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 2xsh_1_K DATA FIRST_RESID 18 DATA SEQUENCE NWTPEAIRGL VDQEKGLLDP RIYADQSLYE LELERVFGRS WLLLGHESHV DATA SEQUENCE PETGDFLATY MGEDPVVMVR QKDKSIKVFL NQCRHRGMRI CRSDAGNAKA DATA SEQUENCE FTCSYHGWAY DIAGKLVNVP FEKEAFXXXX XXXXXFDKAE WGPLQARVAT DATA SEQUENCE YKGLVFANWD VQAPDLETYL GDARPYMDVM LDRTPAGTVA IGGMQKWVIP DATA SEQUENCE CNWKFAAEQF CSDMYHAGTT THLSGILAGI PPEMDLSQAQ IPTKGNQFRA DATA SEQUENCE AWGGHGSGWY VDEPGSLLAV MGPKVTQYWT EGPAAELAEQ RLGHTGMPVR DATA SEQUENCE RMVGQHMTIF PTCSFLPAMN NIRIWHPRGP NEIEVWAFTL VDADAPAEIK DATA SEQUENCE EEYRRHNIRN FSAGGVFEQD DGENWVEIQK GLRGYKAKSQ PLNAQMGLGR DATA SEQUENCE SQTGHPDFPG NVGYVYAEEA ARGMYHHWMR MMSEPSWATL KP 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 18 N HA 0.000 nan 4.740 nan 0.000 0.220 18 N C 0.000 175.454 175.510 -0.093 0.000 1.280 18 N CA 0.000 53.018 53.050 -0.053 0.000 0.885 18 N CB 0.000 38.445 38.487 -0.070 0.000 1.341 19 W N 2.335 123.631 121.300 -0.007 0.000 2.507 19 W HA 0.222 4.882 4.660 -0.000 0.000 0.334 19 W C 1.286 177.788 176.519 -0.030 0.000 1.165 19 W CA -0.204 57.132 57.345 -0.014 0.000 1.460 19 W CB 0.388 29.839 29.460 -0.014 0.000 1.404 19 W HN 0.133 nan 8.180 nan 0.000 0.435 20 T N 1.160 115.800 114.554 0.145 0.000 2.868 20 T HA 0.158 4.508 4.350 -0.000 0.000 0.292 20 T C -1.709 173.045 174.700 0.090 0.000 1.028 20 T CA -1.453 60.696 62.100 0.081 0.000 1.059 20 T CB 1.405 70.291 68.868 0.031 0.000 0.991 20 T HN 0.115 nan 8.240 nan 0.000 0.531 21 P HA 0.001 nan 4.420 nan 0.000 0.222 21 P C 1.091 178.397 177.300 0.011 0.000 1.147 21 P CA 0.712 63.812 63.100 -0.001 0.000 0.790 21 P CB 0.071 31.755 31.700 -0.027 0.000 0.780 22 E N -0.072 120.144 120.200 0.025 0.000 2.072 22 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 22 E C 2.168 178.803 176.600 0.058 0.000 0.985 22 E CA 1.519 57.936 56.400 0.028 0.000 0.801 22 E CB -1.125 28.586 29.700 0.019 0.000 0.750 22 E HN 0.143 nan 8.360 nan 0.000 0.452 23 A N 0.501 123.381 122.820 0.101 0.000 1.898 23 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 23 A C 2.212 179.950 177.584 0.257 0.000 1.181 23 A CA 1.055 53.202 52.037 0.183 0.000 0.620 23 A CB -0.575 18.553 19.000 0.212 0.000 0.819 23 A HN 0.191 nan 8.150 nan 0.000 0.442 24 I N -0.897 119.792 120.570 0.198 0.000 2.315 24 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 24 I C 2.625 178.749 176.117 0.012 0.000 1.117 24 I CA 0.980 62.317 61.300 0.060 0.000 1.404 24 I CB -0.305 37.644 38.000 -0.085 0.000 1.071 24 I HN 0.259 nan 8.210 nan 0.000 0.419 25 R N 0.670 121.174 120.500 0.007 0.000 2.152 25 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 25 R C 2.141 178.460 176.300 0.031 0.000 1.117 25 R CA 1.273 57.369 56.100 -0.006 0.000 0.981 25 R CB -0.476 29.818 30.300 -0.010 0.000 0.870 25 R HN 0.417 nan 8.270 nan 0.000 0.451 26 G N 0.092 108.927 108.800 0.058 0.000 2.920 26 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.208 26 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.208 26 G C 1.225 176.162 174.900 0.062 0.000 1.159 26 G CA -0.129 45.006 45.100 0.059 0.000 0.784 26 G HN 0.125 nan 8.290 nan 0.000 0.535 27 L N -0.206 121.060 121.223 0.073 0.000 2.209 27 L HA 0.167 4.507 4.340 -0.000 0.000 0.207 27 L C 0.330 177.193 176.870 -0.012 0.000 1.094 27 L CA 0.371 55.241 54.840 0.049 0.000 0.790 27 L CB 0.238 42.351 42.059 0.090 0.000 0.932 27 L HN -0.063 nan 8.230 nan 0.000 0.447 28 V N 0.186 120.115 119.914 0.024 0.000 2.376 28 V HA 0.222 4.342 4.120 -0.000 0.000 0.287 28 V C -0.939 175.174 176.094 0.031 0.000 1.015 28 V CA -0.642 61.658 62.300 0.000 0.000 0.834 28 V CB 1.623 33.489 31.823 0.071 0.000 1.001 28 V HN -0.007 nan 8.190 nan 0.000 0.428 29 D N 3.940 124.340 120.400 0.000 0.000 2.485 29 D HA 0.208 4.847 4.640 -0.000 0.000 0.221 29 D C 1.127 177.432 176.300 0.008 0.000 1.112 29 D CA -0.330 53.679 54.000 0.015 0.000 0.911 29 D CB 1.596 42.396 40.800 -0.001 0.000 1.019 29 D HN 0.725 nan 8.370 nan 0.000 0.516 30 Q N 1.920 121.742 119.800 0.036 0.000 2.378 30 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 30 Q C 0.801 176.784 176.000 -0.027 0.000 0.954 30 Q CA 0.767 56.573 55.803 0.004 0.000 0.901 30 Q CB 0.304 29.039 28.738 -0.006 0.000 0.981 30 Q HN 0.198 nan 8.270 nan 0.000 0.483 31 E N 2.141 122.330 120.200 -0.019 0.000 2.015 31 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 31 E C 1.657 178.244 176.600 -0.021 0.000 0.991 31 E CA 1.327 57.713 56.400 -0.024 0.000 0.802 31 E CB -0.032 29.659 29.700 -0.014 0.000 0.759 31 E HN 0.503 nan 8.360 nan 0.000 0.447 32 K N -0.422 119.968 120.400 -0.016 0.000 2.365 32 K HA 0.113 4.433 4.320 -0.000 0.000 0.197 32 K C 0.671 177.257 176.600 -0.024 0.000 1.042 32 K CA 0.553 56.829 56.287 -0.018 0.000 0.987 32 K CB 0.358 32.849 32.500 -0.015 0.000 0.779 32 K HN 0.233 nan 8.250 nan 0.000 0.484 33 G N 2.011 110.794 108.800 -0.027 0.000 2.401 33 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.283 33 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.283 33 G C -0.526 174.346 174.900 -0.047 0.000 1.117 33 G CA -0.309 44.770 45.100 -0.035 0.000 1.051 33 G HN 0.118 nan 8.290 nan 0.000 0.510 34 L N -0.227 120.963 121.223 -0.056 0.000 2.408 34 L HA 0.750 5.090 4.340 -0.000 0.000 0.268 34 L C 0.224 177.025 176.870 -0.115 0.000 0.986 34 L CA -1.076 53.722 54.840 -0.069 0.000 0.820 34 L CB 2.176 44.208 42.059 -0.045 0.000 1.303 34 L HN 0.133 nan 8.230 nan 0.000 0.411 35 L N 2.196 123.329 121.223 -0.150 0.000 2.356 35 L HA 0.408 4.748 4.340 -0.000 0.000 0.277 35 L C -0.532 176.241 176.870 -0.161 0.000 0.996 35 L CA -0.587 54.107 54.840 -0.243 0.000 0.822 35 L CB 2.106 43.923 42.059 -0.404 0.000 1.256 35 L HN 0.531 nan 8.230 nan 0.000 0.413 36 D N 5.071 125.376 120.400 -0.159 0.000 2.358 36 D HA 0.110 4.749 4.640 -0.000 0.000 0.258 36 D C -1.713 174.523 176.300 -0.107 0.000 1.223 36 D CA -1.518 52.428 54.000 -0.091 0.000 0.886 36 D CB 1.938 42.714 40.800 -0.040 0.000 1.120 36 D HN 0.233 nan 8.370 nan 0.000 0.482 37 P HA -0.091 nan 4.420 nan 0.000 0.221 37 P C 1.110 178.469 177.300 0.097 0.000 1.145 37 P CA 0.894 64.060 63.100 0.110 0.000 0.795 37 P CB 0.236 31.985 31.700 0.082 0.000 0.775 38 R N -0.132 120.385 120.500 0.028 0.000 2.193 38 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 38 R C 2.347 178.615 176.300 -0.054 0.000 1.110 38 R CA 1.151 57.282 56.100 0.052 0.000 0.988 38 R CB -1.040 29.346 30.300 0.144 0.000 0.871 38 R HN 0.348 nan 8.270 nan 0.000 0.458 39 I N -2.193 118.225 120.570 -0.254 0.000 2.315 39 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 39 I C 1.095 176.901 176.117 -0.518 0.000 1.125 39 I CA 1.601 62.611 61.300 -0.482 0.000 1.392 39 I CB -0.471 36.993 38.000 -0.893 0.000 1.065 39 I HN 0.033 nan 8.210 nan 0.000 0.424 40 Y N 0.939 121.052 120.300 -0.312 0.000 2.490 40 Y HA 0.447 4.997 4.550 -0.000 0.000 0.281 40 Y C 2.293 178.120 175.900 -0.122 0.000 1.174 40 Y CA 0.305 58.203 58.100 -0.337 0.000 1.295 40 Y CB -0.051 38.146 38.460 -0.439 0.000 1.062 40 Y HN 0.253 nan 8.280 nan 0.000 0.522 41 A N -1.425 121.444 122.820 0.083 0.000 2.066 41 A HA 0.047 4.367 4.320 -0.000 0.000 0.198 41 A C 0.404 178.047 177.584 0.099 0.000 1.405 41 A CA -0.213 51.883 52.037 0.099 0.000 0.973 41 A CB 0.155 19.224 19.000 0.115 0.000 1.026 41 A HN 0.158 nan 8.150 nan 0.000 0.474 42 D N 0.201 120.668 120.400 0.111 0.000 2.425 42 D HA 0.106 4.746 4.640 -0.000 0.000 0.247 42 D C 0.770 177.173 176.300 0.173 0.000 1.147 42 D CA 0.166 54.266 54.000 0.166 0.000 0.879 42 D CB 1.446 42.386 40.800 0.232 0.000 1.179 42 D HN 0.231 nan 8.370 nan 0.000 0.456 43 Q N 2.108 122.018 119.800 0.182 0.000 2.123 43 Q HA -0.108 4.232 4.340 -0.000 0.000 0.199 43 Q C 1.774 177.914 176.000 0.234 0.000 0.966 43 Q CA 1.436 57.355 55.803 0.192 0.000 0.845 43 Q CB -0.070 28.755 28.738 0.144 0.000 0.907 43 Q HN 0.424 nan 8.270 nan 0.000 0.439 44 S N 0.121 115.971 115.700 0.249 0.000 2.368 44 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 44 S C 1.810 176.471 174.600 0.101 0.000 1.030 44 S CA 1.172 59.526 58.200 0.257 0.000 0.999 44 S CB -0.332 63.161 63.200 0.489 0.000 0.844 44 S HN 0.368 nan 8.310 nan 0.000 0.459 45 L N -0.197 121.003 121.223 -0.039 0.000 2.093 45 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 45 L C 2.386 179.284 176.870 0.048 0.000 1.085 45 L CA 1.479 56.192 54.840 -0.211 0.000 0.755 45 L CB -0.510 41.356 42.059 -0.322 0.000 0.904 45 L HN 0.343 nan 8.230 nan 0.000 0.435 46 Y N 1.179 121.518 120.300 0.064 0.000 2.145 46 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 46 Y C 2.442 178.411 175.900 0.115 0.000 1.145 46 Y CA 1.814 60.002 58.100 0.146 0.000 1.148 46 Y CB -0.142 38.400 38.460 0.136 0.000 0.981 46 Y HN 0.182 nan 8.280 nan 0.000 0.507 47 E N -0.350 119.891 120.200 0.070 0.000 2.118 47 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 47 E C 2.037 178.582 176.600 -0.092 0.000 0.992 47 E CA 1.175 57.559 56.400 -0.027 0.000 0.804 47 E CB -0.174 29.574 29.700 0.081 0.000 0.741 47 E HN 0.372 nan 8.360 nan 0.000 0.458 48 L N 1.042 122.223 121.223 -0.070 0.000 2.156 48 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 48 L C 2.104 178.896 176.870 -0.131 0.000 1.095 48 L CA 1.467 56.244 54.840 -0.104 0.000 0.770 48 L CB -0.875 41.105 42.059 -0.132 0.000 0.914 48 L HN 0.193 nan 8.230 nan 0.000 0.439 49 E N 0.005 120.146 120.200 -0.098 0.000 2.058 49 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 49 E C 2.342 178.954 176.600 0.020 0.000 0.997 49 E CA 0.944 57.340 56.400 -0.005 0.000 0.801 49 E CB -0.085 29.765 29.700 0.251 0.000 0.746 49 E HN 0.416 nan 8.360 nan 0.000 0.450 50 L N 0.724 121.885 121.223 -0.103 0.000 2.127 50 L HA -0.228 4.111 4.340 -0.000 0.000 0.211 50 L C 2.612 179.477 176.870 -0.008 0.000 1.089 50 L CA 1.259 56.063 54.840 -0.060 0.000 0.757 50 L CB -0.368 41.551 42.059 -0.233 0.000 0.899 50 L HN 0.236 nan 8.230 nan 0.000 0.434 51 E N -0.185 119.979 120.200 -0.061 0.000 2.030 51 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 51 E C 2.330 178.890 176.600 -0.067 0.000 0.974 51 E CA 0.423 56.786 56.400 -0.061 0.000 0.807 51 E CB 0.253 29.907 29.700 -0.077 0.000 0.771 51 E HN 0.238 nan 8.360 nan 0.000 0.451 52 R N 0.064 120.492 120.500 -0.120 0.000 2.173 52 R HA 0.059 4.399 4.340 -0.000 0.000 0.208 52 R C 2.080 178.262 176.300 -0.195 0.000 1.035 52 R CA 0.453 56.441 56.100 -0.187 0.000 1.004 52 R CB 0.215 30.354 30.300 -0.268 0.000 0.917 52 R HN 0.185 nan 8.270 nan 0.000 0.462 53 V N -0.695 119.115 119.914 -0.173 0.000 2.602 53 V HA 0.010 4.130 4.120 -0.000 0.000 0.235 53 V C 1.758 177.710 176.094 -0.235 0.000 1.087 53 V CA 0.964 63.124 62.300 -0.232 0.000 1.117 53 V CB -0.421 31.197 31.823 -0.341 0.000 0.820 53 V HN 0.007 nan 8.190 nan 0.000 0.490 54 F N 1.561 121.457 119.950 -0.090 0.000 2.367 54 F HA 0.122 4.649 4.527 -0.000 0.000 0.298 54 F C 2.317 178.155 175.800 0.064 0.000 1.094 54 F CA 1.233 59.187 58.000 -0.078 0.000 1.409 54 F CB -0.622 38.280 39.000 -0.163 0.000 1.064 54 F HN 0.253 nan 8.300 nan 0.000 0.528 55 G N 0.269 109.208 108.800 0.233 0.000 2.744 55 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.211 55 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.211 55 G C 1.328 176.400 174.900 0.287 0.000 1.143 55 G CA 0.416 45.681 45.100 0.274 0.000 0.788 55 G HN 0.470 nan 8.290 nan 0.000 0.534 56 R N -1.443 119.174 120.500 0.196 0.000 2.519 56 R HA 0.355 4.695 4.340 -0.000 0.000 0.375 56 R C -0.138 176.300 176.300 0.229 0.000 0.926 56 R CA -0.249 55.989 56.100 0.230 0.000 1.166 56 R CB 0.104 30.598 30.300 0.325 0.000 1.626 56 R HN 0.049 nan 8.270 nan 0.000 0.529 57 S N 0.579 116.350 115.700 0.118 0.000 2.713 57 S HA 0.371 4.841 4.470 -0.000 0.000 0.283 57 S C -1.060 173.416 174.600 -0.207 0.000 1.161 57 S CA -0.616 57.650 58.200 0.110 0.000 0.999 57 S CB 0.627 63.957 63.200 0.216 0.000 1.039 57 S HN 0.243 nan 8.310 nan 0.000 0.548 58 W N 1.939 123.025 121.300 -0.357 0.000 2.311 58 W HA 0.521 5.180 4.660 -0.000 0.000 0.310 58 W C -0.649 175.948 176.519 0.129 0.000 1.274 58 W CA -0.347 56.838 57.345 -0.267 0.000 1.215 58 W CB 0.213 29.276 29.460 -0.662 0.000 1.227 58 W HN 0.261 nan 8.180 nan 0.000 0.523 59 L N 4.893 126.358 121.223 0.403 0.000 2.365 59 L HA 0.450 4.790 4.340 -0.000 0.000 0.273 59 L C -0.331 176.643 176.870 0.173 0.000 1.000 59 L CA -1.427 53.581 54.840 0.280 0.000 0.819 59 L CB 1.237 43.351 42.059 0.092 0.000 1.284 59 L HN 0.203 nan 8.230 nan 0.000 0.418 60 L N 2.786 123.971 121.223 -0.064 0.000 2.426 60 L HA 0.219 4.559 4.340 -0.000 0.000 0.271 60 L C 0.264 177.030 176.870 -0.172 0.000 1.169 60 L CA 0.710 55.277 54.840 -0.454 0.000 0.836 60 L CB 0.672 42.489 42.059 -0.403 0.000 1.112 60 L HN 0.608 nan 8.230 nan 0.000 0.465 61 L N 3.529 124.664 121.223 -0.148 0.000 2.854 61 L HA 0.567 4.907 4.340 -0.000 0.000 0.249 61 L C 0.830 177.710 176.870 0.018 0.000 1.091 61 L CA 0.318 55.133 54.840 -0.041 0.000 0.935 61 L CB 0.298 42.322 42.059 -0.059 0.000 1.367 61 L HN 0.841 nan 8.230 nan 0.000 0.524 62 G N -1.553 107.282 108.800 0.059 0.000 2.398 62 G HA2 0.106 4.066 3.960 -0.000 0.000 0.251 62 G HA3 0.106 4.066 3.960 -0.000 0.000 0.251 62 G C -1.986 173.067 174.900 0.254 0.000 1.277 62 G CA -0.604 44.587 45.100 0.152 0.000 0.927 62 G HN -0.034 nan 8.290 nan 0.000 0.477 63 H N 0.234 119.422 119.070 0.196 0.000 2.731 63 H HA 0.443 4.999 4.556 -0.000 0.000 0.368 63 H C 0.879 176.168 175.328 -0.064 0.000 1.168 63 H CA -0.249 55.771 56.048 -0.048 0.000 1.181 63 H CB 2.376 31.944 29.762 -0.324 0.000 1.743 63 H HN 0.613 nan 8.280 nan 0.000 0.547 64 E N 0.918 120.949 120.200 -0.281 0.000 2.160 64 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 64 E C 1.550 178.154 176.600 0.007 0.000 0.991 64 E CA 1.605 57.939 56.400 -0.109 0.000 0.810 64 E CB 0.233 29.836 29.700 -0.160 0.000 0.742 64 E HN 0.545 nan 8.360 nan 0.000 0.466 65 S N -0.603 115.161 115.700 0.106 0.000 2.562 65 S HA -0.047 4.423 4.470 -0.000 0.000 0.221 65 S C 1.394 175.955 174.600 -0.064 0.000 0.975 65 S CA 0.328 58.540 58.200 0.019 0.000 0.918 65 S CB -0.334 62.871 63.200 0.009 0.000 0.772 65 S HN 0.361 nan 8.310 nan 0.000 0.531 66 H N 1.175 120.238 119.070 -0.011 0.000 2.462 66 H HA 0.135 4.691 4.556 -0.000 0.000 0.292 66 H C 0.744 176.034 175.328 -0.064 0.000 1.049 66 H CA 1.108 57.105 56.048 -0.085 0.000 1.334 66 H CB 0.292 29.967 29.762 -0.145 0.000 1.404 66 H HN 0.473 nan 8.280 nan 0.000 0.544 67 V N -1.518 118.442 119.914 0.077 0.000 2.405 67 V HA 0.233 4.353 4.120 -0.000 0.000 0.253 67 V C -2.375 173.735 176.094 0.026 0.000 0.963 67 V CA -1.393 60.929 62.300 0.038 0.000 1.003 67 V CB 1.527 33.384 31.823 0.057 0.000 1.251 67 V HN 0.043 nan 8.190 nan 0.000 0.520 68 P HA 0.131 nan 4.420 nan 0.000 0.224 68 P C 0.330 177.636 177.300 0.009 0.000 1.157 68 P CA 1.122 64.226 63.100 0.007 0.000 0.799 68 P CB 0.763 32.462 31.700 -0.002 0.000 0.809 69 E N -0.555 119.650 120.200 0.009 0.000 2.281 69 E HA 0.267 4.617 4.350 -0.000 0.000 0.262 69 E C -0.191 176.425 176.600 0.026 0.000 0.933 69 E CA -0.655 55.752 56.400 0.012 0.000 0.809 69 E CB 0.827 30.529 29.700 0.004 0.000 1.242 69 E HN -0.194 nan 8.360 nan 0.000 0.418 70 T N 0.630 115.202 114.554 0.030 0.000 2.905 70 T HA 0.256 4.606 4.350 -0.000 0.000 0.299 70 T C 1.106 175.837 174.700 0.052 0.000 1.024 70 T CA 1.465 63.592 62.100 0.045 0.000 1.151 70 T CB 0.094 68.983 68.868 0.036 0.000 0.987 70 T HN 0.738 nan 8.240 nan 0.000 0.535 71 G N 3.321 112.173 108.800 0.087 0.000 2.199 71 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 71 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 71 G C -0.142 174.848 174.900 0.149 0.000 0.982 71 G CA -0.222 44.943 45.100 0.108 0.000 0.632 71 G HN 0.705 nan 8.290 nan 0.000 0.529 72 D N 0.885 121.340 120.400 0.092 0.000 2.390 72 D HA 0.540 5.180 4.640 -0.000 0.000 0.249 72 D C 0.594 176.974 176.300 0.133 0.000 1.144 72 D CA 0.437 54.447 54.000 0.016 0.000 0.880 72 D CB 0.483 41.269 40.800 -0.023 0.000 1.182 72 D HN 0.451 nan 8.370 nan 0.000 0.451 73 F N 0.415 120.439 119.950 0.123 0.000 2.611 73 F HA 0.752 5.279 4.527 -0.000 0.000 0.324 73 F C -1.376 174.457 175.800 0.055 0.000 1.061 73 F CA -1.553 56.526 58.000 0.132 0.000 0.954 73 F CB 1.160 40.337 39.000 0.295 0.000 1.301 73 F HN 0.102 nan 8.300 nan 0.000 0.482 74 L N 2.291 123.690 121.223 0.294 0.000 2.541 74 L HA 0.745 5.085 4.340 -0.000 0.000 0.266 74 L C -1.002 175.934 176.870 0.111 0.000 0.966 74 L CA -0.525 54.403 54.840 0.148 0.000 0.871 74 L CB 1.439 43.509 42.059 0.018 0.000 1.232 74 L HN 1.059 nan 8.230 nan 0.000 0.408 75 A N 3.420 126.327 122.820 0.144 0.000 2.395 75 A HA 0.594 4.914 4.320 -0.000 0.000 0.286 75 A C 0.221 177.845 177.584 0.066 0.000 1.193 75 A CA 0.581 52.621 52.037 0.005 0.000 0.852 75 A CB 0.143 19.151 19.000 0.013 0.000 1.118 75 A HN 0.746 nan 8.150 nan 0.000 0.524 76 T N 1.394 115.890 114.554 -0.097 0.000 2.604 76 T HA 0.711 5.061 4.350 -0.000 0.000 0.267 76 T C -1.356 172.995 174.700 -0.581 0.000 0.923 76 T CA -0.345 61.690 62.100 -0.110 0.000 1.077 76 T CB 0.572 69.455 68.868 0.025 0.000 1.392 76 T HN 0.442 nan 8.240 nan 0.000 0.531 77 Y N 0.183 120.113 120.300 -0.617 0.000 2.512 77 Y HA 0.653 5.203 4.550 -0.000 0.000 0.348 77 Y C -0.085 175.616 175.900 -0.332 0.000 0.990 77 Y CA -0.910 56.829 58.100 -0.602 0.000 1.033 77 Y CB 2.146 39.964 38.460 -1.069 0.000 1.259 77 Y HN 0.400 nan 8.280 nan 0.000 0.461 78 M N 2.930 122.522 119.600 -0.012 0.000 2.023 78 M HA 0.423 4.903 4.480 -0.000 0.000 0.325 78 M C 0.653 177.004 176.300 0.084 0.000 0.963 78 M CA -0.083 55.247 55.300 0.050 0.000 0.928 78 M CB 1.085 33.698 32.600 0.021 0.000 1.429 78 M HN 1.008 nan 8.290 nan 0.000 0.404 79 G N 2.706 111.445 108.800 -0.102 0.000 2.596 79 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.304 79 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.304 79 G C 0.351 175.101 174.900 -0.250 0.000 1.189 79 G CA 0.384 45.240 45.100 -0.408 0.000 0.986 79 G HN 0.738 nan 8.290 nan 0.000 0.548 80 E N 1.544 121.660 120.200 -0.140 0.000 2.501 80 E HA 0.163 4.513 4.350 -0.000 0.000 0.200 80 E C -0.616 176.067 176.600 0.139 0.000 1.016 80 E CA -0.146 56.223 56.400 -0.052 0.000 0.921 80 E CB 0.368 30.036 29.700 -0.053 0.000 1.034 80 E HN 0.417 nan 8.360 nan 0.000 0.468 81 D N 3.408 123.906 120.400 0.163 0.000 2.313 81 D HA 0.134 4.774 4.640 -0.000 0.000 0.239 81 D C -2.291 174.040 176.300 0.052 0.000 1.142 81 D CA -1.650 52.432 54.000 0.138 0.000 0.847 81 D CB 1.426 42.329 40.800 0.171 0.000 1.082 81 D HN 0.002 nan 8.370 nan 0.000 0.480 82 P HA 0.018 nan 4.420 nan 0.000 0.276 82 P C -0.223 176.870 177.300 -0.345 0.000 1.235 82 P CA -0.333 62.388 63.100 -0.632 0.000 0.772 82 P CB 1.115 32.524 31.700 -0.485 0.000 0.871 83 V N 1.877 121.549 119.914 -0.403 0.000 2.960 83 V HA 0.673 4.792 4.120 -0.000 0.000 0.315 83 V C -0.552 175.286 176.094 -0.427 0.000 1.087 83 V CA -1.084 61.030 62.300 -0.310 0.000 0.982 83 V CB 2.216 33.908 31.823 -0.217 0.000 1.039 83 V HN 0.218 nan 8.190 nan 0.000 0.437 84 V N 4.074 123.603 119.914 -0.641 0.000 2.417 84 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 84 V C -0.035 175.709 176.094 -0.583 0.000 1.024 84 V CA -0.378 61.500 62.300 -0.703 0.000 0.861 84 V CB 1.477 32.599 31.823 -1.168 0.000 0.985 84 V HN 1.028 nan 8.190 nan 0.000 0.436 85 M N 6.566 126.017 119.600 -0.249 0.000 2.036 85 M HA 0.652 5.132 4.480 -0.000 0.000 0.337 85 M C -1.532 174.789 176.300 0.035 0.000 1.012 85 M CA -0.414 54.822 55.300 -0.107 0.000 0.962 85 M CB 1.225 33.788 32.600 -0.062 0.000 1.423 85 M HN 0.602 nan 8.290 nan 0.000 0.405 86 V N 5.458 125.428 119.914 0.095 0.000 2.588 86 V HA 0.620 4.740 4.120 -0.000 0.000 0.304 86 V C -0.860 175.349 176.094 0.192 0.000 1.042 86 V CA -0.744 61.697 62.300 0.234 0.000 0.877 86 V CB 2.088 34.172 31.823 0.435 0.000 0.996 86 V HN 0.991 nan 8.190 nan 0.000 0.425 87 R N 4.795 125.391 120.500 0.161 0.000 2.490 87 R HA 0.443 4.783 4.340 -0.000 0.000 0.280 87 R C -0.224 176.150 176.300 0.124 0.000 1.077 87 R CA 0.073 56.243 56.100 0.116 0.000 1.065 87 R CB 0.701 31.050 30.300 0.081 0.000 1.003 87 R HN 0.801 nan 8.270 nan 0.000 0.470 88 Q N 2.567 122.427 119.800 0.100 0.000 2.248 88 Q HA 0.153 4.493 4.340 -0.000 0.000 0.263 88 Q C 0.268 176.305 176.000 0.062 0.000 1.007 88 Q CA -0.602 55.255 55.803 0.091 0.000 0.877 88 Q CB 1.264 30.055 28.738 0.087 0.000 1.315 88 Q HN 0.641 nan 8.270 nan 0.000 0.454 89 K N 1.023 121.454 120.400 0.053 0.000 2.160 89 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 89 K C 0.357 176.975 176.600 0.030 0.000 1.047 89 K CA 1.597 57.906 56.287 0.036 0.000 0.930 89 K CB 0.206 32.724 32.500 0.030 0.000 0.720 89 K HN 0.623 nan 8.250 nan 0.000 0.450 90 D N 0.267 120.687 120.400 0.033 0.000 2.538 90 D HA -0.003 4.637 4.640 -0.000 0.000 0.234 90 D C -0.211 176.106 176.300 0.029 0.000 1.191 90 D CA 0.033 54.049 54.000 0.027 0.000 0.828 90 D CB 0.102 40.918 40.800 0.026 0.000 0.981 90 D HN 0.108 nan 8.370 nan 0.000 0.490 91 K N -0.853 119.565 120.400 0.031 0.000 3.495 91 K HA -0.218 4.102 4.320 -0.000 0.000 0.315 91 K C 0.440 177.059 176.600 0.031 0.000 1.301 91 K CA 1.301 57.604 56.287 0.027 0.000 0.985 91 K CB -1.846 30.664 32.500 0.016 0.000 1.244 91 K HN 0.553 nan 8.250 nan 0.000 0.433 92 S N 0.513 116.237 115.700 0.041 0.000 2.669 92 S HA 0.653 5.123 4.470 -0.000 0.000 0.270 92 S C 0.253 174.891 174.600 0.064 0.000 1.225 92 S CA -0.944 57.285 58.200 0.047 0.000 0.991 92 S CB 1.348 64.578 63.200 0.050 0.000 0.987 92 S HN 0.238 nan 8.310 nan 0.000 0.552 93 I N 1.092 121.702 120.570 0.067 0.000 2.378 93 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 93 I C -0.110 176.064 176.117 0.094 0.000 0.992 93 I CA -0.768 60.580 61.300 0.080 0.000 1.154 93 I CB 1.566 39.603 38.000 0.062 0.000 1.315 93 I HN 0.401 nan 8.210 nan 0.000 0.448 94 K N 5.598 126.075 120.400 0.130 0.000 2.213 94 K HA 0.563 4.882 4.320 -0.000 0.000 0.270 94 K C -0.921 175.762 176.600 0.138 0.000 1.002 94 K CA -0.670 55.715 56.287 0.164 0.000 0.868 94 K CB 2.545 35.187 32.500 0.237 0.000 1.093 94 K HN 0.303 nan 8.250 nan 0.000 0.454 95 V N 5.577 125.541 119.914 0.084 0.000 2.357 95 V HA 0.458 4.578 4.120 -0.000 0.000 0.284 95 V C -0.611 175.514 176.094 0.053 0.000 1.018 95 V CA -0.812 61.459 62.300 -0.048 0.000 0.841 95 V CB 0.269 32.017 31.823 -0.124 0.000 0.991 95 V HN 0.630 nan 8.190 nan 0.000 0.437 96 F N 3.813 123.752 119.950 -0.017 0.000 2.588 96 F HA 0.808 5.335 4.527 -0.000 0.000 0.314 96 F C -0.883 174.941 175.800 0.041 0.000 1.069 96 F CA -1.801 56.221 58.000 0.038 0.000 0.931 96 F CB 1.239 40.243 39.000 0.007 0.000 1.260 96 F HN 0.321 nan 8.300 nan 0.000 0.465 97 L N 2.885 124.320 121.223 0.354 0.000 2.525 97 L HA 0.156 4.496 4.340 -0.000 0.000 0.278 97 L C 0.515 177.439 176.870 0.091 0.000 1.218 97 L CA 0.489 55.455 54.840 0.210 0.000 0.878 97 L CB -0.152 41.991 42.059 0.140 0.000 1.127 97 L HN 0.795 nan 8.230 nan 0.000 0.492 98 N N 4.592 123.248 118.700 -0.073 0.000 3.111 98 N HA 0.083 4.823 4.740 -0.000 0.000 0.302 98 N C -1.016 174.451 175.510 -0.072 0.000 1.317 98 N CA 0.201 53.167 53.050 -0.140 0.000 1.151 98 N CB -0.286 38.053 38.487 -0.248 0.000 1.456 98 N HN 0.689 nan 8.380 nan 0.000 0.547 99 Q N 0.598 120.387 119.800 -0.019 0.000 2.268 99 Q HA 0.219 4.559 4.340 -0.000 0.000 0.266 99 Q C -1.334 174.684 176.000 0.030 0.000 1.006 99 Q CA -0.652 55.153 55.803 0.003 0.000 0.824 99 Q CB 1.435 30.179 28.738 0.009 0.000 1.306 99 Q HN 0.286 nan 8.270 nan 0.000 0.424 100 C N 3.897 123.233 119.300 0.061 0.000 2.593 100 C HA 0.323 4.783 4.460 -0.000 0.000 0.409 100 C C 1.414 176.518 174.990 0.189 0.000 1.304 100 C CA -0.103 59.012 59.018 0.161 0.000 2.007 100 C CB -0.123 27.739 27.740 0.203 0.000 2.614 100 C HN 0.963 nan 8.230 nan 0.000 0.585 101 R N 1.984 122.685 120.500 0.334 0.000 2.313 101 R HA -0.007 4.333 4.340 -0.000 0.000 0.199 101 R C 1.821 178.304 176.300 0.306 0.000 0.958 101 R CA 0.185 56.519 56.100 0.391 0.000 1.047 101 R CB -0.276 30.392 30.300 0.613 0.000 0.955 101 R HN 0.845 nan 8.270 nan 0.000 0.481 102 H N 0.276 119.259 119.070 -0.146 0.000 2.266 102 H HA 0.015 4.571 4.556 -0.000 0.000 0.308 102 H C 1.005 176.167 175.328 -0.277 0.000 1.057 102 H CA 1.270 56.977 56.048 -0.567 0.000 1.330 102 H CB 0.546 29.423 29.762 -1.475 0.000 1.400 102 H HN -0.074 nan 8.280 nan 0.000 0.503 103 R N -1.084 119.207 120.500 -0.347 0.000 2.549 103 R HA 0.172 4.512 4.340 -0.000 0.000 0.399 103 R C 0.406 176.708 176.300 0.003 0.000 0.964 103 R CA 0.690 56.640 56.100 -0.249 0.000 1.173 103 R CB 0.767 30.850 30.300 -0.361 0.000 1.535 103 R HN 0.669 nan 8.270 nan 0.000 0.551 104 G N 0.355 109.177 108.800 0.036 0.000 2.195 104 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.224 104 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.224 104 G C 0.106 175.044 174.900 0.063 0.000 0.990 104 G CA 0.164 45.295 45.100 0.051 0.000 0.639 104 G HN 0.239 nan 8.290 nan 0.000 0.514 105 M N 1.787 121.453 119.600 0.110 0.000 2.250 105 M HA 0.370 4.850 4.480 -0.000 0.000 0.337 105 M C 0.913 177.243 176.300 0.049 0.000 1.161 105 M CA -0.452 54.899 55.300 0.085 0.000 1.088 105 M CB 0.247 32.941 32.600 0.157 0.000 1.639 105 M HN 0.352 nan 8.290 nan 0.000 0.447 106 R N 4.284 124.792 120.500 0.013 0.000 2.421 106 R HA 0.091 4.431 4.340 -0.000 0.000 0.305 106 R C 0.565 176.856 176.300 -0.016 0.000 1.039 106 R CA 0.033 56.121 56.100 -0.020 0.000 1.003 106 R CB 0.038 30.320 30.300 -0.030 0.000 0.959 106 R HN 0.945 nan 8.270 nan 0.000 0.427 107 I N 2.909 123.441 120.570 -0.063 0.000 2.233 107 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 107 I C 1.010 177.081 176.117 -0.077 0.000 1.093 107 I CA 0.801 62.061 61.300 -0.066 0.000 1.380 107 I CB 0.101 37.974 38.000 -0.212 0.000 1.067 107 I HN 0.536 nan 8.210 nan 0.000 0.413 108 C N 1.886 121.059 119.300 -0.212 0.000 2.271 108 C HA 0.368 4.828 4.460 -0.000 0.000 0.323 108 C C 1.465 176.372 174.990 -0.138 0.000 1.245 108 C CA -0.596 58.260 59.018 -0.270 0.000 1.548 108 C CB -0.271 27.081 27.740 -0.646 0.000 2.214 108 C HN 0.356 nan 8.230 nan 0.000 0.477 109 R N 2.656 123.136 120.500 -0.034 0.000 2.362 109 R HA 0.155 4.495 4.340 -0.000 0.000 0.227 109 R C 0.709 177.048 176.300 0.065 0.000 0.905 109 R CA 0.100 56.210 56.100 0.018 0.000 1.067 109 R CB 0.381 30.702 30.300 0.035 0.000 1.078 109 R HN 0.811 nan 8.270 nan 0.000 0.516 110 S N -1.214 114.558 115.700 0.120 0.000 2.689 110 S HA 0.278 4.748 4.470 -0.000 0.000 0.306 110 S C 0.115 174.850 174.600 0.225 0.000 1.104 110 S CA -0.958 57.353 58.200 0.184 0.000 0.973 110 S CB 1.948 65.301 63.200 0.255 0.000 1.121 110 S HN -0.185 nan 8.310 nan 0.000 0.523 111 D N 1.130 121.625 120.400 0.157 0.000 2.097 111 D HA 0.310 4.950 4.640 -0.000 0.000 0.195 111 D C 0.807 177.197 176.300 0.149 0.000 0.989 111 D CA 2.055 56.120 54.000 0.108 0.000 0.827 111 D CB -0.244 40.561 40.800 0.009 0.000 0.966 111 D HN 0.878 nan 8.370 nan 0.000 0.456 112 A N -2.093 120.789 122.820 0.102 0.000 2.540 112 A HA 0.677 4.997 4.320 -0.000 0.000 0.291 112 A C -0.173 177.083 177.584 -0.546 0.000 1.083 112 A CA -0.051 51.855 52.037 -0.218 0.000 0.650 112 A CB 1.060 19.954 19.000 -0.177 0.000 1.292 112 A HN 0.459 nan 8.150 nan 0.000 0.435 113 G N -0.181 108.024 108.800 -0.991 0.000 2.340 113 G HA2 0.322 4.282 3.960 -0.000 0.000 0.282 113 G HA3 0.322 4.282 3.960 -0.000 0.000 0.282 113 G C -1.492 172.944 174.900 -0.773 0.000 1.312 113 G CA -0.167 44.522 45.100 -0.686 0.000 0.942 113 G HN 1.157 nan 8.290 nan 0.000 0.495 114 N N 0.511 119.047 118.700 -0.273 0.000 2.399 114 N HA 0.679 5.419 4.740 -0.000 0.000 0.295 114 N C -0.313 175.287 175.510 0.150 0.000 1.048 114 N CA 0.348 53.365 53.050 -0.056 0.000 0.886 114 N CB 1.776 40.245 38.487 -0.030 0.000 1.185 114 N HN 1.205 nan 8.380 nan 0.000 0.487 115 A N 2.785 125.724 122.820 0.199 0.000 2.401 115 A HA 0.442 4.762 4.320 -0.000 0.000 0.310 115 A C 0.337 177.859 177.584 -0.104 0.000 1.075 115 A CA -0.570 51.476 52.037 0.015 0.000 0.746 115 A CB 1.353 20.165 19.000 -0.312 0.000 1.277 115 A HN 0.663 nan 8.150 nan 0.000 0.425 116 K N 0.171 120.501 120.400 -0.117 0.000 2.352 116 K HA 0.463 4.783 4.320 -0.000 0.000 0.194 116 K C 0.368 176.887 176.600 -0.136 0.000 1.038 116 K CA 1.220 57.453 56.287 -0.091 0.000 1.023 116 K CB 0.626 33.100 32.500 -0.045 0.000 0.840 116 K HN 1.034 nan 8.250 nan 0.000 0.519 117 A N 0.380 123.054 122.820 -0.243 0.000 2.590 117 A HA 0.624 4.944 4.320 -0.000 0.000 0.294 117 A C -1.721 175.659 177.584 -0.339 0.000 1.046 117 A CA -0.821 51.087 52.037 -0.216 0.000 0.684 117 A CB 0.413 19.381 19.000 -0.053 0.000 1.279 117 A HN 0.032 nan 8.150 nan 0.000 0.415 118 F N 1.071 121.095 119.950 0.123 0.000 2.427 118 F HA 0.626 5.153 4.527 -0.000 0.000 0.346 118 F C 0.617 176.550 175.800 0.221 0.000 1.120 118 F CA -0.132 57.941 58.000 0.122 0.000 1.033 118 F CB 2.658 41.719 39.000 0.101 0.000 1.126 118 F HN 0.437 nan 8.300 nan 0.000 0.462 119 T N 2.137 116.899 114.554 0.346 0.000 2.824 119 T HA 0.193 4.543 4.350 -0.000 0.000 0.282 119 T C -0.922 173.965 174.700 0.311 0.000 0.993 119 T CA -0.583 61.706 62.100 0.315 0.000 0.967 119 T CB 1.427 70.406 68.868 0.185 0.000 0.960 119 T HN 0.754 nan 8.240 nan 0.000 0.441 120 C N 3.879 123.406 119.300 0.378 0.000 2.576 120 C HA 0.275 4.735 4.460 -0.000 0.000 0.401 120 C C 2.172 177.300 174.990 0.230 0.000 1.314 120 C CA -0.011 59.196 59.018 0.315 0.000 1.855 120 C CB -1.077 26.907 27.740 0.407 0.000 2.537 120 C HN 1.064 nan 8.230 nan 0.000 0.578 121 S N 4.285 120.088 115.700 0.171 0.000 2.474 121 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 121 S C 1.449 176.135 174.600 0.144 0.000 0.997 121 S CA 1.054 59.330 58.200 0.127 0.000 0.949 121 S CB -0.467 62.778 63.200 0.074 0.000 0.766 121 S HN 0.952 nan 8.310 nan 0.000 0.517 122 Y N 1.483 121.765 120.300 -0.030 0.000 2.159 122 Y HA -0.010 4.540 4.550 -0.000 0.000 0.285 122 Y C 1.785 177.461 175.900 -0.373 0.000 1.106 122 Y CA 1.147 59.114 58.100 -0.222 0.000 1.095 122 Y CB 0.251 38.582 38.460 -0.215 0.000 1.015 122 Y HN 0.390 nan 8.280 nan 0.000 0.491 123 H N -1.354 117.789 119.070 0.121 0.000 2.785 123 H HA 0.278 4.834 4.556 -0.000 0.000 0.268 123 H C 0.932 176.358 175.328 0.163 0.000 1.153 123 H CA 0.425 56.490 56.048 0.029 0.000 1.111 123 H CB 0.992 30.641 29.762 -0.189 0.000 1.633 123 H HN 0.524 nan 8.280 nan 0.000 0.576 124 G N 0.374 109.336 108.800 0.271 0.000 2.153 124 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.252 124 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.252 124 G C -0.430 174.659 174.900 0.315 0.000 0.994 124 G CA -0.232 45.021 45.100 0.255 0.000 0.698 124 G HN 0.241 nan 8.290 nan 0.000 0.521 125 W N 0.860 122.195 121.300 0.058 0.000 2.489 125 W HA 0.578 5.238 4.660 -0.000 0.000 0.327 125 W C 0.666 177.094 176.519 -0.151 0.000 1.436 125 W CA -0.219 57.076 57.345 -0.083 0.000 1.315 125 W CB 0.020 29.454 29.460 -0.043 0.000 1.373 125 W HN 0.641 nan 8.180 nan 0.000 0.557 126 A N 5.008 127.750 122.820 -0.130 0.000 2.303 126 A HA 0.800 5.120 4.320 -0.000 0.000 0.317 126 A C -1.692 175.693 177.584 -0.331 0.000 1.149 126 A CA -0.416 51.569 52.037 -0.086 0.000 0.822 126 A CB 0.667 19.640 19.000 -0.046 0.000 1.131 126 A HN 0.500 nan 8.150 nan 0.000 0.493 127 Y N 0.533 120.896 120.300 0.105 0.000 2.512 127 Y HA 0.408 4.958 4.550 -0.000 0.000 0.348 127 Y C 0.050 175.999 175.900 0.082 0.000 0.990 127 Y CA -1.092 57.056 58.100 0.081 0.000 1.033 127 Y CB 1.723 40.248 38.460 0.109 0.000 1.259 127 Y HN 0.843 nan 8.280 nan 0.000 0.461 128 D N 1.277 121.783 120.400 0.176 0.000 2.411 128 D HA 0.072 4.712 4.640 -0.000 0.000 0.251 128 D C 0.997 177.420 176.300 0.205 0.000 1.201 128 D CA -0.536 53.534 54.000 0.118 0.000 0.996 128 D CB 0.749 41.581 40.800 0.053 0.000 1.101 128 D HN 0.649 nan 8.370 nan 0.000 0.504 129 I N -3.583 117.081 120.570 0.156 0.000 3.241 129 I HA 0.105 4.275 4.170 -0.000 0.000 0.280 129 I C 1.389 177.717 176.117 0.352 0.000 1.320 129 I CA 0.681 62.155 61.300 0.290 0.000 1.413 129 I CB -0.326 37.763 38.000 0.149 0.000 1.060 129 I HN 0.319 nan 8.210 nan 0.000 0.500 130 A N 1.202 124.141 122.820 0.198 0.000 2.220 130 A HA 0.531 4.851 4.320 -0.000 0.000 0.211 130 A C 1.868 179.451 177.584 -0.001 0.000 1.176 130 A CA 0.509 52.634 52.037 0.146 0.000 0.834 130 A CB -0.262 18.787 19.000 0.082 0.000 0.868 130 A HN 0.821 nan 8.150 nan 0.000 0.488 131 G N -0.732 107.898 108.800 -0.283 0.000 2.134 131 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.209 131 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.209 131 G C 0.069 174.767 174.900 -0.337 0.000 0.993 131 G CA 0.295 44.813 45.100 -0.970 0.000 0.669 131 G HN 0.582 nan 8.290 nan 0.000 0.519 132 K N 0.385 120.741 120.400 -0.074 0.000 2.183 132 K HA 0.606 4.926 4.320 -0.000 0.000 0.274 132 K C 0.104 176.747 176.600 0.071 0.000 1.009 132 K CA -1.038 55.254 56.287 0.009 0.000 0.888 132 K CB 0.870 33.360 32.500 -0.015 0.000 1.078 132 K HN 0.156 nan 8.250 nan 0.000 0.459 133 L N 6.560 127.807 121.223 0.039 0.000 2.433 133 L HA 0.043 4.383 4.340 -0.000 0.000 0.275 133 L C 0.381 177.106 176.870 -0.243 0.000 1.128 133 L CA 0.498 55.221 54.840 -0.195 0.000 0.875 133 L CB 0.994 42.960 42.059 -0.156 0.000 1.171 133 L HN 0.603 nan 8.230 nan 0.000 0.463 134 V N 1.541 121.286 119.914 -0.281 0.000 3.359 134 V HA 0.396 4.516 4.120 -0.000 0.000 0.245 134 V C 0.612 176.554 176.094 -0.253 0.000 1.247 134 V CA -0.032 62.139 62.300 -0.215 0.000 1.145 134 V CB -0.239 31.506 31.823 -0.130 0.000 0.906 134 V HN 0.822 nan 8.190 nan 0.000 0.464 135 N N 0.018 118.536 118.700 -0.303 0.000 2.260 135 N HA 0.540 5.280 4.740 -0.000 0.000 0.293 135 N C -1.974 173.293 175.510 -0.404 0.000 1.058 135 N CA -0.170 52.702 53.050 -0.297 0.000 0.824 135 N CB 3.118 41.484 38.487 -0.202 0.000 1.551 135 N HN 0.101 nan 8.380 nan 0.000 0.475 136 V N 4.184 123.834 119.914 -0.440 0.000 2.376 136 V HA 0.371 4.491 4.120 -0.000 0.000 0.287 136 V C -2.251 173.676 176.094 -0.277 0.000 1.015 136 V CA -1.677 60.283 62.300 -0.565 0.000 0.834 136 V CB 1.552 32.866 31.823 -0.849 0.000 1.001 136 V HN 0.610 nan 8.190 nan 0.000 0.428 137 P HA 0.159 nan 4.420 nan 0.000 0.261 137 P C -0.103 177.165 177.300 -0.052 0.000 1.183 137 P CA 0.330 63.288 63.100 -0.237 0.000 0.761 137 P CB -0.192 31.479 31.700 -0.048 0.000 0.785 138 F N 0.334 120.305 119.950 0.036 0.000 3.074 138 F HA -0.236 4.290 4.527 -0.000 0.000 0.287 138 F C 1.566 177.439 175.800 0.122 0.000 0.932 138 F CA 0.693 58.732 58.000 0.064 0.000 0.995 138 F CB -2.087 36.954 39.000 0.069 0.000 0.966 138 F HN 0.399 nan 8.300 nan 0.000 0.721 139 E N 1.170 121.447 120.200 0.128 0.000 2.047 139 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 139 E C 2.407 179.131 176.600 0.207 0.000 0.987 139 E CA 1.817 58.280 56.400 0.105 0.000 0.799 139 E CB 0.056 29.681 29.700 -0.126 0.000 0.752 139 E HN 0.629 nan 8.360 nan 0.000 0.449 140 K N 0.738 121.210 120.400 0.121 0.000 2.155 140 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 140 K C 1.776 178.457 176.600 0.136 0.000 1.052 140 K CA 1.595 57.949 56.287 0.111 0.000 0.948 140 K CB -0.536 31.998 32.500 0.057 0.000 0.728 140 K HN 0.124 nan 8.250 nan 0.000 0.448 141 E N -0.321 119.981 120.200 0.170 0.000 2.072 141 E HA 0.122 4.472 4.350 -0.000 0.000 0.190 141 E C 1.902 178.561 176.600 0.098 0.000 0.982 141 E CA 1.392 57.876 56.400 0.141 0.000 0.803 141 E CB 0.136 29.953 29.700 0.194 0.000 0.755 141 E HN 0.565 nan 8.360 nan 0.000 0.453 142 A N -1.161 121.748 122.820 0.149 0.000 2.431 142 A HA 0.328 4.648 4.320 -0.000 0.000 0.239 142 A C -0.029 177.425 177.584 -0.216 0.000 1.230 142 A CA -0.214 51.808 52.037 -0.024 0.000 0.928 142 A CB 0.289 19.262 19.000 -0.044 0.000 1.006 142 A HN 0.076 nan 8.150 nan 0.000 0.520 154 D N 5.087 125.197 120.400 -0.483 0.000 2.757 154 D HA 0.381 5.021 4.640 -0.000 0.000 0.249 154 D C 0.423 176.331 176.300 -0.654 0.000 1.168 154 D CA -0.416 53.273 54.000 -0.517 0.000 0.870 154 D CB 2.330 43.015 40.800 -0.192 0.000 1.411 154 D HN 0.663 nan 8.370 nan 0.000 0.525 155 K N 1.713 121.685 120.400 -0.714 0.000 2.103 155 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 155 K C 1.695 178.159 176.600 -0.227 0.000 1.048 155 K CA 1.317 57.288 56.287 -0.527 0.000 0.930 155 K CB 0.030 32.251 32.500 -0.464 0.000 0.716 155 K HN 0.435 nan 8.250 nan 0.000 0.444 156 A N 1.460 124.164 122.820 -0.193 0.000 2.131 156 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 156 A C 1.697 179.227 177.584 -0.090 0.000 1.158 156 A CA 1.436 53.405 52.037 -0.114 0.000 0.665 156 A CB -0.270 18.667 19.000 -0.105 0.000 0.795 156 A HN 0.326 nan 8.150 nan 0.000 0.460 157 E N -2.356 117.785 120.200 -0.099 0.000 2.250 157 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 157 E C 0.267 176.709 176.600 -0.264 0.000 0.986 157 E CA 0.315 56.609 56.400 -0.178 0.000 0.849 157 E CB 0.011 29.600 29.700 -0.184 0.000 0.797 157 E HN 0.863 nan 8.360 nan 0.000 0.482 158 W N 1.274 122.580 121.300 0.011 0.000 2.937 158 W HA 0.321 4.981 4.660 -0.000 0.000 0.435 158 W C 0.543 177.205 176.519 0.238 0.000 0.912 158 W CA -0.534 56.916 57.345 0.176 0.000 2.209 158 W CB 0.770 30.441 29.460 0.352 0.000 1.144 158 W HN -0.088 nan 8.180 nan 0.000 0.762 159 G N 1.475 110.432 108.800 0.261 0.000 2.462 159 G HA2 0.513 4.473 3.960 -0.000 0.000 0.319 159 G HA3 0.513 4.473 3.960 -0.000 0.000 0.319 159 G C -2.357 172.649 174.900 0.177 0.000 1.171 159 G CA -1.339 43.929 45.100 0.280 0.000 0.920 159 G HN -0.281 nan 8.290 nan 0.000 0.499 160 P HA 0.062 nan 4.420 nan 0.000 0.269 160 P C -0.057 177.307 177.300 0.106 0.000 1.209 160 P CA -0.537 62.616 63.100 0.089 0.000 0.776 160 P CB 1.025 32.765 31.700 0.066 0.000 0.876 161 L N 3.392 124.677 121.223 0.103 0.000 2.615 161 L HA -0.044 4.296 4.340 -0.000 0.000 0.271 161 L C 0.579 177.623 176.870 0.290 0.000 1.183 161 L CA 0.828 55.737 54.840 0.115 0.000 0.933 161 L CB -0.525 41.519 42.059 -0.026 0.000 1.199 161 L HN 0.267 nan 8.230 nan 0.000 0.487 162 Q N 4.232 124.178 119.800 0.243 0.000 2.340 162 Q HA 0.538 4.877 4.340 -0.000 0.000 0.249 162 Q C -0.313 175.863 176.000 0.292 0.000 0.957 162 Q CA 0.042 56.004 55.803 0.265 0.000 0.882 162 Q CB 1.367 30.203 28.738 0.163 0.000 1.235 162 Q HN 0.815 nan 8.270 nan 0.000 0.439 163 A N 2.519 125.433 122.820 0.157 0.000 2.340 163 A HA 0.537 4.857 4.320 -0.000 0.000 0.331 163 A C -0.404 177.150 177.584 -0.050 0.000 1.140 163 A CA -0.789 51.222 52.037 -0.042 0.000 0.801 163 A CB 0.846 19.516 19.000 -0.551 0.000 1.234 163 A HN 0.683 nan 8.150 nan 0.000 0.469 164 R N 0.575 121.021 120.500 -0.090 0.000 2.458 164 R HA 0.312 4.652 4.340 -0.000 0.000 0.303 164 R C -0.903 175.433 176.300 0.061 0.000 1.013 164 R CA 0.070 56.160 56.100 -0.015 0.000 1.026 164 R CB 0.149 30.405 30.300 -0.073 0.000 0.948 164 R HN 0.380 nan 8.270 nan 0.000 0.417 165 V N 2.452 122.463 119.914 0.160 0.000 2.417 165 V HA 0.642 4.761 4.120 -0.000 0.000 0.291 165 V C 0.015 176.268 176.094 0.264 0.000 1.024 165 V CA -0.729 61.697 62.300 0.211 0.000 0.861 165 V CB 1.551 33.442 31.823 0.113 0.000 0.985 165 V HN 0.910 nan 8.190 nan 0.000 0.436 166 A N 3.171 126.174 122.820 0.306 0.000 2.414 166 A HA 0.830 5.150 4.320 -0.000 0.000 0.306 166 A C -0.323 177.332 177.584 0.118 0.000 1.054 166 A CA -0.534 51.559 52.037 0.093 0.000 0.724 166 A CB 1.890 20.740 19.000 -0.251 0.000 1.267 166 A HN 0.642 nan 8.150 nan 0.000 0.418 167 T N 1.603 116.204 114.554 0.078 0.000 2.779 167 T HA 0.434 4.784 4.350 -0.000 0.000 0.280 167 T C -1.306 173.473 174.700 0.131 0.000 0.987 167 T CA 0.226 62.389 62.100 0.105 0.000 0.966 167 T CB 0.352 69.238 68.868 0.030 0.000 0.933 167 T HN 0.460 nan 8.240 nan 0.000 0.442 168 Y N 4.134 124.474 120.300 0.067 0.000 2.842 168 Y HA 0.301 4.851 4.550 -0.000 0.000 0.334 168 Y C 0.226 176.146 175.900 0.034 0.000 1.019 168 Y CA -0.790 57.328 58.100 0.029 0.000 1.258 168 Y CB 0.010 38.483 38.460 0.021 0.000 1.106 168 Y HN 0.644 nan 8.280 nan 0.000 0.545 169 K N 4.323 124.551 120.400 -0.286 0.000 4.856 169 K HA -0.273 4.047 4.320 -0.000 0.000 0.306 169 K C 0.979 177.487 176.600 -0.154 0.000 0.895 169 K CA 0.966 57.103 56.287 -0.249 0.000 0.963 169 K CB -1.394 30.893 32.500 -0.355 0.000 1.737 169 K HN 1.175 nan 8.250 nan 0.000 0.424 170 G N 0.821 109.493 108.800 -0.214 0.000 2.900 170 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.223 170 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.223 170 G C 0.328 174.902 174.900 -0.544 0.000 1.293 170 G CA 0.159 44.934 45.100 -0.542 0.000 0.792 170 G HN 0.352 nan 8.290 nan 0.000 0.527 171 L N 1.465 122.608 121.223 -0.135 0.000 2.490 171 L HA 0.419 4.759 4.340 -0.000 0.000 0.274 171 L C 0.351 177.274 176.870 0.088 0.000 1.201 171 L CA -0.116 54.761 54.840 0.063 0.000 0.869 171 L CB 1.095 43.323 42.059 0.282 0.000 1.123 171 L HN 0.136 nan 8.230 nan 0.000 0.484 172 V N 4.317 124.233 119.914 0.002 0.000 2.378 172 V HA 0.390 4.510 4.120 -0.000 0.000 0.288 172 V C -0.256 175.817 176.094 -0.035 0.000 1.016 172 V CA -0.405 61.923 62.300 0.046 0.000 0.840 172 V CB 1.287 33.122 31.823 0.020 0.000 0.994 172 V HN 0.373 nan 8.190 nan 0.000 0.431 173 F N 2.497 122.526 119.950 0.132 0.000 2.483 173 F HA 0.885 5.412 4.527 -0.000 0.000 0.329 173 F C 0.490 176.466 175.800 0.294 0.000 1.064 173 F CA -0.508 57.623 58.000 0.217 0.000 0.986 173 F CB 1.996 41.137 39.000 0.235 0.000 1.218 173 F HN 0.548 nan 8.300 nan 0.000 0.484 174 A N 1.936 125.006 122.820 0.415 0.000 2.515 174 A HA 0.682 5.002 4.320 -0.000 0.000 0.298 174 A C -1.598 175.763 177.584 -0.372 0.000 1.059 174 A CA -0.628 51.434 52.037 0.042 0.000 0.698 174 A CB 1.757 20.634 19.000 -0.205 0.000 1.289 174 A HN 0.639 nan 8.150 nan 0.000 0.404 175 N N 0.517 118.736 118.700 -0.802 0.000 2.235 175 N HA 0.317 5.057 4.740 -0.000 0.000 0.293 175 N C -0.289 174.859 175.510 -0.603 0.000 1.083 175 N CA -0.570 51.902 53.050 -0.964 0.000 0.801 175 N CB 1.381 38.816 38.487 -1.753 0.000 1.559 175 N HN 0.738 nan 8.380 nan 0.000 0.472 176 W N 0.147 121.297 121.300 -0.250 0.000 2.584 176 W HA 0.081 4.741 4.660 -0.000 0.000 0.264 176 W C 0.336 176.782 176.519 -0.121 0.000 1.264 176 W CA -0.225 57.038 57.345 -0.138 0.000 1.306 176 W CB 0.421 29.833 29.460 -0.079 0.000 1.110 176 W HN 0.442 nan 8.180 nan 0.000 0.606 177 D N -0.182 120.247 120.400 0.048 0.000 2.392 177 D HA 0.093 4.733 4.640 -0.000 0.000 0.228 177 D C 1.233 177.511 176.300 -0.037 0.000 1.074 177 D CA -0.240 53.797 54.000 0.062 0.000 0.838 177 D CB 1.706 42.612 40.800 0.176 0.000 1.067 177 D HN -0.058 nan 8.370 nan 0.000 0.511 178 V N 2.400 122.315 119.914 0.002 0.000 2.469 178 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 178 V C 1.752 177.818 176.094 -0.045 0.000 1.064 178 V CA 1.264 63.554 62.300 -0.017 0.000 1.066 178 V CB -0.719 31.111 31.823 0.011 0.000 0.667 178 V HN 0.531 nan 8.190 nan 0.000 0.461 179 Q N 1.249 121.043 119.800 -0.009 0.000 2.224 179 Q HA 0.118 4.458 4.340 -0.000 0.000 0.203 179 Q C 1.435 177.202 176.000 -0.389 0.000 0.970 179 Q CA 1.188 56.979 55.803 -0.019 0.000 0.865 179 Q CB -0.367 28.515 28.738 0.239 0.000 0.922 179 Q HN 0.814 nan 8.270 nan 0.000 0.445 180 A N 2.663 125.133 122.820 -0.583 0.000 2.425 180 A HA 0.278 4.598 4.320 -0.000 0.000 0.242 180 A C -2.139 175.079 177.584 -0.611 0.000 1.077 180 A CA -1.068 50.285 52.037 -1.140 0.000 0.781 180 A CB -0.296 18.334 19.000 -0.617 0.000 1.020 180 A HN -0.032 nan 8.150 nan 0.000 0.494 181 P HA 0.165 nan 4.420 nan 0.000 0.269 181 P C -0.580 176.791 177.300 0.119 0.000 1.215 181 P CA -0.048 62.929 63.100 -0.205 0.000 0.780 181 P CB 0.319 31.886 31.700 -0.221 0.000 0.898 182 D N 1.000 121.433 120.400 0.055 0.000 2.361 182 D HA -0.040 4.600 4.640 -0.000 0.000 0.239 182 D C 1.138 177.321 176.300 -0.195 0.000 1.200 182 D CA -0.442 53.590 54.000 0.052 0.000 0.915 182 D CB 0.173 40.958 40.800 -0.025 0.000 1.170 182 D HN 0.116 nan 8.370 nan 0.000 0.444 183 L N 0.159 120.993 121.223 -0.649 0.000 2.012 183 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 183 L C 1.967 178.529 176.870 -0.512 0.000 1.073 183 L CA 1.854 56.059 54.840 -1.058 0.000 0.748 183 L CB -0.796 40.568 42.059 -1.158 0.000 0.891 183 L HN 0.445 nan 8.230 nan 0.000 0.431 184 E N -0.515 119.498 120.200 -0.312 0.000 2.058 184 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 184 E C 2.087 178.599 176.600 -0.147 0.000 0.997 184 E CA 2.062 58.342 56.400 -0.201 0.000 0.801 184 E CB -0.716 28.924 29.700 -0.100 0.000 0.746 184 E HN 0.584 nan 8.360 nan 0.000 0.450 185 T N 0.418 114.907 114.554 -0.109 0.000 2.951 185 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 185 T C 1.702 176.388 174.700 -0.023 0.000 1.073 185 T CA 0.785 62.834 62.100 -0.084 0.000 1.134 185 T CB -0.368 68.430 68.868 -0.117 0.000 0.884 185 T HN 0.204 nan 8.240 nan 0.000 0.479 186 Y N 2.025 122.274 120.300 -0.086 0.000 2.181 186 Y HA -0.013 4.537 4.550 -0.000 0.000 0.288 186 Y C 1.858 177.928 175.900 0.282 0.000 1.146 186 Y CA 1.047 59.265 58.100 0.197 0.000 1.164 186 Y CB -0.433 38.112 38.460 0.142 0.000 0.982 186 Y HN 0.124 nan 8.280 nan 0.000 0.515 187 L N -0.670 120.533 121.223 -0.033 0.000 2.156 187 L HA 0.085 4.425 4.340 -0.000 0.000 0.208 187 L C 1.882 178.671 176.870 -0.135 0.000 1.095 187 L CA 0.563 55.210 54.840 -0.323 0.000 0.770 187 L CB -1.317 40.492 42.059 -0.418 0.000 0.914 187 L HN 0.485 nan 8.230 nan 0.000 0.439 188 G N 1.584 110.394 108.800 0.017 0.000 2.547 188 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.271 188 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.271 188 G C 0.239 175.202 174.900 0.105 0.000 1.209 188 G CA 0.284 45.449 45.100 0.108 0.000 0.959 188 G HN 0.504 nan 8.290 nan 0.000 0.563 189 D N 1.015 121.543 120.400 0.213 0.000 2.323 189 D HA 0.410 5.050 4.640 -0.000 0.000 0.239 189 D C 1.669 178.156 176.300 0.312 0.000 1.129 189 D CA 1.117 55.261 54.000 0.239 0.000 0.865 189 D CB -0.261 40.711 40.800 0.288 0.000 0.913 189 D HN 1.012 nan 8.370 nan 0.000 0.517 190 A N 0.365 123.369 122.820 0.306 0.000 2.251 190 A HA 0.083 4.403 4.320 -0.000 0.000 0.209 190 A C 2.116 179.787 177.584 0.146 0.000 1.187 190 A CA -0.195 52.028 52.037 0.310 0.000 0.823 190 A CB -0.267 18.922 19.000 0.315 0.000 0.846 190 A HN 0.080 nan 8.150 nan 0.000 0.486 191 R N 0.144 120.669 120.500 0.042 0.000 2.075 191 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 191 R C -0.848 175.499 176.300 0.079 0.000 1.126 191 R CA 1.547 57.664 56.100 0.029 0.000 0.963 191 R CB -1.280 29.032 30.300 0.019 0.000 0.858 191 R HN 0.347 nan 8.270 nan 0.000 0.435 192 P HA -0.166 nan 4.420 nan 0.000 0.216 192 P C 0.539 177.671 177.300 -0.280 0.000 1.150 192 P CA 1.387 64.345 63.100 -0.236 0.000 0.837 192 P CB -0.044 31.367 31.700 -0.481 0.000 0.786 193 Y N -1.677 118.569 120.300 -0.090 0.000 2.373 193 Y HA -0.048 4.502 4.550 -0.000 0.000 0.293 193 Y C 2.469 178.439 175.900 0.117 0.000 1.129 193 Y CA 0.805 58.868 58.100 -0.062 0.000 1.226 193 Y CB -1.010 37.371 38.460 -0.131 0.000 1.000 193 Y HN -0.114 nan 8.280 nan 0.000 0.549 194 M N -0.337 119.454 119.600 0.319 0.000 2.156 194 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 194 M C 1.274 177.692 176.300 0.197 0.000 1.067 194 M CA 1.481 56.986 55.300 0.343 0.000 1.131 194 M CB -0.250 32.602 32.600 0.420 0.000 1.368 194 M HN 0.114 nan 8.290 nan 0.000 0.416 195 D N 0.343 120.835 120.400 0.154 0.000 2.178 195 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 195 D C 2.103 178.409 176.300 0.010 0.000 0.980 195 D CA 1.053 55.087 54.000 0.058 0.000 0.842 195 D CB -0.454 40.361 40.800 0.025 0.000 0.948 195 D HN 0.128 nan 8.370 nan 0.000 0.472 196 V N 0.935 120.856 119.914 0.011 0.000 2.317 196 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 196 V C 2.332 178.498 176.094 0.120 0.000 1.065 196 V CA 1.861 64.170 62.300 0.015 0.000 1.049 196 V CB -0.412 31.450 31.823 0.064 0.000 0.651 196 V HN 0.283 nan 8.190 nan 0.000 0.450 197 M N -1.282 118.412 119.600 0.156 0.000 2.429 197 M HA 0.073 4.553 4.480 -0.000 0.000 0.265 197 M C 1.908 178.237 176.300 0.048 0.000 1.120 197 M CA 1.532 56.921 55.300 0.149 0.000 1.173 197 M CB 0.162 32.776 32.600 0.022 0.000 1.343 197 M HN 0.226 nan 8.290 nan 0.000 0.464 198 L N -0.523 120.707 121.223 0.011 0.000 2.375 198 L HA 0.060 4.400 4.340 -0.000 0.000 0.215 198 L C -0.058 176.798 176.870 -0.024 0.000 1.108 198 L CA 0.406 55.241 54.840 -0.008 0.000 0.830 198 L CB 0.019 42.078 42.059 -0.001 0.000 0.959 198 L HN 0.233 nan 8.230 nan 0.000 0.457 199 D N -0.702 119.682 120.400 -0.028 0.000 2.405 199 D HA 0.209 4.849 4.640 -0.000 0.000 0.264 199 D C 0.790 177.059 176.300 -0.051 0.000 1.240 199 D CA -0.095 53.876 54.000 -0.048 0.000 0.893 199 D CB 0.595 41.354 40.800 -0.069 0.000 1.198 199 D HN -0.099 nan 8.370 nan 0.000 0.514 200 R N 0.197 120.674 120.500 -0.038 0.000 2.316 200 R HA 0.227 4.566 4.340 -0.000 0.000 0.201 200 R C 0.383 176.652 176.300 -0.052 0.000 0.888 200 R CA 0.347 56.411 56.100 -0.060 0.000 1.041 200 R CB 0.842 31.114 30.300 -0.047 0.000 1.115 200 R HN 0.376 nan 8.270 nan 0.000 0.559 201 T N -2.272 112.266 114.554 -0.027 0.000 2.896 201 T HA 0.296 4.646 4.350 -0.000 0.000 0.297 201 T C -2.375 172.313 174.700 -0.021 0.000 1.108 201 T CA -1.862 60.225 62.100 -0.021 0.000 1.004 201 T CB 2.528 71.398 68.868 0.003 0.000 1.159 201 T HN -0.251 nan 8.240 nan 0.000 0.499 202 P HA 0.043 nan 4.420 nan 0.000 0.225 202 P C 1.267 178.558 177.300 -0.015 0.000 1.148 202 P CA 0.645 63.732 63.100 -0.021 0.000 0.779 202 P CB -0.265 31.424 31.700 -0.019 0.000 0.780 203 A N -0.509 122.308 122.820 -0.006 0.000 2.206 203 A HA 0.413 4.733 4.320 -0.000 0.000 0.211 203 A C 1.341 178.927 177.584 0.004 0.000 1.158 203 A CA 0.894 52.931 52.037 0.001 0.000 0.761 203 A CB -1.145 17.861 19.000 0.009 0.000 0.801 203 A HN 0.379 nan 8.150 nan 0.000 0.473 204 G N -1.046 107.754 108.800 -0.000 0.000 2.593 204 G HA2 0.007 3.967 3.960 -0.000 0.000 0.237 204 G HA3 0.007 3.967 3.960 -0.000 0.000 0.237 204 G C 0.195 175.112 174.900 0.028 0.000 1.312 204 G CA 0.460 45.564 45.100 0.006 0.000 0.896 204 G HN 1.718 nan 8.290 nan 0.000 0.574 205 T N -3.452 111.142 114.554 0.067 0.000 2.907 205 T HA 0.814 5.164 4.350 -0.000 0.000 0.290 205 T C -0.570 174.158 174.700 0.046 0.000 1.066 205 T CA 0.053 62.183 62.100 0.049 0.000 1.012 205 T CB 2.075 70.971 68.868 0.045 0.000 1.184 205 T HN 2.171 nan 8.240 nan 0.000 0.522 206 V N 0.051 119.874 119.914 -0.151 0.000 2.925 206 V HA 0.809 4.929 4.120 -0.000 0.000 0.311 206 V C -0.553 175.267 176.094 -0.457 0.000 1.104 206 V CA -0.759 61.372 62.300 -0.282 0.000 0.954 206 V CB 1.769 33.521 31.823 -0.118 0.000 1.022 206 V HN 1.498 nan 8.190 nan 0.000 0.427 207 A N 6.034 128.502 122.820 -0.587 0.000 2.331 207 A HA 0.687 5.007 4.320 -0.000 0.000 0.283 207 A C -0.123 177.355 177.584 -0.176 0.000 1.142 207 A CA -0.428 51.380 52.037 -0.382 0.000 0.812 207 A CB 0.182 18.804 19.000 -0.629 0.000 1.074 207 A HN 0.832 nan 8.150 nan 0.000 0.497 208 I N 2.403 122.945 120.570 -0.047 0.000 2.556 208 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 208 I C 1.491 177.633 176.117 0.041 0.000 1.114 208 I CA 0.199 61.502 61.300 0.005 0.000 1.418 208 I CB 0.652 38.680 38.000 0.047 0.000 1.394 208 I HN 0.808 nan 8.210 nan 0.000 0.552 209 G N 4.413 113.225 108.800 0.021 0.000 2.368 209 G HA2 0.378 4.338 3.960 -0.000 0.000 0.233 209 G HA3 0.378 4.338 3.960 -0.000 0.000 0.233 209 G C 0.313 175.252 174.900 0.065 0.000 1.267 209 G CA 0.419 45.540 45.100 0.036 0.000 0.873 209 G HN 1.170 nan 8.290 nan 0.000 0.539 210 G N 0.475 109.314 108.800 0.065 0.000 3.067 210 G HA2 0.217 4.177 3.960 -0.000 0.000 0.686 210 G HA3 0.217 4.177 3.960 -0.000 0.000 0.686 210 G C -0.559 174.399 174.900 0.097 0.000 1.119 210 G CA -0.017 45.118 45.100 0.058 0.000 0.790 210 G HN 1.222 nan 8.290 nan 0.000 0.605 211 M N 2.229 121.849 119.600 0.033 0.000 2.085 211 M HA 0.528 5.007 4.480 -0.000 0.000 0.309 211 M C 0.252 176.563 176.300 0.019 0.000 0.947 211 M CA -0.658 54.676 55.300 0.058 0.000 0.918 211 M CB 1.117 33.679 32.600 -0.062 0.000 1.504 211 M HN 0.638 nan 8.290 nan 0.000 0.420 212 Q N 3.861 123.752 119.800 0.152 0.000 2.332 212 Q HA 0.309 4.649 4.340 -0.000 0.000 0.263 212 Q C -1.112 174.997 176.000 0.183 0.000 0.979 212 Q CA 0.490 56.434 55.803 0.234 0.000 0.885 212 Q CB 0.986 29.990 28.738 0.443 0.000 1.218 212 Q HN 0.502 nan 8.270 nan 0.000 0.405 213 K N 2.674 123.179 120.400 0.175 0.000 2.507 213 K HA 0.511 4.831 4.320 -0.000 0.000 0.251 213 K C -1.524 175.303 176.600 0.379 0.000 0.943 213 K CA -0.580 55.725 56.287 0.031 0.000 0.794 213 K CB 1.418 33.665 32.500 -0.422 0.000 1.188 213 K HN 0.617 nan 8.250 nan 0.000 0.428 214 W N -0.063 121.329 121.300 0.154 0.000 3.042 214 W HA 0.663 5.323 4.660 -0.000 0.000 0.342 214 W C -1.698 174.954 176.519 0.222 0.000 1.240 214 W CA -1.148 56.296 57.345 0.165 0.000 1.166 214 W CB 0.530 30.080 29.460 0.149 0.000 1.469 214 W HN 0.066 nan 8.180 nan 0.000 0.579 215 V N 3.146 123.268 119.914 0.346 0.000 2.384 215 V HA 0.440 4.559 4.120 -0.000 0.000 0.287 215 V C -0.153 176.106 176.094 0.276 0.000 1.020 215 V CA -0.823 61.613 62.300 0.227 0.000 0.850 215 V CB 0.925 32.859 31.823 0.184 0.000 0.987 215 V HN 0.503 nan 8.190 nan 0.000 0.436 216 I N 7.081 127.793 120.570 0.236 0.000 2.378 216 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 216 I C -2.220 174.011 176.117 0.189 0.000 0.992 216 I CA -2.087 59.376 61.300 0.273 0.000 1.154 216 I CB 2.773 41.004 38.000 0.386 0.000 1.315 216 I HN 0.415 nan 8.210 nan 0.000 0.448 217 P HA 0.116 nan 4.420 nan 0.000 0.225 217 P C -0.620 176.749 177.300 0.114 0.000 1.813 217 P CA -0.123 63.045 63.100 0.113 0.000 1.013 217 P CB -0.351 31.404 31.700 0.091 0.000 1.961 218 C N -0.333 119.041 119.300 0.125 0.000 3.236 218 C HA 0.538 4.998 4.460 -0.000 0.000 0.312 218 C C -0.185 174.866 174.990 0.100 0.000 1.374 218 C CA -1.189 57.905 59.018 0.126 0.000 1.455 218 C CB 1.317 29.145 27.740 0.146 0.000 1.834 218 C HN 0.289 nan 8.230 nan 0.000 0.460 219 N N 1.487 120.276 118.700 0.148 0.000 2.518 219 N HA 0.090 4.830 4.740 -0.000 0.000 0.266 219 N C 1.192 176.577 175.510 -0.209 0.000 1.196 219 N CA 0.075 53.105 53.050 -0.033 0.000 0.947 219 N CB 0.745 39.124 38.487 -0.180 0.000 1.098 219 N HN 1.016 nan 8.380 nan 0.000 0.450 220 W N 4.757 125.943 121.300 -0.189 0.000 2.392 220 W HA -0.081 4.579 4.660 -0.000 0.000 0.279 220 W C 0.723 176.956 176.519 -0.477 0.000 1.225 220 W CA 0.301 57.459 57.345 -0.313 0.000 1.233 220 W CB -0.477 28.938 29.460 -0.075 0.000 1.122 220 W HN 0.508 nan 8.180 nan 0.000 0.561 221 K N 0.278 119.981 120.400 -1.161 0.000 2.211 221 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 221 K C 1.875 178.042 176.600 -0.722 0.000 1.050 221 K CA 1.431 57.026 56.287 -1.153 0.000 0.945 221 K CB -0.609 31.106 32.500 -1.308 0.000 0.732 221 K HN 0.139 nan 8.250 nan 0.000 0.451 222 F N 0.898 120.491 119.950 -0.595 0.000 2.146 222 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 222 F C 2.564 177.792 175.800 -0.954 0.000 1.096 222 F CA 0.770 58.336 58.000 -0.723 0.000 1.275 222 F CB -0.207 38.221 39.000 -0.954 0.000 1.008 222 F HN 0.036 nan 8.300 nan 0.000 0.480 223 A N 0.137 122.251 122.820 -1.177 0.000 1.872 223 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 223 A C 2.339 179.422 177.584 -0.835 0.000 1.187 223 A CA 1.390 52.536 52.037 -1.485 0.000 0.614 223 A CB -1.228 16.294 19.000 -2.462 0.000 0.826 223 A HN 0.283 nan 8.150 nan 0.000 0.442 224 A N -0.440 121.945 122.820 -0.727 0.000 1.933 224 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 224 A C 2.053 179.598 177.584 -0.066 0.000 1.175 224 A CA 1.810 53.720 52.037 -0.213 0.000 0.628 224 A CB -0.475 18.491 19.000 -0.058 0.000 0.814 224 A HN 0.651 nan 8.150 nan 0.000 0.444 225 E N -0.710 119.387 120.200 -0.172 0.000 2.107 225 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 225 E C 2.192 178.810 176.600 0.031 0.000 0.982 225 E CA 1.068 57.415 56.400 -0.088 0.000 0.809 225 E CB -0.161 29.489 29.700 -0.083 0.000 0.756 225 E HN 0.769 nan 8.360 nan 0.000 0.459 226 Q N -0.588 119.258 119.800 0.077 0.000 2.084 226 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 226 Q C 1.499 177.501 176.000 0.003 0.000 0.978 226 Q CA 1.244 57.097 55.803 0.084 0.000 0.844 226 Q CB -0.017 28.850 28.738 0.215 0.000 0.898 226 Q HN 0.256 nan 8.270 nan 0.000 0.426 227 F N -1.292 118.666 119.950 0.013 0.000 2.811 227 F HA -0.019 4.508 4.527 -0.000 0.000 0.301 227 F C 2.012 177.863 175.800 0.085 0.000 1.151 227 F CA 0.108 58.140 58.000 0.053 0.000 1.412 227 F CB -0.132 39.005 39.000 0.229 0.000 1.113 227 F HN 0.271 nan 8.300 nan 0.000 0.579 228 C N -2.096 117.313 119.300 0.181 0.000 2.535 228 C HA 0.277 4.737 4.460 -0.000 0.000 0.310 228 C C 2.025 177.125 174.990 0.182 0.000 1.344 228 C CA 0.908 60.038 59.018 0.187 0.000 1.831 228 C CB -0.388 27.415 27.740 0.106 0.000 2.284 228 C HN 0.323 nan 8.230 nan 0.000 0.523 229 S N -0.740 115.003 115.700 0.072 0.000 2.927 229 S HA 0.205 4.675 4.470 -0.000 0.000 0.246 229 S C -0.828 173.820 174.600 0.079 0.000 0.907 229 S CA -0.065 58.203 58.200 0.113 0.000 1.326 229 S CB -0.351 62.894 63.200 0.075 0.000 1.216 229 S HN 0.568 nan 8.310 nan 0.000 0.652 230 D N 1.871 122.218 120.400 -0.088 0.000 2.551 230 D HA 0.322 4.962 4.640 -0.000 0.000 0.294 230 D C 0.567 176.954 176.300 0.145 0.000 1.201 230 D CA -0.267 53.790 54.000 0.095 0.000 0.941 230 D CB 0.963 41.832 40.800 0.114 0.000 0.995 230 D HN 0.309 nan 8.370 nan 0.000 0.502 231 M N 1.575 121.338 119.600 0.272 0.000 2.476 231 M HA 0.056 4.536 4.480 -0.000 0.000 0.262 231 M C 1.282 177.871 176.300 0.481 0.000 1.111 231 M CA 0.799 56.302 55.300 0.338 0.000 1.127 231 M CB -0.301 32.442 32.600 0.238 0.000 1.376 231 M HN 0.362 nan 8.290 nan 0.000 0.465 232 Y N -0.104 120.409 120.300 0.353 0.000 2.465 232 Y HA -0.302 4.248 4.550 -0.000 0.000 0.289 232 Y C 2.334 178.283 175.900 0.081 0.000 1.150 232 Y CA 1.754 59.917 58.100 0.104 0.000 1.293 232 Y CB -0.049 38.483 38.460 0.119 0.000 0.977 232 Y HN 0.534 nan 8.280 nan 0.000 0.556 233 H N -2.176 116.940 119.070 0.076 0.000 2.553 233 H HA 0.221 4.777 4.556 -0.000 0.000 0.276 233 H C 1.896 177.306 175.328 0.138 0.000 0.979 233 H CA 0.935 56.994 56.048 0.020 0.000 1.268 233 H CB -0.334 29.475 29.762 0.078 0.000 1.450 233 H HN 0.290 nan 8.280 nan 0.000 0.527 234 A N 0.967 123.522 122.820 -0.442 0.000 2.072 234 A HA 0.178 4.498 4.320 -0.000 0.000 0.216 234 A C 2.396 180.036 177.584 0.094 0.000 1.156 234 A CA 0.808 52.731 52.037 -0.191 0.000 0.701 234 A CB -0.650 18.261 19.000 -0.149 0.000 0.816 234 A HN 0.551 nan 8.150 nan 0.000 0.458 235 G N -1.194 107.681 108.800 0.125 0.000 3.233 235 G HA2 0.293 4.253 3.960 -0.000 0.000 0.234 235 G HA3 0.293 4.253 3.960 -0.000 0.000 0.234 235 G C 0.980 175.833 174.900 -0.078 0.000 1.137 235 G CA 1.201 46.387 45.100 0.143 0.000 0.763 235 G HN 0.574 nan 8.290 nan 0.000 0.549 236 T N -2.824 111.638 114.554 -0.153 0.000 3.257 236 T HA 0.155 4.505 4.350 -0.000 0.000 0.176 236 T C 2.049 176.667 174.700 -0.137 0.000 0.892 236 T CA 1.495 63.468 62.100 -0.211 0.000 1.147 236 T CB 0.219 68.836 68.868 -0.418 0.000 1.840 236 T HN 0.056 nan 8.240 nan 0.000 0.375 237 T N -1.066 113.399 114.554 -0.147 0.000 3.019 237 T HA 0.164 4.514 4.350 -0.000 0.000 0.247 237 T C 2.074 176.693 174.700 -0.135 0.000 0.992 237 T CA 0.851 62.877 62.100 -0.124 0.000 1.036 237 T CB -0.906 67.885 68.868 -0.128 0.000 1.063 237 T HN 0.354 nan 8.240 nan 0.000 0.476 238 T N 1.770 116.238 114.554 -0.143 0.000 2.685 238 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 238 T C 1.067 175.489 174.700 -0.463 0.000 1.034 238 T CA 1.531 63.474 62.100 -0.263 0.000 1.149 238 T CB -0.398 68.382 68.868 -0.147 0.000 0.860 238 T HN 0.546 nan 8.240 nan 0.000 0.449 239 H N -0.144 118.869 119.070 -0.095 0.000 2.512 239 H HA 0.378 4.934 4.556 -0.000 0.000 0.276 239 H C 1.540 176.733 175.328 -0.226 0.000 1.126 239 H CA -0.223 55.712 56.048 -0.189 0.000 1.060 239 H CB 0.044 29.761 29.762 -0.076 0.000 1.646 239 H HN 0.274 nan 8.280 nan 0.000 0.571 240 L N 0.767 121.933 121.223 -0.095 0.000 2.043 240 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 240 L C 2.529 179.321 176.870 -0.129 0.000 1.075 240 L CA 1.911 56.697 54.840 -0.089 0.000 0.752 240 L CB -0.334 41.675 42.059 -0.082 0.000 0.891 240 L HN 0.276 nan 8.230 nan 0.000 0.432 241 S N -0.636 114.963 115.700 -0.168 0.000 2.428 241 S HA -0.057 4.413 4.470 -0.000 0.000 0.230 241 S C 2.030 176.473 174.600 -0.262 0.000 1.014 241 S CA 0.685 58.778 58.200 -0.178 0.000 0.957 241 S CB -0.720 62.383 63.200 -0.162 0.000 0.784 241 S HN 0.432 nan 8.310 nan 0.000 0.499 242 G N 2.136 110.666 108.800 -0.449 0.000 2.402 242 G HA2 0.004 3.964 3.960 -0.000 0.000 0.216 242 G HA3 0.004 3.964 3.960 -0.000 0.000 0.216 242 G C 1.381 175.867 174.900 -0.690 0.000 1.162 242 G CA 0.840 45.396 45.100 -0.907 0.000 0.777 242 G HN 0.569 nan 8.290 nan 0.000 0.539 243 I N 0.090 120.431 120.570 -0.382 0.000 2.315 243 I HA -0.055 4.115 4.170 -0.000 0.000 0.248 243 I C 2.501 178.601 176.117 -0.027 0.000 1.117 243 I CA 0.317 61.609 61.300 -0.013 0.000 1.404 243 I CB -0.197 37.846 38.000 0.071 0.000 1.071 243 I HN 0.117 nan 8.210 nan 0.000 0.419 244 L N 1.307 122.483 121.223 -0.077 0.000 2.127 244 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 244 L C 2.449 179.291 176.870 -0.047 0.000 1.089 244 L CA 1.995 56.801 54.840 -0.056 0.000 0.757 244 L CB -0.544 41.472 42.059 -0.071 0.000 0.899 244 L HN 0.213 nan 8.230 nan 0.000 0.434 245 A N -1.336 121.443 122.820 -0.068 0.000 2.067 245 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 245 A C 2.209 179.797 177.584 0.006 0.000 1.156 245 A CA 1.023 53.035 52.037 -0.042 0.000 0.683 245 A CB -0.932 18.026 19.000 -0.069 0.000 0.808 245 A HN 0.495 nan 8.150 nan 0.000 0.455 246 G N 0.134 108.956 108.800 0.037 0.000 2.545 246 G HA2 0.256 4.216 3.960 -0.000 0.000 0.212 246 G HA3 0.256 4.216 3.960 -0.000 0.000 0.212 246 G C 0.844 175.776 174.900 0.053 0.000 1.144 246 G CA 0.428 45.575 45.100 0.079 0.000 0.813 246 G HN 0.623 nan 8.290 nan 0.000 0.531 247 I N -0.110 120.482 120.570 0.036 0.000 2.779 247 I HA 0.375 4.545 4.170 -0.000 0.000 0.285 247 I C -2.411 173.716 176.117 0.017 0.000 1.134 247 I CA -2.029 59.286 61.300 0.025 0.000 1.398 247 I CB 0.436 38.447 38.000 0.017 0.000 1.404 247 I HN -0.191 nan 8.210 nan 0.000 0.587 248 P HA 0.165 nan 4.420 nan 0.000 0.266 248 P C -2.122 175.182 177.300 0.005 0.000 1.195 248 P CA -0.955 62.152 63.100 0.011 0.000 0.768 248 P CB -0.051 31.656 31.700 0.011 0.000 0.838 249 P HA -0.210 nan 4.420 nan 0.000 0.217 249 P C 0.669 177.967 177.300 -0.003 0.000 1.151 249 P CA 1.515 64.613 63.100 -0.002 0.000 0.849 249 P CB -0.093 31.606 31.700 -0.003 0.000 0.787 250 E N -1.719 118.481 120.200 -0.000 0.000 2.515 250 E HA 0.030 4.380 4.350 -0.000 0.000 0.201 250 E C 0.875 177.475 176.600 -0.001 0.000 1.071 250 E CA 0.451 56.851 56.400 -0.001 0.000 0.880 250 E CB -0.497 29.204 29.700 0.001 0.000 0.828 250 E HN 0.304 nan 8.360 nan 0.000 0.540 251 M N 1.263 120.863 119.600 -0.001 0.000 2.446 251 M HA 0.236 4.716 4.480 -0.000 0.000 0.294 251 M C -2.006 174.292 176.300 -0.003 0.000 1.158 251 M CA -0.804 54.496 55.300 -0.000 0.000 0.899 251 M CB 1.905 34.507 32.600 0.003 0.000 1.687 251 M HN -0.076 nan 8.290 nan 0.000 0.455 252 D N 3.107 123.504 120.400 -0.005 0.000 2.566 252 D HA 0.278 4.918 4.640 -0.000 0.000 0.254 252 D C 0.564 176.859 176.300 -0.008 0.000 1.090 252 D CA -0.679 53.315 54.000 -0.009 0.000 1.034 252 D CB 0.872 41.664 40.800 -0.012 0.000 1.434 252 D HN 0.695 nan 8.370 nan 0.000 0.509 253 L N 0.299 121.515 121.223 -0.013 0.000 2.197 253 L HA -0.281 4.059 4.340 -0.000 0.000 0.215 253 L C 2.407 179.272 176.870 -0.008 0.000 1.095 253 L CA 1.999 56.832 54.840 -0.012 0.000 0.764 253 L CB -0.701 41.346 42.059 -0.020 0.000 0.897 253 L HN 0.501 nan 8.230 nan 0.000 0.436 254 S N -0.395 115.300 115.700 -0.008 0.000 2.353 254 S HA -0.298 4.172 4.470 -0.000 0.000 0.222 254 S C 1.834 176.434 174.600 -0.002 0.000 1.035 254 S CA 1.317 59.514 58.200 -0.005 0.000 1.025 254 S CB -0.497 62.700 63.200 -0.005 0.000 0.902 254 S HN 0.399 nan 8.310 nan 0.000 0.440 255 Q N 1.811 121.610 119.800 -0.001 0.000 2.369 255 Q HA 0.392 4.732 4.340 -0.000 0.000 0.206 255 Q C 0.904 176.905 176.000 0.002 0.000 0.963 255 Q CA 0.841 56.645 55.803 0.002 0.000 0.894 255 Q CB -0.490 28.249 28.738 0.002 0.000 0.965 255 Q HN 0.717 nan 8.270 nan 0.000 0.475 256 A N 1.199 124.020 122.820 0.002 0.000 2.475 256 A HA 0.116 4.436 4.320 -0.000 0.000 0.293 256 A C -0.211 177.373 177.584 -0.001 0.000 1.252 256 A CA -0.271 51.768 52.037 0.003 0.000 0.920 256 A CB -0.188 18.817 19.000 0.007 0.000 1.125 256 A HN 0.135 nan 8.150 nan 0.000 0.528 257 Q N 1.628 121.424 119.800 -0.006 0.000 2.330 257 Q HA 0.294 4.634 4.340 -0.000 0.000 0.279 257 Q C -0.611 175.372 176.000 -0.028 0.000 1.024 257 Q CA 0.740 56.536 55.803 -0.012 0.000 0.900 257 Q CB 0.216 28.945 28.738 -0.014 0.000 1.221 257 Q HN 0.662 nan 8.270 nan 0.000 0.396 258 I N 7.269 127.829 120.570 -0.017 0.000 2.287 258 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 258 I C -1.944 174.142 176.117 -0.052 0.000 1.069 258 I CA -2.131 59.157 61.300 -0.020 0.000 1.237 258 I CB 0.799 38.815 38.000 0.027 0.000 1.418 258 I HN 0.526 nan 8.210 nan 0.000 0.481 259 P HA -0.013 nan 4.420 nan 0.000 0.265 259 P C 0.799 178.056 177.300 -0.072 0.000 1.187 259 P CA 0.220 63.128 63.100 -0.321 0.000 0.766 259 P CB 0.583 31.691 31.700 -0.988 0.000 0.820 260 T N -0.982 113.593 114.554 0.034 0.000 2.978 260 T HA 0.215 4.565 4.350 -0.000 0.000 0.248 260 T C 0.469 175.210 174.700 0.067 0.000 1.018 260 T CA 0.096 62.309 62.100 0.188 0.000 1.026 260 T CB 0.184 69.176 68.868 0.205 0.000 1.032 260 T HN 0.141 nan 8.240 nan 0.000 0.485 261 K N 0.753 121.159 120.400 0.009 0.000 2.123 261 K HA 0.709 5.029 4.320 -0.000 0.000 0.259 261 K C 0.051 176.601 176.600 -0.082 0.000 0.960 261 K CA -0.212 56.040 56.287 -0.059 0.000 0.872 261 K CB 1.759 34.284 32.500 0.041 0.000 1.079 261 K HN 0.453 nan 8.250 nan 0.000 0.440 262 G N 1.146 109.793 108.800 -0.255 0.000 2.327 262 G HA2 0.109 4.069 3.960 -0.000 0.000 0.291 262 G HA3 0.109 4.069 3.960 -0.000 0.000 0.291 262 G C -1.781 172.785 174.900 -0.557 0.000 1.290 262 G CA -0.770 44.148 45.100 -0.303 0.000 0.857 262 G HN 0.489 nan 8.290 nan 0.000 0.520 263 N N -0.386 117.749 118.700 -0.941 0.000 2.571 263 N HA 0.626 5.366 4.740 -0.000 0.000 0.273 263 N C -1.239 173.444 175.510 -1.377 0.000 1.340 263 N CA -0.533 51.904 53.050 -1.021 0.000 0.789 263 N CB 2.334 40.358 38.487 -0.772 0.000 1.514 263 N HN 0.731 nan 8.380 nan 0.000 0.499 264 Q N 0.768 120.032 119.800 -0.893 0.000 2.305 264 Q HA 0.419 4.758 4.340 -0.000 0.000 0.271 264 Q C -1.826 173.959 176.000 -0.358 0.000 1.046 264 Q CA -0.606 54.799 55.803 -0.664 0.000 0.798 264 Q CB 1.837 30.368 28.738 -0.346 0.000 1.286 264 Q HN 0.522 nan 8.270 nan 0.000 0.435 265 F N 3.562 123.267 119.950 -0.409 0.000 2.436 265 F HA 0.563 5.090 4.527 -0.000 0.000 0.340 265 F C -1.071 174.658 175.800 -0.118 0.000 1.113 265 F CA -0.719 57.161 58.000 -0.201 0.000 1.022 265 F CB 1.210 40.046 39.000 -0.273 0.000 1.128 265 F HN 0.535 nan 8.300 nan 0.000 0.466 266 R N 5.439 125.433 120.500 -0.843 0.000 2.360 266 R HA 0.729 5.069 4.340 -0.000 0.000 0.318 266 R C -0.982 174.647 176.300 -1.119 0.000 0.950 266 R CA -0.757 54.861 56.100 -0.804 0.000 0.837 266 R CB 1.131 31.212 30.300 -0.367 0.000 1.165 266 R HN 0.895 nan 8.270 nan 0.000 0.458 267 A N 3.387 125.605 122.820 -1.004 0.000 2.498 267 A HA 0.307 4.627 4.320 -0.000 0.000 0.239 267 A C 1.310 178.805 177.584 -0.148 0.000 1.068 267 A CA 0.497 52.282 52.037 -0.421 0.000 0.766 267 A CB 0.514 19.559 19.000 0.075 0.000 1.003 267 A HN 1.036 nan 8.150 nan 0.000 0.497 268 A N 1.833 124.685 122.820 0.052 0.000 1.948 268 A HA 0.017 4.337 4.320 -0.000 0.000 0.220 268 A C 0.624 178.305 177.584 0.162 0.000 1.177 268 A CA 1.721 53.819 52.037 0.101 0.000 0.636 268 A CB -0.265 18.833 19.000 0.162 0.000 0.815 268 A HN 1.261 nan 8.150 nan 0.000 0.449 269 W N -3.029 118.245 121.300 -0.044 0.000 3.256 269 W HA 0.447 5.107 4.660 -0.000 0.000 0.324 269 W C 0.407 176.765 176.519 -0.268 0.000 1.196 269 W CA 0.128 57.405 57.345 -0.114 0.000 1.206 269 W CB 1.161 30.596 29.460 -0.041 0.000 1.385 269 W HN 0.820 nan 8.180 nan 0.000 0.522 270 G N 2.404 110.187 108.800 -1.695 0.000 2.138 270 G HA2 0.188 4.148 3.960 -0.000 0.000 0.193 270 G HA3 0.188 4.148 3.960 -0.000 0.000 0.193 270 G C 0.904 174.487 174.900 -2.194 0.000 0.998 270 G CA 0.413 43.967 45.100 -2.578 0.000 0.668 270 G HN 2.176 nan 8.290 nan 0.000 0.516 271 G N -0.252 107.732 108.800 -1.360 0.000 2.233 271 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.270 271 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.270 271 G C 0.329 174.929 174.900 -0.500 0.000 1.011 271 G CA 1.000 45.621 45.100 -0.799 0.000 0.762 271 G HN 1.371 nan 8.290 nan 0.000 0.511 272 H N 0.035 118.982 119.070 -0.206 0.000 2.511 272 H HA 0.612 5.168 4.556 -0.000 0.000 0.346 272 H C 0.708 175.993 175.328 -0.071 0.000 1.128 272 H CA 0.416 56.447 56.048 -0.029 0.000 1.342 272 H CB 1.669 31.461 29.762 0.051 0.000 1.470 272 H HN 0.557 nan 8.280 nan 0.000 0.546 273 G N -0.258 108.636 108.800 0.157 0.000 2.718 273 G HA2 0.421 4.381 3.960 -0.000 0.000 0.295 273 G HA3 0.421 4.381 3.960 -0.000 0.000 0.295 273 G C -1.274 173.753 174.900 0.212 0.000 1.421 273 G CA -0.502 44.652 45.100 0.089 0.000 0.902 273 G HN 0.602 nan 8.290 nan 0.000 0.501 274 S N -1.160 114.658 115.700 0.196 0.000 2.550 274 S HA 0.887 5.357 4.470 -0.000 0.000 0.270 274 S C -0.386 174.134 174.600 -0.133 0.000 1.145 274 S CA 0.121 58.391 58.200 0.117 0.000 0.852 274 S CB 1.780 65.032 63.200 0.086 0.000 1.119 274 S HN 1.860 nan 8.310 nan 0.000 0.465 275 G N 1.625 110.123 108.800 -0.504 0.000 2.706 275 G HA2 0.737 4.697 3.960 -0.000 0.000 0.297 275 G HA3 0.737 4.697 3.960 -0.000 0.000 0.297 275 G C -1.803 172.691 174.900 -0.677 0.000 1.403 275 G CA -0.554 44.021 45.100 -0.876 0.000 0.954 275 G HN 1.031 nan 8.290 nan 0.000 0.500 276 W N 0.411 121.357 121.300 -0.589 0.000 3.248 276 W HA 0.704 5.364 4.660 -0.000 0.000 0.311 276 W C -1.902 174.362 176.519 -0.425 0.000 1.258 276 W CA -2.046 55.016 57.345 -0.471 0.000 1.191 276 W CB 0.729 29.998 29.460 -0.317 0.000 1.389 276 W HN 0.553 nan 8.180 nan 0.000 0.561 277 Y N 1.306 121.660 120.300 0.089 0.000 2.320 277 Y HA 0.570 5.120 4.550 -0.000 0.000 0.324 277 Y C 0.372 176.404 175.900 0.221 0.000 1.190 277 Y CA -1.266 56.866 58.100 0.054 0.000 1.215 277 Y CB 1.547 40.032 38.460 0.043 0.000 1.221 277 Y HN 0.216 nan 8.280 nan 0.000 0.486 278 V N 2.515 122.647 119.914 0.363 0.000 2.448 278 V HA 0.209 4.329 4.120 -0.000 0.000 0.295 278 V C -0.035 176.195 176.094 0.226 0.000 1.025 278 V CA -0.812 61.689 62.300 0.335 0.000 0.859 278 V CB 1.314 33.371 31.823 0.389 0.000 0.988 278 V HN 1.001 nan 8.190 nan 0.000 0.431 279 D N 1.509 122.028 120.400 0.197 0.000 3.177 279 D HA -0.221 4.419 4.640 -0.000 0.000 0.179 279 D C 0.861 177.225 176.300 0.107 0.000 1.613 279 D CA 2.221 56.303 54.000 0.136 0.000 2.105 279 D CB -0.228 40.640 40.800 0.113 0.000 1.351 279 D HN 0.852 nan 8.370 nan 0.000 0.417 280 E N 2.761 123.017 120.200 0.093 0.000 2.081 280 E HA 0.192 4.542 4.350 -0.000 0.000 0.270 280 E C -2.069 174.552 176.600 0.036 0.000 1.180 280 E CA -1.074 55.348 56.400 0.036 0.000 0.926 280 E CB 0.877 30.564 29.700 -0.023 0.000 1.035 280 E HN 0.116 nan 8.360 nan 0.000 0.418 281 P HA 0.192 nan 4.420 nan 0.000 0.236 281 P C 0.696 178.011 177.300 0.026 0.000 1.749 281 P CA -0.137 62.999 63.100 0.061 0.000 0.994 281 P CB 0.709 32.453 31.700 0.073 0.000 1.599 282 G N 0.864 109.652 108.800 -0.021 0.000 2.509 282 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 282 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 282 G C 1.352 176.252 174.900 -0.000 0.000 1.124 282 G CA 0.957 46.038 45.100 -0.030 0.000 0.776 282 G HN 0.469 nan 8.290 nan 0.000 0.547 283 S N -0.508 115.208 115.700 0.026 0.000 2.641 283 S HA 0.134 4.604 4.470 -0.000 0.000 0.239 283 S C 2.054 176.691 174.600 0.061 0.000 1.081 283 S CA 0.456 58.707 58.200 0.085 0.000 0.904 283 S CB -0.319 62.980 63.200 0.166 0.000 0.803 283 S HN 0.117 nan 8.310 nan 0.000 0.510 284 L N 1.611 122.867 121.223 0.054 0.000 2.042 284 L HA 0.129 4.469 4.340 -0.000 0.000 0.210 284 L C 2.241 179.091 176.870 -0.032 0.000 1.076 284 L CA 1.607 56.450 54.840 0.004 0.000 0.749 284 L CB -0.912 41.162 42.059 0.025 0.000 0.893 284 L HN 0.420 nan 8.230 nan 0.000 0.432 285 L N -0.761 120.458 121.223 -0.007 0.000 2.093 285 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 285 L C 2.453 179.305 176.870 -0.031 0.000 1.085 285 L CA 1.746 56.571 54.840 -0.024 0.000 0.755 285 L CB -0.619 41.442 42.059 0.003 0.000 0.904 285 L HN 0.326 nan 8.230 nan 0.000 0.435 286 A N -1.579 121.246 122.820 0.009 0.000 1.929 286 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 286 A C 2.150 179.766 177.584 0.054 0.000 1.176 286 A CA 1.625 53.689 52.037 0.045 0.000 0.628 286 A CB -0.708 18.346 19.000 0.089 0.000 0.816 286 A HN 0.247 nan 8.150 nan 0.000 0.444 287 V N -0.781 119.141 119.914 0.014 0.000 2.346 287 V HA -0.114 4.006 4.120 -0.000 0.000 0.244 287 V C 2.218 178.234 176.094 -0.130 0.000 1.037 287 V CA 1.606 63.871 62.300 -0.058 0.000 1.029 287 V CB -0.466 31.235 31.823 -0.204 0.000 0.663 287 V HN 0.470 nan 8.190 nan 0.000 0.454 288 M N -0.641 118.824 119.600 -0.226 0.000 2.333 288 M HA 0.385 4.864 4.480 -0.000 0.000 0.257 288 M C 0.932 176.784 176.300 -0.747 0.000 1.078 288 M CA 0.812 55.831 55.300 -0.470 0.000 1.005 288 M CB -0.043 32.355 32.600 -0.336 0.000 1.444 288 M HN 0.527 nan 8.290 nan 0.000 0.496 289 G N 1.741 110.286 108.800 -0.425 0.000 2.746 289 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.685 289 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.685 289 G C -2.319 172.489 174.900 -0.153 0.000 1.350 289 G CA -0.573 44.359 45.100 -0.281 0.000 0.837 289 G HN 0.098 nan 8.290 nan 0.000 0.564 290 P HA -0.035 nan 4.420 nan 0.000 0.217 290 P C 1.556 178.848 177.300 -0.014 0.000 1.151 290 P CA 1.477 64.562 63.100 -0.024 0.000 0.828 290 P CB 0.055 31.755 31.700 -0.000 0.000 0.788 291 K N -0.254 120.131 120.400 -0.025 0.000 2.097 291 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 291 K C 2.130 178.729 176.600 -0.002 0.000 1.050 291 K CA 1.054 57.340 56.287 -0.003 0.000 0.938 291 K CB -0.630 31.868 32.500 -0.003 0.000 0.718 291 K HN -0.019 nan 8.250 nan 0.000 0.442 292 V N 1.239 121.097 119.914 -0.092 0.000 2.358 292 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 292 V C 2.083 178.224 176.094 0.079 0.000 1.047 292 V CA 1.996 64.230 62.300 -0.110 0.000 1.035 292 V CB -0.560 31.040 31.823 -0.371 0.000 0.658 292 V HN 0.389 nan 8.190 nan 0.000 0.452 293 T N -0.693 113.892 114.554 0.051 0.000 2.720 293 T HA -0.303 4.047 4.350 -0.000 0.000 0.268 293 T C 1.932 176.747 174.700 0.191 0.000 1.037 293 T CA 1.891 64.076 62.100 0.141 0.000 1.144 293 T CB -0.256 68.660 68.868 0.081 0.000 0.864 293 T HN 0.387 nan 8.240 nan 0.000 0.444 294 Q N -0.047 119.838 119.800 0.140 0.000 2.124 294 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 294 Q C 1.858 177.961 176.000 0.171 0.000 0.977 294 Q CA 1.479 57.358 55.803 0.128 0.000 0.850 294 Q CB -0.487 28.309 28.738 0.097 0.000 0.901 294 Q HN 0.740 nan 8.270 nan 0.000 0.429 295 Y N -1.255 119.108 120.300 0.105 0.000 2.220 295 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 295 Y C 1.933 177.948 175.900 0.191 0.000 1.129 295 Y CA 1.688 59.868 58.100 0.133 0.000 1.161 295 Y CB -0.314 38.236 38.460 0.150 0.000 0.997 295 Y HN 0.345 nan 8.280 nan 0.000 0.522 296 W N 0.813 122.213 121.300 0.167 0.000 2.418 296 W HA -0.145 4.515 4.660 -0.000 0.000 0.292 296 W C 1.704 178.227 176.519 0.005 0.000 1.213 296 W CA 2.267 59.673 57.345 0.102 0.000 1.283 296 W CB -0.129 29.426 29.460 0.158 0.000 1.119 296 W HN 0.296 nan 8.180 nan 0.000 0.542 297 T N -2.780 111.835 114.554 0.103 0.000 3.015 297 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 297 T C 0.390 175.059 174.700 -0.050 0.000 1.057 297 T CA 0.192 62.290 62.100 -0.002 0.000 1.066 297 T CB 0.552 69.485 68.868 0.108 0.000 0.959 297 T HN -0.182 nan 8.240 nan 0.000 0.488 298 E N 0.252 120.430 120.200 -0.038 0.000 2.416 298 E HA 0.612 4.962 4.350 -0.000 0.000 0.273 298 E C 0.118 176.671 176.600 -0.079 0.000 0.935 298 E CA -0.220 56.151 56.400 -0.049 0.000 0.784 298 E CB 1.966 31.662 29.700 -0.008 0.000 1.301 298 E HN 0.494 nan 8.360 nan 0.000 0.454 299 G N 1.066 109.822 108.800 -0.074 0.000 2.655 299 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.680 299 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.680 299 G C -2.345 172.492 174.900 -0.106 0.000 1.302 299 G CA -0.475 44.581 45.100 -0.074 0.000 0.872 299 G HN 0.384 nan 8.290 nan 0.000 0.540 300 P HA 0.039 nan 4.420 nan 0.000 0.217 300 P C 2.160 179.385 177.300 -0.127 0.000 1.150 300 P CA 2.864 65.914 63.100 -0.084 0.000 0.832 300 P CB -0.025 31.647 31.700 -0.046 0.000 0.787 301 A N 0.165 122.870 122.820 -0.191 0.000 1.873 301 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 301 A C 2.320 179.704 177.584 -0.333 0.000 1.186 301 A CA 1.887 53.752 52.037 -0.286 0.000 0.616 301 A CB -1.555 17.120 19.000 -0.541 0.000 0.823 301 A HN 0.186 nan 8.150 nan 0.000 0.442 302 A N -0.590 122.009 122.820 -0.367 0.000 2.067 302 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 302 A C 1.889 179.322 177.584 -0.251 0.000 1.158 302 A CA 1.443 53.275 52.037 -0.341 0.000 0.661 302 A CB -0.389 18.427 19.000 -0.306 0.000 0.801 302 A HN 0.638 nan 8.150 nan 0.000 0.452 303 E N -0.748 119.338 120.200 -0.190 0.000 2.028 303 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 303 E C 1.828 178.343 176.600 -0.140 0.000 0.988 303 E CA 1.147 57.460 56.400 -0.145 0.000 0.799 303 E CB -0.217 29.418 29.700 -0.107 0.000 0.755 303 E HN 0.465 nan 8.360 nan 0.000 0.447 304 L N 0.827 121.970 121.223 -0.134 0.000 2.261 304 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 304 L C 1.977 178.768 176.870 -0.132 0.000 1.114 304 L CA 1.611 56.383 54.840 -0.113 0.000 0.777 304 L CB -0.500 41.504 42.059 -0.092 0.000 0.910 304 L HN 0.041 nan 8.230 nan 0.000 0.440 305 A N -0.978 121.735 122.820 -0.179 0.000 1.855 305 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 305 A C 2.321 179.784 177.584 -0.201 0.000 1.191 305 A CA 1.530 53.441 52.037 -0.209 0.000 0.613 305 A CB -0.591 18.223 19.000 -0.310 0.000 0.829 305 A HN 0.519 nan 8.150 nan 0.000 0.442 306 E N -0.863 119.216 120.200 -0.201 0.000 2.347 306 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 306 E C 2.092 178.604 176.600 -0.147 0.000 1.008 306 E CA 0.810 57.101 56.400 -0.182 0.000 0.852 306 E CB -0.020 29.577 29.700 -0.171 0.000 0.783 306 E HN 0.773 nan 8.360 nan 0.000 0.505 307 Q N 0.126 119.850 119.800 -0.127 0.000 2.089 307 Q HA -0.084 4.256 4.340 -0.000 0.000 0.195 307 Q C 2.083 178.029 176.000 -0.090 0.000 0.963 307 Q CA 0.684 56.428 55.803 -0.098 0.000 0.834 307 Q CB 0.180 28.868 28.738 -0.082 0.000 0.906 307 Q HN 0.117 nan 8.270 nan 0.000 0.452 308 R N -0.075 120.369 120.500 -0.093 0.000 2.075 308 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 308 R C 0.652 176.897 176.300 -0.093 0.000 1.126 308 R CA 0.617 56.673 56.100 -0.074 0.000 0.963 308 R CB -0.081 30.176 30.300 -0.070 0.000 0.858 308 R HN 0.202 nan 8.270 nan 0.000 0.435 309 L N 1.020 122.151 121.223 -0.154 0.000 2.391 309 L HA 0.116 4.455 4.340 -0.000 0.000 0.249 309 L C 1.218 177.925 176.870 -0.271 0.000 1.308 309 L CA -0.371 54.320 54.840 -0.249 0.000 1.209 309 L CB 1.032 42.944 42.059 -0.246 0.000 1.401 309 L HN 0.237 nan 8.230 nan 0.000 0.416 310 G N -0.364 108.292 108.800 -0.241 0.000 2.645 310 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.207 310 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.207 310 G C 1.472 176.274 174.900 -0.162 0.000 1.145 310 G CA 0.155 45.161 45.100 -0.156 0.000 0.831 310 G HN 0.707 nan 8.290 nan 0.000 0.563 311 H N 1.230 120.258 119.070 -0.070 0.000 2.489 311 H HA -0.098 4.458 4.556 -0.000 0.000 0.293 311 H C 2.231 177.517 175.328 -0.071 0.000 1.066 311 H CA 1.816 57.828 56.048 -0.062 0.000 1.305 311 H CB -1.033 28.698 29.762 -0.051 0.000 1.386 311 H HN 0.417 nan 8.280 nan 0.000 0.551 312 T N -2.259 111.999 114.554 -0.493 0.000 2.867 312 T HA 0.091 4.441 4.350 -0.000 0.000 0.268 312 T C 1.912 176.492 174.700 -0.200 0.000 1.057 312 T CA 1.270 63.174 62.100 -0.327 0.000 1.136 312 T CB -0.830 67.776 68.868 -0.436 0.000 0.874 312 T HN 0.669 nan 8.240 nan 0.000 0.466 313 G N 1.596 110.279 108.800 -0.196 0.000 2.160 313 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.251 313 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.251 313 G C -0.037 174.733 174.900 -0.216 0.000 1.008 313 G CA 0.306 45.308 45.100 -0.164 0.000 0.724 313 G HN 0.601 nan 8.290 nan 0.000 0.514 314 M N 0.742 120.198 119.600 -0.240 0.000 2.264 314 M HA 0.368 4.848 4.480 -0.000 0.000 0.352 314 M C -2.133 174.039 176.300 -0.214 0.000 1.173 314 M CA -1.837 53.308 55.300 -0.258 0.000 1.075 314 M CB 1.498 33.975 32.600 -0.204 0.000 1.621 314 M HN -0.055 nan 8.290 nan 0.000 0.457 315 P HA 0.110 nan 4.420 nan 0.000 0.234 315 P C 0.784 178.030 177.300 -0.089 0.000 1.799 315 P CA -0.346 62.675 63.100 -0.132 0.000 1.118 315 P CB -0.238 31.398 31.700 -0.107 0.000 1.827 316 V N 1.327 121.148 119.914 -0.156 0.000 2.759 316 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 316 V C 1.811 177.732 176.094 -0.289 0.000 1.080 316 V CA 1.089 63.260 62.300 -0.216 0.000 1.101 316 V CB -1.101 30.543 31.823 -0.298 0.000 0.698 316 V HN 0.203 nan 8.190 nan 0.000 0.477 317 R N -0.004 120.359 120.500 -0.229 0.000 2.276 317 R HA 0.177 4.517 4.340 -0.000 0.000 0.203 317 R C 2.255 178.518 176.300 -0.063 0.000 1.017 317 R CA 0.663 56.640 56.100 -0.205 0.000 1.010 317 R CB -0.107 30.096 30.300 -0.163 0.000 0.900 317 R HN 0.514 nan 8.270 nan 0.000 0.469 318 R N -0.284 120.211 120.500 -0.008 0.000 2.290 318 R HA 0.208 4.548 4.340 -0.000 0.000 0.197 318 R C 0.262 176.657 176.300 0.159 0.000 0.913 318 R CA 0.043 56.194 56.100 0.085 0.000 1.040 318 R CB 0.331 30.689 30.300 0.096 0.000 0.992 318 R HN 0.053 nan 8.270 nan 0.000 0.500 319 M N 2.090 121.772 119.600 0.137 0.000 2.194 319 M HA 0.093 4.573 4.480 -0.000 0.000 0.347 319 M C -0.355 176.177 176.300 0.387 0.000 1.439 319 M CA 0.047 55.458 55.300 0.185 0.000 1.131 319 M CB 1.132 33.784 32.600 0.087 0.000 1.733 319 M HN -0.165 nan 8.290 nan 0.000 0.467 320 V N 0.899 121.006 119.914 0.322 0.000 2.380 320 V HA 0.849 4.969 4.120 -0.000 0.000 0.272 320 V C 0.132 176.371 176.094 0.241 0.000 1.011 320 V CA -0.521 61.958 62.300 0.298 0.000 0.826 320 V CB 0.572 32.548 31.823 0.255 0.000 1.040 320 V HN 1.113 nan 8.190 nan 0.000 0.441 321 G N 2.621 111.502 108.800 0.134 0.000 2.929 321 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.335 321 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.335 321 G C -0.777 174.158 174.900 0.059 0.000 1.054 321 G CA 0.083 45.230 45.100 0.077 0.000 1.067 321 G HN 1.148 nan 8.290 nan 0.000 0.472 322 Q N 0.651 120.476 119.800 0.043 0.000 2.342 322 Q HA 0.644 4.984 4.340 -0.000 0.000 0.267 322 Q C -0.169 175.864 176.000 0.054 0.000 1.038 322 Q CA -1.028 54.806 55.803 0.051 0.000 0.832 322 Q CB 1.393 30.214 28.738 0.138 0.000 1.323 322 Q HN 0.970 nan 8.270 nan 0.000 0.448 323 H N 1.863 120.978 119.070 0.076 0.000 2.538 323 H HA 0.728 5.284 4.556 -0.000 0.000 0.353 323 H C -1.223 174.167 175.328 0.103 0.000 1.109 323 H CA -0.907 55.176 56.048 0.058 0.000 1.192 323 H CB 1.462 31.188 29.762 -0.060 0.000 1.555 323 H HN 0.559 nan 8.280 nan 0.000 0.518 324 M N 2.445 122.192 119.600 0.246 0.000 2.365 324 M HA 0.423 4.903 4.480 -0.000 0.000 0.287 324 M C -1.678 174.570 176.300 -0.087 0.000 1.154 324 M CA -0.324 55.012 55.300 0.060 0.000 0.941 324 M CB 2.540 35.102 32.600 -0.062 0.000 1.704 324 M HN 0.881 nan 8.290 nan 0.000 0.479 325 T N 4.672 119.261 114.554 0.057 0.000 2.824 325 T HA 0.542 4.892 4.350 -0.000 0.000 0.282 325 T C -0.649 174.164 174.700 0.189 0.000 0.993 325 T CA -0.527 61.633 62.100 0.100 0.000 0.967 325 T CB 1.214 70.212 68.868 0.216 0.000 0.960 325 T HN 0.399 nan 8.240 nan 0.000 0.441 326 I N 3.842 124.551 120.570 0.232 0.000 2.287 326 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 326 I C 0.217 176.662 176.117 0.548 0.000 1.069 326 I CA -1.287 60.311 61.300 0.496 0.000 1.237 326 I CB -0.285 37.979 38.000 0.440 0.000 1.418 326 I HN 0.658 nan 8.210 nan 0.000 0.481 327 F N 10.200 130.360 119.950 0.351 0.000 2.623 327 F HA 0.033 4.560 4.527 -0.000 0.000 0.386 327 F C -1.247 174.784 175.800 0.385 0.000 1.068 327 F CA -0.326 57.784 58.000 0.184 0.000 1.265 327 F CB 0.635 39.551 39.000 -0.141 0.000 1.026 327 F HN 0.395 nan 8.300 nan 0.000 0.568 328 P HA 0.013 nan 4.420 nan 0.000 0.218 328 P C 0.421 177.616 177.300 -0.176 0.000 1.151 328 P CA 1.243 63.767 63.100 -0.960 0.000 0.850 328 P CB 0.219 31.123 31.700 -1.327 0.000 0.801 329 T N -4.483 110.100 114.554 0.048 0.000 3.339 329 T HA 0.249 4.598 4.350 -0.000 0.000 0.292 329 T C -0.049 174.740 174.700 0.148 0.000 1.012 329 T CA -0.443 61.824 62.100 0.278 0.000 0.937 329 T CB -1.488 67.511 68.868 0.218 0.000 1.164 329 T HN 0.035 nan 8.240 nan 0.000 0.509 330 C N 2.495 121.898 119.300 0.172 0.000 2.225 330 C HA 0.774 5.234 4.460 -0.000 0.000 0.323 330 C C -0.113 174.894 174.990 0.029 0.000 1.164 330 C CA -0.186 58.889 59.018 0.095 0.000 1.565 330 C CB -1.217 26.720 27.740 0.328 0.000 2.124 330 C HN 0.577 nan 8.230 nan 0.000 0.461 331 S N 4.805 120.414 115.700 -0.150 0.000 2.532 331 S HA 0.954 5.424 4.470 -0.000 0.000 0.301 331 S C -0.780 173.736 174.600 -0.141 0.000 1.083 331 S CA -0.360 57.739 58.200 -0.169 0.000 1.025 331 S CB 1.204 64.344 63.200 -0.100 0.000 1.056 331 S HN 0.817 nan 8.310 nan 0.000 0.494 332 F N -0.465 119.581 119.950 0.160 0.000 2.741 332 F HA 0.704 5.231 4.527 -0.000 0.000 0.313 332 F C -1.950 173.986 175.800 0.228 0.000 1.153 332 F CA -1.523 56.548 58.000 0.119 0.000 0.931 332 F CB 0.812 39.823 39.000 0.019 0.000 1.335 332 F HN 0.267 nan 8.300 nan 0.000 0.460 333 L N 1.566 123.029 121.223 0.400 0.000 2.433 333 L HA 0.426 4.765 4.340 -0.000 0.000 0.256 333 L C -2.193 174.759 176.870 0.137 0.000 1.063 333 L CA -1.496 53.467 54.840 0.205 0.000 0.922 333 L CB 1.419 43.453 42.059 -0.042 0.000 1.238 333 L HN 0.364 nan 8.230 nan 0.000 0.466 334 P HA -0.235 nan 4.420 nan 0.000 0.217 334 P C 1.434 178.623 177.300 -0.186 0.000 1.148 334 P CA 1.337 64.511 63.100 0.124 0.000 0.834 334 P CB 0.370 32.243 31.700 0.289 0.000 0.783 335 A N -0.998 121.624 122.820 -0.331 0.000 2.167 335 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 335 A C 1.761 178.964 177.584 -0.636 0.000 1.151 335 A CA 1.228 52.685 52.037 -0.966 0.000 0.735 335 A CB -0.944 17.700 19.000 -0.593 0.000 0.802 335 A HN 0.228 nan 8.150 nan 0.000 0.467 336 M N -4.397 115.065 119.600 -0.230 0.000 2.260 336 M HA 0.318 4.798 4.480 -0.000 0.000 0.326 336 M C 0.061 176.437 176.300 0.126 0.000 0.930 336 M CA 0.183 55.504 55.300 0.035 0.000 1.051 336 M CB -0.035 32.602 32.600 0.062 0.000 1.748 336 M HN 0.124 nan 8.290 nan 0.000 0.606 337 N N 2.069 120.751 118.700 -0.029 0.000 2.782 337 N HA -0.165 4.575 4.740 -0.000 0.000 0.251 337 N C -0.434 175.044 175.510 -0.052 0.000 1.101 337 N CA 0.638 53.634 53.050 -0.090 0.000 0.764 337 N CB -1.970 36.359 38.487 -0.263 0.000 1.122 337 N HN 0.654 nan 8.380 nan 0.000 0.561 338 N N 0.900 119.595 118.700 -0.009 0.000 2.421 338 N HA 0.143 4.883 4.740 -0.000 0.000 0.260 338 N C -0.603 174.874 175.510 -0.055 0.000 1.173 338 N CA -0.135 52.903 53.050 -0.019 0.000 0.960 338 N CB 0.197 38.647 38.487 -0.062 0.000 1.273 338 N HN 0.131 nan 8.380 nan 0.000 0.497 339 I N 3.793 124.217 120.570 -0.242 0.000 2.396 339 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 339 I C 0.501 176.318 176.117 -0.500 0.000 0.999 339 I CA -0.195 60.880 61.300 -0.375 0.000 1.310 339 I CB 0.978 38.518 38.000 -0.766 0.000 1.404 339 I HN 0.452 nan 8.210 nan 0.000 0.496 340 R N 5.996 126.219 120.500 -0.462 0.000 2.698 340 R HA 0.821 5.161 4.340 -0.000 0.000 0.275 340 R C -1.646 174.166 176.300 -0.814 0.000 1.001 340 R CA -0.848 54.870 56.100 -0.637 0.000 0.896 340 R CB 1.523 31.339 30.300 -0.807 0.000 1.218 340 R HN 0.392 nan 8.270 nan 0.000 0.462 341 I N 1.619 121.749 120.570 -0.734 0.000 2.389 341 I HA 0.366 4.536 4.170 -0.000 0.000 0.288 341 I C -0.888 174.686 176.117 -0.904 0.000 0.999 341 I CA -0.714 60.142 61.300 -0.739 0.000 1.129 341 I CB 1.276 38.992 38.000 -0.472 0.000 1.288 341 I HN 0.504 nan 8.210 nan 0.000 0.444 342 W N 4.917 125.987 121.300 -0.384 0.000 2.316 342 W HA 0.407 5.067 4.660 -0.000 0.000 0.311 342 W C 0.067 176.295 176.519 -0.485 0.000 1.217 342 W CA -0.504 56.628 57.345 -0.355 0.000 1.199 342 W CB 0.319 29.693 29.460 -0.144 0.000 1.202 342 W HN 0.341 nan 8.180 nan 0.000 0.528 343 H N 3.562 122.561 119.070 -0.120 0.000 2.481 343 H HA 0.300 4.856 4.556 -0.000 0.000 0.333 343 H C -2.192 172.992 175.328 -0.240 0.000 1.066 343 H CA -2.463 53.397 56.048 -0.313 0.000 1.209 343 H CB 1.349 30.799 29.762 -0.520 0.000 1.445 343 H HN 0.080 nan 8.280 nan 0.000 0.488 344 P HA 0.229 nan 4.420 nan 0.000 0.279 344 P C 0.102 177.361 177.300 -0.068 0.000 1.239 344 P CA -0.644 62.380 63.100 -0.127 0.000 0.789 344 P CB 1.410 32.903 31.700 -0.345 0.000 0.933 345 R N 2.010 122.494 120.500 -0.027 0.000 2.795 345 R HA 0.500 4.840 4.340 -0.000 0.000 0.320 345 R C 0.488 176.675 176.300 -0.189 0.000 1.223 345 R CA -0.229 55.825 56.100 -0.077 0.000 1.305 345 R CB 0.339 30.599 30.300 -0.067 0.000 1.318 345 R HN 0.931 nan 8.270 nan 0.000 0.636 346 G N 1.748 110.239 108.800 -0.515 0.000 2.661 346 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.685 346 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.685 346 G C -2.197 172.168 174.900 -0.892 0.000 1.298 346 G CA -0.817 43.653 45.100 -1.051 0.000 0.855 346 G HN 0.006 nan 8.290 nan 0.000 0.560 347 P HA 0.002 nan 4.420 nan 0.000 0.223 347 P C 0.866 178.129 177.300 -0.061 0.000 1.151 347 P CA 1.042 64.033 63.100 -0.183 0.000 0.787 347 P CB 0.085 31.756 31.700 -0.049 0.000 0.788 348 N N -0.222 118.427 118.700 -0.086 0.000 2.214 348 N HA 0.105 4.845 4.740 -0.000 0.000 0.214 348 N C 0.148 175.665 175.510 0.012 0.000 1.132 348 N CA 0.251 53.296 53.050 -0.008 0.000 0.856 348 N CB 1.099 39.582 38.487 -0.006 0.000 1.020 348 N HN 0.353 nan 8.380 nan 0.000 0.509 349 E N 0.559 120.760 120.200 0.000 0.000 2.388 349 E HA 0.417 4.767 4.350 -0.000 0.000 0.280 349 E C -1.564 175.066 176.600 0.050 0.000 1.019 349 E CA -0.624 55.795 56.400 0.032 0.000 0.806 349 E CB 2.126 31.832 29.700 0.010 0.000 1.246 349 E HN 0.086 nan 8.360 nan 0.000 0.443 350 I N -1.366 119.252 120.570 0.080 0.000 2.894 350 I HA 0.561 4.731 4.170 -0.000 0.000 0.302 350 I C -0.953 175.218 176.117 0.091 0.000 1.188 350 I CA -0.883 60.470 61.300 0.089 0.000 1.014 350 I CB 2.269 40.343 38.000 0.123 0.000 1.242 350 I HN 0.320 nan 8.210 nan 0.000 0.430 351 E N 2.888 123.135 120.200 0.079 0.000 2.216 351 E HA 0.555 4.904 4.350 -0.000 0.000 0.279 351 E C -1.192 175.443 176.600 0.058 0.000 0.997 351 E CA -0.966 55.504 56.400 0.117 0.000 0.817 351 E CB 2.764 32.607 29.700 0.238 0.000 1.096 351 E HN 0.426 nan 8.360 nan 0.000 0.393 352 V N 3.236 123.082 119.914 -0.114 0.000 2.394 352 V HA 0.266 4.386 4.120 -0.000 0.000 0.282 352 V C -0.966 175.027 176.094 -0.169 0.000 1.031 352 V CA -0.756 61.331 62.300 -0.355 0.000 0.881 352 V CB 0.437 31.700 31.823 -0.933 0.000 0.982 352 V HN 0.597 nan 8.190 nan 0.000 0.451 353 W N 3.165 124.184 121.300 -0.468 0.000 2.471 353 W HA 0.811 5.470 4.660 -0.000 0.000 0.318 353 W C 0.015 176.407 176.519 -0.213 0.000 1.034 353 W CA -1.008 56.198 57.345 -0.231 0.000 1.224 353 W CB 1.754 31.167 29.460 -0.078 0.000 1.335 353 W HN 0.663 nan 8.180 nan 0.000 0.452 354 A N 4.603 127.520 122.820 0.162 0.000 2.414 354 A HA 0.980 5.299 4.320 -0.000 0.000 0.306 354 A C -1.476 176.290 177.584 0.303 0.000 1.054 354 A CA -0.566 51.550 52.037 0.132 0.000 0.724 354 A CB 1.298 20.436 19.000 0.231 0.000 1.267 354 A HN 0.642 nan 8.150 nan 0.000 0.418 355 F N -0.699 119.323 119.950 0.120 0.000 2.711 355 F HA 0.866 5.393 4.527 -0.000 0.000 0.313 355 F C -0.334 175.525 175.800 0.098 0.000 1.141 355 F CA -0.319 57.759 58.000 0.130 0.000 0.941 355 F CB 1.500 40.608 39.000 0.181 0.000 1.349 355 F HN 0.708 nan 8.300 nan 0.000 0.464 356 T N 0.331 115.042 114.554 0.262 0.000 2.893 356 T HA 0.767 5.117 4.350 -0.000 0.000 0.291 356 T C -1.269 173.463 174.700 0.053 0.000 1.028 356 T CA -0.708 61.440 62.100 0.081 0.000 0.995 356 T CB 1.550 70.479 68.868 0.101 0.000 1.051 356 T HN 0.847 nan 8.240 nan 0.000 0.470 357 L N 2.722 123.891 121.223 -0.090 0.000 2.334 357 L HA 0.878 5.217 4.340 -0.000 0.000 0.272 357 L C -0.184 176.513 176.870 -0.288 0.000 1.020 357 L CA -1.321 53.417 54.840 -0.171 0.000 0.812 357 L CB 2.007 43.964 42.059 -0.170 0.000 1.264 357 L HN 0.779 nan 8.230 nan 0.000 0.439 358 V N -2.729 117.036 119.914 -0.249 0.000 3.130 358 V HA 0.506 4.626 4.120 -0.000 0.000 0.310 358 V C -1.035 174.983 176.094 -0.127 0.000 1.158 358 V CA -1.155 60.984 62.300 -0.269 0.000 1.029 358 V CB 1.985 33.698 31.823 -0.183 0.000 1.057 358 V HN 0.539 nan 8.190 nan 0.000 0.436 359 D N 1.561 121.934 120.400 -0.045 0.000 2.455 359 D HA 0.373 5.013 4.640 -0.000 0.000 0.241 359 D C 1.175 177.482 176.300 0.012 0.000 1.138 359 D CA 0.685 54.702 54.000 0.028 0.000 0.877 359 D CB 1.734 42.609 40.800 0.125 0.000 1.187 359 D HN 0.928 nan 8.370 nan 0.000 0.451 360 A N 2.824 125.649 122.820 0.009 0.000 2.019 360 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 360 A C 0.985 178.581 177.584 0.020 0.000 1.164 360 A CA 1.192 53.232 52.037 0.005 0.000 0.644 360 A CB -0.151 18.853 19.000 0.008 0.000 0.805 360 A HN 0.576 nan 8.150 nan 0.000 0.449 361 D N -0.609 119.815 120.400 0.039 0.000 2.738 361 D HA 0.483 5.123 4.640 -0.000 0.000 0.246 361 D C 0.016 176.369 176.300 0.088 0.000 1.270 361 D CA 0.240 54.271 54.000 0.051 0.000 0.833 361 D CB -0.396 40.430 40.800 0.043 0.000 1.040 361 D HN 0.282 nan 8.370 nan 0.000 0.487 362 A N 1.055 123.926 122.820 0.085 0.000 2.301 362 A HA 0.606 4.926 4.320 -0.000 0.000 0.312 362 A C -2.432 175.184 177.584 0.052 0.000 1.182 362 A CA -1.437 50.661 52.037 0.102 0.000 0.826 362 A CB 0.455 19.486 19.000 0.052 0.000 1.134 362 A HN 0.045 nan 8.150 nan 0.000 0.501 363 P HA 0.119 nan 4.420 nan 0.000 0.266 363 P C 1.050 178.359 177.300 0.015 0.000 1.193 363 P CA 0.678 63.802 63.100 0.040 0.000 0.770 363 P CB 0.658 32.390 31.700 0.053 0.000 0.836 364 A N 2.861 125.691 122.820 0.017 0.000 1.903 364 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 364 A C 1.943 179.533 177.584 0.009 0.000 1.191 364 A CA 2.121 54.165 52.037 0.013 0.000 0.638 364 A CB -1.249 17.758 19.000 0.012 0.000 0.823 364 A HN 0.595 nan 8.150 nan 0.000 0.451 365 E N -0.317 119.888 120.200 0.007 0.000 2.110 365 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 365 E C 1.849 178.441 176.600 -0.012 0.000 0.988 365 E CA 1.177 57.578 56.400 0.002 0.000 0.804 365 E CB -0.179 29.524 29.700 0.007 0.000 0.745 365 E HN 0.611 nan 8.360 nan 0.000 0.458 366 I N 0.778 121.324 120.570 -0.039 0.000 2.546 366 I HA -0.176 3.994 4.170 -0.000 0.000 0.255 366 I C 1.783 177.901 176.117 0.003 0.000 1.163 366 I CA 1.218 62.452 61.300 -0.110 0.000 1.457 366 I CB -0.731 37.084 38.000 -0.307 0.000 1.092 366 I HN 0.086 nan 8.210 nan 0.000 0.434 367 K N 0.709 121.129 120.400 0.033 0.000 2.097 367 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 367 K C 2.013 178.672 176.600 0.098 0.000 1.050 367 K CA 1.174 57.513 56.287 0.086 0.000 0.938 367 K CB -0.014 32.508 32.500 0.036 0.000 0.718 367 K HN 0.097 nan 8.250 nan 0.000 0.442 368 E N 1.143 121.373 120.200 0.050 0.000 2.208 368 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 368 E C 1.540 178.162 176.600 0.037 0.000 0.988 368 E CA 1.137 57.558 56.400 0.036 0.000 0.828 368 E CB 0.146 29.853 29.700 0.012 0.000 0.763 368 E HN 0.129 nan 8.360 nan 0.000 0.478 369 E N -0.443 119.777 120.200 0.034 0.000 2.072 369 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 369 E C 1.861 178.514 176.600 0.088 0.000 0.985 369 E CA 0.961 57.393 56.400 0.053 0.000 0.801 369 E CB -0.435 29.237 29.700 -0.047 0.000 0.750 369 E HN 0.491 nan 8.360 nan 0.000 0.452 370 Y N 0.917 121.258 120.300 0.068 0.000 2.200 370 Y HA -0.129 4.421 4.550 -0.000 0.000 0.290 370 Y C 2.756 178.700 175.900 0.075 0.000 1.137 370 Y CA 1.424 59.564 58.100 0.066 0.000 1.163 370 Y CB -0.068 38.400 38.460 0.013 0.000 0.988 370 Y HN -0.035 nan 8.280 nan 0.000 0.518 371 R N 0.493 121.111 120.500 0.197 0.000 2.082 371 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 371 R C 2.364 178.705 176.300 0.068 0.000 1.136 371 R CA 1.813 57.983 56.100 0.117 0.000 0.935 371 R CB -0.196 30.146 30.300 0.071 0.000 0.842 371 R HN 0.273 nan 8.270 nan 0.000 0.430 372 R N -0.898 119.600 120.500 -0.003 0.000 2.080 372 R HA -0.155 4.185 4.340 -0.000 0.000 0.236 372 R C 2.212 178.428 176.300 -0.139 0.000 1.137 372 R CA 2.086 58.115 56.100 -0.119 0.000 0.943 372 R CB -0.572 29.577 30.300 -0.252 0.000 0.846 372 R HN 0.509 nan 8.270 nan 0.000 0.431 373 H N -0.217 118.851 119.070 -0.004 0.000 2.491 373 H HA 0.034 4.590 4.556 -0.000 0.000 0.290 373 H C 1.769 177.103 175.328 0.009 0.000 1.050 373 H CA 0.742 56.776 56.048 -0.024 0.000 1.309 373 H CB 0.080 29.805 29.762 -0.062 0.000 1.392 373 H HN 0.198 nan 8.280 nan 0.000 0.554 374 N N 0.080 118.895 118.700 0.192 0.000 2.333 374 N HA -0.042 4.698 4.740 -0.000 0.000 0.178 374 N C 1.680 177.287 175.510 0.162 0.000 1.018 374 N CA 0.629 53.828 53.050 0.249 0.000 0.882 374 N CB 0.274 38.929 38.487 0.279 0.000 0.984 374 N HN 0.342 nan 8.380 nan 0.000 0.434 375 I N 0.982 121.603 120.570 0.085 0.000 2.202 375 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 375 I C 2.647 178.753 176.117 -0.018 0.000 1.091 375 I CA 0.845 62.166 61.300 0.035 0.000 1.368 375 I CB -0.141 37.864 38.000 0.009 0.000 1.058 375 I HN 0.039 nan 8.210 nan 0.000 0.410 376 R N 0.833 121.307 120.500 -0.044 0.000 2.120 376 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 376 R C 1.826 178.069 176.300 -0.094 0.000 1.123 376 R CA 1.526 57.586 56.100 -0.065 0.000 0.975 376 R CB -0.015 30.246 30.300 -0.066 0.000 0.866 376 R HN 0.463 nan 8.270 nan 0.000 0.446 377 N N -1.069 117.507 118.700 -0.207 0.000 2.508 377 N HA -0.003 4.737 4.740 -0.000 0.000 0.186 377 N C 0.010 175.193 175.510 -0.545 0.000 1.034 377 N CA 0.736 53.480 53.050 -0.509 0.000 0.885 377 N CB 0.437 38.215 38.487 -1.181 0.000 1.135 377 N HN 0.089 nan 8.380 nan 0.000 0.435 378 F N 1.124 121.161 119.950 0.145 0.000 2.881 378 F HA 0.333 4.859 4.527 -0.000 0.000 0.343 378 F C 0.756 176.656 175.800 0.167 0.000 1.233 378 F CA -0.865 57.253 58.000 0.197 0.000 1.262 378 F CB 0.029 39.166 39.000 0.229 0.000 0.980 378 F HN -0.164 nan 8.300 nan 0.000 0.506 379 S N -0.422 115.333 115.700 0.092 0.000 2.786 379 S HA 0.795 5.265 4.470 -0.000 0.000 0.307 379 S C 1.420 175.656 174.600 -0.607 0.000 1.121 379 S CA -0.133 57.964 58.200 -0.172 0.000 0.975 379 S CB 1.366 64.510 63.200 -0.094 0.000 1.220 379 S HN 0.094 nan 8.310 nan 0.000 0.550 380 A N 0.240 122.421 122.820 -1.065 0.000 1.978 380 A HA 0.203 4.523 4.320 -0.000 0.000 0.220 380 A C 1.699 178.990 177.584 -0.490 0.000 1.170 380 A CA 1.451 52.788 52.037 -1.167 0.000 0.636 380 A CB -1.478 16.947 19.000 -0.959 0.000 0.810 380 A HN 1.280 nan 8.150 nan 0.000 0.448 381 G N -0.241 108.375 108.800 -0.307 0.000 3.814 381 G HA2 0.457 4.416 3.960 -0.000 0.000 0.293 381 G HA3 0.457 4.416 3.960 -0.000 0.000 0.293 381 G C 0.425 175.251 174.900 -0.123 0.000 1.243 381 G CA 0.328 45.326 45.100 -0.170 0.000 1.053 381 G HN 0.648 nan 8.290 nan 0.000 0.562 382 G N -0.460 108.270 108.800 -0.117 0.000 2.420 382 G HA2 0.385 4.345 3.960 -0.000 0.000 0.284 382 G HA3 0.385 4.345 3.960 -0.000 0.000 0.284 382 G C 1.168 176.054 174.900 -0.023 0.000 1.177 382 G CA 0.112 45.176 45.100 -0.060 0.000 0.841 382 G HN 0.538 nan 8.290 nan 0.000 0.527 383 V N -0.213 119.689 119.914 -0.020 0.000 2.970 383 V HA 0.059 4.179 4.120 -0.000 0.000 0.260 383 V C 1.719 177.777 176.094 -0.059 0.000 1.100 383 V CA 1.165 63.440 62.300 -0.042 0.000 1.122 383 V CB -0.968 30.817 31.823 -0.062 0.000 0.721 383 V HN 0.515 nan 8.190 nan 0.000 0.483 384 F N 0.811 120.736 119.950 -0.041 0.000 2.298 384 F HA 0.248 4.775 4.527 -0.000 0.000 0.282 384 F C 2.417 178.403 175.800 0.309 0.000 1.045 384 F CA 1.180 59.287 58.000 0.178 0.000 1.280 384 F CB -0.565 38.418 39.000 -0.029 0.000 1.114 384 F HN 0.141 nan 8.300 nan 0.000 0.546 385 E N 0.820 121.281 120.200 0.435 0.000 2.136 385 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 385 E C 1.978 178.679 176.600 0.168 0.000 1.019 385 E CA 1.914 58.533 56.400 0.366 0.000 0.819 385 E CB -0.343 29.539 29.700 0.304 0.000 0.739 385 E HN 0.439 nan 8.360 nan 0.000 0.458 386 Q N -0.448 119.390 119.800 0.064 0.000 2.152 386 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 386 Q C 1.545 177.510 176.000 -0.058 0.000 0.985 386 Q CA 1.644 57.436 55.803 -0.018 0.000 0.863 386 Q CB -0.053 28.655 28.738 -0.050 0.000 0.904 386 Q HN 0.421 nan 8.270 nan 0.000 0.422 387 D N -0.015 120.332 120.400 -0.088 0.000 2.213 387 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 387 D C 1.278 177.405 176.300 -0.288 0.000 0.961 387 D CA 0.583 54.459 54.000 -0.206 0.000 0.853 387 D CB -0.096 40.510 40.800 -0.324 0.000 0.967 387 D HN 0.174 nan 8.370 nan 0.000 0.496 388 D N 0.808 121.033 120.400 -0.292 0.000 2.092 388 D HA -0.123 4.517 4.640 -0.000 0.000 0.193 388 D C 2.156 177.925 176.300 -0.884 0.000 0.994 388 D CA 1.430 55.023 54.000 -0.678 0.000 0.828 388 D CB -0.452 39.961 40.800 -0.646 0.000 0.963 388 D HN 0.251 nan 8.370 nan 0.000 0.450 389 G N 0.526 109.085 108.800 -0.402 0.000 2.432 389 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 389 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 389 G C 1.572 176.453 174.900 -0.031 0.000 1.135 389 G CA 0.903 45.966 45.100 -0.062 0.000 0.767 389 G HN 0.253 nan 8.290 nan 0.000 0.550 390 E N 0.883 121.021 120.200 -0.102 0.000 2.150 390 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 390 E C 2.131 178.666 176.600 -0.108 0.000 0.985 390 E CA 1.387 57.738 56.400 -0.082 0.000 0.814 390 E CB -0.387 29.255 29.700 -0.097 0.000 0.752 390 E HN 0.544 nan 8.360 nan 0.000 0.466 391 N N -0.986 117.597 118.700 -0.195 0.000 2.135 391 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 391 N C 1.128 176.588 175.510 -0.084 0.000 1.027 391 N CA 1.230 54.172 53.050 -0.180 0.000 0.849 391 N CB -0.147 38.185 38.487 -0.258 0.000 1.002 391 N HN 0.232 nan 8.380 nan 0.000 0.425 392 W N 0.852 122.054 121.300 -0.164 0.000 2.363 392 W HA 0.011 4.671 4.660 -0.000 0.000 0.296 392 W C 1.933 178.328 176.519 -0.206 0.000 1.212 392 W CA 0.257 57.450 57.345 -0.253 0.000 1.260 392 W CB -1.167 28.217 29.460 -0.127 0.000 1.131 392 W HN -0.071 nan 8.180 nan 0.000 0.530 393 V N 0.582 120.563 119.914 0.110 0.000 2.343 393 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 393 V C 2.388 178.478 176.094 -0.006 0.000 1.051 393 V CA 1.966 64.301 62.300 0.058 0.000 1.036 393 V CB -0.635 31.224 31.823 0.060 0.000 0.654 393 V HN -0.005 nan 8.190 nan 0.000 0.451 394 E N -0.109 120.068 120.200 -0.039 0.000 2.107 394 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 394 E C 2.138 178.680 176.600 -0.097 0.000 0.982 394 E CA 1.028 57.392 56.400 -0.060 0.000 0.809 394 E CB -0.258 29.403 29.700 -0.066 0.000 0.756 394 E HN 0.597 nan 8.360 nan 0.000 0.459 395 I N 0.832 121.299 120.570 -0.173 0.000 2.127 395 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 395 I C 2.617 178.630 176.117 -0.174 0.000 1.075 395 I CA 1.321 62.456 61.300 -0.275 0.000 1.334 395 I CB -0.286 37.319 38.000 -0.657 0.000 1.040 395 I HN 0.076 nan 8.210 nan 0.000 0.405 396 Q N 1.255 120.982 119.800 -0.122 0.000 2.124 396 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 396 Q C 2.030 178.036 176.000 0.010 0.000 0.977 396 Q CA 1.779 57.580 55.803 -0.003 0.000 0.850 396 Q CB -0.174 28.590 28.738 0.043 0.000 0.901 396 Q HN 0.275 nan 8.270 nan 0.000 0.429 397 K N -0.736 119.661 120.400 -0.005 0.000 2.063 397 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 397 K C 1.847 178.449 176.600 0.003 0.000 1.048 397 K CA 1.879 58.169 56.287 0.004 0.000 0.928 397 K CB -0.988 31.511 32.500 -0.001 0.000 0.713 397 K HN 0.264 nan 8.250 nan 0.000 0.442 398 G N 0.679 109.470 108.800 -0.014 0.000 2.432 398 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 398 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 398 G C 1.352 176.256 174.900 0.008 0.000 1.135 398 G CA 0.844 45.938 45.100 -0.011 0.000 0.767 398 G HN 0.317 nan 8.290 nan 0.000 0.550 399 L N -0.018 121.215 121.223 0.018 0.000 2.633 399 L HA 0.069 4.408 4.340 -0.000 0.000 0.235 399 L C 2.807 179.711 176.870 0.057 0.000 1.163 399 L CA 0.126 54.993 54.840 0.046 0.000 0.859 399 L CB -0.165 41.941 42.059 0.079 0.000 0.973 399 L HN 0.182 nan 8.230 nan 0.000 0.451 400 R N 0.274 120.803 120.500 0.049 0.000 2.189 400 R HA 0.005 4.345 4.340 -0.000 0.000 0.223 400 R C 1.201 177.543 176.300 0.069 0.000 1.092 400 R CA 0.525 56.660 56.100 0.057 0.000 0.989 400 R CB -0.280 30.047 30.300 0.045 0.000 0.876 400 R HN 0.303 nan 8.270 nan 0.000 0.457 401 G N -0.544 108.293 108.800 0.062 0.000 2.432 401 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.257 401 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.257 401 G C 0.015 174.978 174.900 0.105 0.000 1.238 401 G CA -0.489 44.659 45.100 0.081 0.000 0.838 401 G HN 0.144 nan 8.290 nan 0.000 0.547 402 Y N 1.877 122.191 120.300 0.024 0.000 2.097 402 Y HA -0.146 4.404 4.550 -0.000 0.000 0.282 402 Y C 2.437 178.351 175.900 0.024 0.000 1.152 402 Y CA 2.028 60.142 58.100 0.025 0.000 1.136 402 Y CB 0.218 38.689 38.460 0.019 0.000 0.975 402 Y HN 0.374 nan 8.280 nan 0.000 0.498 403 K N 0.401 120.751 120.400 -0.084 0.000 2.288 403 K HA 0.036 4.356 4.320 -0.000 0.000 0.201 403 K C 2.212 178.736 176.600 -0.127 0.000 1.048 403 K CA 0.888 57.068 56.287 -0.178 0.000 0.956 403 K CB -0.658 31.834 32.500 -0.014 0.000 0.746 403 K HN 0.469 nan 8.250 nan 0.000 0.461 404 A N 1.416 124.199 122.820 -0.062 0.000 2.015 404 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 404 A C 1.637 179.195 177.584 -0.043 0.000 1.163 404 A CA 1.316 53.331 52.037 -0.036 0.000 0.646 404 A CB -0.091 18.906 19.000 -0.005 0.000 0.806 404 A HN 0.229 nan 8.150 nan 0.000 0.448 405 K N -0.113 120.242 120.400 -0.075 0.000 2.373 405 K HA 0.071 4.391 4.320 -0.000 0.000 0.202 405 K C 1.418 177.948 176.600 -0.117 0.000 1.025 405 K CA 0.627 56.881 56.287 -0.056 0.000 1.115 405 K CB 0.371 32.866 32.500 -0.009 0.000 0.858 405 K HN 0.540 nan 8.250 nan 0.000 0.525 406 S N -0.091 115.490 115.700 -0.200 0.000 2.528 406 S HA 0.060 4.530 4.470 -0.000 0.000 0.219 406 S C 0.599 175.127 174.600 -0.120 0.000 0.985 406 S CA -0.108 57.950 58.200 -0.235 0.000 0.914 406 S CB 0.159 63.121 63.200 -0.395 0.000 0.776 406 S HN 0.142 nan 8.310 nan 0.000 0.526 407 Q N 1.533 121.283 119.800 -0.083 0.000 2.397 407 Q HA 0.514 4.854 4.340 -0.000 0.000 0.275 407 Q C -2.931 173.048 176.000 -0.036 0.000 1.090 407 Q CA -2.563 53.210 55.803 -0.051 0.000 0.809 407 Q CB 2.284 30.996 28.738 -0.045 0.000 1.362 407 Q HN 0.209 nan 8.270 nan 0.000 0.431 408 P HA 0.135 nan 4.420 nan 0.000 0.274 408 P C -0.822 176.461 177.300 -0.029 0.000 1.231 408 P CA -0.117 62.964 63.100 -0.032 0.000 0.790 408 P CB 0.833 32.512 31.700 -0.035 0.000 0.951 409 L N 2.003 123.207 121.223 -0.031 0.000 2.334 409 L HA 0.301 4.641 4.340 -0.000 0.000 0.277 409 L C 1.223 178.070 176.870 -0.037 0.000 1.075 409 L CA -0.659 54.168 54.840 -0.023 0.000 0.804 409 L CB 0.352 42.411 42.059 0.002 0.000 1.174 409 L HN 0.432 nan 8.230 nan 0.000 0.438 410 N N 2.157 120.845 118.700 -0.021 0.000 2.442 410 N HA 0.223 4.963 4.740 -0.000 0.000 0.265 410 N C -0.562 174.935 175.510 -0.021 0.000 1.138 410 N CA 0.045 53.082 53.050 -0.021 0.000 0.956 410 N CB 1.438 39.920 38.487 -0.007 0.000 1.067 410 N HN 0.726 nan 8.380 nan 0.000 0.474 411 A N 4.211 127.009 122.820 -0.037 0.000 3.129 411 A HA 0.185 4.505 4.320 -0.000 0.000 0.282 411 A C 0.620 178.186 177.584 -0.029 0.000 0.948 411 A CA -0.430 51.589 52.037 -0.030 0.000 1.027 411 A CB 0.203 19.171 19.000 -0.054 0.000 1.123 411 A HN 0.768 nan 8.150 nan 0.000 0.485 412 Q N -0.302 119.479 119.800 -0.032 0.000 2.360 412 Q HA 0.216 4.556 4.340 -0.000 0.000 0.202 412 Q C 0.670 176.643 176.000 -0.045 0.000 0.915 412 Q CA -0.010 55.772 55.803 -0.035 0.000 0.943 412 Q CB 0.206 28.925 28.738 -0.033 0.000 1.064 412 Q HN 0.806 nan 8.270 nan 0.000 0.511 413 M N 0.447 120.012 119.600 -0.058 0.000 2.303 413 M HA 0.092 4.572 4.480 -0.000 0.000 0.350 413 M C 0.453 176.719 176.300 -0.057 0.000 1.518 413 M CA 1.089 56.338 55.300 -0.086 0.000 1.070 413 M CB 0.199 32.710 32.600 -0.148 0.000 1.910 413 M HN 0.398 nan 8.290 nan 0.000 0.458 414 G N 4.441 113.207 108.800 -0.057 0.000 2.198 414 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 414 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 414 G C -0.415 174.468 174.900 -0.029 0.000 1.042 414 G CA -0.131 44.949 45.100 -0.034 0.000 0.791 414 G HN 0.687 nan 8.290 nan 0.000 0.502 415 L N 0.851 122.054 121.223 -0.034 0.000 2.530 415 L HA 0.507 4.847 4.340 -0.000 0.000 0.273 415 L C 1.465 178.320 176.870 -0.025 0.000 1.141 415 L CA 1.618 56.440 54.840 -0.030 0.000 0.905 415 L CB 0.127 42.167 42.059 -0.031 0.000 1.202 415 L HN 1.541 nan 8.230 nan 0.000 0.473 416 G N 4.378 113.164 108.800 -0.022 0.000 2.324 416 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.292 416 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.292 416 G C 0.779 175.676 174.900 -0.005 0.000 1.079 416 G CA 0.562 45.653 45.100 -0.015 0.000 1.026 416 G HN 0.714 nan 8.290 nan 0.000 0.506 417 R N -0.954 119.545 120.500 -0.000 0.000 2.539 417 R HA 0.210 4.550 4.340 -0.000 0.000 0.342 417 R C 0.332 176.653 176.300 0.035 0.000 0.941 417 R CA 0.241 56.349 56.100 0.014 0.000 1.146 417 R CB 0.816 31.118 30.300 0.003 0.000 1.541 417 R HN 0.286 nan 8.270 nan 0.000 0.525 418 S N 1.804 117.520 115.700 0.026 0.000 2.451 418 S HA 0.289 4.759 4.470 -0.000 0.000 0.301 418 S C -0.627 174.005 174.600 0.053 0.000 1.116 418 S CA -0.746 57.477 58.200 0.039 0.000 1.093 418 S CB 1.598 64.801 63.200 0.006 0.000 1.017 418 S HN 0.159 nan 8.310 nan 0.000 0.482 419 Q N 0.190 120.046 119.800 0.092 0.000 2.377 419 Q HA 0.517 4.857 4.340 -0.000 0.000 0.271 419 Q C 0.431 176.517 176.000 0.143 0.000 1.077 419 Q CA -0.989 54.876 55.803 0.102 0.000 0.820 419 Q CB 1.031 29.829 28.738 0.099 0.000 1.347 419 Q HN 0.587 nan 8.270 nan 0.000 0.444 420 T N -1.800 112.829 114.554 0.125 0.000 2.985 420 T HA 0.067 4.417 4.350 -0.000 0.000 0.266 420 T C 1.036 175.842 174.700 0.178 0.000 1.076 420 T CA 0.615 62.806 62.100 0.152 0.000 1.135 420 T CB -0.275 68.664 68.868 0.118 0.000 0.890 420 T HN 0.715 nan 8.240 nan 0.000 0.480 421 G N 1.692 110.582 108.800 0.151 0.000 2.770 421 G HA2 0.292 4.252 3.960 -0.000 0.000 0.307 421 G HA3 0.292 4.252 3.960 -0.000 0.000 0.307 421 G C -0.735 174.266 174.900 0.169 0.000 0.863 421 G CA -0.414 44.767 45.100 0.136 0.000 1.595 421 G HN 0.533 nan 8.290 nan 0.000 0.496 422 H N 3.956 123.097 119.070 0.117 0.000 2.505 422 H HA 0.293 4.849 4.556 -0.000 0.000 0.338 422 H C -1.432 173.945 175.328 0.082 0.000 1.057 422 H CA -1.647 54.478 56.048 0.128 0.000 1.202 422 H CB 2.977 32.866 29.762 0.212 0.000 1.466 422 H HN 0.284 nan 8.280 nan 0.000 0.499 423 P HA -0.088 nan 4.420 nan 0.000 0.218 423 P C 0.261 177.535 177.300 -0.045 0.000 1.149 423 P CA 0.880 63.918 63.100 -0.104 0.000 0.817 423 P CB 0.956 32.552 31.700 -0.173 0.000 0.785 424 D N -0.504 119.924 120.400 0.047 0.000 2.435 424 D HA 0.127 4.767 4.640 -0.000 0.000 0.257 424 D C 0.298 176.509 176.300 -0.149 0.000 1.290 424 D CA 0.415 54.321 54.000 -0.157 0.000 0.994 424 D CB -0.665 39.872 40.800 -0.440 0.000 1.014 424 D HN 0.019 nan 8.370 nan 0.000 0.378 425 F N 1.875 122.012 119.950 0.311 0.000 2.427 425 F HA 0.295 4.822 4.527 -0.000 0.000 0.352 425 F C -1.708 174.201 175.800 0.183 0.000 1.100 425 F CA -1.969 56.116 58.000 0.142 0.000 1.191 425 F CB 0.425 39.559 39.000 0.224 0.000 1.128 425 F HN -0.066 nan 8.300 nan 0.000 0.533 426 P HA 0.408 nan 4.420 nan 0.000 0.280 426 P C 0.211 177.723 177.300 0.354 0.000 1.244 426 P CA 0.139 63.368 63.100 0.214 0.000 0.784 426 P CB 1.395 33.138 31.700 0.071 0.000 0.913 427 G N 2.367 111.385 108.800 0.364 0.000 2.422 427 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.607 427 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.607 427 G C -0.916 174.209 174.900 0.374 0.000 1.270 427 G CA -0.878 44.495 45.100 0.455 0.000 0.992 427 G HN 0.661 nan 8.290 nan 0.000 0.499 428 N N -0.055 118.818 118.700 0.288 0.000 2.416 428 N HA 0.428 5.168 4.740 -0.000 0.000 0.265 428 N C -0.354 175.244 175.510 0.147 0.000 1.195 428 N CA 0.274 53.409 53.050 0.142 0.000 0.943 428 N CB 0.751 39.242 38.487 0.006 0.000 1.115 428 N HN 0.771 nan 8.380 nan 0.000 0.481 429 V N 2.156 122.156 119.914 0.143 0.000 2.577 429 V HA 0.764 4.884 4.120 -0.000 0.000 0.303 429 V C 0.739 176.856 176.094 0.039 0.000 1.042 429 V CA -0.660 61.688 62.300 0.081 0.000 0.872 429 V CB 1.491 33.343 31.823 0.049 0.000 0.998 429 V HN 0.720 nan 8.190 nan 0.000 0.423 430 G N 2.092 110.869 108.800 -0.038 0.000 3.243 430 G HA2 0.496 4.456 3.960 -0.000 0.000 0.248 430 G HA3 0.496 4.456 3.960 -0.000 0.000 0.248 430 G C -1.504 173.374 174.900 -0.038 0.000 1.267 430 G CA -0.747 44.356 45.100 0.005 0.000 0.906 430 G HN 0.465 nan 8.290 nan 0.000 0.592 431 Y N -0.217 120.022 120.300 -0.102 0.000 2.397 431 Y HA 0.261 4.811 4.550 -0.000 0.000 0.335 431 Y C 1.648 177.411 175.900 -0.228 0.000 1.213 431 Y CA 0.482 58.502 58.100 -0.132 0.000 1.391 431 Y CB 1.648 40.070 38.460 -0.062 0.000 1.293 431 Y HN 0.232 nan 8.280 nan 0.000 0.557 432 V N 6.413 125.860 119.914 -0.778 0.000 2.287 432 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 432 V C 0.160 176.061 176.094 -0.322 0.000 1.053 432 V CA 1.648 63.523 62.300 -0.709 0.000 1.027 432 V CB -0.628 30.620 31.823 -0.957 0.000 0.646 432 V HN 0.709 nan 8.190 nan 0.000 0.447 433 Y N 1.397 121.732 120.300 0.058 0.000 2.636 433 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 433 Y C 0.357 176.327 175.900 0.117 0.000 1.286 433 Y CA -0.335 57.876 58.100 0.185 0.000 1.688 433 Y CB -0.785 37.868 38.460 0.321 0.000 1.662 433 Y HN 0.300 nan 8.280 nan 0.000 0.465 434 A N 0.964 123.871 122.820 0.144 0.000 2.532 434 A HA 0.803 5.123 4.320 -0.000 0.000 0.290 434 A C -0.112 177.485 177.584 0.021 0.000 1.143 434 A CA -0.886 51.181 52.037 0.049 0.000 0.728 434 A CB 1.396 20.421 19.000 0.043 0.000 1.317 434 A HN 0.506 nan 8.150 nan 0.000 0.414 435 E N -0.469 119.731 120.200 -0.001 0.000 3.105 435 E HA 0.101 4.451 4.350 -0.000 0.000 0.198 435 E C 0.226 176.830 176.600 0.006 0.000 0.976 435 E CA -0.060 56.351 56.400 0.019 0.000 1.219 435 E CB 0.910 30.625 29.700 0.026 0.000 1.081 435 E HN 0.679 nan 8.360 nan 0.000 0.464 436 E N 1.053 121.242 120.200 -0.018 0.000 2.072 436 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 436 E C 1.827 178.391 176.600 -0.061 0.000 0.982 436 E CA 1.524 57.899 56.400 -0.041 0.000 0.803 436 E CB 0.045 29.713 29.700 -0.053 0.000 0.755 436 E HN 0.289 nan 8.360 nan 0.000 0.453 437 A N 0.817 123.596 122.820 -0.068 0.000 1.930 437 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 437 A C 2.425 179.982 177.584 -0.044 0.000 1.175 437 A CA 1.801 53.783 52.037 -0.090 0.000 0.627 437 A CB -0.969 17.981 19.000 -0.082 0.000 0.815 437 A HN 0.373 nan 8.150 nan 0.000 0.443 438 A N 0.159 122.989 122.820 0.017 0.000 1.865 438 A HA -0.210 4.109 4.320 -0.000 0.000 0.217 438 A C 2.237 179.923 177.584 0.169 0.000 1.191 438 A CA 1.673 53.761 52.037 0.086 0.000 0.623 438 A CB -0.544 18.552 19.000 0.160 0.000 0.826 438 A HN 0.544 nan 8.150 nan 0.000 0.444 439 R N -0.964 119.611 120.500 0.124 0.000 2.127 439 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 439 R C 2.337 178.679 176.300 0.070 0.000 1.134 439 R CA 1.060 57.229 56.100 0.115 0.000 0.975 439 R CB -0.623 29.695 30.300 0.029 0.000 0.865 439 R HN 0.560 nan 8.270 nan 0.000 0.447 440 G N 0.841 109.628 108.800 -0.022 0.000 2.422 440 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 440 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 440 G C 1.385 176.206 174.900 -0.132 0.000 1.146 440 G CA 0.434 45.480 45.100 -0.091 0.000 0.769 440 G HN 0.174 nan 8.290 nan 0.000 0.547 441 M N -0.773 118.738 119.600 -0.148 0.000 2.099 441 M HA 0.005 4.484 4.480 -0.000 0.000 0.262 441 M C 2.344 178.500 176.300 -0.239 0.000 1.067 441 M CA 1.306 56.463 55.300 -0.238 0.000 1.124 441 M CB -0.111 32.342 32.600 -0.244 0.000 1.353 441 M HN 0.371 nan 8.290 nan 0.000 0.410 442 Y N -1.431 118.832 120.300 -0.062 0.000 2.373 442 Y HA -0.227 4.323 4.550 -0.000 0.000 0.293 442 Y C 2.382 178.300 175.900 0.030 0.000 1.129 442 Y CA 1.533 59.598 58.100 -0.058 0.000 1.226 442 Y CB -0.492 37.886 38.460 -0.136 0.000 1.000 442 Y HN 0.442 nan 8.280 nan 0.000 0.549 443 H N -1.126 117.971 119.070 0.045 0.000 2.333 443 H HA -0.173 4.383 4.556 -0.000 0.000 0.302 443 H C 2.374 177.640 175.328 -0.103 0.000 1.075 443 H CA 2.037 58.075 56.048 -0.017 0.000 1.348 443 H CB -0.300 29.433 29.762 -0.049 0.000 1.393 443 H HN 0.342 nan 8.280 nan 0.000 0.509 444 H N -1.341 117.532 119.070 -0.328 0.000 2.387 444 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 444 H C 1.978 176.958 175.328 -0.580 0.000 1.090 444 H CA 1.441 57.119 56.048 -0.616 0.000 1.332 444 H CB -0.359 28.811 29.762 -0.987 0.000 1.386 444 H HN 0.586 nan 8.280 nan 0.000 0.516 445 W N 1.338 122.238 121.300 -0.667 0.000 2.355 445 W HA -0.238 4.422 4.660 -0.000 0.000 0.309 445 W C 2.674 179.003 176.519 -0.317 0.000 1.206 445 W CA 1.772 58.907 57.345 -0.351 0.000 1.284 445 W CB -0.353 29.061 29.460 -0.076 0.000 1.145 445 W HN 0.081 nan 8.180 nan 0.000 0.502 446 M N 1.057 120.606 119.600 -0.085 0.000 2.108 446 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 446 M C 1.944 177.971 176.300 -0.455 0.000 1.066 446 M CA 1.989 57.129 55.300 -0.267 0.000 1.107 446 M CB -0.753 31.798 32.600 -0.082 0.000 1.356 446 M HN 0.131 nan 8.290 nan 0.000 0.406 447 R N -0.387 119.819 120.500 -0.489 0.000 2.070 447 R HA -0.102 4.238 4.340 -0.000 0.000 0.233 447 R C 2.263 178.285 176.300 -0.464 0.000 1.137 447 R CA 1.817 57.656 56.100 -0.436 0.000 0.945 447 R CB -0.436 29.630 30.300 -0.390 0.000 0.845 447 R HN 0.448 nan 8.270 nan 0.000 0.430 448 M N -0.139 119.100 119.600 -0.601 0.000 2.267 448 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 448 M C 1.990 177.963 176.300 -0.544 0.000 1.063 448 M CA 1.282 56.229 55.300 -0.587 0.000 1.090 448 M CB -0.044 32.198 32.600 -0.597 0.000 1.392 448 M HN 0.147 nan 8.290 nan 0.000 0.422 449 M N -0.882 118.327 119.600 -0.651 0.000 2.447 449 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 449 M C 2.079 178.122 176.300 -0.429 0.000 1.095 449 M CA 1.240 56.151 55.300 -0.647 0.000 1.125 449 M CB -0.559 31.409 32.600 -1.054 0.000 1.389 449 M HN 0.285 nan 8.290 nan 0.000 0.459 450 S N -1.276 114.205 115.700 -0.365 0.000 2.505 450 S HA 0.185 4.655 4.470 -0.000 0.000 0.216 450 S C 0.321 174.805 174.600 -0.193 0.000 1.018 450 S CA -0.409 57.650 58.200 -0.236 0.000 0.911 450 S CB 0.261 63.344 63.200 -0.196 0.000 0.818 450 S HN 0.410 nan 8.310 nan 0.000 0.497 451 E N 2.639 122.698 120.200 -0.235 0.000 2.186 451 E HA 0.298 4.648 4.350 -0.000 0.000 0.255 451 E C -2.272 174.186 176.600 -0.235 0.000 0.881 451 E CA -2.192 54.092 56.400 -0.194 0.000 0.752 451 E CB 1.897 31.493 29.700 -0.172 0.000 1.176 451 E HN 0.157 nan 8.360 nan 0.000 0.421 452 P HA -0.052 nan 4.420 nan 0.000 0.240 452 P C 0.311 177.510 177.300 -0.169 0.000 1.190 452 P CA 0.289 63.278 63.100 -0.185 0.000 0.781 452 P CB 0.521 32.152 31.700 -0.114 0.000 0.931 453 S N -0.514 115.116 115.700 -0.118 0.000 2.411 453 S HA 0.190 4.660 4.470 -0.000 0.000 0.294 453 S C 0.592 175.199 174.600 0.012 0.000 1.115 453 S CA -0.730 57.454 58.200 -0.027 0.000 1.071 453 S CB -0.235 62.970 63.200 0.008 0.000 0.967 453 S HN 0.083 nan 8.310 nan 0.000 0.488 454 W N 3.719 125.042 121.300 0.038 0.000 2.392 454 W HA -0.127 4.533 4.660 -0.000 0.000 0.279 454 W C 2.325 178.870 176.519 0.044 0.000 1.225 454 W CA 0.714 58.096 57.345 0.062 0.000 1.233 454 W CB 0.006 29.503 29.460 0.062 0.000 1.122 454 W HN 0.897 nan 8.180 nan 0.000 0.561 455 A N -0.338 122.642 122.820 0.266 0.000 1.933 455 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 455 A C 1.887 179.549 177.584 0.131 0.000 1.175 455 A CA 2.213 54.344 52.037 0.158 0.000 0.628 455 A CB -1.351 17.710 19.000 0.101 0.000 0.814 455 A HN 0.298 nan 8.150 nan 0.000 0.444 456 T N -3.305 111.319 114.554 0.118 0.000 3.088 456 T HA 0.224 4.574 4.350 -0.000 0.000 0.259 456 T C 1.466 176.249 174.700 0.137 0.000 1.122 456 T CA 1.012 63.168 62.100 0.093 0.000 1.095 456 T CB -0.046 68.850 68.868 0.047 0.000 0.930 456 T HN 0.251 nan 8.240 nan 0.000 0.508 457 L N 0.262 121.614 121.223 0.216 0.000 2.575 457 L HA 0.367 4.707 4.340 -0.000 0.000 0.228 457 L C 1.108 178.308 176.870 0.550 0.000 1.075 457 L CA -0.429 54.618 54.840 0.345 0.000 0.867 457 L CB 0.095 42.246 42.059 0.154 0.000 1.097 457 L HN 0.282 nan 8.230 nan 0.000 0.485 458 K N 1.178 121.771 120.400 0.322 0.000 2.508 458 K HA 0.065 4.385 4.320 -0.000 0.000 0.273 458 K C -2.428 173.825 176.600 -0.578 0.000 0.964 458 K CA -0.993 55.242 56.287 -0.086 0.000 0.948 458 K CB -0.635 31.829 32.500 -0.061 0.000 0.917 458 K HN -0.104 nan 8.250 nan 0.000 0.512 459 P HA 0.000 nan 4.420 nan 0.000 0.216 459 P CA 0.000 62.576 63.100 -0.873 0.000 0.800 459 P CB 0.000 31.197 31.700 -0.838 0.000 0.726