nan 8.150 nan 0.000 0.445 187 E N -0.186 120.012 120.200 -0.004 0.000 2.058 187 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 187 E C 1.828 178.375 176.600 -0.088 0.000 0.997 187 E CA 1.704 58.099 56.400 -0.010 0.000 0.801 187 E CB -0.214 29.516 29.700 0.050 0.000 0.746 187 E HN 0.288 nan 8.360 nan 0.000 0.450 188 V N 1.376 121.197 119.914 -0.155 0.000 2.295 188 V HA -0.274 3.845 4.120 -0.000 0.000 0.246 188 V C 2.546 178.586 176.094 -0.090 0.000 1.049 188 V CA 1.806 63.975 62.300 -0.218 0.000 1.024 188 V CB -0.934 30.775 31.823 -0.190 0.000 0.648 188 V HN 0.510 nan 8.190 nan 0.000 0.447 189 A N 0.310 123.100 122.820 -0.050 0.000 1.917 189 A HA -0.337 3.983 4.320 -0.000 0.000 0.219 189 A C 2.389 179.934 177.584 -0.064 0.000 1.182 189 A CA 2.533 54.545 52.037 -0.043 0.000 0.633 189 A CB -0.646 18.337 19.000 -0.029 0.000 0.819 189 A HN 0.554 nan 8.150 nan 0.000 0.448 190 R N -0.352 120.118 120.500 -0.051 0.000 2.081 190 R HA -0.037 4.302 4.340 -0.000 0.000 0.235 190 R C 1.930 178.205 176.300 -0.042 0.000 1.131 190 R CA 1.559 57.631 56.100 -0.046 0.000 0.960 190 R CB -0.439 29.847 30.300 -0.022 0.000 0.856 190 R HN 0.504 nan 8.270 nan 0.000 0.436 191 L N 0.573 121.781 121.223 -0.025 0.000 2.191 191 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 191 L C 1.714 178.601 176.870 0.028 0.000 1.103 191 L CA 0.890 55.751 54.840 0.036 0.000 0.769 191 L CB -0.090 42.008 42.059 0.066 0.000 0.908 191 L HN 0.317 nan 8.230 nan 0.000 0.438 192 L N -1.061 120.138 121.223 -0.039 0.000 2.653 192 L HA 0.150 4.489 4.340 -0.000 0.000 0.231 192 L C 2.346 179.039 176.870 -0.294 0.000 1.153 192 L CA -0.186 54.575 54.840 -0.132 0.000 0.933 192 L CB -0.218 41.775 42.059 -0.110 0.000 1.175 192 L HN 0.111 nan 8.230 nan 0.000 0.473 193 A N 0.701 123.401 122.820 -0.201 0.000 1.902 193 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 193 A C 2.379 179.807 177.584 -0.261 0.000 1.181 193 A CA 1.796 53.697 52.037 -0.226 0.000 0.623 193 A CB -0.204 18.712 19.000 -0.139 0.000 0.818 193 A HN 0.351 nan 8.150 nan 0.000 0.443 194 K N -0.361 119.920 120.400 -0.199 0.000 1.985 194 K HA -0.106 4.214 4.320 -0.000 0.000 0.210 194 K C -0.764 175.690 176.600 -0.243 0.000 1.047 194 K CA 1.578 57.762 56.287 -0.171 0.000 0.932 194 K CB -0.741 31.698 32.500 -0.101 0.000 0.716 194 K HN 0.378 nan 8.250 nan 0.000 0.439 195 P HA -0.179 nan 4.420 nan 0.000 0.217 195 P C 1.018 177.848 177.300 -0.784 0.000 1.150 195 P CA 1.323 64.228 63.100 -0.326 0.000 0.832 195 P CB -0.085 31.491 31.700 -0.207 0.000 0.787 196 R N 0.328 120.051 120.500 -1.294 0.000 2.083 196 R HA -0.125 4.214 4.340 -0.000 0.000 0.237 196 R C 2.330 178.173 176.300 -0.762 0.000 1.137 196 R CA 1.906 57.029 56.100 -1.629 0.000 0.951 196 R CB -0.847 28.713 30.300 -1.233 0.000 0.851 196 R HN 0.072 nan 8.270 nan 0.000 0.434 197 A N 0.758 123.300 122.820 -0.463 0.000 1.930 197 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 197 A C 1.611 179.084 177.584 -0.186 0.000 1.175 197 A CA 1.415 53.297 52.037 -0.258 0.000 0.627 197 A CB -0.279 18.612 19.000 -0.181 0.000 0.815 197 A HN 0.477 nan 8.150 nan 0.000 0.443 198 E N -0.364 119.727 120.200 -0.182 0.000 2.494 198 E HA 0.319 4.669 4.350 -0.000 0.000 0.193 198 E C 0.527 177.109 176.600 -0.031 0.000 1.074 198 E CA 0.182 56.533 56.400 -0.081 0.000 0.867 198 E CB -0.324 29.350 29.700 -0.045 0.000 0.924 198 E HN 0.642 nan 8.360 nan 0.000 0.502 199 A N 2.665 125.442 122.820 -0.071 0.000 2.261 199 A HA -0.229 4.091 4.320 -0.000 0.000 0.282 199 A C 0.079 177.813 177.584 0.251 0.000 1.403 199 A CA 0.383 52.487 52.037 0.112 0.000 0.753 199 A CB -1.685 17.397 19.000 0.137 0.000 1.125 199 A HN 0.362 nan 8.150 nan 0.000 0.358 200 N N 0.308 119.206 118.700 0.329 0.000 2.475 200 N HA 0.263 5.003 4.740 -0.000 0.000 0.267 200 N C 1.216 177.009 175.510 0.472 0.000 1.169 200 N CA 0.595 53.871 53.050 0.377 0.000 0.947 200 N CB 1.201 39.934 38.487 0.411 0.000 1.061 200 N HN 0.957 nan 8.380 nan 0.000 0.466 201 V N 0.541 120.632 119.914 0.294 0.000 3.647 201 V HA 0.280 4.400 4.120 -0.000 0.000 0.279 201 V C 0.572 176.782 176.094 0.194 0.000 1.314 201 V CA 0.487 62.907 62.300 0.199 0.000 1.125 201 V CB -0.067 31.834 31.823 0.130 0.000 0.907 201 V HN 0.400 nan 8.190 nan 0.000 0.434 202 E N 0.907 121.268 120.200 0.269 0.000 2.320 202 E HA 0.308 4.657 4.350 -0.000 0.000 0.234 202 E C -1.060 175.536 176.600 -0.006 0.000 1.290 202 E CA 0.043 56.514 56.400 0.120 0.000 1.545 202 E CB -0.293 29.442 29.700 0.058 0.000 1.379 202 E HN 0.740 nan 8.360 nan 0.000 0.437 203 Y N -0.147 120.138 120.300 -0.026 0.000 2.562 203 Y HA 0.372 4.922 4.550 -0.000 0.000 0.343 203 Y C 0.660 176.433 175.900 -0.210 0.000 1.025 203 Y CA -0.920 57.108 58.100 -0.120 0.000 1.082 203 Y CB 1.594 39.937 38.460 -0.195 0.000 1.264 203 Y HN -0.125 nan 8.280 nan 0.000 0.478 204 E N 0.437 120.496 120.200 -0.234 0.000 2.256 204 E HA 0.676 5.026 4.350 -0.000 0.000 0.267 204 E C -1.325 174.972 176.600 -0.506 0.000 0.892 204 E CA -0.825 55.377 56.400 -0.331 0.000 0.775 204 E CB 2.162 31.628 29.700 -0.390 0.000 1.207 204 E HN 0.488 nan 8.360 nan 0.000 0.420 205 S N 0.739 116.281 115.700 -0.263 0.000 2.542 205 S HA 0.501 4.971 4.470 -0.000 0.000 0.293 205 S C -0.818 173.773 174.600 -0.015 0.000 1.089 205 S CA -0.768 57.325 58.200 -0.178 0.000 0.961 205 S CB 1.809 64.958 63.200 -0.084 0.000 1.062 205 S HN 0.230 nan 8.310 nan 0.000 0.483 206 V N 2.844 122.782 119.914 0.040 0.000 2.459 206 V HA 0.614 4.734 4.120 -0.000 0.000 0.295 206 V C -0.878 175.303 176.094 0.146 0.000 1.029 206 V CA -0.610 61.778 62.300 0.146 0.000 0.874 206 V CB 1.338 33.294 31.823 0.222 0.000 0.985 206 V HN 0.704 nan 8.190 nan 0.000 0.438 207 L N 4.492 125.808 121.223 0.155 0.000 2.408 207 L HA 0.770 5.110 4.340 -0.000 0.000 0.268 207 L C -0.060 176.898 176.870 0.146 0.000 0.986 207 L CA 0.300 55.234 54.840 0.158 0.000 0.820 207 L CB 2.575 44.751 42.059 0.195 0.000 1.303 207 L HN 0.705 nan 8.230 nan 0.000 0.411 208 T N 5.687 120.340 114.554 0.166 0.000 2.794 208 T HA 0.708 5.058 4.350 -0.000 0.000 0.280 208 T C -0.551 174.326 174.700 0.295 0.000 0.987 208 T CA -0.285 61.950 62.100 0.225 0.000 0.993 208 T CB 0.844 69.907 68.868 0.325 0.000 0.939 208 T HN 0.422 nan 8.240 nan 0.000 0.449 209 L N 3.614 125.043 121.223 0.344 0.000 2.386 209 L HA 0.636 4.975 4.340 -0.000 0.000 0.271 209 L C -0.593 176.545 176.870 0.447 0.000 0.993 209 L CA -0.823 54.262 54.840 0.409 0.000 0.819 209 L CB 1.940 44.245 42.059 0.410 0.000 1.294 209 L HN 0.571 nan 8.230 nan 0.000 0.414 210 I N 3.664 124.513 120.570 0.465 0.000 2.537 210 I HA 0.290 4.460 4.170 -0.000 0.000 0.276 210 I C -2.394 173.908 176.117 0.309 0.000 1.063 210 I CA -1.732 59.756 61.300 0.312 0.000 1.144 210 I CB 1.549 39.637 38.000 0.146 0.000 1.252 210 I HN 0.261 nan 8.210 nan 0.000 0.480 211 P HA 0.084 nan 4.420 nan 0.000 0.267 211 P C -0.029 177.389 177.300 0.198 0.000 1.205 211 P CA 0.052 63.307 63.100 0.259 0.000 0.765 211 P CB 0.630 32.493 31.700 0.273 0.000 0.828 212 L N 3.946 125.262 121.223 0.155 0.000 2.990 212 L HA 0.234 4.574 4.340 -0.000 0.000 0.231 212 L C 0.125 177.052 176.870 0.094 0.000 1.341 212 L CA -0.307 54.600 54.840 0.112 0.000 1.208 212 L CB -0.375 41.744 42.059 0.099 0.000 1.571 212 L HN 0.204 nan 8.230 nan 0.000 0.453 213 V N -3.720 116.259 119.914 0.107 0.000 3.147 213 V HA 0.818 4.938 4.120 -0.000 0.000 0.306 213 V C -0.213 175.944 176.094 0.105 0.000 1.209 213 V CA -0.584 61.767 62.300 0.085 0.000 1.023 213 V CB 1.847 33.708 31.823 0.064 0.000 1.059 213 V HN 0.203 nan 8.190 nan 0.000 0.435 214 T N -1.299 113.305 114.554 0.084 0.000 2.916 214 T HA 0.995 5.345 4.350 -0.000 0.000 0.292 214 T C 0.251 174.982 174.700 0.051 0.000 1.064 214 T CA -0.099 62.056 62.100 0.092 0.000 1.011 214 T CB 1.306 70.238 68.868 0.108 0.000 1.152 214 T HN 2.885 nan 8.240 nan 0.000 0.510 215 G N 1.264 110.083 108.800 0.031 0.000 2.498 215 G HA2 0.203 4.163 3.960 -0.000 0.000 0.651 215 G HA3 0.203 4.163 3.960 -0.000 0.000 0.651 215 G C -3.061 171.835 174.900 -0.007 0.000 1.284 215 G CA -0.821 44.285 45.100 0.011 0.000 0.950 215 G HN 0.877 nan 8.290 nan 0.000 0.511 216 P HA 0.439 nan 4.420 nan 0.000 0.268 216 P C 1.106 178.394 177.300 -0.020 0.000 1.205 216 P CA 1.832 64.921 63.100 -0.017 0.000 0.771 216 P CB 0.817 32.510 31.700 -0.011 0.000 0.858 217 G N 0.656 109.438 108.800 -0.030 0.000 2.217 217 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.246 217 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.246 217 G C 0.967 175.843 174.900 -0.041 0.000 0.990 217 G CA 0.187 45.266 45.100 -0.036 0.000 0.627 217 G HN 0.405 nan 8.290 nan 0.000 0.522 218 V N 0.583 120.480 119.914 -0.027 0.000 2.358 218 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 218 V C 2.619 178.677 176.094 -0.060 0.000 1.047 218 V CA 2.368 64.664 62.300 -0.007 0.000 1.035 218 V CB -0.318 31.540 31.823 0.058 0.000 0.658 218 V HN 0.458 nan 8.190 nan 0.000 0.452 219 L N 0.617 121.756 121.223 -0.140 0.000 2.131 219 L HA 0.113 4.453 4.340 -0.000 0.000 0.206 219 L C 2.441 179.190 176.870 -0.202 0.000 1.087 219 L CA 2.099 56.758 54.840 -0.301 0.000 0.767 219 L CB -0.965 40.843 42.059 -0.419 0.000 0.917 219 L HN 0.193 nan 8.230 nan 0.000 0.441 220 A N -0.024 122.712 122.820 -0.140 0.000 1.917 220 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 220 A C 2.073 179.609 177.584 -0.080 0.000 1.182 220 A CA 2.110 54.083 52.037 -0.106 0.000 0.633 220 A CB -0.866 18.087 19.000 -0.078 0.000 0.819 220 A HN 0.605 nan 8.150 nan 0.000 0.448 221 N N -0.466 118.193 118.700 -0.067 0.000 2.188 221 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 221 N C 1.548 177.035 175.510 -0.037 0.000 1.018 221 N CA 1.353 54.371 53.050 -0.053 0.000 0.858 221 N CB -0.538 37.913 38.487 -0.060 0.000 0.989 221 N HN 0.435 nan 8.380 nan 0.000 0.426 222 L N 0.537 121.741 121.223 -0.033 0.000 2.005 222 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 222 L C 1.669 178.556 176.870 0.029 0.000 1.072 222 L CA 1.404 56.249 54.840 0.007 0.000 0.744 222 L CB -0.785 41.292 42.059 0.030 0.000 0.895 222 L HN 0.006 nan 8.230 nan 0.000 0.433 223 L N -0.164 121.066 121.223 0.012 0.000 2.275 223 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 223 L C 2.058 178.959 176.870 0.051 0.000 1.119 223 L CA 1.221 56.111 54.840 0.083 0.000 0.790 223 L CB -1.371 40.611 42.059 -0.130 0.000 0.919 223 L HN 0.314 nan 8.230 nan 0.000 0.443 224 D N -0.960 119.430 120.400 -0.017 0.000 2.178 224 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 224 D C 2.386 178.657 176.300 -0.048 0.000 0.980 224 D CA 0.884 54.867 54.000 -0.028 0.000 0.842 224 D CB 0.024 40.803 40.800 -0.035 0.000 0.948 224 D HN 0.125 nan 8.370 nan 0.000 0.472 225 V N 0.517 120.366 119.914 -0.109 0.000 2.332 225 V HA -0.249 3.870 4.120 -0.000 0.000 0.248 225 V C 2.095 178.005 176.094 -0.308 0.000 1.055 225 V CA 1.376 63.532 62.300 -0.240 0.000 1.038 225 V CB -0.588 31.006 31.823 -0.383 0.000 0.651 225 V HN 0.088 nan 8.190 nan 0.000 0.450 226 F N 0.165 120.067 119.950 -0.080 0.000 2.146 226 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 226 F C 2.567 178.327 175.800 -0.068 0.000 1.096 226 F CA 1.725 59.671 58.000 -0.090 0.000 1.275 226 F CB -0.670 38.274 39.000 -0.093 0.000 1.008 226 F HN -0.032 nan 8.300 nan 0.000 0.480 227 R N 0.744 121.307 120.500 0.105 0.000 2.112 227 R HA -0.213 4.126 4.340 -0.000 0.000 0.242 227 R C 1.592 177.901 176.300 0.014 0.000 1.137 227 R CA 2.394 58.519 56.100 0.041 0.000 0.944 227 R CB -0.527 29.780 30.300 0.012 0.000 0.857 227 R HN 0.152 nan 8.270 nan 0.000 0.435 228 D N -0.296 120.096 120.400 -0.013 0.000 2.269 228 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 228 D C 1.203 177.490 176.300 -0.021 0.000 0.963 228 D CA 1.216 55.203 54.000 -0.021 0.000 0.864 228 D CB 0.077 40.856 40.800 -0.034 0.000 0.936 228 D HN 0.429 nan 8.370 nan 0.000 0.505 229 A N -0.182 122.621 122.820 -0.029 0.000 2.251 229 A HA 0.432 4.752 4.320 -0.000 0.000 0.209 229 A C 1.653 179.251 177.584 0.023 0.000 1.187 229 A CA 0.709 52.736 52.037 -0.018 0.000 0.823 229 A CB -0.294 18.668 19.000 -0.063 0.000 0.846 229 A HN 0.177 nan 8.150 nan 0.000 0.486 230 G N -0.560 108.260 108.800 0.034 0.000 2.221 230 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.265 230 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.265 230 G C -0.072 174.869 174.900 0.068 0.000 1.041 230 G CA 0.454 45.581 45.100 0.045 0.000 0.807 230 G HN 0.488 nan 8.290 nan 0.000 0.502 231 L N 0.302 121.583 121.223 0.097 0.000 2.257 231 L HA 0.406 4.745 4.340 -0.000 0.000 0.290 231 L C 0.696 177.612 176.870 0.077 0.000 1.044 231 L CA -0.977 53.935 54.840 0.119 0.000 0.810 231 L CB 1.089 43.274 42.059 0.210 0.000 1.193 231 L HN 0.239 nan 8.230 nan 0.000 0.425 235 S N -0.353 115.414 115.700 0.112 0.000 2.535 235 S HA 0.780 5.250 4.470 -0.000 0.000 0.272 235 S C -2.466 172.294 174.600 0.266 0.000 1.149 235 S CA -0.577 57.734 58.200 0.186 0.000 0.888 235 S CB 1.727 65.071 63.200 0.239 0.000 1.110 235 S HN 0.450 nan 8.310 nan 0.000 0.463 236 F N 3.737 123.731 119.950 0.073 0.000 2.604 236 F HA 0.736 5.263 4.527 -0.000 0.000 0.316 236 F C -1.236 174.589 175.800 0.041 0.000 1.136 236 F CA -0.524 57.500 58.000 0.040 0.000 0.989 236 F CB 1.374 40.375 39.000 0.001 0.000 1.258 236 F HN 0.651 nan 8.300 nan 0.000 0.451 237 I N 4.292 124.685 120.570 -0.296 0.000 2.722 237 I HA 0.513 4.682 4.170 -0.000 0.000 0.295 237 I C -1.176 174.814 176.117 -0.212 0.000 1.161 237 I CA -0.411 60.774 61.300 -0.192 0.000 1.032 237 I CB 2.096 39.889 38.000 -0.346 0.000 1.244 237 I HN 0.632 nan 8.210 nan 0.000 0.421 238 S N 7.244 122.942 115.700 -0.002 0.000 2.585 238 S HA 0.713 5.183 4.470 -0.000 0.000 0.277 238 S C -0.425 174.108 174.600 -0.112 0.000 1.241 238 S CA -0.759 57.441 58.200 0.000 0.000 1.041 238 S CB 1.702 65.019 63.200 0.196 0.000 0.987 238 S HN 0.605 nan 8.310 nan 0.000 0.512 239 R N 1.046 121.432 120.500 -0.190 0.000 2.698 239 R HA 0.590 4.930 4.340 -0.000 0.000 0.275 239 R C -3.184 172.994 176.300 -0.204 0.000 1.001 239 R CA -2.259 53.733 56.100 -0.179 0.000 0.896 239 R CB 1.352 31.529 30.300 -0.206 0.000 1.218 239 R HN 0.450 nan 8.270 nan 0.000 0.462 240 P HA 0.187 nan 4.420 nan 0.000 0.270 240 P C -0.111 177.049 177.300 -0.232 0.000 1.223 240 P CA -0.100 62.846 63.100 -0.257 0.000 0.785 240 P CB 0.506 32.076 31.700 -0.217 0.000 0.923 241 I N 2.531 122.952 120.570 -0.249 0.000 2.269 241 I HA 0.130 4.300 4.170 -0.000 0.000 0.293 241 I C 0.625 176.628 176.117 -0.190 0.000 1.106 241 I CA -0.147 61.015 61.300 -0.230 0.000 1.248 241 I CB -0.371 37.474 38.000 -0.258 0.000 1.444 241 I HN 0.391 nan 8.210 nan 0.000 0.497 242 K N 4.637 124.943 120.400 -0.157 0.000 3.203 242 K HA -0.177 4.143 4.320 -0.000 0.000 0.270 242 K C 0.924 177.458 176.600 -0.111 0.000 1.132 242 K CA 0.451 56.666 56.287 -0.121 0.000 0.794 242 K CB -1.761 30.667 32.500 -0.120 0.000 1.270 242 K HN 1.129 nan 8.250 nan 0.000 0.491 243 G N 0.578 109.309 108.800 -0.115 0.000 2.228 243 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.270 243 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.270 243 G C 0.225 175.053 174.900 -0.121 0.000 0.976 243 G CA 1.003 46.039 45.100 -0.107 0.000 0.636 243 G HN 0.488 nan 8.290 nan 0.000 0.542 244 R N 2.290 122.706 120.500 -0.141 0.000 2.345 244 R HA 0.432 4.772 4.340 -0.000 0.000 0.331 244 R C 1.058 177.244 176.300 -0.189 0.000 1.067 244 R CA 0.591 56.603 56.100 -0.147 0.000 0.962 244 R CB -0.042 30.170 30.300 -0.146 0.000 0.987 244 R HN 0.345 nan 8.270 nan 0.000 0.451 245 T N 1.644 116.104 114.554 -0.158 0.000 2.916 245 T HA 0.340 4.690 4.350 -0.000 0.000 0.303 245 T C 1.212 175.781 174.700 -0.218 0.000 1.025 245 T CA 0.035 62.027 62.100 -0.180 0.000 1.142 245 T CB 1.448 70.249 68.868 -0.112 0.000 0.947 245 T HN 0.800 nan 8.240 nan 0.000 0.544 246 G N 2.109 110.702 108.800 -0.345 0.000 2.175 246 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 246 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 246 G C 0.231 174.792 174.900 -0.564 0.000 0.982 246 G CA 0.182 45.065 45.100 -0.362 0.000 0.641 246 G HN 1.486 nan 8.290 nan 0.000 0.527 247 T N -1.772 112.392 114.554 -0.650 0.000 2.943 247 T HA 0.744 5.094 4.350 -0.000 0.000 0.284 247 T C -0.728 173.459 174.700 -0.856 0.000 1.015 247 T CA -0.815 60.951 62.100 -0.558 0.000 1.042 247 T CB 2.334 71.015 68.868 -0.311 0.000 1.055 247 T HN 0.522 nan 8.240 nan 0.000 0.500 248 Y N 0.463 120.649 120.300 -0.190 0.000 2.396 248 Y HA 0.563 5.113 4.550 -0.000 0.000 0.332 248 Y C 0.303 175.882 175.900 -0.535 0.000 1.034 248 Y CA -0.862 57.026 58.100 -0.353 0.000 1.057 248 Y CB 2.327 40.621 38.460 -0.277 0.000 1.220 248 Y HN 1.077 nan 8.280 nan 0.000 0.440 249 S N 1.776 117.154 115.700 -0.537 0.000 2.638 249 S HA 0.900 5.369 4.470 -0.000 0.000 0.302 249 S C -1.399 172.688 174.600 -0.855 0.000 1.096 249 S CA -0.779 57.097 58.200 -0.541 0.000 0.953 249 S CB 1.778 64.832 63.200 -0.244 0.000 1.107 249 S HN 0.298 nan 8.310 nan 0.000 0.503 250 F N 0.006 119.954 119.950 -0.003 0.000 2.556 250 F HA 0.635 5.162 4.527 -0.000 0.000 0.314 250 F C -0.869 174.759 175.800 -0.286 0.000 1.106 250 F CA -0.954 56.924 58.000 -0.204 0.000 0.911 250 F CB 1.568 40.528 39.000 -0.068 0.000 1.190 250 F HN 0.377 nan 8.300 nan 0.000 0.448 251 I N 3.545 123.906 120.570 -0.349 0.000 2.382 251 I HA 0.495 4.665 4.170 -0.000 0.000 0.286 251 I C -0.707 175.167 176.117 -0.405 0.000 1.002 251 I CA -0.685 60.459 61.300 -0.259 0.000 1.135 251 I CB 1.709 39.571 38.000 -0.231 0.000 1.288 251 I HN 0.387 nan 8.210 nan 0.000 0.448 252 V N 5.839 125.651 119.914 -0.170 0.000 2.628 252 V HA 0.650 4.770 4.120 -0.000 0.000 0.306 252 V C -0.385 175.756 176.094 0.078 0.000 1.045 252 V CA -0.036 62.248 62.300 -0.026 0.000 0.905 252 V CB 2.272 34.124 31.823 0.049 0.000 0.997 252 V HN 0.801 nan 8.190 nan 0.000 0.436 253 T N 8.021 122.653 114.554 0.129 0.000 2.770 253 T HA 0.690 5.040 4.350 -0.000 0.000 0.283 253 T C -0.708 174.038 174.700 0.077 0.000 0.988 253 T CA -0.154 62.035 62.100 0.149 0.000 0.957 253 T CB 0.943 69.956 68.868 0.242 0.000 0.930 253 T HN 0.473 nan 8.240 nan 0.000 0.443 254 L N 2.357 123.613 121.223 0.056 0.000 2.354 254 L HA 0.483 4.822 4.340 -0.000 0.000 0.269 254 L C -0.026 176.883 176.870 0.064 0.000 1.005 254 L CA -0.900 53.962 54.840 0.038 0.000 0.819 254 L CB 1.554 43.648 42.059 0.059 0.000 1.311 254 L HN 0.430 nan 8.230 nan 0.000 0.423 255 D N 2.999 123.446 120.400 0.078 0.000 2.688 255 D HA 0.506 5.146 4.640 -0.000 0.000 0.228 255 D C -0.256 176.097 176.300 0.087 0.000 1.116 255 D CA 0.379 54.438 54.000 0.099 0.000 1.023 255 D CB 0.468 41.347 40.800 0.130 0.000 1.100 255 D HN 0.593 nan 8.370 nan 0.000 0.487 256 A N -0.029 122.834 122.820 0.070 0.000 2.608 256 A HA 0.741 5.061 4.320 -0.000 0.000 0.292 256 A C -1.181 176.286 177.584 -0.196 0.000 1.066 256 A CA -0.747 51.313 52.037 0.040 0.000 0.676 256 A CB 1.174 20.324 19.000 0.249 0.000 1.277 256 A HN 0.218 nan 8.150 nan 0.000 0.413 257 A N 1.190 123.702 122.820 -0.513 0.000 2.306 257 A HA 0.764 5.084 4.320 -0.000 0.000 0.314 257 A C -1.977 174.727 177.584 -1.467 0.000 1.164 257 A CA -1.725 49.594 52.037 -1.197 0.000 0.822 257 A CB 0.337 18.139 19.000 -1.997 0.000 1.130 257 A HN 0.447 nan 8.150 nan 0.000 0.496 258 P HA -0.104 nan 4.420 nan 0.000 0.225 258 P C 0.830 177.764 177.300 -0.609 0.000 1.148 258 P CA 1.195 63.313 63.100 -1.637 0.000 0.779 258 P CB -0.081 31.072 31.700 -0.911 0.000 0.780 259 W N 0.106 121.213 121.300 -0.322 0.000 2.800 259 W HA 0.162 4.822 4.660 -0.000 0.000 0.249 259 W C 0.205 176.677 176.519 -0.078 0.000 1.294 259 W CA -0.317 56.933 57.345 -0.159 0.000 1.402 259 W CB -1.505 27.863 29.460 -0.153 0.000 1.126 259 W HN -0.116 nan 8.180 nan 0.000 0.652 260 E N 1.839 121.943 120.200 -0.160 0.000 2.413 260 E HA -0.103 4.246 4.350 -0.000 0.000 0.263 260 E C 1.131 177.796 176.600 0.108 0.000 1.015 260 E CA 0.260 56.676 56.400 0.027 0.000 0.916 260 E CB 0.895 30.580 29.700 -0.024 0.000 0.947 260 E HN 0.302 nan 8.360 nan 0.000 0.440 261 E N 3.798 124.063 120.200 0.109 0.000 2.070 261 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 261 E C 2.028 178.684 176.600 0.094 0.000 1.004 261 E CA 1.927 58.383 56.400 0.092 0.000 0.805 261 E CB 0.076 29.818 29.700 0.070 0.000 0.744 261 E HN 0.541 nan 8.360 nan 0.000 0.451 262 R N -0.350 120.206 120.500 0.095 0.000 2.096 262 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 262 R C 2.317 178.671 176.300 0.090 0.000 1.127 262 R CA 1.523 57.667 56.100 0.073 0.000 0.968 262 R CB -0.891 29.450 30.300 0.067 0.000 0.861 262 R HN 0.278 nan 8.270 nan 0.000 0.440 263 F N 1.989 121.934 119.950 -0.008 0.000 2.113 263 F HA -0.062 4.465 4.527 -0.000 0.000 0.297 263 F C 2.955 178.743 175.800 -0.021 0.000 1.103 263 F CA 1.468 59.464 58.000 -0.006 0.000 1.248 263 F CB -0.084 38.889 39.000 -0.045 0.000 0.999 263 F HN -0.091 nan 8.300 nan 0.000 0.475 264 R N 0.503 121.201 120.500 0.329 0.000 2.096 264 R HA -0.219 4.121 4.340 -0.000 0.000 0.240 264 R C 1.768 178.109 176.300 0.068 0.000 1.139 264 R CA 2.393 58.609 56.100 0.193 0.000 0.952 264 R CB -0.545 29.831 30.300 0.127 0.000 0.854 264 R HN 0.278 nan 8.270 nan 0.000 0.436 265 D N -0.033 120.384 120.400 0.028 0.000 2.178 265 D HA -0.081 4.558 4.640 -0.000 0.000 0.202 265 D C 1.732 177.972 176.300 -0.100 0.000 0.974 265 D CA 1.276 55.258 54.000 -0.030 0.000 0.841 265 D CB -0.276 40.509 40.800 -0.025 0.000 0.953 265 D HN 0.403 nan 8.370 nan 0.000 0.478 266 A N 0.865 123.592 122.820 -0.156 0.000 1.883 266 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 266 A C 2.347 179.756 177.584 -0.293 0.000 1.186 266 A CA 1.046 52.897 52.037 -0.311 0.000 0.624 266 A CB -0.876 17.827 19.000 -0.495 0.000 0.822 266 A HN 0.206 nan 8.150 nan 0.000 0.444 267 L N -0.677 120.423 121.223 -0.206 0.000 2.141 267 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 267 L C 2.521 179.336 176.870 -0.092 0.000 1.094 267 L CA 0.710 55.477 54.840 -0.122 0.000 0.763 267 L CB -0.379 41.689 42.059 0.015 0.000 0.908 267 L HN 0.249 nan 8.230 nan 0.000 0.437 268 V N 0.102 119.969 119.914 -0.078 0.000 2.287 268 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 268 V C 2.502 178.507 176.094 -0.150 0.000 1.053 268 V CA 2.271 64.521 62.300 -0.083 0.000 1.027 268 V CB -0.416 31.371 31.823 -0.060 0.000 0.646 268 V HN 0.551 nan 8.190 nan 0.000 0.447 269 E N -0.221 119.861 120.200 -0.196 0.000 2.077 269 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 269 E C 2.173 178.540 176.600 -0.387 0.000 0.989 269 E CA 1.578 57.786 56.400 -0.318 0.000 0.800 269 E CB -0.159 29.384 29.700 -0.262 0.000 0.746 269 E HN 0.624 nan 8.360 nan 0.000 0.452 270 I N 0.808 121.246 120.570 -0.220 0.000 2.252 270 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 270 I C 2.537 178.625 176.117 -0.047 0.000 1.102 270 I CA 0.994 62.234 61.300 -0.099 0.000 1.385 270 I CB -0.236 37.711 38.000 -0.087 0.000 1.064 270 I HN 0.190 nan 8.210 nan 0.000 0.414 271 A N 0.241 123.021 122.820 -0.067 0.000 1.930 271 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 271 A C 2.140 179.710 177.584 -0.024 0.000 1.175 271 A CA 1.446 53.468 52.037 -0.025 0.000 0.627 271 A CB -0.519 18.461 19.000 -0.033 0.000 0.815 271 A HN 0.435 nan 8.150 nan 0.000 0.443 272 E N -1.081 119.063 120.200 -0.093 0.000 2.418 272 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 272 E C 1.116 177.701 176.600 -0.025 0.000 1.026 272 E CA 0.592 56.944 56.400 -0.081 0.000 0.862 272 E CB -0.217 29.405 29.700 -0.130 0.000 0.799 272 E HN 0.854 nan 8.360 nan 0.000 0.518 273 H N -1.020 118.056 119.070 0.011 0.000 2.547 273 H HA 0.091 4.647 4.556 -0.000 0.000 0.266 273 H C 1.312 176.664 175.328 0.040 0.000 0.988 273 H CA 0.052 56.111 56.048 0.019 0.000 1.147 273 H CB 0.666 30.435 29.762 0.012 0.000 1.365 273 H HN 0.313 nan 8.280 nan 0.000 0.589 274 G N 0.838 109.726 108.800 0.146 0.000 2.179 274 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.220 274 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.220 274 G C -0.433 174.559 174.900 0.153 0.000 0.990 274 G CA -0.001 45.177 45.100 0.129 0.000 0.646 274 G HN 0.289 nan 8.290 nan 0.000 0.517 275 D N -0.425 120.075 120.400 0.168 0.000 2.372 275 D HA 0.410 5.050 4.640 -0.000 0.000 0.243 275 D C 0.281 176.729 176.300 0.248 0.000 1.121 275 D CA -0.171 53.957 54.000 0.213 0.000 0.898 275 D CB 0.647 41.573 40.800 0.211 0.000 1.202 275 D HN 0.361 nan 8.370 nan 0.000 0.428 276 W N 1.275 122.627 121.300 0.087 0.000 2.261 276 W HA 0.481 5.141 4.660 -0.000 0.000 0.323 276 W C -0.835 175.740 176.519 0.092 0.000 1.243 276 W CA -0.425 56.965 57.345 0.076 0.000 1.210 276 W CB 0.675 30.173 29.460 0.063 0.000 1.149 276 W HN 0.346 nan 8.180 nan 0.000 0.562 277 A N 5.501 128.041 122.820 -0.466 0.000 2.520 277 A HA 0.676 4.995 4.320 -0.000 0.000 0.298 277 A C -1.610 175.515 177.584 -0.764 0.000 1.051 277 A CA -0.954 50.838 52.037 -0.408 0.000 0.690 277 A CB 1.885 20.817 19.000 -0.113 0.000 1.281 277 A HN 0.608 nan 8.150 nan 0.000 0.402 278 K N 1.008 121.100 120.400 -0.514 0.000 2.535 278 K HA 0.537 4.857 4.320 -0.000 0.000 0.251 278 K C -1.309 175.246 176.600 -0.075 0.000 0.942 278 K CA -0.273 55.789 56.287 -0.374 0.000 0.798 278 K CB 1.976 34.170 32.500 -0.510 0.000 1.267 278 K HN 0.629 nan 8.250 nan 0.000 0.434 279 T N 5.040 119.579 114.554 -0.025 0.000 2.743 279 T HA 0.246 4.595 4.350 -0.000 0.000 0.293 279 T C 1.201 175.928 174.700 0.045 0.000 0.945 279 T CA -0.367 61.758 62.100 0.041 0.000 1.030 279 T CB 0.506 69.392 68.868 0.029 0.000 0.912 279 T HN 0.488 nan 8.240 nan 0.000 0.483 280 L N 1.862 123.130 121.223 0.075 0.000 2.416 280 L HA 0.458 4.798 4.340 -0.000 0.000 0.216 280 L C 1.092 177.977 176.870 0.024 0.000 1.098 280 L CA 0.056 54.941 54.840 0.076 0.000 0.840 280 L CB -0.020 42.121 42.059 0.136 0.000 0.981 280 L HN 0.633 nan 8.230 nan 0.000 0.462 281 A N -0.286 122.548 122.820 0.025 0.000 2.577 281 A HA 0.657 4.977 4.320 -0.000 0.000 0.297 281 A C -1.404 176.177 177.584 -0.004 0.000 1.060 281 A CA -0.370 51.689 52.037 0.036 0.000 0.697 281 A CB 1.721 20.741 19.000 0.035 0.000 1.281 281 A HN -0.202 nan 8.150 nan 0.000 0.402 282 V N 2.760 122.697 119.914 0.038 0.000 2.569 282 V HA 0.720 4.840 4.120 -0.000 0.000 0.301 282 V C -1.153 175.037 176.094 0.160 0.000 1.044 282 V CA -0.439 61.826 62.300 -0.058 0.000 0.874 282 V CB 0.992 32.789 31.823 -0.044 0.000 1.002 282 V HN 1.278 nan 8.190 nan 0.000 0.424 283 Y N 3.364 123.794 120.300 0.217 0.000 2.638 283 Y HA 0.848 5.397 4.550 -0.000 0.000 0.335 283 Y C -3.281 172.587 175.900 -0.053 0.000 1.155 283 Y CA -3.579 54.620 58.100 0.164 0.000 1.046 283 Y CB 1.143 39.589 38.460 -0.023 0.000 1.303 283 Y HN 0.348 nan 8.280 nan 0.000 0.460 284 P HA 0.092 nan 4.420 nan 0.000 0.266 284 P C -0.664 176.544 177.300 -0.154 0.000 1.195 284 P CA -0.015 62.794 63.100 -0.486 0.000 0.768 284 P CB 0.502 32.034 31.700 -0.280 0.000 0.838 285 R N 4.001 124.361 120.500 -0.233 0.000 2.421 285 R HA 0.049 4.389 4.340 -0.000 0.000 0.305 285 R C 0.529 176.773 176.300 -0.094 0.000 1.039 285 R CA 0.092 56.133 56.100 -0.097 0.000 1.003 285 R CB 0.024 30.268 30.300 -0.093 0.000 0.959 285 R HN 0.430 nan 8.270 nan 0.000 0.427 286 R N 2.686 123.147 120.500 -0.066 0.000 2.582 286 R HA 0.125 4.465 4.340 -0.000 0.000 0.271 286 R C -0.712 175.387 176.300 -0.336 0.000 1.078 286 R CA -0.537 55.487 56.100 -0.127 0.000 1.127 286 R CB 0.594 30.878 30.300 -0.028 0.000 1.038 286 R HN 0.727 nan 8.270 nan 0.000 0.500 287 E N 2.457 122.517 120.200 -0.233 0.000 2.152 287 E HA 0.072 4.422 4.350 -0.000 0.000 0.285 287 E C -0.788 175.681 176.600 -0.218 0.000 1.043 287 E CA -0.635 55.620 56.400 -0.242 0.000 0.839 287 E CB 0.511 30.148 29.700 -0.104 0.000 1.069 287 E HN 0.551 nan 8.360 nan 0.000 0.399 288 H N 5.817 124.908 119.070 0.034 0.000 2.668 288 H HA 0.189 4.745 4.556 -0.000 0.000 0.303 288 H C -1.948 173.402 175.328 0.037 0.000 1.074 288 H CA -2.517 53.552 56.048 0.036 0.000 1.406 288 H CB 0.250 30.040 29.762 0.045 0.000 1.442 288 H HN 0.498 nan 8.280 nan 0.000 0.482 289 P HA -0.125 nan 4.420 nan 0.000 0.261 289 P C 0.363 177.743 177.300 0.134 0.000 1.173 289 P CA 0.303 63.464 63.100 0.101 0.000 0.760 289 P CB 0.579 32.321 31.700 0.071 0.000 0.783 290 N N 3.529 122.305 118.700 0.127 0.000 2.886 290 N HA 0.192 4.931 4.740 -0.000 0.000 0.285 290 N C -2.318 173.294 175.510 0.171 0.000 1.706 290 N CA -2.088 51.056 53.050 0.155 0.000 0.904 290 N CB -0.120 38.447 38.487 0.133 0.000 1.224 290 N HN 0.212 nan 8.380 nan 0.000 0.488 291 P HA 0.188 nan 4.420 nan 0.000 0.264 291 P C -2.727 174.766 177.300 0.322 0.000 1.193 291 P CA -0.738 62.504 63.100 0.237 0.000 0.763 291 P CB 0.229 32.073 31.700 0.240 0.000 0.810 292 P HA 0.002 nan 4.420 nan 0.000 0.272 292 P C 1.157 178.320 177.300 -0.229 0.000 1.223 292 P CA -0.239 62.854 63.100 -0.011 0.000 0.784 292 P CB 0.973 32.658 31.700 -0.025 0.000 0.923 293 V N 2.302 121.842 119.914 -0.622 0.000 2.332 293 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 293 V C 2.691 178.437 176.094 -0.579 0.000 1.055 293 V CA 3.052 64.599 62.300 -1.256 0.000 1.038 293 V CB -1.876 29.332 31.823 -1.025 0.000 0.651 293 V HN 0.766 nan 8.190 nan 0.000 0.450 294 T N -1.558 112.818 114.554 -0.296 0.000 2.946 294 T HA -0.167 4.182 4.350 -0.000 0.000 0.271 294 T C 1.633 176.309 174.700 -0.040 0.000 1.104 294 T CA 1.571 63.590 62.100 -0.134 0.000 1.114 294 T CB -0.445 68.368 68.868 -0.093 0.000 0.867 294 T HN 0.614 nan 8.240 nan 0.000 0.513 295 S N -1.448 114.257 115.700 0.007 0.000 2.556 295 S HA 0.216 4.686 4.470 -0.000 0.000 0.216 295 S C 0.308 175.065 174.600 0.261 0.000 0.970 295 S CA -1.071 57.198 58.200 0.115 0.000 0.912 295 S CB -0.426 62.847 63.200 0.122 0.000 0.790 295 S HN 0.497 nan 8.310 nan 0.000 0.504 299 P HA 0.457 nan 4.420 nan 0.000 0.274 299 P C -0.911 176.389 177.300 0.001 0.000 1.246 299 P CA -0.742 62.358 63.100 -0.001 0.000 0.795 299 P CB 0.361 32.055 31.700 -0.009 0.000 1.006 300 Q N 0.558 120.358 119.800 -0.001 0.000 2.386 300 Q HA 0.308 4.648 4.340 -0.000 0.000 0.282 300 Q C 1.103 177.099 176.000 -0.006 0.000 1.050 300 Q CA 1.352 57.154 55.803 -0.002 0.000 0.918 300 Q CB -0.008 28.729 28.738 -0.002 0.000 1.266 300 Q HN 0.850 nan 8.270 nan 0.000 0.423 301 G N 1.204 110.000 108.800 -0.006 0.000 2.547 301 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.271 301 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.271 301 G C 0.268 175.157 174.900 -0.019 0.000 1.209 301 G CA -0.068 45.025 45.100 -0.012 0.000 0.959 301 G HN 1.538 nan 8.290 nan 0.000 0.563 302 G N -3.231 105.551 108.800 -0.030 0.000 2.795 302 G HA2 0.320 4.279 3.960 -0.000 0.000 0.664 302 G HA3 0.320 4.279 3.960 -0.000 0.000 0.664 302 G C -0.383 174.488 174.900 -0.049 0.000 1.381 302 G CA 0.278 45.353 45.100 -0.043 0.000 0.853 302 G HN 1.987 nan 8.290 nan 0.000 0.545 303 V N 1.100 120.973 119.914 -0.069 0.000 2.459 303 V HA 0.842 4.962 4.120 -0.000 0.000 0.295 303 V C 0.566 176.598 176.094 -0.104 0.000 1.029 303 V CA -0.312 61.938 62.300 -0.083 0.000 0.874 303 V CB 1.740 33.502 31.823 -0.102 0.000 0.985 303 V HN 0.989 nan 8.190 nan 0.000 0.438 304 R N 4.718 125.151 120.500 -0.112 0.000 2.515 304 R HA 0.612 4.952 4.340 -0.000 0.000 0.291 304 R C -1.873 174.331 176.300 -0.161 0.000 1.046 304 R CA -0.583 55.443 56.100 -0.124 0.000 0.914 304 R CB 1.364 31.623 30.300 -0.069 0.000 1.191 304 R HN 0.705 nan 8.270 nan 0.000 0.435 305 L N 2.249 123.330 121.223 -0.238 0.000 2.344 305 L HA 0.356 4.696 4.340 -0.000 0.000 0.272 305 L C -0.042 176.726 176.870 -0.169 0.000 1.035 305 L CA -0.995 53.685 54.840 -0.268 0.000 0.807 305 L CB 1.476 43.244 42.059 -0.485 0.000 1.237 305 L HN 0.586 nan 8.230 nan 0.000 0.442 306 D N 1.250 121.579 120.400 -0.118 0.000 2.342 306 D HA -0.021 4.619 4.640 -0.000 0.000 0.260 306 D C 0.726 176.982 176.300 -0.074 0.000 1.278 306 D CA -0.133 53.830 54.000 -0.061 0.000 0.910 306 D CB 0.959 41.764 40.800 0.008 0.000 1.079 306 D HN 0.580 nan 8.370 nan 0.000 0.496 307 D N 1.096 121.452 120.400 -0.073 0.000 2.219 307 D HA -0.198 4.442 4.640 -0.000 0.000 0.205 307 D C 1.429 177.707 176.300 -0.036 0.000 0.970 307 D CA 1.356 55.313 54.000 -0.072 0.000 0.851 307 D CB -0.084 40.677 40.800 -0.066 0.000 0.943 307 D HN 0.242 nan 8.370 nan 0.000 0.488 308 S N -2.006 113.689 115.700 -0.007 0.000 2.501 308 S HA -0.018 4.452 4.470 -0.000 0.000 0.220 308 S C 0.481 175.131 174.600 0.083 0.000 0.997 308 S CA 0.060 58.275 58.200 0.024 0.000 0.919 308 S CB -0.475 62.736 63.200 0.019 0.000 0.778 308 S HN 0.514 nan 8.310 nan 0.000 0.523 309 H N 0.627 119.682 119.070 -0.025 0.000 2.651 309 H HA 0.529 5.085 4.556 -0.000 0.000 0.252 309 H C -0.890 174.428 175.328 -0.016 0.000 1.365 309 H CA -0.671 55.370 56.048 -0.013 0.000 1.539 309 H CB -0.193 29.563 29.762 -0.009 0.000 1.621 309 H HN 0.172 nan 8.280 nan 0.000 0.526 310 L N 4.299 125.360 121.223 -0.270 0.000 2.456 310 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 310 L C -1.654 175.053 176.870 -0.272 0.000 1.189 310 L CA -1.843 52.864 54.840 -0.221 0.000 0.846 310 L CB 0.270 42.267 42.059 -0.104 0.000 1.111 310 L HN 0.527 nan 8.230 nan 0.000 0.475 311 P HA 0.087 nan 4.420 nan 0.000 0.272 311 P C -1.073 176.306 177.300 0.131 0.000 1.230 311 P CA -0.382 62.723 63.100 0.009 0.000 0.788 311 P CB 0.501 32.258 31.700 0.094 0.000 0.949 312 D N 0.705 121.163 120.400 0.097 0.000 2.210 312 D HA 0.069 4.709 4.640 -0.000 0.000 0.249 312 D C 0.582 176.942 176.300 0.100 0.000 1.078 312 D CA 0.348 54.402 54.000 0.090 0.000 0.875 312 D CB 0.099 40.927 40.800 0.047 0.000 1.175 312 D HN 0.578 nan 8.370 nan 0.000 0.440 313 D N 3.246 123.671 120.400 0.041 0.000 2.911 313 D HA -0.176 4.464 4.640 -0.000 0.000 0.227 313 D C 0.946 177.234 176.300 -0.021 0.000 1.164 313 D CA 0.443 54.418 54.000 -0.041 0.000 0.782 313 D CB -0.862 39.928 40.800 -0.018 0.000 1.094 313 D HN 0.750 nan 8.370 nan 0.000 0.425 314 W N 0.563 121.885 121.300 0.036 0.000 2.364 314 W HA -0.191 4.469 4.660 -0.000 0.000 0.281 314 W C 1.549 178.143 176.519 0.125 0.000 1.219 314 W CA 1.134 58.516 57.345 0.063 0.000 1.220 314 W CB -1.140 28.349 29.460 0.049 0.000 1.127 314 W HN 0.216 nan 8.180 nan 0.000 0.556 315 Q N 0.581 119.900 119.800 -0.801 0.000 2.437 315 Q HA -0.107 4.232 4.340 -0.000 0.000 0.210 315 Q C 1.043 176.987 176.000 -0.093 0.000 0.972 315 Q CA 0.990 56.399 55.803 -0.656 0.000 0.903 315 Q CB -0.422 27.768 28.738 -0.912 0.000 0.967 315 Q HN 0.352 nan 8.270 nan 0.000 0.486 316 N N 0.740 119.403 118.700 -0.062 0.000 2.203 316 N HA 0.047 4.787 4.740 -0.000 0.000 0.207 316 N C -0.715 174.844 175.510 0.082 0.000 1.130 316 N CA 0.109 53.167 53.050 0.013 0.000 0.861 316 N CB 0.583 39.041 38.487 -0.048 0.000 1.005 316 N HN 0.170 nan 8.380 nan 0.000 0.507 317 D N 1.129 121.608 120.400 0.131 0.000 2.414 317 D HA -0.036 4.604 4.640 -0.000 0.000 0.242 317 D C 1.326 177.699 176.300 0.122 0.000 1.129 317 D CA 0.087 54.163 54.000 0.126 0.000 0.885 317 D CB 1.632 42.525 40.800 0.156 0.000 1.198 317 D HN 0.088 nan 8.370 nan 0.000 0.437 318 E N 1.170 121.421 120.200 0.086 0.000 2.110 318 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 318 E C 1.619 178.258 176.600 0.065 0.000 0.988 318 E CA 1.519 57.963 56.400 0.072 0.000 0.804 318 E CB 0.188 29.919 29.700 0.051 0.000 0.745 318 E HN 0.641 nan 8.360 nan 0.000 0.458 319 T N -1.609 112.981 114.554 0.060 0.000 2.821 319 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 319 T C 2.109 176.828 174.700 0.031 0.000 1.046 319 T CA 1.372 63.496 62.100 0.041 0.000 1.139 319 T CB -0.601 68.290 68.868 0.038 0.000 0.871 319 T HN -0.010 nan 8.240 nan 0.000 0.454 320 V N 1.591 121.547 119.914 0.070 0.000 2.287 320 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 320 V C 3.034 179.090 176.094 -0.064 0.000 1.053 320 V CA 2.175 64.506 62.300 0.051 0.000 1.027 320 V CB -0.813 31.154 31.823 0.240 0.000 0.646 320 V HN 0.436 nan 8.190 nan 0.000 0.447 321 R N -0.384 120.154 120.500 0.063 0.000 2.091 321 R HA -0.173 4.166 4.340 -0.000 0.000 0.238 321 R C 2.568 178.858 176.300 -0.017 0.000 1.136 321 R CA 1.793 57.950 56.100 0.095 0.000 0.959 321 R CB -0.186 30.223 30.300 0.182 0.000 0.856 321 R HN 0.463 nan 8.270 nan 0.000 0.437 322 R N -0.307 120.187 120.500 -0.010 0.000 2.073 322 R HA -0.065 4.274 4.340 -0.000 0.000 0.229 322 R C 2.065 178.333 176.300 -0.055 0.000 1.120 322 R CA 1.214 57.304 56.100 -0.017 0.000 0.967 322 R CB -0.062 30.238 30.300 0.000 0.000 0.862 322 R HN 0.198 nan 8.270 nan 0.000 0.436 323 E N 0.497 120.647 120.200 -0.083 0.000 2.152 323 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 323 E C 0.978 177.484 176.600 -0.156 0.000 0.983 323 E CA 0.708 57.049 56.400 -0.098 0.000 0.818 323 E CB 0.108 29.756 29.700 -0.087 0.000 0.758 323 E HN 0.278 nan 8.360 nan 0.000 0.467 326 W N 0.000 121.308 121.300 0.013 0.000 2.388 326 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 326 W CA 0.000 57.346 57.345 0.002 0.000 1.226 326 W CB 0.000 29.462 29.460 0.002 0.000 1.126 326 W HN 0.000 nan 8.180 nan 0.000 0.535