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 1nex_1_B DATA FIRST_RESID 270 DATA SEQUENCE LKRDLITSLP FEISLKIFNY LQFEDIINSL GVSQNWNKII RKSTSLWKKL DATA SEQUENCE LISENFVSPK GFNSLNLKLS QKYPKLSQQD RLRLSFLENI FILKNWYNPK DATA SEQUENCE FVPQRTTLRG HXTSVITCLQ FEDNYVITGA DDKXIRVYDS INKKFLLQLS DATA SEQUENCE GHDGGVWALK YAHGGILVSG STDRTVRVWD IKKGCCTHVF EGHNSTVRCL DATA SEQUENCE DIVEYKNIKY IVTGSRDNTL HVWKLPKXXX XXXXXXXXDY PLVFHTPEEN DATA SEQUENCE PYFVGVLRGH XASVRTVSGH GNIVVSGSYD NTLIVWDVAQ XKCLYILSGH DATA SEQUENCE TDRIYSTIYD HERKRCISAS XDTTIRIWDL EXXXXNGELX XXXXXXXXXX DATA SEQUENCE XXXXXXYTLQ GHTALVGLLR LSDKFLVSAA ADGSIRGWDA NDYSRKFSYH DATA SEQUENCE HTNLSAITTF YVSDNILVSG SENQFNIYNL RSGKLVHANI LKDADQIWSV DATA SEQUENCE NFKGKTLVAA VEKDGQSFLE ILDFS 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 270 L HA 0.000 nan 4.340 nan 0.000 0.249 270 L C 0.000 176.880 176.870 0.017 0.000 1.165 270 L CA 0.000 54.848 54.840 0.013 0.000 0.813 270 L CB 0.000 42.067 42.059 0.014 0.000 0.961 271 K N 2.506 122.919 120.400 0.020 0.000 2.229 271 K HA 0.367 4.687 4.320 -0.001 0.000 0.250 271 K C -0.366 176.255 176.600 0.035 0.000 1.016 271 K CA -0.330 55.974 56.287 0.028 0.000 0.866 271 K CB 0.223 32.741 32.500 0.030 0.000 1.028 271 K HN 0.638 nan 8.250 nan 0.000 0.514 272 R N 0.840 121.369 120.500 0.048 0.000 2.647 272 R HA -0.011 4.328 4.340 -0.001 0.000 0.260 272 R C -1.528 174.824 176.300 0.087 0.000 1.154 272 R CA -0.383 55.752 56.100 0.057 0.000 1.029 272 R CB 1.125 31.450 30.300 0.042 0.000 1.262 272 R HN 0.622 nan 8.270 nan 0.000 0.437 273 D N 6.068 126.537 120.400 0.114 0.000 2.541 273 D HA 0.028 4.668 4.640 -0.001 0.000 0.231 273 D C 1.282 177.666 176.300 0.141 0.000 1.163 273 D CA 0.088 54.200 54.000 0.187 0.000 1.077 273 D CB 0.319 41.255 40.800 0.227 0.000 1.110 273 D HN 0.555 nan 8.370 nan 0.000 0.499 274 L N 2.915 124.198 121.223 0.100 0.000 2.021 274 L HA -0.232 4.107 4.340 -0.001 0.000 0.215 274 L C 2.567 179.425 176.870 -0.021 0.000 1.074 274 L CA 0.960 55.817 54.840 0.028 0.000 0.760 274 L CB -0.374 41.686 42.059 0.001 0.000 0.889 274 L HN 0.451 nan 8.230 nan 0.000 0.433 275 I N -0.446 120.087 120.570 -0.062 0.000 2.208 275 I HA -0.335 3.834 4.170 -0.001 0.000 0.245 275 I C 2.303 178.340 176.117 -0.133 0.000 1.097 275 I CA 1.937 63.087 61.300 -0.251 0.000 1.363 275 I CB -0.120 37.442 38.000 -0.730 0.000 1.051 275 I HN 0.397 nan 8.210 nan 0.000 0.413 276 T N -0.581 113.978 114.554 0.008 0.000 2.896 276 T HA -0.062 4.288 4.350 -0.001 0.000 0.263 276 T C 1.946 176.680 174.700 0.057 0.000 1.050 276 T CA 1.330 63.471 62.100 0.068 0.000 1.140 276 T CB -0.017 68.943 68.868 0.153 0.000 0.877 276 T HN 0.284 nan 8.240 nan 0.000 0.457 277 S N 0.778 116.508 115.700 0.050 0.000 2.414 277 S HA 0.158 4.627 4.470 -0.001 0.000 0.227 277 S C 0.786 175.400 174.600 0.024 0.000 1.022 277 S CA 0.219 58.443 58.200 0.040 0.000 0.958 277 S CB -0.181 63.043 63.200 0.040 0.000 0.797 277 S HN 0.173 nan 8.310 nan 0.000 0.493 278 L N 2.033 123.258 121.223 0.003 0.000 2.476 278 L HA 0.308 4.647 4.340 -0.001 0.000 0.264 278 L C -2.300 174.578 176.870 0.012 0.000 1.224 278 L CA -1.824 53.010 54.840 -0.009 0.000 0.821 278 L CB -0.860 41.170 42.059 -0.048 0.000 1.101 278 L HN -0.029 nan 8.230 nan 0.000 0.488 279 P HA 0.050 nan 4.420 nan 0.000 0.275 279 P C 0.642 177.981 177.300 0.066 0.000 1.227 279 P CA -0.301 62.831 63.100 0.053 0.000 0.781 279 P CB 0.418 32.141 31.700 0.038 0.000 0.906 280 F N 3.317 123.257 119.950 -0.017 0.000 2.053 280 F HA -0.350 4.176 4.527 -0.001 0.000 0.295 280 F C 1.915 177.704 175.800 -0.019 0.000 1.102 280 F CA 2.177 60.167 58.000 -0.016 0.000 1.225 280 F CB -0.610 38.383 39.000 -0.011 0.000 0.961 280 F HN 0.357 nan 8.300 nan 0.000 0.495 281 E N 0.318 120.433 120.200 -0.140 0.000 2.097 281 E HA -0.226 4.124 4.350 -0.001 0.000 0.196 281 E C 2.187 178.649 176.600 -0.231 0.000 1.000 281 E CA 2.025 58.295 56.400 -0.217 0.000 0.804 281 E CB -0.586 29.083 29.700 -0.052 0.000 0.740 281 E HN 0.571 nan 8.360 nan 0.000 0.454 282 I N -0.057 120.422 120.570 -0.152 0.000 2.315 282 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 282 I C 2.156 178.163 176.117 -0.183 0.000 1.117 282 I CA 0.898 62.118 61.300 -0.133 0.000 1.404 282 I CB -0.104 37.848 38.000 -0.081 0.000 1.071 282 I HN -0.029 nan 8.210 nan 0.000 0.419 283 S N 0.330 115.902 115.700 -0.214 0.000 2.382 283 S HA -0.078 4.391 4.470 -0.001 0.000 0.228 283 S C 1.994 176.463 174.600 -0.218 0.000 1.027 283 S CA 1.081 59.139 58.200 -0.237 0.000 0.991 283 S CB -0.304 62.795 63.200 -0.168 0.000 0.823 283 S HN 0.346 nan 8.310 nan 0.000 0.469 284 L N 1.071 122.122 121.223 -0.287 0.000 2.131 284 L HA -0.128 4.211 4.340 -0.001 0.000 0.210 284 L C 2.292 179.028 176.870 -0.224 0.000 1.092 284 L CA 1.161 55.859 54.840 -0.237 0.000 0.759 284 L CB -0.410 41.378 42.059 -0.453 0.000 0.903 284 L HN 0.303 nan 8.230 nan 0.000 0.435 285 K N 0.140 120.388 120.400 -0.254 0.000 2.097 285 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 285 K C 2.028 178.438 176.600 -0.316 0.000 1.050 285 K CA 1.104 57.208 56.287 -0.305 0.000 0.938 285 K CB -0.105 32.278 32.500 -0.195 0.000 0.718 285 K HN 0.256 nan 8.250 nan 0.000 0.442 286 I N 0.372 120.805 120.570 -0.228 0.000 2.163 286 I HA -0.276 3.893 4.170 -0.001 0.000 0.243 286 I C 1.948 177.868 176.117 -0.328 0.000 1.085 286 I CA 1.465 62.625 61.300 -0.233 0.000 1.347 286 I CB -0.324 37.411 38.000 -0.441 0.000 1.044 286 I HN 0.027 nan 8.210 nan 0.000 0.408 287 F N 1.017 120.856 119.950 -0.184 0.000 2.293 287 F HA -0.140 4.387 4.527 -0.001 0.000 0.300 287 F C 2.228 177.893 175.800 -0.225 0.000 1.086 287 F CA 1.041 58.926 58.000 -0.191 0.000 1.375 287 F CB -0.753 38.102 39.000 -0.241 0.000 1.045 287 F HN 0.137 nan 8.300 nan 0.000 0.516 288 N N -1.078 117.516 118.700 -0.176 0.000 2.550 288 N HA -0.139 4.600 4.740 -0.001 0.000 0.186 288 N C 0.644 175.989 175.510 -0.276 0.000 1.110 288 N CA 0.712 53.591 53.050 -0.286 0.000 0.912 288 N CB -0.180 38.057 38.487 -0.417 0.000 0.968 288 N HN 0.294 nan 8.380 nan 0.000 0.448 289 Y N 0.185 120.429 120.300 -0.092 0.000 2.524 289 Y HA 0.363 4.912 4.550 -0.001 0.000 0.266 289 Y C 0.434 176.296 175.900 -0.062 0.000 1.180 289 Y CA -0.128 57.923 58.100 -0.081 0.000 1.244 289 Y CB 0.290 38.690 38.460 -0.101 0.000 1.125 289 Y HN -0.144 nan 8.280 nan 0.000 0.524 290 L N 0.360 121.628 121.223 0.075 0.000 2.342 290 L HA 0.407 4.747 4.340 -0.001 0.000 0.271 290 L C -0.204 176.691 176.870 0.043 0.000 1.008 290 L CA -0.999 53.878 54.840 0.062 0.000 0.818 290 L CB 1.933 44.043 42.059 0.085 0.000 1.296 290 L HN -0.033 nan 8.230 nan 0.000 0.427 291 Q N 1.342 121.164 119.800 0.036 0.000 2.373 291 Q HA 0.075 4.414 4.340 -0.001 0.000 0.255 291 Q C 0.838 176.848 176.000 0.018 0.000 0.980 291 Q CA -0.252 55.574 55.803 0.040 0.000 0.882 291 Q CB 0.858 29.593 28.738 -0.006 0.000 1.249 291 Q HN 0.623 nan 8.270 nan 0.000 0.438 292 F N 1.416 121.396 119.950 0.050 0.000 2.111 292 F HA -0.317 4.209 4.527 -0.001 0.000 0.300 292 F C 1.266 177.172 175.800 0.176 0.000 1.088 292 F CA 1.942 59.984 58.000 0.070 0.000 1.243 292 F CB -0.345 38.761 39.000 0.177 0.000 0.996 292 F HN 0.536 nan 8.300 nan 0.000 0.483 293 E N 0.797 120.501 120.200 -0.825 0.000 2.070 293 E HA -0.218 4.132 4.350 -0.001 0.000 0.197 293 E C 1.861 178.429 176.600 -0.053 0.000 1.004 293 E CA 1.860 57.990 56.400 -0.450 0.000 0.805 293 E CB -0.585 28.822 29.700 -0.489 0.000 0.744 293 E HN 0.543 nan 8.360 nan 0.000 0.451 294 D N 0.101 120.486 120.400 -0.025 0.000 2.178 294 D HA -0.115 4.524 4.640 -0.001 0.000 0.201 294 D C 1.916 178.330 176.300 0.190 0.000 0.980 294 D CA 0.766 54.820 54.000 0.089 0.000 0.842 294 D CB -0.083 40.769 40.800 0.086 0.000 0.948 294 D HN 0.245 nan 8.370 nan 0.000 0.472 295 I N 0.364 121.043 120.570 0.182 0.000 2.315 295 I HA -0.187 3.983 4.170 -0.001 0.000 0.248 295 I C 2.276 178.546 176.117 0.255 0.000 1.117 295 I CA 0.635 62.058 61.300 0.206 0.000 1.404 295 I CB -0.227 37.809 38.000 0.059 0.000 1.071 295 I HN -0.063 nan 8.210 nan 0.000 0.419 296 I N 1.120 121.867 120.570 0.295 0.000 2.252 296 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 296 I C 2.338 178.582 176.117 0.211 0.000 1.102 296 I CA 1.354 62.830 61.300 0.293 0.000 1.385 296 I CB -0.466 37.734 38.000 0.334 0.000 1.064 296 I HN 0.234 nan 8.210 nan 0.000 0.414 297 N N -0.057 118.752 118.700 0.182 0.000 2.188 297 N HA -0.134 4.605 4.740 -0.001 0.000 0.184 297 N C 1.956 177.559 175.510 0.154 0.000 1.018 297 N CA 1.549 54.681 53.050 0.137 0.000 0.858 297 N CB -0.099 38.453 38.487 0.108 0.000 0.989 297 N HN 0.274 nan 8.380 nan 0.000 0.426 298 S N 1.546 117.402 115.700 0.261 0.000 2.382 298 S HA -0.043 4.427 4.470 -0.001 0.000 0.228 298 S C 2.024 176.830 174.600 0.343 0.000 1.027 298 S CA 0.548 59.007 58.200 0.431 0.000 0.991 298 S CB -0.227 63.411 63.200 0.730 0.000 0.823 298 S HN 0.221 nan 8.310 nan 0.000 0.469 299 L N 0.839 122.205 121.223 0.238 0.000 2.349 299 L HA -0.060 4.279 4.340 -0.001 0.000 0.220 299 L C 1.946 178.898 176.870 0.136 0.000 1.130 299 L CA 1.037 55.987 54.840 0.185 0.000 0.791 299 L CB -0.270 41.891 42.059 0.170 0.000 0.918 299 L HN 0.410 nan 8.230 nan 0.000 0.444 300 G N -2.725 106.134 108.800 0.099 0.000 3.575 300 G HA2 0.172 4.132 3.960 -0.001 0.000 0.273 300 G HA3 0.172 4.132 3.960 -0.001 0.000 0.273 300 G C 1.099 175.980 174.900 -0.033 0.000 1.053 300 G CA -0.089 45.036 45.100 0.040 0.000 0.803 300 G HN 0.088 nan 8.290 nan 0.000 0.528 301 V N 0.709 120.567 119.914 -0.095 0.000 2.488 301 V HA 0.137 4.257 4.120 -0.001 0.000 0.246 301 V C 1.348 177.266 176.094 -0.293 0.000 1.046 301 V CA 1.806 63.907 62.300 -0.331 0.000 1.053 301 V CB 0.084 31.399 31.823 -0.847 0.000 0.679 301 V HN 0.588 nan 8.190 nan 0.000 0.458 302 S N -3.308 112.305 115.700 -0.145 0.000 2.615 302 S HA 0.242 4.712 4.470 -0.001 0.000 0.268 302 S C -0.001 174.654 174.600 0.092 0.000 1.146 302 S CA -0.656 57.522 58.200 -0.038 0.000 0.818 302 S CB 1.469 64.631 63.200 -0.064 0.000 1.111 302 S HN -0.043 nan 8.310 nan 0.000 0.465 303 Q N 1.099 120.951 119.800 0.087 0.000 2.124 303 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 303 Q C 1.663 177.751 176.000 0.145 0.000 0.977 303 Q CA 1.611 57.473 55.803 0.099 0.000 0.850 303 Q CB -0.541 28.239 28.738 0.070 0.000 0.901 303 Q HN 0.762 nan 8.270 nan 0.000 0.429 304 N N -0.542 118.275 118.700 0.195 0.000 2.171 304 N HA -0.136 4.604 4.740 -0.001 0.000 0.184 304 N C 1.492 177.178 175.510 0.293 0.000 1.021 304 N CA 0.726 53.909 53.050 0.221 0.000 0.854 304 N CB -0.008 38.618 38.487 0.231 0.000 0.994 304 N HN 0.219 nan 8.380 nan 0.000 0.426 305 W N 1.994 123.342 121.300 0.080 0.000 2.358 305 W HA -0.067 4.592 4.660 -0.001 0.000 0.303 305 W C 2.371 178.909 176.519 0.033 0.000 1.208 305 W CA 0.904 58.301 57.345 0.086 0.000 1.274 305 W CB -1.189 28.336 29.460 0.108 0.000 1.138 305 W HN 0.214 nan 8.180 nan 0.000 0.515 306 N N 0.766 119.635 118.700 0.282 0.000 2.069 306 N HA -0.232 4.507 4.740 -0.001 0.000 0.191 306 N C 1.770 177.351 175.510 0.118 0.000 1.031 306 N CA 2.190 55.338 53.050 0.163 0.000 0.852 306 N CB -0.538 38.025 38.487 0.126 0.000 1.018 306 N HN 0.104 nan 8.380 nan 0.000 0.423 307 K N 0.266 120.736 120.400 0.117 0.000 2.026 307 K HA -0.079 4.241 4.320 -0.001 0.000 0.208 307 K C 2.107 178.760 176.600 0.089 0.000 1.048 307 K CA 1.252 57.590 56.287 0.084 0.000 0.929 307 K CB -0.271 32.272 32.500 0.071 0.000 0.713 307 K HN 0.258 nan 8.250 nan 0.000 0.439 308 I N 1.193 121.830 120.570 0.113 0.000 2.208 308 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 308 I C 2.321 178.523 176.117 0.142 0.000 1.097 308 I CA 1.280 62.686 61.300 0.177 0.000 1.363 308 I CB -0.184 37.902 38.000 0.143 0.000 1.051 308 I HN 0.212 nan 8.210 nan 0.000 0.413 309 I N 0.197 120.750 120.570 -0.028 0.000 2.286 309 I HA -0.199 3.971 4.170 -0.001 0.000 0.245 309 I C 2.347 178.523 176.117 0.098 0.000 1.104 309 I CA 1.048 62.279 61.300 -0.116 0.000 1.397 309 I CB -0.395 37.455 38.000 -0.250 0.000 1.072 309 I HN 0.163 nan 8.210 nan 0.000 0.417 310 R N 1.035 121.609 120.500 0.123 0.000 2.316 310 R HA -0.126 4.214 4.340 -0.001 0.000 0.202 310 R C 1.955 178.336 176.300 0.135 0.000 1.029 310 R CA 0.522 56.710 56.100 0.146 0.000 1.018 310 R CB -0.276 30.076 30.300 0.085 0.000 0.888 310 R HN 0.380 nan 8.270 nan 0.000 0.471 311 K N 0.794 121.276 120.400 0.137 0.000 2.365 311 K HA 0.020 4.340 4.320 -0.001 0.000 0.197 311 K C 0.488 177.202 176.600 0.190 0.000 1.042 311 K CA 0.226 56.580 56.287 0.112 0.000 0.987 311 K CB 0.300 32.813 32.500 0.023 0.000 0.779 311 K HN -0.111 nan 8.250 nan 0.000 0.484 312 S N -0.431 115.411 115.700 0.237 0.000 2.525 312 S HA 0.145 4.615 4.470 -0.001 0.000 0.278 312 S C 0.479 175.210 174.600 0.219 0.000 1.234 312 S CA -0.605 57.721 58.200 0.210 0.000 1.058 312 S CB 1.594 64.846 63.200 0.087 0.000 0.983 312 S HN 0.244 nan 8.310 nan 0.000 0.495 313 T N 3.285 117.946 114.554 0.178 0.000 3.034 313 T HA 0.073 4.423 4.350 -0.001 0.000 0.248 313 T C 2.005 176.794 174.700 0.149 0.000 1.040 313 T CA 0.464 62.693 62.100 0.216 0.000 1.107 313 T CB -0.072 68.911 68.868 0.191 0.000 0.932 313 T HN 0.556 nan 8.240 nan 0.000 0.474 314 S N 1.874 117.599 115.700 0.041 0.000 2.356 314 S HA -0.067 4.402 4.470 -0.001 0.000 0.223 314 S C 1.920 176.445 174.600 -0.125 0.000 1.032 314 S CA 0.820 58.989 58.200 -0.051 0.000 1.005 314 S CB -0.504 62.647 63.200 -0.081 0.000 0.867 314 S HN 0.238 nan 8.310 nan 0.000 0.449 315 L N 0.617 121.710 121.223 -0.217 0.000 1.991 315 L HA -0.196 4.143 4.340 -0.001 0.000 0.221 315 L C 1.919 178.420 176.870 -0.615 0.000 1.079 315 L CA 2.004 56.548 54.840 -0.494 0.000 0.778 315 L CB -0.765 40.870 42.059 -0.708 0.000 0.893 315 L HN 0.487 nan 8.230 nan 0.000 0.437 316 W N -0.589 120.678 121.300 -0.055 0.000 2.453 316 W HA -0.033 4.627 4.660 -0.001 0.000 0.289 316 W C 2.640 179.182 176.519 0.037 0.000 1.215 316 W CA 0.948 58.260 57.345 -0.056 0.000 1.297 316 W CB -0.413 29.049 29.460 0.003 0.000 1.113 316 W HN 0.094 nan 8.180 nan 0.000 0.551 317 K N 1.535 122.073 120.400 0.229 0.000 2.032 317 K HA -0.247 4.073 4.320 -0.001 0.000 0.209 317 K C 1.841 178.483 176.600 0.069 0.000 1.048 317 K CA 1.812 58.215 56.287 0.193 0.000 0.927 317 K CB -0.252 32.223 32.500 -0.042 0.000 0.712 317 K HN 0.048 nan 8.250 nan 0.000 0.441 318 K N 0.607 120.983 120.400 -0.040 0.000 2.001 318 K HA -0.176 4.144 4.320 -0.001 0.000 0.214 318 K C 2.266 178.852 176.600 -0.024 0.000 1.050 318 K CA 2.015 58.260 56.287 -0.070 0.000 0.934 318 K CB -0.338 32.081 32.500 -0.135 0.000 0.718 318 K HN 0.135 nan 8.250 nan 0.000 0.443 319 L N 1.044 122.225 121.223 -0.071 0.000 1.978 319 L HA -0.288 4.051 4.340 -0.001 0.000 0.218 319 L C 2.475 179.501 176.870 0.259 0.000 1.075 319 L CA 1.413 56.233 54.840 -0.033 0.000 0.767 319 L CB -0.615 41.153 42.059 -0.485 0.000 0.890 319 L HN 0.234 nan 8.230 nan 0.000 0.434 320 L N -0.555 120.908 121.223 0.401 0.000 2.034 320 L HA -0.318 4.021 4.340 -0.001 0.000 0.217 320 L C 2.458 179.458 176.870 0.217 0.000 1.077 320 L CA 1.653 56.794 54.840 0.502 0.000 0.769 320 L CB -0.465 41.883 42.059 0.482 0.000 0.890 320 L HN 0.295 nan 8.230 nan 0.000 0.435 321 I N -1.364 119.290 120.570 0.140 0.000 2.286 321 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 321 I C 2.554 178.658 176.117 -0.020 0.000 1.104 321 I CA 0.944 62.272 61.300 0.047 0.000 1.397 321 I CB -0.280 37.734 38.000 0.024 0.000 1.072 321 I HN 0.186 nan 8.210 nan 0.000 0.417 322 S N 0.609 116.307 115.700 -0.005 0.000 2.370 322 S HA -0.167 4.302 4.470 -0.001 0.000 0.226 322 S C 1.683 176.233 174.600 -0.084 0.000 1.033 322 S CA 1.269 59.456 58.200 -0.023 0.000 1.011 322 S CB -0.233 62.977 63.200 0.017 0.000 0.852 322 S HN 0.428 nan 8.310 nan 0.000 0.457 323 E N 1.190 121.285 120.200 -0.174 0.000 2.489 323 E HA 0.106 4.456 4.350 -0.001 0.000 0.193 323 E C -0.246 175.921 176.600 -0.721 0.000 1.057 323 E CA -0.058 56.038 56.400 -0.507 0.000 0.866 323 E CB -0.287 28.895 29.700 -0.863 0.000 0.916 323 E HN 0.424 nan 8.360 nan 0.000 0.500 324 N N 0.048 118.514 118.700 -0.390 0.000 2.756 324 N HA -0.198 4.542 4.740 -0.001 0.000 0.248 324 N C 0.023 175.419 175.510 -0.189 0.000 1.062 324 N CA 0.528 53.439 53.050 -0.233 0.000 0.696 324 N CB -1.832 36.557 38.487 -0.163 0.000 0.946 324 N HN 0.285 nan 8.380 nan 0.000 0.548 325 F N -0.840 119.129 119.950 0.032 0.000 2.746 325 F HA 0.269 4.796 4.527 -0.001 0.000 0.297 325 F C 1.290 177.117 175.800 0.045 0.000 1.113 325 F CA -0.201 57.807 58.000 0.012 0.000 1.367 325 F CB 0.885 39.883 39.000 -0.003 0.000 1.111 325 F HN 0.063 nan 8.300 nan 0.000 0.590 326 V N -0.646 119.397 119.914 0.215 0.000 3.242 326 V HA 0.502 4.621 4.120 -0.001 0.000 0.298 326 V C -1.137 175.036 176.094 0.132 0.000 1.352 326 V CA -0.619 61.788 62.300 0.177 0.000 1.052 326 V CB 2.360 34.324 31.823 0.236 0.000 1.101 326 V HN 0.016 nan 8.190 nan 0.000 0.446 327 S N 3.467 119.238 115.700 0.118 0.000 2.638 327 S HA 0.713 5.182 4.470 -0.001 0.000 0.302 327 S C -2.306 172.359 174.600 0.108 0.000 1.096 327 S CA -1.210 57.035 58.200 0.075 0.000 0.953 327 S CB 1.952 65.172 63.200 0.033 0.000 1.107 327 S HN 0.526 nan 8.310 nan 0.000 0.503 328 P HA -0.146 nan 4.420 nan 0.000 0.216 328 P C 1.160 178.525 177.300 0.108 0.000 1.154 328 P CA 1.396 64.530 63.100 0.056 0.000 0.865 328 P CB 0.088 31.788 31.700 0.001 0.000 0.789 329 K N -1.127 119.321 120.400 0.081 0.000 2.057 329 K HA 0.012 4.332 4.320 -0.001 0.000 0.206 329 K C 2.223 178.892 176.600 0.115 0.000 1.050 329 K CA 1.739 58.078 56.287 0.087 0.000 0.935 329 K CB -1.435 31.096 32.500 0.053 0.000 0.715 329 K HN 0.213 nan 8.250 nan 0.000 0.439 330 G N 0.128 108.998 108.800 0.118 0.000 2.813 330 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.209 330 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.209 330 G C 1.274 176.255 174.900 0.136 0.000 1.150 330 G CA -0.280 44.885 45.100 0.108 0.000 0.785 330 G HN 0.115 nan 8.290 nan 0.000 0.535 331 F N 2.668 122.646 119.950 0.047 0.000 2.000 331 F HA -0.233 4.294 4.527 -0.001 0.000 0.296 331 F C 2.419 178.251 175.800 0.053 0.000 1.159 331 F CA 2.109 60.142 58.000 0.055 0.000 1.183 331 F CB -0.399 38.632 39.000 0.051 0.000 0.959 331 F HN 0.084 nan 8.300 nan 0.000 0.490 332 N N 0.160 118.939 118.700 0.132 0.000 2.073 332 N HA -0.283 4.456 4.740 -0.001 0.000 0.199 332 N C 2.158 177.617 175.510 -0.086 0.000 1.023 332 N CA 1.844 54.896 53.050 0.003 0.000 0.880 332 N CB -1.264 37.291 38.487 0.113 0.000 1.052 332 N HN 0.422 nan 8.380 nan 0.000 0.449 333 S N 0.387 116.069 115.700 -0.031 0.000 2.383 333 S HA -0.096 4.373 4.470 -0.001 0.000 0.229 333 S C 1.907 176.456 174.600 -0.084 0.000 1.030 333 S CA 0.827 59.004 58.200 -0.038 0.000 1.002 333 S CB -0.369 62.828 63.200 -0.004 0.000 0.829 333 S HN 0.294 nan 8.310 nan 0.000 0.467 334 L N 2.283 123.431 121.223 -0.125 0.000 1.989 334 L HA -0.124 4.216 4.340 -0.001 0.000 0.211 334 L C 1.936 178.695 176.870 -0.185 0.000 1.071 334 L CA 2.336 57.089 54.840 -0.145 0.000 0.749 334 L CB -1.310 40.644 42.059 -0.175 0.000 0.890 334 L HN 0.408 nan 8.230 nan 0.000 0.431 335 N N -1.049 117.459 118.700 -0.320 0.000 2.036 335 N HA -0.270 4.469 4.740 -0.001 0.000 0.195 335 N C 1.859 177.301 175.510 -0.113 0.000 1.037 335 N CA 1.504 54.404 53.050 -0.251 0.000 0.855 335 N CB -0.265 38.033 38.487 -0.316 0.000 1.033 335 N HN 0.320 nan 8.380 nan 0.000 0.423 336 L N 2.059 123.227 121.223 -0.092 0.000 1.990 336 L HA -0.224 4.115 4.340 -0.001 0.000 0.213 336 L C 2.220 179.061 176.870 -0.048 0.000 1.072 336 L CA 1.795 56.605 54.840 -0.050 0.000 0.755 336 L CB -0.503 41.533 42.059 -0.038 0.000 0.889 336 L HN 0.083 nan 8.230 nan 0.000 0.432 337 K N -0.841 119.524 120.400 -0.058 0.000 2.097 337 K HA -0.182 4.137 4.320 -0.001 0.000 0.206 337 K C 2.116 178.681 176.600 -0.059 0.000 1.049 337 K CA 1.618 57.870 56.287 -0.058 0.000 0.933 337 K CB -0.198 32.267 32.500 -0.058 0.000 0.717 337 K HN 0.402 nan 8.250 nan 0.000 0.442 338 L N 0.271 121.475 121.223 -0.031 0.000 2.156 338 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 338 L C 2.602 179.511 176.870 0.065 0.000 1.095 338 L CA 1.054 55.920 54.840 0.043 0.000 0.770 338 L CB -0.319 41.785 42.059 0.075 0.000 0.914 338 L HN 0.259 nan 8.230 nan 0.000 0.439 339 S N -0.609 115.104 115.700 0.021 0.000 2.406 339 S HA -0.172 4.297 4.470 -0.001 0.000 0.228 339 S C 1.887 176.483 174.600 -0.006 0.000 1.020 339 S CA 1.023 59.239 58.200 0.028 0.000 0.965 339 S CB 0.014 63.221 63.200 0.010 0.000 0.798 339 S HN 0.468 nan 8.310 nan 0.000 0.488 340 Q N 0.339 120.114 119.800 -0.042 0.000 2.172 340 Q HA -0.011 4.329 4.340 -0.001 0.000 0.200 340 Q C 2.190 178.118 176.000 -0.119 0.000 0.964 340 Q CA 0.943 56.710 55.803 -0.060 0.000 0.855 340 Q CB -0.155 28.549 28.738 -0.057 0.000 0.918 340 Q HN 0.489 nan 8.270 nan 0.000 0.444 341 K N 0.261 120.536 120.400 -0.208 0.000 2.062 341 K HA -0.076 4.244 4.320 -0.001 0.000 0.205 341 K C -0.258 175.975 176.600 -0.612 0.000 1.051 341 K CA 0.823 56.826 56.287 -0.473 0.000 0.941 341 K CB 0.384 32.484 32.500 -0.667 0.000 0.719 341 K HN 0.091 nan 8.250 nan 0.000 0.440 342 Y N 0.071 120.358 120.300 -0.022 0.000 2.787 342 Y HA 0.281 4.831 4.550 -0.001 0.000 0.352 342 Y C -2.185 173.705 175.900 -0.016 0.000 1.027 342 Y CA -2.672 55.415 58.100 -0.020 0.000 1.219 342 Y CB 1.513 39.958 38.460 -0.026 0.000 1.110 342 Y HN 0.104 nan 8.280 nan 0.000 0.614 343 P HA -0.159 nan 4.420 nan 0.000 0.214 343 P C 0.767 178.104 177.300 0.061 0.000 1.163 343 P CA 1.787 64.920 63.100 0.055 0.000 0.883 343 P CB 0.358 32.075 31.700 0.029 0.000 0.788 344 K N -1.111 119.328 120.400 0.065 0.000 2.525 344 K HA 0.077 4.396 4.320 -0.001 0.000 0.192 344 K C 0.619 177.242 176.600 0.039 0.000 1.029 344 K CA 0.166 56.481 56.287 0.046 0.000 1.029 344 K CB -0.349 32.175 32.500 0.040 0.000 0.814 344 K HN 0.210 nan 8.250 nan 0.000 0.503 345 L N 0.801 122.056 121.223 0.054 0.000 2.387 345 L HA 0.194 4.533 4.340 -0.001 0.000 0.266 345 L C 0.592 177.471 176.870 0.016 0.000 1.059 345 L CA -0.740 54.107 54.840 0.013 0.000 0.801 345 L CB 1.540 43.584 42.059 -0.024 0.000 1.223 345 L HN 0.059 nan 8.230 nan 0.000 0.456 346 S N -0.497 115.200 115.700 -0.005 0.000 2.687 346 S HA 0.159 4.628 4.470 -0.001 0.000 0.283 346 S C 0.522 175.130 174.600 0.013 0.000 1.170 346 S CA -0.642 57.565 58.200 0.011 0.000 1.008 346 S CB 1.704 64.911 63.200 0.011 0.000 1.026 346 S HN 0.727 nan 8.310 nan 0.000 0.541 347 Q N 0.380 120.202 119.800 0.038 0.000 2.112 347 Q HA -0.277 4.063 4.340 -0.001 0.000 0.206 347 Q C 1.777 177.816 176.000 0.065 0.000 0.987 347 Q CA 2.143 57.980 55.803 0.058 0.000 0.858 347 Q CB -0.310 28.483 28.738 0.091 0.000 0.905 347 Q HN 0.840 nan 8.270 nan 0.000 0.420 348 Q N 0.839 120.683 119.800 0.074 0.000 1.948 348 Q HA -0.168 4.172 4.340 -0.001 0.000 0.205 348 Q C 1.888 177.853 176.000 -0.058 0.000 0.992 348 Q CA 1.949 57.809 55.803 0.096 0.000 0.849 348 Q CB -0.260 28.553 28.738 0.125 0.000 0.918 348 Q HN 0.440 nan 8.270 nan 0.000 0.421 349 D N 0.021 120.367 120.400 -0.090 0.000 2.190 349 D HA -0.156 4.483 4.640 -0.001 0.000 0.200 349 D C 1.884 178.037 176.300 -0.246 0.000 0.992 349 D CA 0.930 54.813 54.000 -0.194 0.000 0.854 349 D CB -0.098 40.620 40.800 -0.137 0.000 0.936 349 D HN 0.206 nan 8.370 nan 0.000 0.462 350 R N 0.216 120.624 120.500 -0.154 0.000 2.070 350 R HA -0.036 4.303 4.340 -0.001 0.000 0.232 350 R C 2.668 178.893 176.300 -0.126 0.000 1.138 350 R CA 0.665 56.681 56.100 -0.139 0.000 0.936 350 R CB -0.459 29.830 30.300 -0.017 0.000 0.839 350 R HN 0.180 nan 8.270 nan 0.000 0.429 351 L N 0.283 121.469 121.223 -0.062 0.000 2.081 351 L HA -0.237 4.103 4.340 -0.001 0.000 0.212 351 L C 2.793 179.589 176.870 -0.123 0.000 1.080 351 L CA 1.476 56.329 54.840 0.021 0.000 0.754 351 L CB -0.413 41.772 42.059 0.209 0.000 0.893 351 L HN 0.248 nan 8.230 nan 0.000 0.433 352 R N 0.032 120.199 120.500 -0.555 0.000 2.092 352 R HA -0.162 4.177 4.340 -0.001 0.000 0.231 352 R C 2.346 178.381 176.300 -0.442 0.000 1.119 352 R CA 0.987 56.477 56.100 -1.015 0.000 0.970 352 R CB -0.138 29.209 30.300 -1.588 0.000 0.864 352 R HN 0.248 nan 8.270 nan 0.000 0.440 353 L N 0.561 121.586 121.223 -0.330 0.000 2.046 353 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 353 L C 2.198 179.002 176.870 -0.109 0.000 1.077 353 L CA 2.176 56.876 54.840 -0.233 0.000 0.747 353 L CB -1.019 40.811 42.059 -0.382 0.000 0.896 353 L HN 0.336 nan 8.230 nan 0.000 0.432 354 S N -0.662 114.999 115.700 -0.065 0.000 2.359 354 S HA -0.269 4.201 4.470 -0.001 0.000 0.224 354 S C 2.035 176.612 174.600 -0.037 0.000 1.035 354 S CA 1.665 59.858 58.200 -0.012 0.000 1.018 354 S CB -0.526 62.698 63.200 0.041 0.000 0.876 354 S HN 0.482 nan 8.310 nan 0.000 0.448 355 F N 1.949 121.851 119.950 -0.079 0.000 2.075 355 F HA 0.006 4.532 4.527 -0.001 0.000 0.297 355 F C 1.943 177.642 175.800 -0.168 0.000 1.113 355 F CA 1.645 59.621 58.000 -0.039 0.000 1.218 355 F CB -0.498 38.600 39.000 0.164 0.000 0.984 355 F HN 0.185 nan 8.300 nan 0.000 0.472 356 L N 0.231 121.507 121.223 0.089 0.000 2.081 356 L HA -0.261 4.078 4.340 -0.001 0.000 0.212 356 L C 2.508 179.396 176.870 0.030 0.000 1.080 356 L CA 2.059 56.936 54.840 0.060 0.000 0.754 356 L CB -0.851 41.340 42.059 0.219 0.000 0.893 356 L HN 0.332 nan 8.230 nan 0.000 0.433 357 E N 0.351 120.527 120.200 -0.041 0.000 2.106 357 E HA -0.211 4.138 4.350 -0.001 0.000 0.192 357 E C 1.846 178.321 176.600 -0.209 0.000 0.984 357 E CA 1.445 57.824 56.400 -0.036 0.000 0.806 357 E CB 0.066 29.744 29.700 -0.037 0.000 0.750 357 E HN 0.519 nan 8.360 nan 0.000 0.458 358 N N -0.106 118.289 118.700 -0.507 0.000 2.109 358 N HA -0.113 4.626 4.740 -0.001 0.000 0.188 358 N C 1.806 176.756 175.510 -0.934 0.000 1.034 358 N CA 0.858 53.340 53.050 -0.947 0.000 0.846 358 N CB -0.065 37.338 38.487 -1.805 0.000 1.010 358 N HN 0.106 nan 8.380 nan 0.000 0.425 359 I N 0.224 120.200 120.570 -0.990 0.000 2.530 359 I HA -0.186 3.983 4.170 -0.001 0.000 0.257 359 I C 0.747 176.500 176.117 -0.605 0.000 1.179 359 I CA 1.260 62.090 61.300 -0.784 0.000 1.440 359 I CB -0.210 36.971 38.000 -1.366 0.000 1.087 359 I HN 0.119 nan 8.210 nan 0.000 0.440 360 F N -0.594 119.222 119.950 -0.223 0.000 2.569 360 F HA 0.118 4.644 4.527 -0.001 0.000 0.295 360 F C 2.217 177.964 175.800 -0.088 0.000 1.115 360 F CA 0.692 58.638 58.000 -0.090 0.000 1.450 360 F CB -0.514 38.460 39.000 -0.043 0.000 1.107 360 F HN -0.020 nan 8.300 nan 0.000 0.563 361 I N -0.794 119.782 120.570 0.011 0.000 2.406 361 I HA -0.223 3.946 4.170 -0.001 0.000 0.249 361 I C 2.295 178.466 176.117 0.090 0.000 1.122 361 I CA 0.622 61.954 61.300 0.053 0.000 1.431 361 I CB -0.234 37.801 38.000 0.058 0.000 1.087 361 I HN 0.070 nan 8.210 nan 0.000 0.424 362 L N 0.838 122.027 121.223 -0.056 0.000 2.141 362 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 362 L C 2.346 179.116 176.870 -0.166 0.000 1.094 362 L CA 1.839 56.567 54.840 -0.186 0.000 0.763 362 L CB -0.680 41.265 42.059 -0.191 0.000 0.908 362 L HN 0.033 nan 8.230 nan 0.000 0.437 363 K N -0.092 120.288 120.400 -0.033 0.000 2.057 363 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 363 K C 1.918 178.561 176.600 0.071 0.000 1.049 363 K CA 1.844 58.185 56.287 0.090 0.000 0.931 363 K CB -0.506 32.106 32.500 0.187 0.000 0.714 363 K HN 0.592 nan 8.250 nan 0.000 0.440 364 N N -0.532 118.115 118.700 -0.087 0.000 2.106 364 N HA -0.164 4.576 4.740 -0.001 0.000 0.188 364 N C 1.862 177.231 175.510 -0.234 0.000 1.029 364 N CA 1.011 53.752 53.050 -0.515 0.000 0.848 364 N CB -0.177 37.658 38.487 -1.087 0.000 1.007 364 N HN 0.231 nan 8.380 nan 0.000 0.423 365 W N 0.661 121.840 121.300 -0.202 0.000 2.338 365 W HA -0.157 4.502 4.660 -0.001 0.000 0.304 365 W C 1.658 178.245 176.519 0.115 0.000 1.212 365 W CA 0.778 58.046 57.345 -0.128 0.000 1.264 365 W CB -0.424 28.781 29.460 -0.426 0.000 1.142 365 W HN 0.188 nan 8.180 nan 0.000 0.512 366 Y N -0.733 119.685 120.300 0.198 0.000 2.561 366 Y HA 0.020 4.570 4.550 -0.001 0.000 0.291 366 Y C 1.115 177.060 175.900 0.075 0.000 1.141 366 Y CA 0.158 58.315 58.100 0.095 0.000 1.303 366 Y CB -1.273 37.232 38.460 0.076 0.000 1.015 366 Y HN -0.187 nan 8.280 nan 0.000 0.547 367 N N 1.829 120.702 118.700 0.288 0.000 2.401 367 N HA 0.050 4.789 4.740 -0.001 0.000 0.255 367 N C -2.124 173.542 175.510 0.261 0.000 1.110 367 N CA -1.741 51.462 53.050 0.255 0.000 0.949 367 N CB 1.427 40.090 38.487 0.292 0.000 1.110 367 N HN -0.027 nan 8.380 nan 0.000 0.490 368 P HA -0.053 nan 4.420 nan 0.000 0.218 368 P C 0.251 177.685 177.300 0.223 0.000 1.149 368 P CA 1.392 64.542 63.100 0.084 0.000 0.817 368 P CB 0.326 32.040 31.700 0.024 0.000 0.785 369 K N -1.915 118.606 120.400 0.202 0.000 2.458 369 K HA 0.103 4.423 4.320 -0.001 0.000 0.194 369 K C 0.189 176.905 176.600 0.193 0.000 1.024 369 K CA -0.172 56.213 56.287 0.162 0.000 1.108 369 K CB -0.256 32.314 32.500 0.116 0.000 0.846 369 K HN 0.136 nan 8.250 nan 0.000 0.518 370 F N 0.856 120.897 119.950 0.152 0.000 2.421 370 F HA 0.356 4.883 4.527 -0.001 0.000 0.337 370 F C -0.635 175.163 175.800 -0.003 0.000 1.105 370 F CA -1.090 56.962 58.000 0.087 0.000 1.049 370 F CB 0.993 40.073 39.000 0.133 0.000 1.139 370 F HN -0.378 nan 8.300 nan 0.000 0.479 371 V N 7.096 126.504 119.914 -0.844 0.000 2.444 371 V HA 0.395 4.514 4.120 -0.001 0.000 0.294 371 V C -2.172 173.322 176.094 -1.000 0.000 1.022 371 V CA -1.843 60.042 62.300 -0.693 0.000 0.850 371 V CB 1.352 32.900 31.823 -0.459 0.000 0.992 371 V HN 0.691 nan 8.190 nan 0.000 0.426 372 P HA 0.198 nan 4.420 nan 0.000 0.270 372 P C -0.592 176.375 177.300 -0.556 0.000 1.223 372 P CA -0.332 62.297 63.100 -0.783 0.000 0.785 372 P CB 0.550 31.481 31.700 -1.281 0.000 0.923 373 Q N 0.699 120.244 119.800 -0.424 0.000 2.288 373 Q HA 0.294 4.634 4.340 -0.001 0.000 0.254 373 Q C 0.047 175.888 176.000 -0.264 0.000 0.932 373 Q CA -0.225 55.402 55.803 -0.293 0.000 0.902 373 Q CB 0.960 29.577 28.738 -0.202 0.000 1.203 373 Q HN 0.278 nan 8.270 nan 0.000 0.415 374 R N 1.269 121.634 120.500 -0.225 0.000 2.460 374 R HA 0.446 4.786 4.340 -0.001 0.000 0.303 374 R C -1.265 174.942 176.300 -0.156 0.000 0.968 374 R CA -0.165 55.815 56.100 -0.200 0.000 0.889 374 R CB 1.278 31.452 30.300 -0.211 0.000 1.123 374 R HN 0.503 nan 8.270 nan 0.000 0.455 375 T N 2.641 117.112 114.554 -0.138 0.000 2.841 375 T HA 0.329 4.679 4.350 -0.001 0.000 0.285 375 T C -1.045 173.589 174.700 -0.110 0.000 0.991 375 T CA -0.580 61.458 62.100 -0.103 0.000 0.966 375 T CB 1.846 70.672 68.868 -0.069 0.000 0.962 375 T HN 0.493 nan 8.240 nan 0.000 0.438 376 T N 4.428 118.919 114.554 -0.105 0.000 2.815 376 T HA 0.620 4.969 4.350 -0.001 0.000 0.289 376 T C -0.311 174.376 174.700 -0.021 0.000 1.000 376 T CA -0.625 61.407 62.100 -0.112 0.000 0.958 376 T CB 0.453 69.185 68.868 -0.226 0.000 0.944 376 T HN 0.341 nan 8.240 nan 0.000 0.442 377 L N 1.783 123.041 121.223 0.058 0.000 2.319 377 L HA 0.641 4.981 4.340 -0.001 0.000 0.267 377 L C 0.571 177.606 176.870 0.274 0.000 1.011 377 L CA -1.428 53.510 54.840 0.163 0.000 0.818 377 L CB 1.659 43.855 42.059 0.228 0.000 1.316 377 L HN 0.464 nan 8.230 nan 0.000 0.432 378 R N 0.027 120.660 120.500 0.222 0.000 2.590 378 R HA 0.329 4.668 4.340 -0.001 0.000 0.274 378 R C 0.230 176.578 176.300 0.080 0.000 1.061 378 R CA 0.471 56.646 56.100 0.125 0.000 1.081 378 R CB 0.868 31.140 30.300 -0.046 0.000 0.984 378 R HN 0.836 nan 8.270 nan 0.000 0.448 379 G N 1.681 110.454 108.800 -0.045 0.000 3.227 379 G HA2 0.169 4.129 3.960 -0.001 0.000 0.171 379 G HA3 0.169 4.129 3.960 -0.001 0.000 0.171 379 G C -0.723 174.137 174.900 -0.066 0.000 1.463 379 G CA -0.328 44.805 45.100 0.055 0.000 1.016 379 G HN 0.666 nan 8.290 nan 0.000 0.594 383 S N 1.720 117.415 115.700 -0.007 0.000 2.507 383 S HA 0.161 4.631 4.470 -0.001 0.000 0.235 383 S C 0.658 175.359 174.600 0.169 0.000 0.988 383 S CA 0.496 58.740 58.200 0.075 0.000 0.944 383 S CB -0.202 63.072 63.200 0.123 0.000 0.762 383 S HN 0.650 nan 8.310 nan 0.000 0.526 384 V N 3.035 122.879 119.914 -0.116 0.000 2.435 384 V HA 0.450 4.569 4.120 -0.001 0.000 0.290 384 V C -0.148 175.529 176.094 -0.694 0.000 1.030 384 V CA -0.944 60.978 62.300 -0.630 0.000 0.881 384 V CB 1.465 32.806 31.823 -0.804 0.000 0.983 384 V HN 0.366 nan 8.190 nan 0.000 0.445 385 I N 4.372 124.440 120.570 -0.836 0.000 2.385 385 I HA 0.284 4.453 4.170 -0.001 0.000 0.294 385 I C 1.407 177.146 176.117 -0.631 0.000 0.988 385 I CA -0.003 60.973 61.300 -0.540 0.000 1.265 385 I CB 1.836 39.750 38.000 -0.144 0.000 1.388 385 I HN 0.826 nan 8.210 nan 0.000 0.480 386 T N 0.525 114.683 114.554 -0.659 0.000 3.037 386 T HA 0.140 4.490 4.350 -0.001 0.000 0.252 386 T C 0.536 175.055 174.700 -0.301 0.000 1.073 386 T CA -0.036 61.667 62.100 -0.662 0.000 1.091 386 T CB -0.175 67.962 68.868 -1.218 0.000 0.935 386 T HN 0.752 nan 8.240 nan 0.000 0.488 387 C N -0.211 118.949 119.300 -0.234 0.000 3.307 387 C HA 0.853 5.312 4.460 -0.001 0.000 0.333 387 C C -1.554 173.418 174.990 -0.030 0.000 1.291 387 C CA -1.645 57.325 59.018 -0.080 0.000 1.273 387 C CB 0.929 28.631 27.740 -0.064 0.000 1.580 387 C HN 0.607 nan 8.230 nan 0.000 0.481 388 L N 1.274 122.520 121.223 0.038 0.000 2.543 388 L HA 0.567 4.907 4.340 -0.001 0.000 0.265 388 L C -1.493 175.439 176.870 0.103 0.000 0.945 388 L CA -0.013 54.869 54.840 0.070 0.000 0.869 388 L CB 2.018 44.119 42.059 0.070 0.000 1.294 388 L HN 0.875 nan 8.230 nan 0.000 0.405 389 Q N 3.472 123.345 119.800 0.122 0.000 2.306 389 Q HA 0.505 4.844 4.340 -0.001 0.000 0.265 389 Q C -1.614 174.510 176.000 0.207 0.000 1.022 389 Q CA -0.401 55.489 55.803 0.146 0.000 0.853 389 Q CB 3.027 31.849 28.738 0.140 0.000 1.327 389 Q HN 0.556 nan 8.270 nan 0.000 0.449 390 F N 2.806 122.736 119.950 -0.033 0.000 2.902 390 F HA 0.368 4.894 4.527 -0.001 0.000 0.368 390 F C -1.164 174.578 175.800 -0.097 0.000 1.202 390 F CA -0.518 57.447 58.000 -0.059 0.000 1.109 390 F CB 0.740 39.703 39.000 -0.063 0.000 1.418 390 F HN 0.381 nan 8.300 nan 0.000 0.527 391 E N 2.864 122.851 120.200 -0.356 0.000 2.430 391 E HA 0.233 4.582 4.350 -0.001 0.000 0.279 391 E C -0.841 175.527 176.600 -0.386 0.000 1.003 391 E CA -0.696 55.413 56.400 -0.484 0.000 0.801 391 E CB 1.262 30.680 29.700 -0.469 0.000 1.313 391 E HN 0.387 nan 8.360 nan 0.000 0.459 392 D N 1.547 121.801 120.400 -0.243 0.000 2.739 392 D HA -0.214 4.426 4.640 -0.001 0.000 0.230 392 D C -0.278 175.894 176.300 -0.213 0.000 1.167 392 D CA 1.182 55.119 54.000 -0.106 0.000 0.640 392 D CB -0.948 39.935 40.800 0.138 0.000 1.045 392 D HN 0.576 nan 8.370 nan 0.000 0.421 393 N N -2.365 116.220 118.700 -0.192 0.000 2.800 393 N HA -0.274 4.466 4.740 -0.001 0.000 0.250 393 N C -0.716 174.745 175.510 -0.082 0.000 1.078 393 N CA 0.923 53.906 53.050 -0.112 0.000 0.804 393 N CB -1.461 36.910 38.487 -0.194 0.000 1.135 393 N HN 0.427 nan 8.380 nan 0.000 0.565 394 Y N -0.209 120.120 120.300 0.048 0.000 2.393 394 Y HA 0.563 5.113 4.550 -0.001 0.000 0.341 394 Y C 0.355 176.372 175.900 0.196 0.000 0.988 394 Y CA -0.770 57.374 58.100 0.073 0.000 1.078 394 Y CB 1.711 40.141 38.460 -0.050 0.000 1.203 394 Y HN -0.199 nan 8.280 nan 0.000 0.453 395 V N 5.915 126.077 119.914 0.413 0.000 2.350 395 V HA 0.422 4.541 4.120 -0.001 0.000 0.285 395 V C -0.659 175.633 176.094 0.331 0.000 1.014 395 V CA -0.674 61.813 62.300 0.313 0.000 0.831 395 V CB 0.761 32.651 31.823 0.113 0.000 1.000 395 V HN 0.471 nan 8.190 nan 0.000 0.433 396 I N 4.524 125.232 120.570 0.230 0.000 2.441 396 I HA 0.709 4.879 4.170 -0.001 0.000 0.295 396 I C 0.458 176.684 176.117 0.182 0.000 0.994 396 I CA -0.056 61.358 61.300 0.190 0.000 1.144 396 I CB 2.195 40.245 38.000 0.082 0.000 1.314 396 I HN 0.735 nan 8.210 nan 0.000 0.445 397 T N 1.413 116.111 114.554 0.241 0.000 2.906 397 T HA 0.923 5.272 4.350 -0.001 0.000 0.295 397 T C -0.301 174.488 174.700 0.148 0.000 1.061 397 T CA -0.866 61.355 62.100 0.203 0.000 1.000 397 T CB 1.827 70.899 68.868 0.340 0.000 1.103 397 T HN 0.829 nan 8.240 nan 0.000 0.486 398 G N -0.237 108.491 108.800 -0.121 0.000 2.533 398 G HA2 0.877 4.837 3.960 -0.001 0.000 0.304 398 G HA3 0.877 4.837 3.960 -0.001 0.000 0.304 398 G C -1.180 173.316 174.900 -0.674 0.000 1.263 398 G CA -0.630 44.306 45.100 -0.273 0.000 0.964 398 G HN 1.236 nan 8.290 nan 0.000 0.479 399 A N 0.066 122.492 122.820 -0.658 0.000 2.588 399 A HA 0.640 4.959 4.320 -0.001 0.000 0.290 399 A C -0.191 177.078 177.584 -0.524 0.000 1.136 399 A CA -0.289 51.320 52.037 -0.713 0.000 0.681 399 A CB 1.317 19.853 19.000 -0.774 0.000 1.282 399 A HN 0.587 nan 8.150 nan 0.000 0.421 400 D N 0.083 120.185 120.400 -0.496 0.000 2.338 400 D HA -0.002 4.638 4.640 -0.001 0.000 0.239 400 D C 0.409 176.662 176.300 -0.078 0.000 1.095 400 D CA 1.151 55.011 54.000 -0.234 0.000 0.888 400 D CB 0.156 40.918 40.800 -0.064 0.000 0.899 400 D HN 0.476 nan 8.370 nan 0.000 0.525 401 D N 0.048 120.395 120.400 -0.087 0.000 2.395 401 D HA -0.003 4.636 4.640 -0.001 0.000 0.226 401 D C 0.193 176.508 176.300 0.025 0.000 1.146 401 D CA -0.267 53.729 54.000 -0.006 0.000 0.830 401 D CB -0.603 40.208 40.800 0.018 0.000 0.958 401 D HN 0.387 nan 8.370 nan 0.000 0.501 405 R N 5.188 125.684 120.500 -0.006 0.000 2.346 405 R HA 0.724 5.064 4.340 -0.001 0.000 0.311 405 R C -0.865 175.407 176.300 -0.045 0.000 0.983 405 R CA -0.841 55.210 56.100 -0.081 0.000 0.880 405 R CB 2.472 32.669 30.300 -0.171 0.000 1.100 405 R HN 0.236 nan 8.270 nan 0.000 0.453 406 V N 4.219 123.998 119.914 -0.224 0.000 2.513 406 V HA 0.444 4.564 4.120 -0.001 0.000 0.299 406 V C -0.851 175.096 176.094 -0.245 0.000 1.035 406 V CA -0.725 61.496 62.300 -0.132 0.000 0.889 406 V CB 1.049 32.756 31.823 -0.194 0.000 0.988 406 V HN 0.577 nan 8.190 nan 0.000 0.440 407 Y N 1.006 121.361 120.300 0.092 0.000 2.602 407 Y HA 0.563 5.112 4.550 -0.001 0.000 0.342 407 Y C -0.197 175.778 175.900 0.126 0.000 1.029 407 Y CA -1.465 56.693 58.100 0.097 0.000 1.080 407 Y CB 1.397 39.934 38.460 0.127 0.000 1.284 407 Y HN 0.623 nan 8.280 nan 0.000 0.485 408 D N -0.227 120.315 120.400 0.237 0.000 2.373 408 D HA 0.205 4.844 4.640 -0.001 0.000 0.227 408 D C 0.570 176.944 176.300 0.124 0.000 1.091 408 D CA -0.247 53.827 54.000 0.123 0.000 0.840 408 D CB 1.173 42.000 40.800 0.046 0.000 1.060 408 D HN 0.505 nan 8.370 nan 0.000 0.502 409 S N 3.077 118.855 115.700 0.130 0.000 2.522 409 S HA -0.029 4.440 4.470 -0.001 0.000 0.227 409 S C 1.668 176.327 174.600 0.098 0.000 0.986 409 S CA 0.196 58.479 58.200 0.139 0.000 0.929 409 S CB -0.272 63.124 63.200 0.327 0.000 0.769 409 S HN 0.605 nan 8.310 nan 0.000 0.529 410 I N 1.455 122.059 120.570 0.056 0.000 2.385 410 I HA 0.066 4.235 4.170 -0.001 0.000 0.244 410 I C 1.499 177.631 176.117 0.025 0.000 1.089 410 I CA 0.738 62.058 61.300 0.033 0.000 1.410 410 I CB -0.293 37.706 38.000 -0.002 0.000 1.117 410 I HN 0.225 nan 8.210 nan 0.000 0.429 411 N N 0.757 119.469 118.700 0.020 0.000 2.398 411 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 411 N C -0.526 175.003 175.510 0.031 0.000 1.122 411 N CA 0.117 53.178 53.050 0.019 0.000 0.866 411 N CB 0.042 38.536 38.487 0.013 0.000 0.970 411 N HN -0.031 nan 8.380 nan 0.000 0.462 412 K N 0.482 120.908 120.400 0.044 0.000 4.007 412 K HA -0.234 4.086 4.320 -0.001 0.000 0.279 412 K C -0.865 175.786 176.600 0.086 0.000 0.919 412 K CA 0.803 57.120 56.287 0.051 0.000 0.800 412 K CB -1.504 31.005 32.500 0.015 0.000 1.572 412 K HN 0.586 nan 8.250 nan 0.000 0.443 413 K N -1.304 119.179 120.400 0.138 0.000 2.607 413 K HA 0.494 4.814 4.320 -0.001 0.000 0.287 413 K C -0.952 175.809 176.600 0.268 0.000 0.996 413 K CA -1.237 55.165 56.287 0.192 0.000 0.876 413 K CB 0.868 33.440 32.500 0.120 0.000 1.496 413 K HN -0.083 nan 8.250 nan 0.000 0.415 414 F N 2.503 122.527 119.950 0.123 0.000 2.495 414 F HA 0.208 4.735 4.527 -0.001 0.000 0.365 414 F C 0.277 176.030 175.800 -0.080 0.000 1.090 414 F CA -0.291 57.677 58.000 -0.053 0.000 1.235 414 F CB 0.469 39.400 39.000 -0.114 0.000 1.119 414 F HN 0.570 nan 8.300 nan 0.000 0.562 415 L N 4.607 125.269 121.223 -0.935 0.000 2.327 415 L HA 0.239 4.579 4.340 -0.001 0.000 0.192 415 L C -0.400 175.796 176.870 -1.124 0.000 1.158 415 L CA 0.075 54.483 54.840 -0.722 0.000 0.813 415 L CB -0.208 41.649 42.059 -0.337 0.000 1.021 415 L HN 0.656 nan 8.230 nan 0.000 0.481 416 L N -3.445 117.068 121.223 -1.183 0.000 2.630 416 L HA 0.539 4.879 4.340 -0.001 0.000 0.258 416 L C -0.865 175.740 176.870 -0.442 0.000 1.072 416 L CA -0.592 53.789 54.840 -0.764 0.000 0.885 416 L CB 1.433 43.295 42.059 -0.327 0.000 1.502 416 L HN -0.002 nan 8.230 nan 0.000 0.406 417 Q N 0.317 120.072 119.800 -0.074 0.000 2.377 417 Q HA 0.795 5.135 4.340 -0.001 0.000 0.271 417 Q C -1.904 174.035 176.000 -0.101 0.000 1.077 417 Q CA -0.777 55.012 55.803 -0.023 0.000 0.820 417 Q CB 2.221 31.006 28.738 0.078 0.000 1.347 417 Q HN 0.785 nan 8.270 nan 0.000 0.444 418 L N 2.514 123.614 121.223 -0.204 0.000 2.333 418 L HA 0.550 4.889 4.340 -0.001 0.000 0.280 418 L C -0.603 176.151 176.870 -0.193 0.000 1.004 418 L CA -0.619 54.060 54.840 -0.269 0.000 0.820 418 L CB 1.903 43.510 42.059 -0.753 0.000 1.247 418 L HN 0.679 nan 8.230 nan 0.000 0.416 419 S N 0.655 116.397 115.700 0.070 0.000 2.566 419 S HA 0.944 5.414 4.470 -0.001 0.000 0.298 419 S C 0.205 175.000 174.600 0.325 0.000 1.083 419 S CA 0.084 58.373 58.200 0.149 0.000 0.978 419 S CB 2.475 65.727 63.200 0.088 0.000 1.073 419 S HN 0.883 nan 8.310 nan 0.000 0.491 420 G N 0.448 109.414 108.800 0.276 0.000 4.338 420 G HA2 0.053 4.012 3.960 -0.001 0.000 0.195 420 G HA3 0.053 4.012 3.960 -0.001 0.000 0.195 420 G C -0.309 174.632 174.900 0.068 0.000 1.164 420 G CA -0.611 44.578 45.100 0.150 0.000 0.872 420 G HN 0.757 nan 8.290 nan 0.000 0.301 421 H N 2.120 121.326 119.070 0.227 0.000 3.115 421 H HA 0.053 4.608 4.556 -0.001 0.000 0.324 421 H C 0.296 175.686 175.328 0.102 0.000 1.007 421 H CA 1.159 57.296 56.048 0.148 0.000 1.385 421 H CB 0.978 30.841 29.762 0.168 0.000 1.351 421 H HN 0.330 nan 8.280 nan 0.000 0.592 422 D N 1.849 122.365 120.400 0.194 0.000 2.339 422 D HA 0.115 4.755 4.640 -0.001 0.000 0.217 422 D C 1.185 177.566 176.300 0.135 0.000 1.050 422 D CA 0.321 54.400 54.000 0.131 0.000 0.856 422 D CB 0.827 41.684 40.800 0.094 0.000 0.922 422 D HN 0.596 nan 8.370 nan 0.000 0.518 423 G N -0.579 108.326 108.800 0.176 0.000 2.672 423 G HA2 0.476 4.435 3.960 -0.001 0.000 0.292 423 G HA3 0.476 4.435 3.960 -0.001 0.000 0.292 423 G C -0.052 174.933 174.900 0.143 0.000 1.375 423 G CA -0.654 44.532 45.100 0.143 0.000 0.890 423 G HN 0.009 nan 8.290 nan 0.000 0.476 424 G N -0.849 108.043 108.800 0.154 0.000 2.321 424 G HA2 0.409 4.369 3.960 -0.001 0.000 0.237 424 G HA3 0.409 4.369 3.960 -0.001 0.000 0.237 424 G C 0.234 175.172 174.900 0.063 0.000 1.282 424 G CA 0.009 45.174 45.100 0.108 0.000 0.886 424 G HN 0.767 nan 8.290 nan 0.000 0.528 425 V N 2.464 122.270 119.914 -0.179 0.000 2.649 425 V HA 0.274 4.393 4.120 -0.001 0.000 0.292 425 V C 0.147 175.994 176.094 -0.412 0.000 1.055 425 V CA 0.195 62.347 62.300 -0.247 0.000 1.023 425 V CB 1.370 33.041 31.823 -0.254 0.000 0.992 425 V HN 0.949 nan 8.190 nan 0.000 0.480 426 W N 1.827 123.033 121.300 -0.157 0.000 2.355 426 W HA 0.666 5.326 4.660 -0.001 0.000 0.303 426 W C 0.372 176.841 176.519 -0.085 0.000 0.939 426 W CA 0.443 57.717 57.345 -0.118 0.000 1.377 426 W CB 0.590 29.985 29.460 -0.108 0.000 1.048 426 W HN 0.652 nan 8.180 nan 0.000 0.542 427 A N 1.546 124.411 122.820 0.075 0.000 2.488 427 A HA 0.786 5.105 4.320 -0.001 0.000 0.295 427 A C -1.697 175.911 177.584 0.039 0.000 1.045 427 A CA -0.556 51.520 52.037 0.064 0.000 0.703 427 A CB 0.660 19.705 19.000 0.076 0.000 1.271 427 A HN 0.338 nan 8.150 nan 0.000 0.400 428 L N -0.384 120.869 121.223 0.051 0.000 2.526 428 L HA 0.956 5.295 4.340 -0.001 0.000 0.263 428 L C -0.942 175.986 176.870 0.097 0.000 0.943 428 L CA -0.800 54.079 54.840 0.066 0.000 0.859 428 L CB 1.831 43.908 42.059 0.031 0.000 1.313 428 L HN 0.522 nan 8.230 nan 0.000 0.406 429 K N 1.881 122.350 120.400 0.116 0.000 2.378 429 K HA 0.593 4.912 4.320 -0.001 0.000 0.252 429 K C -1.746 174.956 176.600 0.171 0.000 0.931 429 K CA -0.504 55.870 56.287 0.145 0.000 0.794 429 K CB 1.513 34.090 32.500 0.129 0.000 1.181 429 K HN 0.655 nan 8.250 nan 0.000 0.425 430 Y N 2.399 122.738 120.300 0.066 0.000 2.335 430 Y HA 0.668 5.218 4.550 -0.001 0.000 0.323 430 Y C -1.021 174.919 175.900 0.066 0.000 1.224 430 Y CA -0.318 57.815 58.100 0.053 0.000 1.241 430 Y CB 1.471 39.966 38.460 0.059 0.000 1.235 430 Y HN 0.663 nan 8.280 nan 0.000 0.492 431 A N 3.905 126.385 122.820 -0.568 0.000 2.398 431 A HA 0.365 4.684 4.320 -0.001 0.000 0.301 431 A C -1.505 175.754 177.584 -0.541 0.000 1.041 431 A CA -0.790 51.048 52.037 -0.333 0.000 0.711 431 A CB 0.121 19.004 19.000 -0.195 0.000 1.240 431 A HN 0.959 nan 8.150 nan 0.000 0.420 432 H N 1.031 119.992 119.070 -0.181 0.000 3.190 432 H HA 0.195 4.751 4.556 -0.001 0.000 0.308 432 H C 1.475 176.733 175.328 -0.117 0.000 0.972 432 H CA 2.280 58.307 56.048 -0.035 0.000 1.349 432 H CB 0.395 30.186 29.762 0.048 0.000 1.267 432 H HN 1.959 nan 8.280 nan 0.000 0.584 433 G N 1.985 110.440 108.800 -0.576 0.000 2.179 433 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.220 433 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.220 433 G C 1.115 175.910 174.900 -0.175 0.000 0.990 433 G CA 0.646 45.483 45.100 -0.439 0.000 0.646 433 G HN 1.812 nan 8.290 nan 0.000 0.517 434 G N -0.995 107.731 108.800 -0.123 0.000 2.141 434 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.242 434 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.242 434 G C 0.194 174.942 174.900 -0.253 0.000 0.982 434 G CA 0.398 45.462 45.100 -0.060 0.000 0.662 434 G HN 1.180 nan 8.290 nan 0.000 0.527 435 I N 0.914 121.233 120.570 -0.419 0.000 2.428 435 I HA 0.755 4.925 4.170 -0.001 0.000 0.296 435 I C 0.407 176.293 176.117 -0.385 0.000 0.985 435 I CA -1.031 60.081 61.300 -0.314 0.000 1.260 435 I CB 1.143 38.987 38.000 -0.261 0.000 1.389 435 I HN 0.391 nan 8.210 nan 0.000 0.484 436 L N 5.357 126.495 121.223 -0.142 0.000 2.465 436 L HA 0.823 5.163 4.340 -0.001 0.000 0.257 436 L C -1.181 175.750 176.870 0.102 0.000 0.988 436 L CA -0.655 54.163 54.840 -0.036 0.000 0.827 436 L CB 1.798 43.885 42.059 0.046 0.000 1.397 436 L HN 0.181 nan 8.230 nan 0.000 0.410 437 V N 1.221 121.188 119.914 0.089 0.000 2.667 437 V HA 0.923 5.042 4.120 -0.001 0.000 0.308 437 V C 0.162 176.359 176.094 0.171 0.000 1.048 437 V CA 0.230 62.587 62.300 0.095 0.000 0.928 437 V CB 1.751 33.576 31.823 0.003 0.000 1.004 437 V HN 1.142 nan 8.190 nan 0.000 0.444 438 S N 1.494 117.334 115.700 0.234 0.000 2.667 438 S HA 0.978 5.447 4.470 -0.001 0.000 0.292 438 S C -0.392 174.292 174.600 0.139 0.000 1.126 438 S CA -0.346 57.991 58.200 0.229 0.000 0.881 438 S CB 2.225 65.693 63.200 0.446 0.000 1.132 438 S HN 1.382 nan 8.310 nan 0.000 0.492 439 G N 0.007 108.821 108.800 0.023 0.000 2.731 439 G HA2 0.648 4.607 3.960 -0.001 0.000 0.298 439 G HA3 0.648 4.607 3.960 -0.001 0.000 0.298 439 G C -0.854 173.981 174.900 -0.109 0.000 1.424 439 G CA -0.192 44.905 45.100 -0.005 0.000 1.029 439 G HN 1.462 nan 8.290 nan 0.000 0.518 440 S N -0.892 114.743 115.700 -0.108 0.000 2.720 440 S HA 0.642 5.111 4.470 -0.001 0.000 0.287 440 S C 1.284 175.907 174.600 0.039 0.000 1.168 440 S CA 0.423 58.593 58.200 -0.050 0.000 0.832 440 S CB 1.176 64.226 63.200 -0.250 0.000 1.166 440 S HN 1.319 nan 8.310 nan 0.000 0.493 441 T N -2.033 112.575 114.554 0.091 0.000 3.025 441 T HA -0.071 4.278 4.350 -0.001 0.000 0.270 441 T C 0.969 175.703 174.700 0.057 0.000 1.126 441 T CA 1.733 63.851 62.100 0.029 0.000 1.105 441 T CB -0.889 67.998 68.868 0.032 0.000 0.884 441 T HN 0.736 nan 8.240 nan 0.000 0.522 442 D N 1.680 122.143 120.400 0.104 0.000 2.378 442 D HA -0.083 4.557 4.640 -0.001 0.000 0.227 442 D C 1.095 177.468 176.300 0.122 0.000 1.012 442 D CA 0.029 54.111 54.000 0.137 0.000 0.905 442 D CB -0.423 40.519 40.800 0.236 0.000 0.895 442 D HN 0.460 nan 8.370 nan 0.000 0.532 443 R N -1.170 119.386 120.500 0.092 0.000 3.946 443 R HA -0.174 4.166 4.340 -0.001 0.000 0.329 443 R C -0.129 176.246 176.300 0.125 0.000 1.209 443 R CA 1.232 57.386 56.100 0.089 0.000 0.909 443 R CB -3.415 26.935 30.300 0.083 0.000 1.355 443 R HN 0.486 nan 8.270 nan 0.000 0.539 444 T N -3.256 111.387 114.554 0.149 0.000 2.932 444 T HA 0.673 5.022 4.350 -0.001 0.000 0.289 444 T C 0.059 174.838 174.700 0.132 0.000 1.039 444 T CA -0.849 61.327 62.100 0.126 0.000 1.024 444 T CB 2.863 71.785 68.868 0.090 0.000 1.090 444 T HN -0.027 nan 8.240 nan 0.000 0.496 445 V N 2.366 122.267 119.914 -0.021 0.000 2.350 445 V HA 0.511 4.631 4.120 -0.001 0.000 0.285 445 V C 0.017 175.932 176.094 -0.298 0.000 1.014 445 V CA -0.798 61.431 62.300 -0.118 0.000 0.831 445 V CB 0.927 32.559 31.823 -0.319 0.000 1.000 445 V HN 0.809 nan 8.190 nan 0.000 0.433 446 R N 3.367 123.761 120.500 -0.176 0.000 2.637 446 R HA 0.792 5.131 4.340 -0.001 0.000 0.291 446 R C -1.351 174.656 176.300 -0.489 0.000 0.963 446 R CA -0.818 54.993 56.100 -0.482 0.000 0.901 446 R CB 2.588 32.499 30.300 -0.648 0.000 1.160 446 R HN 0.452 nan 8.270 nan 0.000 0.457 447 V N 2.561 122.039 119.914 -0.726 0.000 2.417 447 V HA 0.418 4.537 4.120 -0.001 0.000 0.291 447 V C -0.872 174.865 176.094 -0.596 0.000 1.024 447 V CA -0.719 61.283 62.300 -0.496 0.000 0.861 447 V CB 0.911 32.436 31.823 -0.497 0.000 0.985 447 V HN 0.648 nan 8.190 nan 0.000 0.436 448 W N 1.317 122.477 121.300 -0.234 0.000 2.762 448 W HA 0.613 5.273 4.660 -0.001 0.000 0.355 448 W C -0.168 176.204 176.519 -0.245 0.000 1.124 448 W CA -0.810 56.398 57.345 -0.230 0.000 1.141 448 W CB 0.803 30.163 29.460 -0.167 0.000 1.432 448 W HN 0.398 nan 8.180 nan 0.000 0.586 449 D N 1.416 121.830 120.400 0.023 0.000 2.440 449 D HA 0.249 4.889 4.640 -0.001 0.000 0.252 449 D C 0.858 177.132 176.300 -0.044 0.000 1.180 449 D CA -0.178 53.776 54.000 -0.076 0.000 0.894 449 D CB 1.104 41.806 40.800 -0.163 0.000 1.111 449 D HN 0.381 nan 8.370 nan 0.000 0.544 450 I N 2.802 123.318 120.570 -0.089 0.000 2.151 450 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 450 I C 2.412 178.498 176.117 -0.053 0.000 1.080 450 I CA 0.846 62.067 61.300 -0.132 0.000 1.339 450 I CB -0.120 37.677 38.000 -0.339 0.000 1.039 450 I HN 0.291 nan 8.210 nan 0.000 0.409 451 K N 1.595 121.985 120.400 -0.016 0.000 2.032 451 K HA -0.239 4.080 4.320 -0.001 0.000 0.218 451 K C 1.950 178.559 176.600 0.015 0.000 1.054 451 K CA 1.893 58.195 56.287 0.024 0.000 0.941 451 K CB -0.676 31.839 32.500 0.025 0.000 0.720 451 K HN 0.441 nan 8.250 nan 0.000 0.449 452 K N -0.698 119.709 120.400 0.011 0.000 2.296 452 K HA 0.030 4.349 4.320 -0.001 0.000 0.200 452 K C 1.010 177.624 176.600 0.023 0.000 1.048 452 K CA 0.622 56.928 56.287 0.032 0.000 0.966 452 K CB 0.022 32.558 32.500 0.060 0.000 0.754 452 K HN 0.421 nan 8.250 nan 0.000 0.466 453 G N 2.046 110.849 108.800 0.006 0.000 2.246 453 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.273 453 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.273 453 G C 0.129 175.069 174.900 0.067 0.000 1.055 453 G CA 0.301 45.407 45.100 0.011 0.000 0.851 453 G HN 0.442 nan 8.290 nan 0.000 0.500 454 C N -2.249 117.103 119.300 0.088 0.000 3.285 454 C HA 0.820 5.279 4.460 -0.001 0.000 0.320 454 C C 0.787 175.811 174.990 0.057 0.000 1.411 454 C CA -1.064 58.017 59.018 0.106 0.000 1.429 454 C CB 1.549 29.307 27.740 0.030 0.000 1.812 454 C HN 1.197 nan 8.230 nan 0.000 0.454 455 C N 2.722 121.916 119.300 -0.177 0.000 2.256 455 C HA 0.577 5.036 4.460 -0.001 0.000 0.333 455 C C 1.852 176.488 174.990 -0.590 0.000 1.183 455 C CA 0.699 59.267 59.018 -0.749 0.000 1.692 455 C CB -0.901 26.123 27.740 -1.193 0.000 2.274 455 C HN 1.126 nan 8.230 nan 0.000 0.509 456 T N 1.424 115.571 114.554 -0.678 0.000 3.100 456 T HA 0.193 4.542 4.350 -0.001 0.000 0.253 456 T C 0.486 174.616 174.700 -0.949 0.000 1.118 456 T CA 0.783 62.364 62.100 -0.865 0.000 1.058 456 T CB -0.241 67.950 68.868 -1.127 0.000 0.953 456 T HN 0.836 nan 8.240 nan 0.000 0.515 457 H N -0.624 118.148 119.070 -0.498 0.000 3.085 457 H HA 0.494 5.050 4.556 -0.001 0.000 0.356 457 H C -1.708 173.278 175.328 -0.571 0.000 1.178 457 H CA -0.775 55.015 56.048 -0.431 0.000 1.214 457 H CB 2.260 31.578 29.762 -0.741 0.000 1.881 457 H HN 0.024 nan 8.280 nan 0.000 0.538 458 V N 3.906 123.751 119.914 -0.115 0.000 2.380 458 V HA 0.229 4.348 4.120 -0.001 0.000 0.272 458 V C -0.232 175.948 176.094 0.143 0.000 1.011 458 V CA -0.507 61.700 62.300 -0.155 0.000 0.826 458 V CB 0.271 32.014 31.823 -0.134 0.000 1.040 458 V HN 0.545 nan 8.190 nan 0.000 0.441 459 F N 2.804 122.564 119.950 -0.316 0.000 2.434 459 F HA 0.408 4.935 4.527 -0.001 0.000 0.358 459 F C 1.022 176.600 175.800 -0.371 0.000 1.136 459 F CA -0.520 57.179 58.000 -0.500 0.000 1.157 459 F CB 0.818 39.108 39.000 -1.184 0.000 1.167 459 F HN 0.477 nan 8.300 nan 0.000 0.539 460 E N 1.349 121.593 120.200 0.073 0.000 2.250 460 E HA 0.633 4.983 4.350 -0.001 0.000 0.265 460 E C 0.548 177.268 176.600 0.200 0.000 1.033 460 E CA -0.349 56.119 56.400 0.113 0.000 0.888 460 E CB 2.019 31.792 29.700 0.121 0.000 1.151 460 E HN 0.812 nan 8.360 nan 0.000 0.412 461 G N 0.522 109.398 108.800 0.127 0.000 4.455 461 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.182 461 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.182 461 G C -0.341 174.485 174.900 -0.124 0.000 1.631 461 G CA -0.656 44.456 45.100 0.021 0.000 0.878 461 G HN 0.532 nan 8.290 nan 0.000 0.295 462 H N 1.553 120.484 119.070 -0.232 0.000 3.140 462 H HA 0.052 4.607 4.556 -0.001 0.000 0.316 462 H C 0.655 175.961 175.328 -0.036 0.000 0.986 462 H CA 1.209 57.132 56.048 -0.210 0.000 1.397 462 H CB 0.363 30.040 29.762 -0.142 0.000 1.377 462 H HN 0.453 nan 8.280 nan 0.000 0.585 463 N N 1.048 119.820 118.700 0.119 0.000 2.313 463 N HA 0.034 4.773 4.740 -0.001 0.000 0.207 463 N C -0.137 175.415 175.510 0.070 0.000 1.141 463 N CA -0.081 53.019 53.050 0.084 0.000 0.830 463 N CB 0.548 39.078 38.487 0.073 0.000 1.008 463 N HN 0.282 nan 8.380 nan 0.000 0.481 464 S N -1.320 114.426 115.700 0.076 0.000 2.636 464 S HA 0.191 4.660 4.470 -0.001 0.000 0.266 464 S C -0.957 173.635 174.600 -0.013 0.000 1.147 464 S CA -0.737 57.477 58.200 0.022 0.000 0.815 464 S CB 0.708 63.910 63.200 0.003 0.000 1.119 464 S HN -0.019 nan 8.310 nan 0.000 0.470 465 T N 2.044 116.563 114.554 -0.059 0.000 2.923 465 T HA 0.145 4.495 4.350 -0.001 0.000 0.304 465 T C -0.060 174.546 174.700 -0.158 0.000 1.044 465 T CA 0.215 62.256 62.100 -0.098 0.000 1.141 465 T CB -0.035 68.740 68.868 -0.155 0.000 1.023 465 T HN 0.461 nan 8.240 nan 0.000 0.533 466 V N 5.312 125.140 119.914 -0.143 0.000 2.405 466 V HA 0.200 4.319 4.120 -0.001 0.000 0.264 466 V C 1.291 177.305 176.094 -0.133 0.000 1.048 466 V CA -0.205 61.971 62.300 -0.206 0.000 0.966 466 V CB 0.867 32.620 31.823 -0.116 0.000 1.015 466 V HN 0.695 nan 8.190 nan 0.000 0.477 467 R N 3.452 123.853 120.500 -0.166 0.000 2.189 467 R HA 0.185 4.524 4.340 -0.001 0.000 0.203 467 R C 0.496 176.764 176.300 -0.053 0.000 1.012 467 R CA 1.011 57.032 56.100 -0.131 0.000 1.015 467 R CB 0.102 30.274 30.300 -0.214 0.000 0.938 467 R HN 0.913 nan 8.270 nan 0.000 0.472 468 C N -1.703 117.568 119.300 -0.048 0.000 3.320 468 C HA 0.841 5.300 4.460 -0.001 0.000 0.335 468 C C -1.458 173.553 174.990 0.034 0.000 1.430 468 C CA -1.627 57.396 59.018 0.008 0.000 1.271 468 C CB 1.038 28.779 27.740 0.001 0.000 1.609 468 C HN 0.331 nan 8.230 nan 0.000 0.457 469 L N -1.226 120.039 121.223 0.070 0.000 2.794 469 L HA 0.988 5.327 4.340 -0.001 0.000 0.261 469 L C -1.618 175.321 176.870 0.115 0.000 0.989 469 L CA -0.047 54.855 54.840 0.103 0.000 0.900 469 L CB 1.500 43.626 42.059 0.112 0.000 1.473 469 L HN 0.937 nan 8.230 nan 0.000 0.414 470 D N 0.087 120.567 120.400 0.133 0.000 2.615 470 D HA 0.721 5.361 4.640 -0.001 0.000 0.267 470 D C -1.703 174.686 176.300 0.148 0.000 1.236 470 D CA -0.177 53.906 54.000 0.138 0.000 0.839 470 D CB 2.474 43.359 40.800 0.142 0.000 1.380 470 D HN 0.777 nan 8.370 nan 0.000 0.433 471 I N 1.455 122.112 120.570 0.145 0.000 2.466 471 I HA 0.486 4.656 4.170 -0.001 0.000 0.289 471 I C -0.267 175.939 176.117 0.148 0.000 1.026 471 I CA -1.120 60.266 61.300 0.142 0.000 1.078 471 I CB 1.829 39.894 38.000 0.108 0.000 1.249 471 I HN 0.247 nan 8.210 nan 0.000 0.429 472 V N 1.834 121.848 119.914 0.166 0.000 2.960 472 V HA 0.666 4.786 4.120 -0.001 0.000 0.315 472 V C -0.780 175.421 176.094 0.178 0.000 1.087 472 V CA -0.591 61.800 62.300 0.151 0.000 0.982 472 V CB 2.080 33.986 31.823 0.139 0.000 1.039 472 V HN 0.859 nan 8.190 nan 0.000 0.437 473 E N 1.461 121.730 120.200 0.116 0.000 2.210 473 E HA 0.543 4.893 4.350 -0.001 0.000 0.266 473 E C -2.349 174.378 176.600 0.212 0.000 0.883 473 E CA -0.747 55.742 56.400 0.147 0.000 0.761 473 E CB 2.122 31.858 29.700 0.060 0.000 1.156 473 E HN 0.823 nan 8.360 nan 0.000 0.412 474 Y N 3.872 124.266 120.300 0.156 0.000 2.354 474 Y HA 0.249 4.798 4.550 -0.001 0.000 0.330 474 Y C -0.949 175.031 175.900 0.134 0.000 1.011 474 Y CA -1.020 57.153 58.100 0.122 0.000 1.099 474 Y CB 1.053 39.587 38.460 0.123 0.000 1.179 474 Y HN 0.629 nan 8.280 nan 0.000 0.442 475 K N 4.894 125.093 120.400 -0.336 0.000 3.653 475 K HA -0.318 4.001 4.320 -0.001 0.000 0.275 475 K C -0.037 176.513 176.600 -0.084 0.000 0.962 475 K CA 1.092 57.210 56.287 -0.282 0.000 0.773 475 K CB -1.261 31.003 32.500 -0.394 0.000 1.463 475 K HN 0.961 nan 8.250 nan 0.000 0.450 476 N N -0.795 117.877 118.700 -0.047 0.000 2.661 476 N HA -0.224 4.515 4.740 -0.001 0.000 0.249 476 N C -0.645 174.849 175.510 -0.026 0.000 1.142 476 N CA 1.688 54.725 53.050 -0.022 0.000 0.727 476 N CB -0.604 37.869 38.487 -0.023 0.000 1.099 476 N HN 0.502 nan 8.380 nan 0.000 0.558 477 I N -0.212 120.349 120.570 -0.014 0.000 2.465 477 I HA 0.257 4.427 4.170 -0.001 0.000 0.291 477 I C 0.116 176.086 176.117 -0.245 0.000 1.014 477 I CA -0.750 60.464 61.300 -0.142 0.000 1.093 477 I CB 1.898 39.817 38.000 -0.135 0.000 1.267 477 I HN -0.115 nan 8.210 nan 0.000 0.431 478 K N 5.567 125.771 120.400 -0.328 0.000 2.156 478 K HA 0.565 4.884 4.320 -0.001 0.000 0.271 478 K C -1.580 174.753 176.600 -0.444 0.000 0.995 478 K CA -0.600 55.550 56.287 -0.229 0.000 0.890 478 K CB 1.605 34.049 32.500 -0.094 0.000 1.073 478 K HN 0.359 nan 8.250 nan 0.000 0.454 479 Y N 1.551 121.893 120.300 0.070 0.000 2.485 479 Y HA 0.440 4.989 4.550 -0.001 0.000 0.345 479 Y C 0.110 176.075 175.900 0.109 0.000 0.998 479 Y CA -0.975 57.175 58.100 0.084 0.000 1.059 479 Y CB 1.429 39.921 38.460 0.054 0.000 1.234 479 Y HN 0.295 nan 8.280 nan 0.000 0.461 480 I N 3.196 123.956 120.570 0.317 0.000 2.377 480 I HA 0.449 4.618 4.170 -0.001 0.000 0.293 480 I C -0.982 175.354 176.117 0.365 0.000 0.987 480 I CA -0.965 60.521 61.300 0.311 0.000 1.185 480 I CB 1.343 39.541 38.000 0.330 0.000 1.341 480 I HN 0.242 nan 8.210 nan 0.000 0.455 481 V N 4.598 124.671 119.914 0.265 0.000 2.376 481 V HA 0.345 4.465 4.120 -0.001 0.000 0.287 481 V C 0.062 176.293 176.094 0.229 0.000 1.015 481 V CA -0.544 61.878 62.300 0.203 0.000 0.834 481 V CB 1.573 33.451 31.823 0.091 0.000 1.001 481 V HN 0.844 nan 8.190 nan 0.000 0.428 482 T N 1.446 116.201 114.554 0.336 0.000 2.779 482 T HA 0.737 5.086 4.350 -0.001 0.000 0.280 482 T C 0.249 175.056 174.700 0.179 0.000 0.987 482 T CA -0.423 61.852 62.100 0.292 0.000 0.966 482 T CB 1.589 70.735 68.868 0.463 0.000 0.933 482 T HN 0.799 nan 8.240 nan 0.000 0.442 483 G N 1.124 109.936 108.800 0.020 0.000 2.400 483 G HA2 0.563 4.522 3.960 -0.001 0.000 0.301 483 G HA3 0.563 4.522 3.960 -0.001 0.000 0.301 483 G C -0.697 174.081 174.900 -0.202 0.000 1.154 483 G CA -0.647 44.430 45.100 -0.038 0.000 0.852 483 G HN 0.916 nan 8.290 nan 0.000 0.511 484 S N -0.469 115.124 115.700 -0.179 0.000 2.697 484 S HA 0.432 4.901 4.470 -0.001 0.000 0.289 484 S C 0.891 175.405 174.600 -0.144 0.000 1.149 484 S CA -0.850 57.197 58.200 -0.255 0.000 0.850 484 S CB 1.390 64.368 63.200 -0.370 0.000 1.151 484 S HN 0.471 nan 8.310 nan 0.000 0.491 485 R N 0.964 121.376 120.500 -0.147 0.000 2.313 485 R HA 0.052 4.392 4.340 -0.001 0.000 0.199 485 R C 0.182 176.454 176.300 -0.047 0.000 0.958 485 R CA 0.715 56.735 56.100 -0.132 0.000 1.047 485 R CB -0.428 29.784 30.300 -0.145 0.000 0.955 485 R HN 0.680 nan 8.270 nan 0.000 0.481 486 D N -0.601 119.806 120.400 0.013 0.000 2.339 486 D HA -0.051 4.589 4.640 -0.001 0.000 0.217 486 D C 0.081 176.430 176.300 0.082 0.000 1.050 486 D CA -0.121 53.920 54.000 0.068 0.000 0.856 486 D CB -0.306 40.576 40.800 0.137 0.000 0.922 486 D HN 0.200 nan 8.370 nan 0.000 0.518 487 N N -1.335 117.402 118.700 0.061 0.000 2.984 487 N HA -0.167 4.572 4.740 -0.001 0.000 0.227 487 N C -0.280 175.317 175.510 0.145 0.000 0.903 487 N CA 1.055 54.161 53.050 0.093 0.000 0.995 487 N CB -1.367 37.181 38.487 0.102 0.000 1.065 487 N HN 0.550 nan 8.380 nan 0.000 0.585 488 T N -1.194 113.452 114.554 0.154 0.000 2.905 488 T HA 0.783 5.132 4.350 -0.001 0.000 0.283 488 T C -0.619 174.192 174.700 0.184 0.000 1.031 488 T CA -0.742 61.443 62.100 0.141 0.000 1.002 488 T CB 2.331 71.278 68.868 0.131 0.000 1.200 488 T HN 0.100 nan 8.240 nan 0.000 0.560 489 L N 1.870 123.113 121.223 0.033 0.000 2.415 489 L HA 0.433 4.772 4.340 -0.001 0.000 0.268 489 L C -0.798 176.040 176.870 -0.054 0.000 0.984 489 L CA -0.746 54.113 54.840 0.032 0.000 0.853 489 L CB 1.270 43.177 42.059 -0.254 0.000 1.215 489 L HN 0.719 nan 8.230 nan 0.000 0.419 490 H N 1.379 120.419 119.070 -0.050 0.000 2.562 490 H HA 0.553 5.108 4.556 -0.001 0.000 0.352 490 H C -0.461 174.588 175.328 -0.464 0.000 1.125 490 H CA -0.245 55.568 56.048 -0.391 0.000 1.379 490 H CB 1.443 30.821 29.762 -0.641 0.000 1.464 490 H HN 0.187 nan 8.280 nan 0.000 0.563 491 V N 4.026 123.572 119.914 -0.613 0.000 2.448 491 V HA 0.310 4.430 4.120 -0.001 0.000 0.295 491 V C -1.027 174.774 176.094 -0.489 0.000 1.025 491 V CA -0.692 61.363 62.300 -0.410 0.000 0.859 491 V CB 0.681 32.309 31.823 -0.325 0.000 0.988 491 V HN 0.707 nan 8.190 nan 0.000 0.431 492 W N 3.189 124.554 121.300 0.110 0.000 2.882 492 W HA 0.706 5.366 4.660 -0.001 0.000 0.345 492 W C -0.293 176.314 176.519 0.146 0.000 1.125 492 W CA -1.223 56.190 57.345 0.115 0.000 1.167 492 W CB 1.129 30.708 29.460 0.198 0.000 1.431 492 W HN 0.489 nan 8.180 nan 0.000 0.543 493 K N 1.304 121.902 120.400 0.330 0.000 2.156 493 K HA 0.658 4.977 4.320 -0.001 0.000 0.271 493 K C -0.758 175.875 176.600 0.055 0.000 0.995 493 K CA -0.930 55.431 56.287 0.124 0.000 0.890 493 K CB 1.804 34.332 32.500 0.048 0.000 1.073 493 K HN 0.520 nan 8.250 nan 0.000 0.454 494 L N 4.467 125.650 121.223 -0.065 0.000 2.456 494 L HA 0.188 4.528 4.340 -0.001 0.000 0.277 494 L C -2.333 174.399 176.870 -0.230 0.000 1.124 494 L CA -1.387 53.367 54.840 -0.143 0.000 0.880 494 L CB -0.220 41.771 42.059 -0.114 0.000 1.192 494 L HN 0.573 nan 8.230 nan 0.000 0.463 495 P HA -0.036 nan 4.420 nan 0.000 0.264 495 P C -0.473 176.742 177.300 -0.143 0.000 1.179 495 P CA 0.121 62.929 63.100 -0.487 0.000 0.763 495 P CB 0.312 31.443 31.700 -0.947 0.000 0.806 509 Y N 1.512 121.755 120.300 -0.095 0.000 2.228 509 Y HA -0.053 4.496 4.550 -0.001 0.000 0.285 509 Y C -1.139 174.647 175.900 -0.189 0.000 1.178 509 Y CA 1.116 59.130 58.100 -0.144 0.000 1.202 509 Y CB -0.864 37.509 38.460 -0.145 0.000 0.974 509 Y HN 0.078 nan 8.280 nan 0.000 0.527 510 P HA -0.035 nan 4.420 nan 0.000 0.252 510 P C -1.087 176.169 177.300 -0.073 0.000 1.635 510 P CA 0.741 63.782 63.100 -0.099 0.000 1.206 510 P CB -0.621 31.024 31.700 -0.091 0.000 1.911 511 L N 2.518 123.716 121.223 -0.042 0.000 2.433 511 L HA 0.160 4.500 4.340 -0.001 0.000 0.284 511 L C 0.410 177.339 176.870 0.097 0.000 1.120 511 L CA -0.509 54.348 54.840 0.028 0.000 0.879 511 L CB 0.188 42.382 42.059 0.225 0.000 1.232 511 L HN 0.010 nan 8.230 nan 0.000 0.454 512 V N 3.392 123.235 119.914 -0.118 0.000 2.567 512 V HA 0.329 4.448 4.120 -0.001 0.000 0.289 512 V C -0.247 175.658 176.094 -0.316 0.000 1.049 512 V CA -0.272 61.956 62.300 -0.120 0.000 0.969 512 V CB 1.446 33.094 31.823 -0.291 0.000 0.995 512 V HN 0.346 nan 8.190 nan 0.000 0.471 513 F N 3.197 123.051 119.950 -0.160 0.000 2.552 513 F HA 0.456 4.983 4.527 -0.001 0.000 0.369 513 F C 1.217 176.935 175.800 -0.137 0.000 1.112 513 F CA -0.732 57.203 58.000 -0.108 0.000 1.129 513 F CB 0.587 39.596 39.000 0.015 0.000 1.360 513 F HN 0.547 nan 8.300 nan 0.000 0.473 514 H N 0.166 119.314 119.070 0.129 0.000 2.456 514 H HA 0.015 4.570 4.556 -0.001 0.000 0.296 514 H C 0.327 175.695 175.328 0.066 0.000 1.079 514 H CA 0.917 57.013 56.048 0.080 0.000 1.322 514 H CB 0.243 30.024 29.762 0.032 0.000 1.388 514 H HN 0.255 nan 8.280 nan 0.000 0.538 515 T N 1.576 116.230 114.554 0.168 0.000 2.824 515 T HA 0.183 4.532 4.350 -0.001 0.000 0.282 515 T C -1.766 172.941 174.700 0.012 0.000 0.993 515 T CA -1.414 60.728 62.100 0.070 0.000 0.967 515 T CB 2.665 71.566 68.868 0.056 0.000 0.960 515 T HN -0.046 nan 8.240 nan 0.000 0.441 516 P HA -0.078 nan 4.420 nan 0.000 0.216 516 P C 1.530 178.691 177.300 -0.232 0.000 1.153 516 P CA 0.793 63.585 63.100 -0.513 0.000 0.848 516 P CB 0.317 31.305 31.700 -1.186 0.000 0.787 517 E N 0.043 120.177 120.200 -0.109 0.000 2.118 517 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 517 E C 1.735 178.372 176.600 0.063 0.000 0.992 517 E CA 1.316 57.735 56.400 0.032 0.000 0.804 517 E CB -0.538 29.170 29.700 0.013 0.000 0.741 517 E HN 0.490 nan 8.360 nan 0.000 0.458 518 E N 0.291 120.527 120.200 0.061 0.000 2.442 518 E HA 0.010 4.359 4.350 -0.001 0.000 0.195 518 E C 0.528 177.222 176.600 0.157 0.000 1.030 518 E CA -0.266 56.186 56.400 0.087 0.000 0.869 518 E CB -0.022 29.723 29.700 0.075 0.000 0.857 518 E HN 0.159 nan 8.360 nan 0.000 0.505 519 N N 1.768 120.577 118.700 0.182 0.000 2.399 519 N HA 0.012 4.751 4.740 -0.001 0.000 0.259 519 N C -1.976 173.521 175.510 -0.022 0.000 1.160 519 N CA -1.559 51.602 53.050 0.185 0.000 0.946 519 N CB 0.896 39.375 38.487 -0.013 0.000 1.156 519 N HN -0.198 nan 8.380 nan 0.000 0.489 520 P HA -0.179 nan 4.420 nan 0.000 0.216 520 P C 0.103 177.209 177.300 -0.322 0.000 1.150 520 P CA 1.339 64.274 63.100 -0.274 0.000 0.843 520 P CB 0.039 31.473 31.700 -0.443 0.000 0.787 521 Y N -2.672 117.492 120.300 -0.227 0.000 2.516 521 Y HA 0.093 4.642 4.550 -0.001 0.000 0.291 521 Y C 1.304 177.157 175.900 -0.079 0.000 1.131 521 Y CA -0.446 57.515 58.100 -0.232 0.000 1.281 521 Y CB -1.220 36.947 38.460 -0.488 0.000 1.013 521 Y HN -0.093 nan 8.280 nan 0.000 0.554 522 F N -0.369 119.517 119.950 -0.107 0.000 2.506 522 F HA 0.225 4.751 4.527 -0.001 0.000 0.351 522 F C 0.803 176.522 175.800 -0.135 0.000 1.136 522 F CA -0.367 57.568 58.000 -0.108 0.000 1.298 522 F CB 0.828 39.742 39.000 -0.144 0.000 1.145 522 F HN -0.218 nan 8.300 nan 0.000 0.593 523 V N 2.713 121.998 119.914 -1.048 0.000 3.058 523 V HA 0.542 4.661 4.120 -0.001 0.000 0.233 523 V C 0.743 176.113 176.094 -1.207 0.000 1.255 523 V CA 0.544 62.355 62.300 -0.816 0.000 1.267 523 V CB 0.079 31.643 31.823 -0.432 0.000 1.049 523 V HN 1.142 nan 8.190 nan 0.000 0.486 524 G N -0.075 107.711 108.800 -1.690 0.000 2.320 524 G HA2 0.448 4.407 3.960 -0.001 0.000 0.297 524 G HA3 0.448 4.407 3.960 -0.001 0.000 0.297 524 G C -1.809 172.612 174.900 -0.798 0.000 1.344 524 G CA 0.125 44.527 45.100 -1.164 0.000 0.851 524 G HN 0.832 nan 8.290 nan 0.000 0.567 525 V N -1.502 118.091 119.914 -0.535 0.000 2.495 525 V HA 0.823 4.942 4.120 -0.001 0.000 0.298 525 V C -0.743 175.077 176.094 -0.457 0.000 1.031 525 V CA -1.200 60.749 62.300 -0.585 0.000 0.871 525 V CB 1.469 32.906 31.823 -0.643 0.000 0.988 525 V HN 0.702 nan 8.190 nan 0.000 0.432 526 L N 5.986 126.869 121.223 -0.567 0.000 2.282 526 L HA 0.571 4.910 4.340 -0.001 0.000 0.287 526 L C 0.640 177.205 176.870 -0.508 0.000 1.075 526 L CA 0.159 54.509 54.840 -0.817 0.000 0.839 526 L CB 0.249 41.205 42.059 -1.837 0.000 1.219 526 L HN 0.767 nan 8.230 nan 0.000 0.434 527 R N 1.465 121.894 120.500 -0.119 0.000 2.368 527 R HA 0.703 5.042 4.340 -0.001 0.000 0.302 527 R C 0.746 177.201 176.300 0.260 0.000 1.002 527 R CA 0.072 56.205 56.100 0.054 0.000 0.929 527 R CB 1.669 31.980 30.300 0.017 0.000 1.073 527 R HN 0.791 nan 8.270 nan 0.000 0.464 528 G N 0.876 109.786 108.800 0.184 0.000 3.953 528 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.175 528 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.175 528 G C -0.003 174.862 174.900 -0.058 0.000 0.875 528 G CA -0.419 44.716 45.100 0.059 0.000 0.908 528 G HN 0.469 nan 8.290 nan 0.000 0.367 532 S N -0.199 115.431 115.700 -0.117 0.000 2.593 532 S HA 0.244 4.714 4.470 -0.001 0.000 0.300 532 S C 0.138 174.510 174.600 -0.379 0.000 1.267 532 S CA 0.205 58.231 58.200 -0.290 0.000 1.065 532 S CB -0.276 62.616 63.200 -0.514 0.000 0.807 532 S HN 1.557 nan 8.310 nan 0.000 0.499 533 V N 7.415 127.157 119.914 -0.288 0.000 2.352 533 V HA 0.204 4.324 4.120 -0.001 0.000 0.253 533 V C 1.430 177.331 176.094 -0.323 0.000 1.083 533 V CA -0.190 61.938 62.300 -0.288 0.000 0.993 533 V CB 0.385 32.128 31.823 -0.133 0.000 1.111 533 V HN 0.924 nan 8.190 nan 0.000 0.490 534 R N 3.849 124.113 120.500 -0.392 0.000 2.119 534 R HA 0.038 4.377 4.340 -0.001 0.000 0.222 534 R C 0.962 177.173 176.300 -0.149 0.000 1.088 534 R CA 1.327 57.211 56.100 -0.361 0.000 0.984 534 R CB 0.082 30.144 30.300 -0.396 0.000 0.884 534 R HN 0.678 nan 8.270 nan 0.000 0.447 535 T N -1.534 112.965 114.554 -0.091 0.000 2.883 535 T HA 0.668 5.018 4.350 -0.001 0.000 0.301 535 T C -1.778 172.934 174.700 0.019 0.000 1.158 535 T CA -0.657 61.440 62.100 -0.005 0.000 1.007 535 T CB 1.435 70.328 68.868 0.042 0.000 1.186 535 T HN -0.178 nan 8.240 nan 0.000 0.499 536 V N 2.348 122.299 119.914 0.061 0.000 2.817 536 V HA 0.745 4.865 4.120 -0.001 0.000 0.303 536 V C -0.712 175.456 176.094 0.124 0.000 1.151 536 V CA -0.811 61.543 62.300 0.090 0.000 0.929 536 V CB 1.957 33.827 31.823 0.079 0.000 1.030 536 V HN 0.966 nan 8.190 nan 0.000 0.427 537 S N 2.624 118.417 115.700 0.154 0.000 2.571 537 S HA 0.927 5.396 4.470 -0.001 0.000 0.284 537 S C -0.301 174.450 174.600 0.252 0.000 1.128 537 S CA 0.280 58.605 58.200 0.208 0.000 0.970 537 S CB 1.675 65.018 63.200 0.238 0.000 1.039 537 S HN 1.398 nan 8.310 nan 0.000 0.485 538 G N 1.689 110.664 108.800 0.291 0.000 2.708 538 G HA2 0.690 4.649 3.960 -0.001 0.000 0.289 538 G HA3 0.690 4.649 3.960 -0.001 0.000 0.289 538 G C -1.949 173.207 174.900 0.427 0.000 1.416 538 G CA -0.540 44.765 45.100 0.342 0.000 0.829 538 G HN 0.909 nan 8.290 nan 0.000 0.480 539 H N -1.634 117.617 119.070 0.301 0.000 3.151 539 H HA 0.524 5.080 4.556 -0.001 0.000 0.333 539 H C 0.477 175.902 175.328 0.162 0.000 1.093 539 H CA 1.174 57.292 56.048 0.118 0.000 1.342 539 H CB 1.088 30.737 29.762 -0.189 0.000 1.983 539 H HN 2.015 nan 8.280 nan 0.000 0.503 540 G N 3.803 112.422 108.800 -0.303 0.000 2.566 540 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.280 540 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.280 540 G C 0.755 175.613 174.900 -0.070 0.000 1.225 540 G CA 0.386 45.437 45.100 -0.083 0.000 0.966 540 G HN 1.164 nan 8.290 nan 0.000 0.560 541 N N 0.718 119.227 118.700 -0.320 0.000 2.370 541 N HA 0.100 4.839 4.740 -0.001 0.000 0.198 541 N C 0.379 175.713 175.510 -0.293 0.000 1.156 541 N CA 0.526 53.219 53.050 -0.595 0.000 0.839 541 N CB 0.193 37.920 38.487 -1.267 0.000 0.989 541 N HN 0.498 nan 8.380 nan 0.000 0.468 542 I N 1.400 121.902 120.570 -0.113 0.000 2.406 542 I HA 0.388 4.558 4.170 -0.001 0.000 0.290 542 I C -0.468 175.570 176.117 -0.132 0.000 0.999 542 I CA -0.953 60.261 61.300 -0.144 0.000 1.124 542 I CB 1.783 39.665 38.000 -0.196 0.000 1.289 542 I HN -0.252 nan 8.210 nan 0.000 0.441 543 V N 6.663 126.514 119.914 -0.106 0.000 2.876 543 V HA 0.590 4.710 4.120 -0.001 0.000 0.312 543 V C -0.305 175.810 176.094 0.035 0.000 1.085 543 V CA -0.728 61.572 62.300 -0.001 0.000 0.945 543 V CB 3.113 34.971 31.823 0.058 0.000 1.017 543 V HN 0.429 nan 8.190 nan 0.000 0.428 544 V N 2.764 122.715 119.914 0.061 0.000 2.604 544 V HA 0.745 4.865 4.120 -0.001 0.000 0.305 544 V C -0.122 176.077 176.094 0.176 0.000 1.043 544 V CA -0.441 61.912 62.300 0.089 0.000 0.888 544 V CB 2.090 33.921 31.823 0.013 0.000 0.995 544 V HN 1.006 nan 8.190 nan 0.000 0.429 545 S N 2.637 118.492 115.700 0.259 0.000 2.536 545 S HA 0.902 5.372 4.470 -0.001 0.000 0.298 545 S C -0.238 174.432 174.600 0.116 0.000 1.083 545 S CA -0.369 57.966 58.200 0.225 0.000 0.995 545 S CB 2.049 65.473 63.200 0.373 0.000 1.058 545 S HN 1.195 nan 8.310 nan 0.000 0.488 546 G N 0.411 109.195 108.800 -0.027 0.000 2.461 546 G HA2 0.600 4.559 3.960 -0.001 0.000 0.323 546 G HA3 0.600 4.559 3.960 -0.001 0.000 0.323 546 G C -0.690 174.052 174.900 -0.263 0.000 1.229 546 G CA -0.603 44.439 45.100 -0.096 0.000 0.941 546 G HN 0.880 nan 8.290 nan 0.000 0.477 547 S N 0.321 115.832 115.700 -0.314 0.000 2.751 547 S HA 0.528 4.997 4.470 -0.001 0.000 0.310 547 S C 0.105 174.736 174.600 0.052 0.000 1.128 547 S CA -0.641 57.376 58.200 -0.306 0.000 0.931 547 S CB 1.006 63.877 63.200 -0.549 0.000 1.177 547 S HN 0.420 nan 8.310 nan 0.000 0.530 548 Y N 1.250 121.446 120.300 -0.172 0.000 2.523 548 Y HA 0.117 4.666 4.550 -0.001 0.000 0.279 548 Y C 1.562 177.442 175.900 -0.033 0.000 1.139 548 Y CA 0.369 58.397 58.100 -0.121 0.000 1.296 548 Y CB -0.567 37.816 38.460 -0.129 0.000 1.045 548 Y HN 0.721 nan 8.280 nan 0.000 0.538 549 D N -1.587 118.903 120.400 0.150 0.000 2.371 549 D HA -0.089 4.550 4.640 -0.001 0.000 0.234 549 D C 0.003 176.373 176.300 0.116 0.000 1.049 549 D CA 0.425 54.502 54.000 0.129 0.000 0.907 549 D CB -0.597 40.295 40.800 0.154 0.000 0.891 549 D HN 0.072 nan 8.370 nan 0.000 0.531 550 N N -1.842 116.923 118.700 0.108 0.000 2.850 550 N HA -0.164 4.576 4.740 -0.001 0.000 0.249 550 N C -0.550 175.049 175.510 0.148 0.000 1.060 550 N CA 1.303 54.423 53.050 0.118 0.000 0.825 550 N CB -2.039 36.520 38.487 0.120 0.000 1.132 550 N HN 0.376 nan 8.380 nan 0.000 0.564 551 T N -0.303 114.332 114.554 0.136 0.000 2.907 551 T HA 0.863 5.212 4.350 -0.001 0.000 0.290 551 T C -0.814 173.964 174.700 0.130 0.000 1.066 551 T CA -0.508 61.669 62.100 0.128 0.000 1.012 551 T CB 1.377 70.326 68.868 0.135 0.000 1.184 551 T HN 0.078 nan 8.240 nan 0.000 0.522 552 L N 1.796 123.039 121.223 0.033 0.000 2.409 552 L HA 0.699 5.038 4.340 -0.001 0.000 0.262 552 L C -1.076 175.755 176.870 -0.065 0.000 0.992 552 L CA -0.587 54.260 54.840 0.012 0.000 0.817 552 L CB 2.100 44.036 42.059 -0.206 0.000 1.350 552 L HN 0.526 nan 8.230 nan 0.000 0.411 553 I N 1.980 122.547 120.570 -0.004 0.000 2.533 553 I HA 0.416 4.585 4.170 -0.001 0.000 0.290 553 I C -0.893 174.980 176.117 -0.406 0.000 1.056 553 I CA -0.931 60.160 61.300 -0.349 0.000 1.057 553 I CB 2.343 39.944 38.000 -0.666 0.000 1.240 553 I HN 0.126 nan 8.210 nan 0.000 0.423 554 V N 5.134 124.771 119.914 -0.462 0.000 2.348 554 V HA 0.247 4.366 4.120 -0.001 0.000 0.270 554 V C -0.838 174.988 176.094 -0.447 0.000 1.037 554 V CA -0.385 61.725 62.300 -0.317 0.000 0.872 554 V CB 0.153 31.887 31.823 -0.148 0.000 1.002 554 V HN 0.541 nan 8.190 nan 0.000 0.464 555 W N 2.214 123.413 121.300 -0.168 0.000 2.512 555 W HA 0.483 5.142 4.660 -0.001 0.000 0.335 555 W C 0.344 176.736 176.519 -0.212 0.000 1.088 555 W CA -0.837 56.399 57.345 -0.182 0.000 1.236 555 W CB 0.697 30.063 29.460 -0.157 0.000 1.307 555 W HN 0.421 nan 8.180 nan 0.000 0.567 556 D N 1.928 122.333 120.400 0.009 0.000 2.505 556 D HA 0.093 4.732 4.640 -0.001 0.000 0.242 556 D C 1.029 177.245 176.300 -0.141 0.000 1.136 556 D CA -0.135 53.797 54.000 -0.113 0.000 0.954 556 D CB 1.019 41.736 40.800 -0.139 0.000 1.002 556 D HN 0.210 nan 8.370 nan 0.000 0.512 557 V N 3.386 123.192 119.914 -0.180 0.000 2.313 557 V HA -0.364 3.756 4.120 -0.001 0.000 0.253 557 V C 2.564 178.452 176.094 -0.344 0.000 1.070 557 V CA 2.446 64.582 62.300 -0.272 0.000 1.057 557 V CB -0.689 30.931 31.823 -0.339 0.000 0.653 557 V HN 0.643 nan 8.190 nan 0.000 0.450 558 A N -1.055 121.529 122.820 -0.393 0.000 1.865 558 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 558 A C 1.542 179.012 177.584 -0.190 0.000 1.191 558 A CA 1.492 53.339 52.037 -0.318 0.000 0.623 558 A CB -0.312 18.481 19.000 -0.344 0.000 0.826 558 A HN 0.681 nan 8.150 nan 0.000 0.444 562 C N 2.735 121.955 119.300 -0.133 0.000 2.632 562 C HA 0.300 4.760 4.460 -0.001 0.000 0.415 562 C C 1.514 176.239 174.990 -0.443 0.000 1.332 562 C CA -0.245 58.458 59.018 -0.525 0.000 1.874 562 C CB -1.206 26.152 27.740 -0.637 0.000 2.596 562 C HN 0.736 nan 8.230 nan 0.000 0.590 563 L N 3.633 124.544 121.223 -0.519 0.000 2.262 563 L HA 0.332 4.671 4.340 -0.001 0.000 0.197 563 L C -0.188 176.204 176.870 -0.798 0.000 1.073 563 L CA 0.650 55.126 54.840 -0.606 0.000 0.800 563 L CB -0.202 41.546 42.059 -0.517 0.000 0.987 563 L HN 0.609 nan 8.230 nan 0.000 0.470 564 Y N -1.163 118.942 120.300 -0.324 0.000 2.588 564 Y HA 0.501 5.051 4.550 -0.001 0.000 0.343 564 Y C -0.525 175.163 175.900 -0.353 0.000 1.065 564 Y CA -1.007 56.928 58.100 -0.274 0.000 1.038 564 Y CB 1.811 40.149 38.460 -0.203 0.000 1.297 564 Y HN -0.201 nan 8.280 nan 0.000 0.467 565 I N 3.941 124.451 120.570 -0.098 0.000 2.420 565 I HA 0.311 4.481 4.170 -0.001 0.000 0.282 565 I C -1.115 174.886 176.117 -0.193 0.000 1.019 565 I CA -0.496 60.687 61.300 -0.196 0.000 1.130 565 I CB 0.911 38.808 38.000 -0.171 0.000 1.262 565 I HN 0.312 nan 8.210 nan 0.000 0.454 566 L N 6.044 127.043 121.223 -0.373 0.000 2.325 566 L HA 0.388 4.727 4.340 -0.001 0.000 0.284 566 L C 0.043 176.680 176.870 -0.389 0.000 1.089 566 L CA 0.028 54.444 54.840 -0.707 0.000 0.836 566 L CB 0.306 41.355 42.059 -1.683 0.000 1.184 566 L HN 0.543 nan 8.230 nan 0.000 0.444 567 S N 1.452 117.140 115.700 -0.021 0.000 2.532 567 S HA 0.859 5.329 4.470 -0.001 0.000 0.301 567 S C 0.693 175.467 174.600 0.289 0.000 1.083 567 S CA 0.087 58.362 58.200 0.126 0.000 1.025 567 S CB 2.154 65.396 63.200 0.070 0.000 1.056 567 S HN 0.902 nan 8.310 nan 0.000 0.494 568 G N 0.865 109.788 108.800 0.204 0.000 3.819 568 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.210 568 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.210 568 G C -0.398 174.522 174.900 0.032 0.000 1.018 568 G CA -0.686 44.468 45.100 0.091 0.000 0.882 568 G HN 0.694 nan 8.290 nan 0.000 0.377 569 H N 1.556 120.745 119.070 0.197 0.000 2.948 569 H HA 0.367 4.923 4.556 -0.001 0.000 0.351 569 H C 1.616 177.001 175.328 0.095 0.000 1.079 569 H CA 1.494 57.624 56.048 0.138 0.000 1.407 569 H CB 1.264 31.124 29.762 0.164 0.000 1.373 569 H HN 0.256 nan 8.280 nan 0.000 0.605 570 T N -0.870 113.800 114.554 0.194 0.000 3.186 570 T HA 0.173 4.522 4.350 -0.001 0.000 0.257 570 T C 0.050 174.813 174.700 0.104 0.000 1.029 570 T CA -0.340 61.831 62.100 0.120 0.000 0.916 570 T CB 0.112 69.028 68.868 0.080 0.000 1.041 570 T HN 0.487 nan 8.240 nan 0.000 0.562 571 D N 0.975 121.450 120.400 0.125 0.000 2.671 571 D HA 0.237 4.877 4.640 -0.001 0.000 0.273 571 D C -0.802 175.535 176.300 0.062 0.000 1.264 571 D CA -0.818 53.225 54.000 0.072 0.000 0.788 571 D CB 1.740 42.573 40.800 0.055 0.000 1.324 571 D HN 0.398 nan 8.370 nan 0.000 0.424 572 R N 0.692 121.190 120.500 -0.002 0.000 2.638 572 R HA 0.266 4.605 4.340 -0.001 0.000 0.268 572 R C 0.010 176.325 176.300 0.025 0.000 1.006 572 R CA -0.078 55.985 56.100 -0.062 0.000 1.088 572 R CB -0.023 30.008 30.300 -0.449 0.000 0.950 572 R HN 0.159 nan 8.270 nan 0.000 0.419 573 I N 2.732 123.314 120.570 0.020 0.000 2.365 573 I HA 0.066 4.235 4.170 -0.001 0.000 0.291 573 I C 0.194 176.353 176.117 0.070 0.000 1.004 573 I CA -0.299 61.019 61.300 0.030 0.000 1.311 573 I CB 0.803 38.797 38.000 -0.010 0.000 1.401 573 I HN 0.600 nan 8.210 nan 0.000 0.491 574 Y N 2.714 123.035 120.300 0.036 0.000 2.481 574 Y HA 0.392 4.942 4.550 -0.001 0.000 0.247 574 Y C 0.870 176.815 175.900 0.075 0.000 1.151 574 Y CA -0.071 58.086 58.100 0.096 0.000 1.238 574 Y CB 0.847 39.346 38.460 0.066 0.000 1.179 574 Y HN 0.598 nan 8.280 nan 0.000 0.524 575 S N -0.647 115.154 115.700 0.169 0.000 2.578 575 S HA 0.438 4.908 4.470 -0.001 0.000 0.285 575 S C -1.240 173.427 174.600 0.112 0.000 1.126 575 S CA -0.499 57.782 58.200 0.134 0.000 0.878 575 S CB 1.377 64.667 63.200 0.150 0.000 1.091 575 S HN -0.003 nan 8.310 nan 0.000 0.450 576 T N 3.890 118.514 114.554 0.117 0.000 2.894 576 T HA 0.765 5.114 4.350 -0.001 0.000 0.309 576 T C -1.630 173.165 174.700 0.158 0.000 1.208 576 T CA -0.460 61.720 62.100 0.133 0.000 1.016 576 T CB 0.960 69.892 68.868 0.108 0.000 1.192 576 T HN 0.575 nan 8.240 nan 0.000 0.491 577 I N 3.255 123.938 120.570 0.188 0.000 2.582 577 I HA 0.380 4.549 4.170 -0.001 0.000 0.292 577 I C -1.550 174.738 176.117 0.284 0.000 1.066 577 I CA -1.091 60.336 61.300 0.212 0.000 1.053 577 I CB 2.242 40.349 38.000 0.179 0.000 1.241 577 I HN 0.640 nan 8.210 nan 0.000 0.421 578 Y N 5.851 126.245 120.300 0.156 0.000 2.518 578 Y HA 0.271 4.820 4.550 -0.001 0.000 0.344 578 Y C -0.105 175.910 175.900 0.191 0.000 0.982 578 Y CA -1.300 56.903 58.100 0.173 0.000 1.234 578 Y CB 0.417 38.989 38.460 0.187 0.000 1.114 578 Y HN 0.419 nan 8.280 nan 0.000 0.515 579 D N 5.698 126.126 120.400 0.047 0.000 2.508 579 D HA -0.015 4.625 4.640 -0.001 0.000 0.224 579 D C 1.367 177.431 176.300 -0.392 0.000 1.171 579 D CA 0.167 54.075 54.000 -0.154 0.000 1.006 579 D CB 0.003 40.807 40.800 0.006 0.000 1.073 579 D HN 0.824 nan 8.370 nan 0.000 0.513 580 H N 2.279 120.912 119.070 -0.729 0.000 2.353 580 H HA -0.134 4.421 4.556 -0.001 0.000 0.300 580 H C 1.481 176.665 175.328 -0.240 0.000 1.090 580 H CA 1.157 56.803 56.048 -0.670 0.000 1.327 580 H CB -0.199 29.195 29.762 -0.614 0.000 1.383 580 H HN 0.498 nan 8.280 nan 0.000 0.508 581 E N 1.397 121.243 120.200 -0.590 0.000 2.048 581 E HA -0.217 4.133 4.350 -0.001 0.000 0.202 581 E C 2.310 178.841 176.600 -0.115 0.000 1.021 581 E CA 1.495 57.723 56.400 -0.287 0.000 0.825 581 E CB 0.005 29.504 29.700 -0.335 0.000 0.756 581 E HN 0.435 nan 8.360 nan 0.000 0.454 582 R N -0.416 120.021 120.500 -0.105 0.000 2.276 582 R HA 0.027 4.367 4.340 -0.001 0.000 0.196 582 R C 0.181 176.509 176.300 0.047 0.000 0.961 582 R CA 0.452 56.548 56.100 -0.008 0.000 1.024 582 R CB 0.274 30.588 30.300 0.023 0.000 0.940 582 R HN -0.024 nan 8.270 nan 0.000 0.480 583 K N 0.803 121.233 120.400 0.049 0.000 3.239 583 K HA -0.167 4.153 4.320 -0.001 0.000 0.270 583 K C -1.238 175.481 176.600 0.199 0.000 1.083 583 K CA 0.612 56.996 56.287 0.162 0.000 0.782 583 K CB -0.899 31.692 32.500 0.151 0.000 1.290 583 K HN 0.216 nan 8.250 nan 0.000 0.474 584 R N -0.970 119.659 120.500 0.215 0.000 2.947 584 R HA 0.761 5.101 4.340 -0.001 0.000 0.253 584 R C -1.065 175.423 176.300 0.313 0.000 1.208 584 R CA -0.483 55.755 56.100 0.229 0.000 1.012 584 R CB 1.906 32.316 30.300 0.183 0.000 1.267 584 R HN 0.261 nan 8.270 nan 0.000 0.473 585 C N 1.349 120.830 119.300 0.302 0.000 2.516 585 C HA 0.634 5.093 4.460 -0.001 0.000 0.338 585 C C -1.187 174.023 174.990 0.365 0.000 1.132 585 C CA -0.496 58.715 59.018 0.321 0.000 1.310 585 C CB -0.023 27.852 27.740 0.224 0.000 1.898 585 C HN 0.658 nan 8.230 nan 0.000 0.452 586 I N 5.451 126.189 120.570 0.279 0.000 2.392 586 I HA 0.573 4.742 4.170 -0.001 0.000 0.295 586 I C 0.453 176.727 176.117 0.260 0.000 0.985 586 I CA 0.612 62.055 61.300 0.238 0.000 1.221 586 I CB 2.037 40.133 38.000 0.160 0.000 1.366 586 I HN 0.813 nan 8.210 nan 0.000 0.467 587 S N 4.218 120.106 115.700 0.313 0.000 2.526 587 S HA 0.932 5.401 4.470 -0.001 0.000 0.293 587 S C -0.768 173.909 174.600 0.128 0.000 1.092 587 S CA -0.852 57.504 58.200 0.260 0.000 0.980 587 S CB 1.976 65.451 63.200 0.460 0.000 1.048 587 S HN 0.778 nan 8.310 nan 0.000 0.483 588 A N 1.480 124.315 122.820 0.025 0.000 2.319 588 A HA 0.831 5.150 4.320 -0.001 0.000 0.310 588 A C -0.036 177.498 177.584 -0.084 0.000 1.152 588 A CA -0.637 51.392 52.037 -0.013 0.000 0.783 588 A CB 1.336 20.363 19.000 0.045 0.000 1.184 588 A HN 1.056 nan 8.150 nan 0.000 0.474 592 T N -0.932 113.657 114.554 0.058 0.000 6.974 592 T HA -0.178 4.171 4.350 -0.001 0.000 0.287 592 T C 0.258 175.031 174.700 0.120 0.000 2.146 592 T CA 1.867 64.013 62.100 0.077 0.000 3.451 592 T CB -1.730 67.187 68.868 0.082 0.000 1.630 592 T HN 0.947 nan 8.240 nan 0.000 1.173 593 T N -0.766 113.868 114.554 0.133 0.000 2.949 593 T HA 0.826 5.176 4.350 -0.001 0.000 0.287 593 T C -0.280 174.516 174.700 0.160 0.000 1.034 593 T CA -0.995 61.196 62.100 0.151 0.000 1.018 593 T CB 2.121 71.078 68.868 0.148 0.000 1.135 593 T HN 0.292 nan 8.240 nan 0.000 0.532 594 I N 0.707 121.333 120.570 0.093 0.000 2.509 594 I HA 0.533 4.703 4.170 -0.001 0.000 0.293 594 I C 0.098 176.210 176.117 -0.008 0.000 1.020 594 I CA -1.007 60.321 61.300 0.046 0.000 1.088 594 I CB 2.111 40.036 38.000 -0.125 0.000 1.267 594 I HN 0.517 nan 8.210 nan 0.000 0.430 595 R N 5.893 126.445 120.500 0.086 0.000 2.621 595 R HA 0.645 4.984 4.340 -0.001 0.000 0.292 595 R C -1.307 174.831 176.300 -0.271 0.000 0.969 595 R CA -0.978 54.999 56.100 -0.205 0.000 0.887 595 R CB 2.462 32.551 30.300 -0.351 0.000 1.180 595 R HN 0.376 nan 8.270 nan 0.000 0.450 596 I N 2.299 122.561 120.570 -0.514 0.000 2.354 596 I HA 0.360 4.529 4.170 -0.001 0.000 0.292 596 I C -0.661 175.162 176.117 -0.490 0.000 0.989 596 I CA -0.971 60.103 61.300 -0.378 0.000 1.188 596 I CB 0.883 38.592 38.000 -0.485 0.000 1.342 596 I HN 0.507 nan 8.210 nan 0.000 0.457 597 W N 3.531 124.763 121.300 -0.113 0.000 2.761 597 W HA 0.390 5.050 4.660 -0.001 0.000 0.340 597 W C 0.050 176.506 176.519 -0.104 0.000 1.072 597 W CA -0.609 56.662 57.345 -0.122 0.000 1.215 597 W CB 0.764 30.172 29.460 -0.087 0.000 1.420 597 W HN 0.333 nan 8.180 nan 0.000 0.519 598 D N 2.334 122.770 120.400 0.061 0.000 2.396 598 D HA 0.176 4.815 4.640 -0.001 0.000 0.225 598 D C 0.361 176.645 176.300 -0.027 0.000 1.121 598 D CA -0.087 53.914 54.000 0.001 0.000 0.853 598 D CB 0.990 41.747 40.800 -0.072 0.000 1.043 598 D HN 0.451 nan 8.370 nan 0.000 0.500 599 L N 2.969 124.223 121.223 0.051 0.000 2.713 599 L HA 0.087 4.426 4.340 -0.001 0.000 0.245 599 L C 1.011 177.922 176.870 0.069 0.000 1.169 599 L CA 0.308 55.174 54.840 0.043 0.000 0.962 599 L CB -0.206 41.963 42.059 0.183 0.000 1.161 599 L HN 0.275 nan 8.230 nan 0.000 0.427 606 G N 0.827 108.915 108.800 -1.185 0.000 2.155 606 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.257 606 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.257 606 G C -0.423 174.326 174.900 -0.251 0.000 0.983 606 G CA 1.029 45.564 45.100 -0.943 0.000 0.676 606 G HN 0.777 nan 8.290 nan 0.000 0.528 607 E N 0.002 120.103 120.200 -0.165 0.000 2.242 607 E HA 0.742 5.092 4.350 -0.001 0.000 0.275 607 E C 0.577 177.140 176.600 -0.062 0.000 1.002 607 E CA -1.296 55.071 56.400 -0.054 0.000 0.841 607 E CB 1.324 30.968 29.700 -0.095 0.000 1.109 607 E HN 0.410 nan 8.360 nan 0.000 0.394 627 T N 3.451 117.925 114.554 -0.135 0.000 2.847 627 T HA 0.635 4.984 4.350 -0.001 0.000 0.291 627 T C -0.920 173.677 174.700 -0.171 0.000 0.998 627 T CA -0.639 61.343 62.100 -0.198 0.000 0.967 627 T CB 0.321 69.087 68.868 -0.170 0.000 0.954 627 T HN 0.379 nan 8.240 nan 0.000 0.441 628 L N 3.419 124.485 121.223 -0.261 0.000 2.289 628 L HA 0.587 4.927 4.340 -0.001 0.000 0.285 628 L C 0.105 176.916 176.870 -0.099 0.000 1.049 628 L CA -0.825 53.807 54.840 -0.346 0.000 0.804 628 L CB 1.235 42.696 42.059 -0.997 0.000 1.195 628 L HN 0.475 nan 8.230 nan 0.000 0.428 629 Q N 2.106 121.949 119.800 0.072 0.000 2.523 629 Q HA 0.451 4.790 4.340 -0.001 0.000 0.251 629 Q C 0.052 176.180 176.000 0.214 0.000 1.033 629 Q CA -0.144 55.741 55.803 0.137 0.000 0.746 629 Q CB 1.382 30.166 28.738 0.077 0.000 1.189 629 Q HN 0.747 nan 8.270 nan 0.000 0.508 630 G N 2.646 111.592 108.800 0.244 0.000 4.299 630 G HA2 0.206 4.165 3.960 -0.001 0.000 0.290 630 G HA3 0.206 4.165 3.960 -0.001 0.000 0.290 630 G C -0.543 174.141 174.900 -0.361 0.000 1.019 630 G CA -0.157 44.938 45.100 -0.007 0.000 0.790 630 G HN 0.534 nan 8.290 nan 0.000 0.452 631 H N -0.234 118.912 119.070 0.128 0.000 2.894 631 H HA 0.289 4.845 4.556 -0.001 0.000 0.367 631 H C 0.042 175.411 175.328 0.069 0.000 1.144 631 H CA 0.099 56.197 56.048 0.085 0.000 1.180 631 H CB 2.069 31.880 29.762 0.081 0.000 1.758 631 H HN 0.126 nan 8.280 nan 0.000 0.541 632 T N -1.122 113.538 114.554 0.177 0.000 3.092 632 T HA 0.605 4.955 4.350 -0.001 0.000 0.258 632 T C 0.602 175.359 174.700 0.095 0.000 1.031 632 T CA 0.037 62.206 62.100 0.115 0.000 0.925 632 T CB 0.204 69.128 68.868 0.094 0.000 1.036 632 T HN 0.595 nan 8.240 nan 0.000 0.544 633 A N 1.282 124.163 122.820 0.101 0.000 2.524 633 A HA 0.746 5.066 4.320 -0.001 0.000 0.286 633 A C -0.521 177.062 177.584 -0.002 0.000 1.203 633 A CA -1.030 51.032 52.037 0.043 0.000 0.736 633 A CB 0.693 19.715 19.000 0.038 0.000 1.322 633 A HN 0.394 nan 8.150 nan 0.000 0.424 634 L N 1.235 122.421 121.223 -0.062 0.000 2.559 634 L HA 0.284 4.623 4.340 -0.001 0.000 0.274 634 L C -0.795 175.976 176.870 -0.166 0.000 1.205 634 L CA 0.626 55.381 54.840 -0.142 0.000 0.907 634 L CB 0.202 42.109 42.059 -0.253 0.000 1.153 634 L HN 0.345 nan 8.230 nan 0.000 0.490 635 V N 6.909 126.725 119.914 -0.163 0.000 2.247 635 V HA 0.254 4.374 4.120 -0.001 0.000 0.262 635 V C 1.333 177.367 176.094 -0.100 0.000 1.096 635 V CA 0.156 62.339 62.300 -0.195 0.000 0.895 635 V CB 0.413 32.109 31.823 -0.212 0.000 1.141 635 V HN 1.001 nan 8.190 nan 0.000 0.478 636 G N 4.540 113.289 108.800 -0.084 0.000 3.088 636 G HA2 0.315 4.274 3.960 -0.001 0.000 0.217 636 G HA3 0.315 4.274 3.960 -0.001 0.000 0.217 636 G C 0.280 175.254 174.900 0.124 0.000 1.159 636 G CA 0.072 45.190 45.100 0.030 0.000 0.760 636 G HN 0.502 nan 8.290 nan 0.000 0.550 637 L N 0.228 121.533 121.223 0.136 0.000 2.370 637 L HA 0.714 5.054 4.340 -0.001 0.000 0.266 637 L C -0.873 176.170 176.870 0.288 0.000 1.002 637 L CA -0.848 54.122 54.840 0.216 0.000 0.818 637 L CB 2.493 44.743 42.059 0.318 0.000 1.325 637 L HN -0.116 nan 8.230 nan 0.000 0.418 638 L N 2.595 123.965 121.223 0.244 0.000 2.505 638 L HA 0.630 4.969 4.340 -0.001 0.000 0.259 638 L C -1.067 175.930 176.870 0.211 0.000 0.952 638 L CA -0.777 54.236 54.840 0.288 0.000 0.840 638 L CB 2.577 44.757 42.059 0.202 0.000 1.358 638 L HN 0.554 nan 8.230 nan 0.000 0.409 639 R N 2.663 123.351 120.500 0.313 0.000 2.698 639 R HA 0.580 4.919 4.340 -0.001 0.000 0.275 639 R C -1.573 174.850 176.300 0.205 0.000 1.001 639 R CA -0.694 55.511 56.100 0.175 0.000 0.896 639 R CB 2.828 33.212 30.300 0.140 0.000 1.218 639 R HN 0.511 nan 8.270 nan 0.000 0.462 640 L N 1.951 123.247 121.223 0.121 0.000 2.318 640 L HA 0.338 4.677 4.340 -0.001 0.000 0.277 640 L C 0.008 176.926 176.870 0.079 0.000 1.008 640 L CA -0.286 54.627 54.840 0.121 0.000 0.846 640 L CB 1.615 43.722 42.059 0.081 0.000 1.220 640 L HN 0.658 nan 8.230 nan 0.000 0.423 641 S N 1.694 117.471 115.700 0.128 0.000 2.646 641 S HA 0.077 4.547 4.470 -0.001 0.000 0.276 641 S C 0.858 175.467 174.600 0.014 0.000 1.222 641 S CA -0.334 57.922 58.200 0.093 0.000 1.014 641 S CB 1.622 64.958 63.200 0.226 0.000 0.991 641 S HN 0.791 nan 8.310 nan 0.000 0.533 642 D N 1.037 121.421 120.400 -0.027 0.000 2.228 642 D HA -0.113 4.527 4.640 -0.001 0.000 0.203 642 D C 1.621 177.830 176.300 -0.151 0.000 0.988 642 D CA 1.501 55.456 54.000 -0.075 0.000 0.864 642 D CB 0.139 40.904 40.800 -0.058 0.000 0.928 642 D HN 0.600 nan 8.370 nan 0.000 0.469 643 K N -2.095 118.153 120.400 -0.254 0.000 2.425 643 K HA 0.209 4.529 4.320 -0.001 0.000 0.201 643 K C -0.574 175.634 176.600 -0.654 0.000 1.128 643 K CA -0.105 55.863 56.287 -0.531 0.000 1.000 643 K CB 0.622 32.637 32.500 -0.807 0.000 0.961 643 K HN 0.013 nan 8.250 nan 0.000 0.555 644 F N 0.315 120.305 119.950 0.067 0.000 2.603 644 F HA 0.390 4.916 4.527 -0.001 0.000 0.317 644 F C -0.966 174.905 175.800 0.119 0.000 1.066 644 F CA -1.538 56.517 58.000 0.092 0.000 0.941 644 F CB 1.508 40.624 39.000 0.194 0.000 1.291 644 F HN -0.313 nan 8.300 nan 0.000 0.472 645 L N 3.067 124.523 121.223 0.387 0.000 2.298 645 L HA 0.765 5.104 4.340 -0.001 0.000 0.284 645 L C -1.350 175.778 176.870 0.430 0.000 1.013 645 L CA -0.549 54.511 54.840 0.366 0.000 0.824 645 L CB 1.192 43.478 42.059 0.380 0.000 1.221 645 L HN 0.377 nan 8.230 nan 0.000 0.418 646 V N 3.957 124.100 119.914 0.383 0.000 2.513 646 V HA 0.828 4.947 4.120 -0.001 0.000 0.299 646 V C -0.130 176.174 176.094 0.351 0.000 1.035 646 V CA -0.233 62.245 62.300 0.296 0.000 0.889 646 V CB 1.794 33.770 31.823 0.254 0.000 0.988 646 V HN 0.938 nan 8.190 nan 0.000 0.440 647 S N 2.543 118.407 115.700 0.274 0.000 2.541 647 S HA 0.943 5.413 4.470 -0.001 0.000 0.280 647 S C -0.692 173.996 174.600 0.148 0.000 1.112 647 S CA -0.503 57.872 58.200 0.293 0.000 0.925 647 S CB 2.132 65.573 63.200 0.401 0.000 1.067 647 S HN 1.382 nan 8.310 nan 0.000 0.479 648 A N 1.171 124.044 122.820 0.089 0.000 2.414 648 A HA 0.998 5.317 4.320 -0.001 0.000 0.306 648 A C -0.214 177.309 177.584 -0.101 0.000 1.054 648 A CA -0.595 51.453 52.037 0.019 0.000 0.724 648 A CB 1.389 20.446 19.000 0.095 0.000 1.267 648 A HN 1.756 nan 8.150 nan 0.000 0.418 649 A N 0.234 122.989 122.820 -0.109 0.000 2.387 649 A HA 0.777 5.096 4.320 -0.001 0.000 0.298 649 A C 0.961 178.514 177.584 -0.052 0.000 1.165 649 A CA 0.004 51.967 52.037 -0.123 0.000 0.814 649 A CB 0.737 19.679 19.000 -0.097 0.000 1.357 649 A HN 2.143 nan 8.150 nan 0.000 0.443 650 A N -0.210 122.581 122.820 -0.049 0.000 2.216 650 A HA 0.019 4.339 4.320 -0.001 0.000 0.214 650 A C 0.860 178.451 177.584 0.011 0.000 1.160 650 A CA 1.847 53.870 52.037 -0.023 0.000 0.725 650 A CB -0.660 18.314 19.000 -0.044 0.000 0.784 650 A HN 0.789 nan 8.150 nan 0.000 0.472 651 D N -2.804 117.610 120.400 0.022 0.000 2.340 651 D HA 0.306 4.945 4.640 -0.001 0.000 0.217 651 D C 1.094 177.418 176.300 0.040 0.000 1.081 651 D CA 0.586 54.630 54.000 0.073 0.000 0.842 651 D CB -0.519 40.357 40.800 0.127 0.000 0.934 651 D HN 0.578 nan 8.370 nan 0.000 0.511 652 G N 0.359 109.119 108.800 -0.067 0.000 2.179 652 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.260 652 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.260 652 G C 0.375 175.017 174.900 -0.430 0.000 0.977 652 G CA 0.437 45.441 45.100 -0.161 0.000 0.641 652 G HN 0.834 nan 8.290 nan 0.000 0.533 653 S N -0.451 114.936 115.700 -0.522 0.000 2.610 653 S HA 0.802 5.271 4.470 -0.001 0.000 0.273 653 S C -0.092 174.432 174.600 -0.127 0.000 1.274 653 S CA -0.551 57.317 58.200 -0.553 0.000 1.023 653 S CB 2.107 65.100 63.200 -0.345 0.000 0.962 653 S HN 0.698 nan 8.310 nan 0.000 0.523 654 I N 1.581 122.095 120.570 -0.095 0.000 2.534 654 I HA 0.487 4.656 4.170 -0.001 0.000 0.288 654 I C -0.131 175.932 176.117 -0.089 0.000 1.077 654 I CA -0.641 60.640 61.300 -0.032 0.000 1.051 654 I CB 2.147 40.101 38.000 -0.077 0.000 1.234 654 I HN 0.598 nan 8.210 nan 0.000 0.425 655 R N 3.326 123.771 120.500 -0.092 0.000 2.750 655 R HA 0.753 5.092 4.340 -0.001 0.000 0.281 655 R C -0.456 175.442 176.300 -0.670 0.000 0.972 655 R CA -0.986 54.834 56.100 -0.467 0.000 0.912 655 R CB 2.520 32.450 30.300 -0.616 0.000 1.187 655 R HN 0.790 nan 8.270 nan 0.000 0.464 656 G N 1.843 109.764 108.800 -1.464 0.000 2.557 656 G HA2 0.535 4.494 3.960 -0.001 0.000 0.310 656 G HA3 0.535 4.494 3.960 -0.001 0.000 0.310 656 G C -1.572 172.594 174.900 -1.222 0.000 1.328 656 G CA -0.469 43.599 45.100 -1.721 0.000 0.945 656 G HN 0.400 nan 8.290 nan 0.000 0.494 657 W N 0.714 121.820 121.300 -0.323 0.000 2.706 657 W HA 0.481 5.141 4.660 -0.001 0.000 0.346 657 W C -0.052 176.451 176.519 -0.027 0.000 1.071 657 W CA -1.067 56.201 57.345 -0.127 0.000 1.206 657 W CB 1.212 30.687 29.460 0.025 0.000 1.413 657 W HN 0.585 nan 8.180 nan 0.000 0.542 658 D N 0.756 121.243 120.400 0.144 0.000 2.458 658 D HA 0.239 4.879 4.640 -0.001 0.000 0.243 658 D C 1.214 177.386 176.300 -0.213 0.000 1.146 658 D CA 0.510 54.509 54.000 -0.001 0.000 0.877 658 D CB 1.356 42.107 40.800 -0.082 0.000 1.176 658 D HN 0.494 nan 8.370 nan 0.000 0.461 659 A N 4.171 126.879 122.820 -0.187 0.000 2.178 659 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 659 A C 1.812 179.106 177.584 -0.484 0.000 1.157 659 A CA 0.984 52.868 52.037 -0.255 0.000 0.689 659 A CB -0.355 18.574 19.000 -0.119 0.000 0.787 659 A HN 0.740 nan 8.150 nan 0.000 0.465 660 N N -0.510 117.889 118.700 -0.502 0.000 2.606 660 N HA -0.077 4.662 4.740 -0.001 0.000 0.208 660 N C 0.589 175.836 175.510 -0.440 0.000 1.046 660 N CA 1.353 54.171 53.050 -0.387 0.000 0.891 660 N CB 0.336 38.720 38.487 -0.172 0.000 1.344 660 N HN 0.530 nan 8.380 nan 0.000 0.437 661 D N -1.468 118.691 120.400 -0.401 0.000 2.407 661 D HA 0.030 4.670 4.640 -0.001 0.000 0.208 661 D C -0.317 175.906 176.300 -0.129 0.000 1.083 661 D CA -0.154 53.745 54.000 -0.169 0.000 0.844 661 D CB -0.438 40.310 40.800 -0.088 0.000 0.967 661 D HN 0.209 nan 8.370 nan 0.000 0.506 662 Y N 0.368 120.646 120.300 -0.037 0.000 3.825 662 Y HA -0.285 4.265 4.550 -0.001 0.000 0.221 662 Y C 0.317 176.290 175.900 0.123 0.000 1.195 662 Y CA 0.383 58.505 58.100 0.038 0.000 1.699 662 Y CB -2.910 35.465 38.460 -0.142 0.000 1.531 662 Y HN 0.212 nan 8.280 nan 0.000 0.640 663 S N -0.175 115.583 115.700 0.097 0.000 2.580 663 S HA 0.575 5.045 4.470 -0.001 0.000 0.274 663 S C 0.291 174.910 174.600 0.033 0.000 1.329 663 S CA -1.079 57.157 58.200 0.060 0.000 1.036 663 S CB 1.228 64.422 63.200 -0.009 0.000 0.919 663 S HN 0.352 nan 8.310 nan 0.000 0.515 664 R N 1.823 122.281 120.500 -0.070 0.000 2.446 664 R HA 0.134 4.473 4.340 -0.001 0.000 0.325 664 R C 0.907 177.045 176.300 -0.270 0.000 0.997 664 R CA -0.151 55.767 56.100 -0.305 0.000 1.010 664 R CB 0.289 30.393 30.300 -0.327 0.000 0.946 664 R HN 0.562 nan 8.270 nan 0.000 0.422 665 K N 2.686 122.863 120.400 -0.373 0.000 2.313 665 K HA 0.132 4.451 4.320 -0.001 0.000 0.197 665 K C 0.053 176.505 176.600 -0.246 0.000 1.061 665 K CA 0.805 56.953 56.287 -0.231 0.000 0.980 665 K CB 0.438 32.895 32.500 -0.072 0.000 0.888 665 K HN 0.472 nan 8.250 nan 0.000 0.502 666 F N -1.337 118.335 119.950 -0.463 0.000 2.770 666 F HA 0.461 4.988 4.527 -0.001 0.000 0.313 666 F C -1.395 173.982 175.800 -0.705 0.000 1.154 666 F CA -1.705 55.947 58.000 -0.579 0.000 0.923 666 F CB 0.953 39.598 39.000 -0.592 0.000 1.301 666 F HN -0.155 nan 8.300 nan 0.000 0.449 667 S N 0.735 116.105 115.700 -0.551 0.000 2.562 667 S HA 0.785 5.254 4.470 -0.001 0.000 0.274 667 S C -2.227 171.956 174.600 -0.694 0.000 1.160 667 S CA -0.618 57.263 58.200 -0.531 0.000 0.933 667 S CB 0.948 63.894 63.200 -0.425 0.000 1.100 667 S HN 0.855 nan 8.310 nan 0.000 0.468 668 Y N 0.665 120.886 120.300 -0.131 0.000 2.570 668 Y HA 0.666 5.216 4.550 -0.001 0.000 0.345 668 Y C -0.006 175.885 175.900 -0.014 0.000 1.014 668 Y CA -0.875 57.145 58.100 -0.134 0.000 1.063 668 Y CB 2.196 40.388 38.460 -0.447 0.000 1.272 668 Y HN 0.934 nan 8.280 nan 0.000 0.477 669 H N 0.087 119.284 119.070 0.212 0.000 2.934 669 H HA 0.344 4.900 4.556 -0.001 0.000 0.340 669 H C -1.319 174.180 175.328 0.285 0.000 1.008 669 H CA -0.861 55.301 56.048 0.190 0.000 1.317 669 H CB 0.609 30.431 29.762 0.101 0.000 1.670 669 H HN 0.641 nan 8.280 nan 0.000 0.516 670 H N 2.659 121.858 119.070 0.215 0.000 3.004 670 H HA -0.019 4.537 4.556 -0.001 0.000 0.316 670 H C 1.231 176.685 175.328 0.209 0.000 1.014 670 H CA 0.759 56.926 56.048 0.197 0.000 1.454 670 H CB 0.915 30.763 29.762 0.143 0.000 1.472 670 H HN 0.756 nan 8.280 nan 0.000 0.571 671 T N 2.108 116.786 114.554 0.206 0.000 2.721 671 T HA -0.213 4.137 4.350 -0.001 0.000 0.268 671 T C 1.417 176.196 174.700 0.131 0.000 1.038 671 T CA 1.794 63.976 62.100 0.137 0.000 1.145 671 T CB -0.161 68.749 68.868 0.071 0.000 0.858 671 T HN 0.702 nan 8.240 nan 0.000 0.459 672 N N 1.782 120.572 118.700 0.150 0.000 2.295 672 N HA 0.100 4.839 4.740 -0.001 0.000 0.221 672 N C 0.661 176.259 175.510 0.147 0.000 1.129 672 N CA -0.062 53.063 53.050 0.124 0.000 0.836 672 N CB -1.025 37.525 38.487 0.105 0.000 1.040 672 N HN 0.434 nan 8.380 nan 0.000 0.494 673 L N -0.946 120.395 121.223 0.198 0.000 4.245 673 L HA -0.299 4.040 4.340 -0.001 0.000 0.438 673 L C -0.075 176.891 176.870 0.160 0.000 1.121 673 L CA 0.936 55.903 54.840 0.213 0.000 0.984 673 L CB -2.716 39.435 42.059 0.154 0.000 1.873 673 L HN 0.426 nan 8.230 nan 0.000 1.054 674 S N -0.561 115.229 115.700 0.150 0.000 2.580 674 S HA 0.664 5.134 4.470 -0.001 0.000 0.274 674 S C 0.685 175.327 174.600 0.070 0.000 1.329 674 S CA -0.376 57.890 58.200 0.110 0.000 1.036 674 S CB 1.802 65.073 63.200 0.117 0.000 0.919 674 S HN 0.436 nan 8.310 nan 0.000 0.515 675 A N 3.265 126.119 122.820 0.057 0.000 2.546 675 A HA 0.318 4.637 4.320 -0.001 0.000 0.243 675 A C 0.558 178.147 177.584 0.009 0.000 1.063 675 A CA -0.508 51.546 52.037 0.028 0.000 0.757 675 A CB -0.487 18.541 19.000 0.045 0.000 0.991 675 A HN 0.756 nan 8.150 nan 0.000 0.503 676 I N 4.013 124.557 120.570 -0.043 0.000 2.671 676 I HA -0.013 4.156 4.170 -0.001 0.000 0.285 676 I C 1.352 177.520 176.117 0.085 0.000 1.148 676 I CA 0.761 62.031 61.300 -0.049 0.000 1.386 676 I CB -0.449 37.516 38.000 -0.058 0.000 1.406 676 I HN 0.733 nan 8.210 nan 0.000 0.540 677 T N 3.661 118.292 114.554 0.128 0.000 3.035 677 T HA 0.008 4.357 4.350 -0.001 0.000 0.259 677 T C 0.911 175.754 174.700 0.239 0.000 1.078 677 T CA 0.802 63.026 62.100 0.206 0.000 1.132 677 T CB 0.250 69.252 68.868 0.224 0.000 0.900 677 T HN 0.736 nan 8.240 nan 0.000 0.480 678 T N 0.469 115.174 114.554 0.251 0.000 2.770 678 T HA 0.516 4.865 4.350 -0.001 0.000 0.323 678 T C -2.325 172.603 174.700 0.380 0.000 1.683 678 T CA -0.877 61.381 62.100 0.263 0.000 1.024 678 T CB 1.082 70.104 68.868 0.255 0.000 1.557 678 T HN 0.212 nan 8.240 nan 0.000 0.494 679 F N 1.223 121.314 119.950 0.235 0.000 2.799 679 F HA 0.786 5.312 4.527 -0.001 0.000 0.316 679 F C -2.686 173.316 175.800 0.337 0.000 1.155 679 F CA -1.271 56.883 58.000 0.257 0.000 0.916 679 F CB 0.659 39.774 39.000 0.191 0.000 1.294 679 F HN 0.766 nan 8.300 nan 0.000 0.447 680 Y N 1.650 122.255 120.300 0.508 0.000 2.597 680 Y HA 0.790 5.339 4.550 -0.001 0.000 0.340 680 Y C -1.499 174.750 175.900 0.582 0.000 1.097 680 Y CA -0.759 57.524 58.100 0.305 0.000 1.037 680 Y CB 2.336 40.911 38.460 0.191 0.000 1.305 680 Y HN 0.847 nan 8.280 nan 0.000 0.463 681 V N 0.805 120.753 119.914 0.057 0.000 3.147 681 V HA 0.902 5.021 4.120 -0.001 0.000 0.306 681 V C -0.855 175.292 176.094 0.088 0.000 1.209 681 V CA -0.554 61.916 62.300 0.282 0.000 1.023 681 V CB 1.135 33.159 31.823 0.336 0.000 1.059 681 V HN 0.901 nan 8.190 nan 0.000 0.435 682 S N -0.973 114.897 115.700 0.283 0.000 2.697 682 S HA 0.534 5.003 4.470 -0.001 0.000 0.289 682 S C -0.045 174.707 174.600 0.254 0.000 1.149 682 S CA -0.435 57.882 58.200 0.195 0.000 0.850 682 S CB 2.008 65.345 63.200 0.228 0.000 1.151 682 S HN 0.644 nan 8.310 nan 0.000 0.491 683 D N 0.782 121.286 120.400 0.174 0.000 2.264 683 D HA 0.001 4.641 4.640 -0.001 0.000 0.208 683 D C 0.861 177.313 176.300 0.254 0.000 0.966 683 D CA 0.973 55.085 54.000 0.187 0.000 0.864 683 D CB -0.231 40.568 40.800 -0.001 0.000 0.933 683 D HN 0.484 nan 8.370 nan 0.000 0.499 684 N N -0.458 118.340 118.700 0.164 0.000 2.368 684 N HA 0.146 4.886 4.740 -0.001 0.000 0.178 684 N C 0.481 176.086 175.510 0.159 0.000 1.076 684 N CA 0.158 53.304 53.050 0.159 0.000 0.889 684 N CB 1.839 40.328 38.487 0.003 0.000 1.040 684 N HN 0.201 nan 8.380 nan 0.000 0.463 685 I N 0.666 121.289 120.570 0.088 0.000 2.894 685 I HA 0.318 4.488 4.170 -0.001 0.000 0.302 685 I C -1.600 174.591 176.117 0.124 0.000 1.188 685 I CA -1.019 60.276 61.300 -0.008 0.000 1.014 685 I CB 3.146 40.885 38.000 -0.435 0.000 1.242 685 I HN -0.229 nan 8.210 nan 0.000 0.430 686 L N 5.916 127.164 121.223 0.041 0.000 2.406 686 L HA 0.662 5.001 4.340 -0.001 0.000 0.272 686 L C -1.568 175.407 176.870 0.176 0.000 0.980 686 L CA -0.383 54.545 54.840 0.146 0.000 0.831 686 L CB 1.809 43.815 42.059 -0.089 0.000 1.253 686 L HN 0.284 nan 8.230 nan 0.000 0.406 687 V N 4.192 124.289 119.914 0.304 0.000 2.409 687 V HA 0.759 4.879 4.120 -0.001 0.000 0.291 687 V C -0.292 175.949 176.094 0.244 0.000 1.020 687 V CA -0.155 62.232 62.300 0.144 0.000 0.848 687 V CB 1.748 33.649 31.823 0.130 0.000 0.990 687 V HN 0.930 nan 8.190 nan 0.000 0.430 688 S N 3.205 118.989 115.700 0.140 0.000 2.542 688 S HA 0.945 5.415 4.470 -0.001 0.000 0.293 688 S C -0.285 174.467 174.600 0.253 0.000 1.089 688 S CA -0.514 57.863 58.200 0.294 0.000 0.961 688 S CB 2.213 65.648 63.200 0.392 0.000 1.062 688 S HN 1.077 nan 8.310 nan 0.000 0.483 689 G N 0.483 109.477 108.800 0.323 0.000 2.591 689 G HA2 0.712 4.672 3.960 -0.001 0.000 0.306 689 G HA3 0.712 4.672 3.960 -0.001 0.000 0.306 689 G C -0.783 174.278 174.900 0.269 0.000 1.334 689 G CA -0.499 44.822 45.100 0.368 0.000 0.981 689 G HN 1.456 nan 8.290 nan 0.000 0.491 690 S N 0.061 115.930 115.700 0.282 0.000 2.656 690 S HA 0.589 5.058 4.470 -0.001 0.000 0.273 690 S C -0.526 174.152 174.600 0.129 0.000 1.168 690 S CA -0.816 57.485 58.200 0.168 0.000 0.817 690 S CB 1.632 64.935 63.200 0.173 0.000 1.146 690 S HN 0.871 nan 8.310 nan 0.000 0.475 691 E N 0.641 120.882 120.200 0.069 0.000 2.652 691 E HA -0.017 4.333 4.350 -0.001 0.000 0.255 691 E C 0.013 176.650 176.600 0.061 0.000 0.952 691 E CA 1.117 57.532 56.400 0.024 0.000 0.947 691 E CB -0.647 29.076 29.700 0.038 0.000 0.912 691 E HN 0.720 nan 8.360 nan 0.000 0.489 692 N N 2.321 121.037 118.700 0.027 0.000 2.778 692 N HA -0.253 4.487 4.740 -0.001 0.000 0.249 692 N C -0.913 174.635 175.510 0.064 0.000 1.069 692 N CA 0.869 53.941 53.050 0.036 0.000 0.831 692 N CB -0.477 38.032 38.487 0.037 0.000 1.142 692 N HN 0.598 nan 8.380 nan 0.000 0.573 693 Q N -0.402 119.466 119.800 0.114 0.000 2.331 693 Q HA 0.606 4.946 4.340 -0.001 0.000 0.272 693 Q C -1.729 174.408 176.000 0.229 0.000 1.062 693 Q CA -0.571 55.302 55.803 0.117 0.000 0.806 693 Q CB 2.162 30.949 28.738 0.082 0.000 1.312 693 Q HN 0.203 nan 8.270 nan 0.000 0.431 694 F N 2.549 122.490 119.950 -0.015 0.000 2.730 694 F HA 0.426 4.952 4.527 -0.001 0.000 0.335 694 F C -1.494 174.282 175.800 -0.040 0.000 1.212 694 F CA -0.243 57.775 58.000 0.030 0.000 1.016 694 F CB 1.180 40.193 39.000 0.021 0.000 1.290 694 F HN 0.501 nan 8.300 nan 0.000 0.495 695 N N 5.966 124.431 118.700 -0.392 0.000 2.292 695 N HA 0.739 5.478 4.740 -0.001 0.000 0.303 695 N C -1.547 173.631 175.510 -0.553 0.000 1.140 695 N CA -0.862 51.899 53.050 -0.481 0.000 0.788 695 N CB 2.688 40.807 38.487 -0.612 0.000 1.361 695 N HN 0.361 nan 8.380 nan 0.000 0.489 696 I N 1.867 122.107 120.570 -0.550 0.000 2.465 696 I HA 0.363 4.532 4.170 -0.001 0.000 0.291 696 I C -1.326 174.452 176.117 -0.564 0.000 1.014 696 I CA -0.678 60.428 61.300 -0.323 0.000 1.093 696 I CB 1.114 39.140 38.000 0.043 0.000 1.267 696 I HN 0.436 nan 8.210 nan 0.000 0.431 697 Y N 3.923 124.078 120.300 -0.242 0.000 2.425 697 Y HA 0.316 4.865 4.550 -0.001 0.000 0.344 697 Y C 0.210 175.978 175.900 -0.219 0.000 0.969 697 Y CA -0.945 56.949 58.100 -0.343 0.000 1.052 697 Y CB 1.456 39.486 38.460 -0.716 0.000 1.215 697 Y HN 0.457 nan 8.280 nan 0.000 0.451 698 N N 3.266 121.936 118.700 -0.049 0.000 2.406 698 N HA 0.031 4.771 4.740 -0.001 0.000 0.251 698 N C 0.092 175.530 175.510 -0.120 0.000 1.069 698 N CA -0.024 52.962 53.050 -0.107 0.000 0.947 698 N CB 0.972 39.191 38.487 -0.447 0.000 1.111 698 N HN 0.712 nan 8.380 nan 0.000 0.497 699 L N 4.101 125.294 121.223 -0.050 0.000 2.551 699 L HA 0.094 4.434 4.340 -0.001 0.000 0.228 699 L C 2.137 178.999 176.870 -0.015 0.000 1.153 699 L CA 0.863 55.638 54.840 -0.110 0.000 0.851 699 L CB -0.432 41.579 42.059 -0.081 0.000 0.959 699 L HN 0.556 nan 8.230 nan 0.000 0.451 700 R N -1.372 119.102 120.500 -0.043 0.000 2.064 700 R HA 0.010 4.349 4.340 -0.001 0.000 0.221 700 R C 2.203 178.460 176.300 -0.072 0.000 1.136 700 R CA 1.251 57.337 56.100 -0.024 0.000 0.980 700 R CB -0.292 29.991 30.300 -0.029 0.000 0.876 700 R HN 0.416 nan 8.270 nan 0.000 0.437 701 S N -0.606 114.996 115.700 -0.164 0.000 2.562 701 S HA 0.068 4.537 4.470 -0.001 0.000 0.221 701 S C 1.529 176.094 174.600 -0.059 0.000 0.975 701 S CA 0.652 58.784 58.200 -0.113 0.000 0.918 701 S CB 0.512 63.617 63.200 -0.159 0.000 0.772 701 S HN 0.561 nan 8.310 nan 0.000 0.531 702 G N 1.377 110.150 108.800 -0.044 0.000 2.270 702 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.268 702 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.268 702 G C 0.107 175.089 174.900 0.136 0.000 0.982 702 G CA 0.786 45.918 45.100 0.052 0.000 0.628 702 G HN 0.638 nan 8.290 nan 0.000 0.544 703 K N -0.268 120.150 120.400 0.030 0.000 2.126 703 K HA 0.576 4.896 4.320 -0.001 0.000 0.257 703 K C 0.070 176.667 176.600 -0.004 0.000 1.007 703 K CA -0.892 55.418 56.287 0.038 0.000 0.928 703 K CB 1.476 33.962 32.500 -0.023 0.000 1.013 703 K HN 0.170 nan 8.250 nan 0.000 0.473 704 L N 2.662 123.866 121.223 -0.030 0.000 2.369 704 L HA 0.005 4.345 4.340 -0.001 0.000 0.279 704 L C 0.580 177.307 176.870 -0.238 0.000 1.108 704 L CA 0.241 54.941 54.840 -0.233 0.000 0.852 704 L CB 0.934 42.852 42.059 -0.236 0.000 1.169 704 L HN 0.518 nan 8.230 nan 0.000 0.452 705 V N 4.299 124.033 119.914 -0.299 0.000 2.283 705 V HA 0.012 4.131 4.120 -0.001 0.000 0.239 705 V C 0.704 176.519 176.094 -0.466 0.000 1.035 705 V CA 0.803 62.882 62.300 -0.369 0.000 1.018 705 V CB -0.588 31.008 31.823 -0.379 0.000 0.658 705 V HN 0.730 nan 8.190 nan 0.000 0.459 706 H N -1.520 117.511 119.070 -0.064 0.000 2.569 706 H HA 0.725 5.280 4.556 -0.001 0.000 0.357 706 H C 0.260 175.521 175.328 -0.111 0.000 1.153 706 H CA 0.064 56.090 56.048 -0.036 0.000 1.193 706 H CB 2.136 31.930 29.762 0.053 0.000 1.602 706 H HN 0.213 nan 8.280 nan 0.000 0.523 707 A N 1.747 124.596 122.820 0.047 0.000 2.548 707 A HA 0.106 4.426 4.320 -0.001 0.000 0.236 707 A C 0.758 178.362 177.584 0.033 0.000 1.246 707 A CA -0.129 51.892 52.037 -0.027 0.000 0.993 707 A CB 0.011 18.962 19.000 -0.082 0.000 1.209 707 A HN 0.712 nan 8.150 nan 0.000 0.570 708 N N -0.407 118.326 118.700 0.055 0.000 2.177 708 N HA 0.293 5.032 4.740 -0.001 0.000 0.218 708 N C 0.987 176.503 175.510 0.010 0.000 1.182 708 N CA -0.051 53.016 53.050 0.029 0.000 0.882 708 N CB 0.346 38.835 38.487 0.004 0.000 1.052 708 N HN 0.355 nan 8.380 nan 0.000 0.519 709 I N 0.177 120.772 120.570 0.040 0.000 2.194 709 I HA -0.227 3.942 4.170 -0.001 0.000 0.246 709 I C 0.611 176.664 176.117 -0.105 0.000 1.093 709 I CA 1.344 62.621 61.300 -0.037 0.000 1.355 709 I CB 0.159 38.164 38.000 0.008 0.000 1.046 709 I HN 0.179 nan 8.210 nan 0.000 0.413 710 L N 0.780 121.942 121.223 -0.102 0.000 3.110 710 L HA 0.119 4.459 4.340 -0.001 0.000 0.266 710 L C 1.824 178.615 176.870 -0.131 0.000 1.257 710 L CA 0.241 54.937 54.840 -0.241 0.000 1.038 710 L CB -0.309 41.388 42.059 -0.604 0.000 1.395 710 L HN 0.148 nan 8.230 nan 0.000 0.566 711 K N -0.247 120.114 120.400 -0.065 0.000 2.107 711 K HA -0.249 4.071 4.320 -0.001 0.000 0.211 711 K C 0.928 177.495 176.600 -0.056 0.000 1.049 711 K CA 2.147 58.410 56.287 -0.039 0.000 0.927 711 K CB -0.491 31.989 32.500 -0.033 0.000 0.714 711 K HN 0.460 nan 8.250 nan 0.000 0.452 712 D N 1.161 121.510 120.400 -0.084 0.000 2.392 712 D HA -0.025 4.614 4.640 -0.001 0.000 0.228 712 D C 0.372 176.624 176.300 -0.081 0.000 1.003 712 D CA 0.501 54.452 54.000 -0.082 0.000 0.917 712 D CB -0.051 40.687 40.800 -0.104 0.000 0.890 712 D HN 0.393 nan 8.370 nan 0.000 0.532 713 A N 0.909 123.671 122.820 -0.097 0.000 2.401 713 A HA 0.163 4.483 4.320 -0.001 0.000 0.259 713 A C 0.628 178.168 177.584 -0.073 0.000 1.103 713 A CA -0.444 51.534 52.037 -0.099 0.000 0.789 713 A CB 0.678 19.587 19.000 -0.152 0.000 1.035 713 A HN -0.095 nan 8.150 nan 0.000 0.491 714 D N 0.086 120.440 120.400 -0.078 0.000 2.301 714 D HA 0.065 4.705 4.640 -0.001 0.000 0.206 714 D C 0.016 176.223 176.300 -0.155 0.000 0.979 714 D CA 1.087 55.043 54.000 -0.073 0.000 0.874 714 D CB 0.366 41.146 40.800 -0.034 0.000 0.968 714 D HN 0.569 nan 8.370 nan 0.000 0.510 715 Q N 0.414 120.030 119.800 -0.306 0.000 2.315 715 Q HA 0.348 4.687 4.340 -0.001 0.000 0.273 715 Q C -0.902 174.719 176.000 -0.631 0.000 1.053 715 Q CA -0.503 54.939 55.803 -0.602 0.000 0.817 715 Q CB 3.211 31.210 28.738 -1.231 0.000 1.326 715 Q HN -0.009 nan 8.270 nan 0.000 0.423 716 I N 1.741 122.064 120.570 -0.412 0.000 2.371 716 I HA 0.187 4.356 4.170 -0.001 0.000 0.282 716 I C 0.521 176.592 176.117 -0.077 0.000 1.031 716 I CA -0.219 60.996 61.300 -0.143 0.000 1.180 716 I CB 0.055 38.173 38.000 0.196 0.000 1.336 716 I HN 0.744 nan 8.210 nan 0.000 0.467 717 W N 3.440 124.806 121.300 0.110 0.000 2.413 717 W HA -0.019 4.640 4.660 -0.001 0.000 0.315 717 W C 1.216 177.793 176.519 0.096 0.000 1.186 717 W CA 0.306 57.700 57.345 0.082 0.000 1.326 717 W CB 0.152 29.626 29.460 0.023 0.000 1.153 717 W HN 0.452 nan 8.180 nan 0.000 0.489 718 S N -0.322 115.577 115.700 0.332 0.000 2.547 718 S HA 0.557 5.026 4.470 -0.001 0.000 0.281 718 S C -1.462 173.272 174.600 0.223 0.000 1.118 718 S CA -0.780 57.564 58.200 0.240 0.000 0.947 718 S CB 1.522 64.828 63.200 0.176 0.000 1.053 718 S HN -0.150 nan 8.310 nan 0.000 0.482 719 V N 4.832 124.894 119.914 0.245 0.000 2.709 719 V HA 0.785 4.904 4.120 -0.001 0.000 0.308 719 V C -1.381 174.838 176.094 0.208 0.000 1.062 719 V CA -0.494 61.978 62.300 0.286 0.000 0.901 719 V CB 2.029 34.107 31.823 0.424 0.000 1.003 719 V HN 0.951 nan 8.190 nan 0.000 0.425 720 N N 4.738 123.490 118.700 0.087 0.000 2.367 720 N HA 0.589 5.328 4.740 -0.001 0.000 0.278 720 N C -1.600 173.849 175.510 -0.102 0.000 1.117 720 N CA -0.246 52.620 53.050 -0.306 0.000 0.867 720 N CB 2.356 40.723 38.487 -0.199 0.000 1.649 720 N HN 0.664 nan 8.380 nan 0.000 0.479 721 F N 0.304 119.991 119.950 -0.439 0.000 2.631 721 F HA 0.718 5.244 4.527 -0.001 0.000 0.308 721 F C -1.212 174.667 175.800 0.132 0.000 1.097 721 F CA -0.765 57.266 58.000 0.051 0.000 0.952 721 F CB 1.704 40.831 39.000 0.212 0.000 1.307 721 F HN 0.126 nan 8.300 nan 0.000 0.450 722 K N 2.741 123.458 120.400 0.529 0.000 2.690 722 K HA 0.509 4.828 4.320 -0.001 0.000 0.264 722 K C 0.122 176.919 176.600 0.329 0.000 1.040 722 K CA 0.367 56.825 56.287 0.285 0.000 0.946 722 K CB 1.208 33.741 32.500 0.055 0.000 1.268 722 K HN 1.430 nan 8.250 nan 0.000 0.473 723 G N 4.122 113.086 108.800 0.274 0.000 2.531 723 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.274 723 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.274 723 G C 0.190 175.332 174.900 0.404 0.000 1.159 723 G CA 0.616 45.851 45.100 0.224 0.000 0.969 723 G HN 0.586 nan 8.290 nan 0.000 0.554 724 K N 0.230 120.838 120.400 0.347 0.000 2.505 724 K HA 0.448 4.767 4.320 -0.001 0.000 0.192 724 K C 0.627 177.493 176.600 0.443 0.000 1.025 724 K CA 1.203 57.739 56.287 0.414 0.000 1.086 724 K CB 0.011 32.661 32.500 0.251 0.000 0.840 724 K HN 0.505 nan 8.250 nan 0.000 0.514 725 T N 1.348 116.182 114.554 0.466 0.000 2.812 725 T HA 0.474 4.823 4.350 -0.001 0.000 0.282 725 T C -1.476 173.500 174.700 0.460 0.000 0.990 725 T CA -0.805 61.538 62.100 0.404 0.000 0.960 725 T CB 1.321 70.397 68.868 0.347 0.000 0.948 725 T HN 0.149 nan 8.240 nan 0.000 0.438 726 L N 5.360 126.804 121.223 0.368 0.000 2.341 726 L HA 0.859 5.199 4.340 -0.001 0.000 0.278 726 L C -0.753 176.174 176.870 0.095 0.000 1.005 726 L CA -0.800 54.260 54.840 0.367 0.000 0.818 726 L CB 1.503 43.869 42.059 0.511 0.000 1.259 726 L HN 0.537 nan 8.230 nan 0.000 0.418 727 V N 2.118 122.017 119.914 -0.025 0.000 2.823 727 V HA 1.065 5.184 4.120 -0.001 0.000 0.312 727 V C -0.591 175.496 176.094 -0.011 0.000 1.072 727 V CA -0.194 62.017 62.300 -0.148 0.000 0.937 727 V CB 1.281 32.837 31.823 -0.445 0.000 1.013 727 V HN 1.238 nan 8.190 nan 0.000 0.430 728 A N 2.876 125.671 122.820 -0.042 0.000 2.459 728 A HA 0.967 5.286 4.320 -0.001 0.000 0.296 728 A C -0.235 177.336 177.584 -0.022 0.000 1.039 728 A CA -0.232 51.816 52.037 0.018 0.000 0.698 728 A CB 1.616 20.609 19.000 -0.012 0.000 1.261 728 A HN 2.355 nan 8.150 nan 0.000 0.405 729 A N 1.743 124.595 122.820 0.053 0.000 2.260 729 A HA 0.696 5.015 4.320 -0.001 0.000 0.308 729 A C 0.268 177.920 177.584 0.112 0.000 1.254 729 A CA 0.124 52.221 52.037 0.099 0.000 0.874 729 A CB -0.032 19.064 19.000 0.160 0.000 1.153 729 A HN 2.247 nan 8.150 nan 0.000 0.527 730 V N 0.021 119.979 119.914 0.074 0.000 3.156 730 V HA 0.809 4.928 4.120 -0.001 0.000 0.311 730 V C -0.535 175.563 176.094 0.006 0.000 1.208 730 V CA -0.817 61.442 62.300 -0.069 0.000 1.063 730 V CB 1.786 33.548 31.823 -0.101 0.000 1.098 730 V HN 0.876 nan 8.190 nan 0.000 0.452 731 E N 0.569 120.697 120.200 -0.120 0.000 2.234 731 E HA 0.523 4.872 4.350 -0.001 0.000 0.266 731 E C -1.468 175.175 176.600 0.071 0.000 0.877 731 E CA -0.791 55.632 56.400 0.039 0.000 0.758 731 E CB 2.057 31.778 29.700 0.035 0.000 1.170 731 E HN 0.744 nan 8.360 nan 0.000 0.415 732 K N 3.777 124.304 120.400 0.211 0.000 2.640 732 K HA 0.175 4.494 4.320 -0.001 0.000 0.245 732 K C -1.528 175.193 176.600 0.203 0.000 0.962 732 K CA -0.641 55.765 56.287 0.198 0.000 0.896 732 K CB 1.147 33.787 32.500 0.234 0.000 1.147 732 K HN 0.572 nan 8.250 nan 0.000 0.445 733 D N 1.993 122.459 120.400 0.110 0.000 2.828 733 D HA -0.151 4.488 4.640 -0.001 0.000 0.241 733 D C 0.659 177.011 176.300 0.087 0.000 1.142 733 D CA 1.842 55.896 54.000 0.091 0.000 0.755 733 D CB -1.070 39.785 40.800 0.092 0.000 1.014 733 D HN 1.041 nan 8.370 nan 0.000 0.420 734 G N 0.310 109.157 108.800 0.079 0.000 2.283 734 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.280 734 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.280 734 G C 0.087 175.006 174.900 0.032 0.000 1.029 734 G CA 0.882 46.021 45.100 0.065 0.000 0.840 734 G HN 0.595 nan 8.290 nan 0.000 0.505 735 Q N -0.856 118.953 119.800 0.015 0.000 2.353 735 Q HA 0.535 4.875 4.340 -0.001 0.000 0.275 735 Q C -0.162 175.678 176.000 -0.266 0.000 1.029 735 Q CA -0.287 55.424 55.803 -0.154 0.000 0.848 735 Q CB 2.021 30.596 28.738 -0.272 0.000 1.390 735 Q HN 0.622 nan 8.270 nan 0.000 0.401 736 S N 0.754 116.263 115.700 -0.319 0.000 2.616 736 S HA 0.817 5.287 4.470 -0.001 0.000 0.277 736 S C -0.688 173.579 174.600 -0.555 0.000 1.234 736 S CA -0.255 57.824 58.200 -0.202 0.000 1.028 736 S CB 0.628 63.840 63.200 0.021 0.000 0.988 736 S HN 0.392 nan 8.310 nan 0.000 0.522 737 F N -0.239 119.747 119.950 0.060 0.000 2.645 737 F HA 0.568 5.095 4.527 -0.001 0.000 0.310 737 F C -0.828 174.952 175.800 -0.033 0.000 1.102 737 F CA -1.128 56.876 58.000 0.007 0.000 0.952 737 F CB 1.783 40.763 39.000 -0.034 0.000 1.326 737 F HN 0.597 nan 8.300 nan 0.000 0.456 738 L N 2.431 123.725 121.223 0.118 0.000 2.296 738 L HA 0.571 4.910 4.340 -0.001 0.000 0.286 738 L C -0.734 176.075 176.870 -0.102 0.000 1.023 738 L CA -0.185 54.590 54.840 -0.108 0.000 0.812 738 L CB 1.005 42.777 42.059 -0.480 0.000 1.223 738 L HN 0.426 nan 8.230 nan 0.000 0.421 739 E N 6.341 126.463 120.200 -0.130 0.000 2.166 739 E HA 0.464 4.813 4.350 -0.001 0.000 0.275 739 E C -0.998 175.504 176.600 -0.162 0.000 0.941 739 E CA -0.278 56.028 56.400 -0.158 0.000 0.784 739 E CB 2.357 31.932 29.700 -0.209 0.000 1.115 739 E HN 0.545 nan 8.360 nan 0.000 0.399 740 I N 3.807 124.288 120.570 -0.148 0.000 2.418 740 I HA 0.332 4.502 4.170 -0.001 0.000 0.287 740 I C -0.488 175.562 176.117 -0.112 0.000 1.008 740 I CA -0.658 60.565 61.300 -0.127 0.000 1.104 740 I CB 1.287 39.219 38.000 -0.113 0.000 1.264 740 I HN 0.213 nan 8.210 nan 0.000 0.438 741 L N 5.386 126.569 121.223 -0.066 0.000 2.341 741 L HA 0.490 4.830 4.340 -0.001 0.000 0.278 741 L C -0.570 176.248 176.870 -0.088 0.000 1.005 741 L CA -0.538 54.229 54.840 -0.122 0.000 0.818 741 L CB 1.892 43.909 42.059 -0.069 0.000 1.259 741 L HN 0.505 nan 8.230 nan 0.000 0.418 742 D N 2.104 122.361 120.400 -0.238 0.000 2.256 742 D HA 0.281 4.921 4.640 -0.001 0.000 0.240 742 D C -0.355 175.767 176.300 -0.295 0.000 1.062 742 D CA -0.204 53.718 54.000 -0.131 0.000 0.832 742 D CB 1.410 42.160 40.800 -0.085 0.000 1.135 742 D HN 0.272 nan 8.370 nan 0.000 0.484 743 F N 1.050 120.952 119.950 -0.079 0.000 2.683 743 F HA 0.089 4.615 4.527 -0.001 0.000 0.306 743 F C 1.446 177.192 175.800 -0.090 0.000 1.102 743 F CA -0.491 57.401 58.000 -0.181 0.000 1.244 743 F CB 0.304 38.865 39.000 -0.732 0.000 1.029 743 F HN 0.140 nan 8.300 nan 0.000 0.545 744 S N 0.000 115.795 115.700 0.158 0.000 2.498 744 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 744 S CA 0.000 58.274 58.200 0.124 0.000 1.107 744 S CB 0.000 63.261 63.200 0.102 0.000 0.593 744 S HN 0.000 nan 8.310 nan 0.000 0.517