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 3n61_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIVLP XXXXXXXXXX DATA SEQUENCE XTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRNY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVW 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 299 R HA 0.000 nan 4.340 nan 0.000 0.208 299 R C 0.000 176.173 176.300 -0.212 0.000 0.893 299 R CA 0.000 55.963 56.100 -0.228 0.000 0.921 299 R CB 0.000 29.991 30.300 -0.516 0.000 0.687 300 F N 2.585 122.606 119.950 0.119 0.000 2.420 300 F HA 0.572 5.329 4.527 0.383 0.000 0.342 300 F C -0.134 175.726 175.800 0.101 0.000 1.113 300 F CA -0.937 57.147 58.000 0.139 0.000 1.059 300 F CB 1.475 40.514 39.000 0.064 0.000 1.128 300 F HN -0.172 nan 8.300 nan 0.000 0.475 301 L N 3.417 124.805 121.223 0.276 0.000 2.362 301 L HA 0.519 5.089 4.340 0.383 0.000 0.271 301 L C -0.539 176.403 176.870 0.119 0.000 1.002 301 L CA -0.956 53.945 54.840 0.101 0.000 0.818 301 L CB 2.309 44.315 42.059 -0.088 0.000 1.298 301 L HN 0.582 nan 8.230 nan 0.000 0.420 302 K N 1.888 122.328 120.400 0.068 0.000 2.138 302 K HA 0.645 5.195 4.320 0.383 0.000 0.263 302 K C -1.022 175.591 176.600 0.021 0.000 0.965 302 K CA -0.657 55.652 56.287 0.037 0.000 0.868 302 K CB 2.297 34.802 32.500 0.008 0.000 1.083 302 K HN 0.395 nan 8.250 nan 0.000 0.443 303 V N -0.343 119.558 119.914 -0.023 0.000 2.604 303 V HA 0.550 4.900 4.120 0.383 0.000 0.305 303 V C -0.687 175.343 176.094 -0.106 0.000 1.043 303 V CA -0.991 61.291 62.300 -0.030 0.000 0.888 303 V CB 1.509 33.325 31.823 -0.011 0.000 0.995 303 V HN 0.725 nan 8.190 nan 0.000 0.429 304 K N 3.300 123.640 120.400 -0.101 0.000 2.207 304 K HA 0.435 4.985 4.320 0.383 0.000 0.255 304 K C -0.662 175.821 176.600 -0.195 0.000 0.941 304 K CA -0.660 55.472 56.287 -0.259 0.000 0.825 304 K CB 1.662 33.844 32.500 -0.530 0.000 1.119 304 K HN 0.893 nan 8.250 nan 0.000 0.430 305 N N 3.866 122.454 118.700 -0.186 0.000 2.419 305 N HA 0.083 5.053 4.740 0.383 0.000 0.264 305 N C -0.339 175.108 175.510 -0.106 0.000 1.031 305 N CA -0.263 52.771 53.050 -0.027 0.000 0.951 305 N CB 0.511 39.011 38.487 0.021 0.000 1.101 305 N HN 0.693 nan 8.380 nan 0.000 0.488 306 W N 1.967 123.349 121.300 0.136 0.000 3.139 306 W HA 0.155 5.045 4.660 0.383 0.000 0.260 306 W C 2.037 178.591 176.519 0.058 0.000 1.312 306 W CA -0.211 57.203 57.345 0.116 0.000 1.606 306 W CB 0.406 29.970 29.460 0.173 0.000 1.118 306 W HN 0.679 nan 8.180 nan 0.000 0.675 307 E N -0.078 120.231 120.200 0.181 0.000 2.127 307 E HA -0.112 4.468 4.350 0.383 0.000 0.191 307 E C 1.819 178.425 176.600 0.010 0.000 0.964 307 E CA 1.737 58.139 56.400 0.004 0.000 0.832 307 E CB 0.025 29.676 29.700 -0.083 0.000 0.790 307 E HN 0.168 nan 8.360 nan 0.000 0.465 308 T N -2.683 111.879 114.554 0.013 0.000 3.054 308 T HA 0.152 4.732 4.350 0.383 0.000 0.255 308 T C 0.340 175.009 174.700 -0.053 0.000 1.035 308 T CA 0.369 62.460 62.100 -0.015 0.000 0.941 308 T CB 0.352 69.216 68.868 -0.006 0.000 1.026 308 T HN 0.046 nan 8.240 nan 0.000 0.533 309 D N 0.100 120.443 120.400 -0.095 0.000 3.006 309 D HA -0.136 4.734 4.640 0.383 0.000 0.208 309 D C 0.049 176.249 176.300 -0.166 0.000 1.116 309 D CA 0.664 54.565 54.000 -0.164 0.000 0.998 309 D CB -1.849 38.881 40.800 -0.117 0.000 1.124 309 D HN 0.461 nan 8.370 nan 0.000 0.413 310 V N 0.965 120.804 119.914 -0.125 0.000 2.599 310 V HA 0.097 4.447 4.120 0.383 0.000 0.300 310 V C 0.893 176.890 176.094 -0.162 0.000 1.034 310 V CA 0.165 62.393 62.300 -0.121 0.000 1.115 310 V CB 1.416 33.185 31.823 -0.090 0.000 0.934 310 V HN -0.029 nan 8.190 nan 0.000 0.485 311 V N 7.202 127.023 119.914 -0.156 0.000 2.448 311 V HA 0.513 4.863 4.120 0.383 0.000 0.295 311 V C -0.099 175.897 176.094 -0.162 0.000 1.025 311 V CA -0.493 61.708 62.300 -0.165 0.000 0.859 311 V CB 1.613 33.351 31.823 -0.142 0.000 0.988 311 V HN 0.623 nan 8.190 nan 0.000 0.431 312 L N 3.365 124.455 121.223 -0.222 0.000 2.333 312 L HA 0.681 5.251 4.340 0.383 0.000 0.269 312 L C 0.009 176.807 176.870 -0.120 0.000 1.010 312 L CA -0.461 54.215 54.840 -0.272 0.000 0.818 312 L CB 2.459 44.089 42.059 -0.714 0.000 1.306 312 L HN 0.531 nan 8.230 nan 0.000 0.430 313 T N 0.014 114.596 114.554 0.047 0.000 2.758 313 T HA 0.178 4.758 4.350 0.383 0.000 0.285 313 T C -0.694 174.221 174.700 0.358 0.000 0.981 313 T CA -0.450 61.746 62.100 0.160 0.000 0.965 313 T CB 1.104 70.023 68.868 0.084 0.000 0.927 313 T HN 0.422 nan 8.240 nan 0.000 0.448 314 D N 2.613 123.257 120.400 0.407 0.000 2.313 314 D HA 0.157 5.027 4.640 0.383 0.000 0.239 314 D C 0.987 177.489 176.300 0.338 0.000 1.142 314 D CA -0.234 54.006 54.000 0.400 0.000 0.847 314 D CB 1.434 42.487 40.800 0.422 0.000 1.082 314 D HN 0.629 nan 8.370 nan 0.000 0.480 315 T N 1.088 115.749 114.554 0.178 0.000 2.990 315 T HA -0.035 4.545 4.350 0.383 0.000 0.250 315 T C 1.805 176.440 174.700 -0.108 0.000 1.041 315 T CA -0.249 61.906 62.100 0.092 0.000 1.010 315 T CB 0.103 69.007 68.868 0.061 0.000 1.003 315 T HN 0.253 nan 8.240 nan 0.000 0.499 316 L N 2.994 124.178 121.223 -0.066 0.000 2.201 316 L HA -0.027 4.543 4.340 0.383 0.000 0.212 316 L C 2.537 179.261 176.870 -0.244 0.000 1.105 316 L CA 1.745 56.529 54.840 -0.094 0.000 0.775 316 L CB -0.897 41.167 42.059 0.007 0.000 0.913 316 L HN 0.584 nan 8.230 nan 0.000 0.440 317 H N -1.074 117.684 119.070 -0.519 0.000 2.518 317 H HA -0.129 4.657 4.556 0.383 0.000 0.289 317 H C 1.811 176.870 175.328 -0.449 0.000 1.051 317 H CA 1.351 56.778 56.048 -1.036 0.000 1.280 317 H CB -0.613 28.461 29.762 -1.146 0.000 1.380 317 H HN 0.445 nan 8.280 nan 0.000 0.566 318 L N 0.516 121.246 121.223 -0.821 0.000 2.376 318 L HA -0.052 4.518 4.340 0.383 0.000 0.219 318 L C 1.820 178.548 176.870 -0.235 0.000 1.133 318 L CA 0.944 55.488 54.840 -0.494 0.000 0.816 318 L CB -0.139 41.664 42.059 -0.426 0.000 0.933 318 L HN 0.172 nan 8.230 nan 0.000 0.449 319 K N -0.065 120.223 120.400 -0.186 0.000 2.417 319 K HA 0.073 4.623 4.320 0.383 0.000 0.196 319 K C 0.899 177.489 176.600 -0.017 0.000 1.023 319 K CA -0.133 56.110 56.287 -0.074 0.000 1.122 319 K CB 0.298 32.773 32.500 -0.042 0.000 0.850 319 K HN 0.208 nan 8.250 nan 0.000 0.521 320 S N -0.428 115.250 115.700 -0.037 0.000 2.585 320 S HA 0.075 4.775 4.470 0.383 0.000 0.273 320 S C 0.824 175.453 174.600 0.048 0.000 1.339 320 S CA -0.120 58.119 58.200 0.065 0.000 1.028 320 S CB 1.650 64.901 63.200 0.084 0.000 0.906 320 S HN 0.095 nan 8.310 nan 0.000 0.528 321 T N 2.356 116.953 114.554 0.072 0.000 3.361 321 T HA 0.326 4.906 4.350 0.383 0.000 0.241 321 T C 0.580 175.308 174.700 0.048 0.000 0.998 321 T CA -0.137 61.992 62.100 0.049 0.000 1.215 321 T CB -0.700 68.196 68.868 0.046 0.000 1.196 321 T HN 0.604 nan 8.240 nan 0.000 0.376 322 L N 2.038 123.293 121.223 0.053 0.000 2.461 322 L HA 0.356 4.926 4.340 0.383 0.000 0.259 322 L C 0.408 177.309 176.870 0.050 0.000 1.248 322 L CA -0.187 54.680 54.840 0.045 0.000 0.823 322 L CB 0.027 42.110 42.059 0.040 0.000 1.111 322 L HN 0.326 nan 8.230 nan 0.000 0.516 323 E N -0.900 119.325 120.200 0.041 0.000 2.313 323 E HA 0.113 4.693 4.350 0.383 0.000 0.272 323 E C 0.555 177.181 176.600 0.044 0.000 1.038 323 E CA 0.096 56.521 56.400 0.041 0.000 0.863 323 E CB 1.312 31.031 29.700 0.033 0.000 1.060 323 E HN 0.693 nan 8.360 nan 0.000 0.402 324 T N -0.824 113.759 114.554 0.048 0.000 3.054 324 T HA 0.182 4.762 4.350 0.383 0.000 0.259 324 T C 1.477 176.198 174.700 0.034 0.000 1.092 324 T CA 0.382 62.509 62.100 0.046 0.000 1.121 324 T CB 0.121 69.023 68.868 0.057 0.000 0.912 324 T HN 0.750 nan 8.240 nan 0.000 0.489 325 G N 0.545 109.365 108.800 0.033 0.000 2.268 325 G HA2 -0.268 3.922 3.960 0.383 0.000 0.240 325 G HA3 -0.268 3.922 3.960 0.383 0.000 0.240 325 G C 0.338 175.258 174.900 0.033 0.000 1.010 325 G CA -0.136 44.982 45.100 0.031 0.000 0.618 325 G HN 0.769 nan 8.290 nan 0.000 0.516 326 C N 2.008 121.329 119.300 0.035 0.000 2.534 326 C HA 0.773 5.463 4.460 0.383 0.000 0.385 326 C C 1.170 176.181 174.990 0.036 0.000 1.264 326 C CA 0.512 59.550 59.018 0.034 0.000 2.342 326 C CB 0.694 28.452 27.740 0.030 0.000 2.564 326 C HN 0.950 nan 8.230 nan 0.000 0.603 327 T N -1.035 113.544 114.554 0.042 0.000 2.883 327 T HA 0.390 4.970 4.350 0.383 0.000 0.284 327 T C 0.499 175.212 174.700 0.021 0.000 1.041 327 T CA -0.490 61.639 62.100 0.048 0.000 1.007 327 T CB 0.989 69.912 68.868 0.092 0.000 1.220 327 T HN 0.566 nan 8.240 nan 0.000 0.552 328 E N -0.447 119.746 120.200 -0.012 0.000 2.265 328 E HA -0.089 4.491 4.350 0.383 0.000 0.196 328 E C 1.729 178.211 176.600 -0.197 0.000 0.996 328 E CA 1.202 57.531 56.400 -0.118 0.000 0.832 328 E CB -0.163 29.427 29.700 -0.184 0.000 0.756 328 E HN 0.582 nan 8.360 nan 0.000 0.491 329 H N -1.162 117.907 119.070 -0.001 0.000 2.520 329 H HA 0.290 5.075 4.556 0.383 0.000 0.279 329 H C 0.433 175.760 175.328 -0.002 0.000 0.990 329 H CA 0.529 56.576 56.048 -0.002 0.000 1.288 329 H CB 0.922 30.684 29.762 -0.000 0.000 1.446 329 H HN 0.127 nan 8.280 nan 0.000 0.538 330 I N 0.124 120.754 120.570 0.101 0.000 2.649 330 I HA 0.176 4.576 4.170 0.383 0.000 0.289 330 I C -1.223 174.916 176.117 0.037 0.000 1.222 330 I CA -0.708 60.629 61.300 0.061 0.000 1.046 330 I CB 1.793 39.831 38.000 0.063 0.000 1.272 330 I HN -0.039 nan 8.210 nan 0.000 0.425 331 C N 7.887 127.199 119.300 0.021 0.000 2.325 331 C HA 0.502 5.192 4.460 0.383 0.000 0.347 331 C C 0.961 175.964 174.990 0.022 0.000 1.263 331 C CA -0.438 58.590 59.018 0.016 0.000 1.806 331 C CB 0.131 27.871 27.740 0.000 0.000 2.405 331 C HN 0.897 nan 8.230 nan 0.000 0.537 332 M N 5.046 124.663 119.600 0.029 0.000 2.560 332 M HA 0.180 4.890 4.480 0.383 0.000 0.297 332 M C 1.882 178.209 176.300 0.044 0.000 1.201 332 M CA 0.099 55.420 55.300 0.035 0.000 0.973 332 M CB 0.017 32.638 32.600 0.034 0.000 1.401 332 M HN 1.024 nan 8.290 nan 0.000 0.497 333 G N 1.160 109.986 108.800 0.043 0.000 2.485 333 G HA2 -0.237 3.953 3.960 0.383 0.000 0.221 333 G HA3 -0.237 3.953 3.960 0.383 0.000 0.221 333 G C 1.432 176.391 174.900 0.100 0.000 1.115 333 G CA 1.571 46.708 45.100 0.063 0.000 0.751 333 G HN 0.588 nan 8.290 nan 0.000 0.567 334 S N -0.540 115.213 115.700 0.088 0.000 2.557 334 S HA 0.375 5.075 4.470 0.383 0.000 0.223 334 S C 0.551 175.220 174.600 0.115 0.000 0.969 334 S CA -0.640 57.630 58.200 0.116 0.000 0.927 334 S CB 0.203 63.452 63.200 0.082 0.000 0.806 334 S HN -0.001 nan 8.310 nan 0.000 0.489 335 I N 2.765 123.390 120.570 0.092 0.000 2.416 335 I HA 0.188 4.588 4.170 0.383 0.000 0.288 335 I C 1.622 177.797 176.117 0.097 0.000 1.051 335 I CA -0.465 60.881 61.300 0.078 0.000 1.375 335 I CB 0.704 38.733 38.000 0.050 0.000 1.407 335 I HN 0.004 nan 8.210 nan 0.000 0.516 336 V N 7.260 127.239 119.914 0.108 0.000 2.307 336 V HA -0.144 4.206 4.120 0.383 0.000 0.245 336 V C 1.090 177.184 176.094 -0.000 0.000 1.045 336 V CA 1.441 63.815 62.300 0.123 0.000 1.024 336 V CB -0.358 31.543 31.823 0.129 0.000 0.651 336 V HN 0.542 nan 8.190 nan 0.000 0.449 337 L N 2.593 123.812 121.223 -0.007 0.000 2.387 337 L HA 0.414 4.984 4.340 0.383 0.000 0.259 337 L C -2.000 174.876 176.870 0.011 0.000 1.050 337 L CA -1.197 53.633 54.840 -0.016 0.000 0.922 337 L CB 0.614 42.667 42.059 -0.010 0.000 1.280 337 L HN 0.239 nan 8.230 nan 0.000 0.449 351 K N 0.432 120.859 120.400 0.044 0.000 2.063 351 K HA -0.154 4.396 4.320 0.383 0.000 0.208 351 K C 1.306 177.951 176.600 0.074 0.000 1.048 351 K CA 2.251 58.573 56.287 0.058 0.000 0.928 351 K CB -0.369 32.152 32.500 0.035 0.000 0.713 351 K HN 0.502 nan 8.250 nan 0.000 0.442 352 D N 0.816 121.250 120.400 0.057 0.000 2.104 352 D HA -0.172 4.698 4.640 0.383 0.000 0.194 352 D C 1.872 178.219 176.300 0.078 0.000 0.994 352 D CA 1.383 55.420 54.000 0.062 0.000 0.830 352 D CB -0.153 40.672 40.800 0.041 0.000 0.959 352 D HN 0.265 nan 8.370 nan 0.000 0.452 353 Q N -0.385 119.454 119.800 0.064 0.000 2.331 353 Q HA 0.118 4.688 4.340 0.383 0.000 0.203 353 Q C 1.803 177.846 176.000 0.072 0.000 0.944 353 Q CA 0.167 56.005 55.803 0.058 0.000 0.892 353 Q CB -0.079 28.684 28.738 0.040 0.000 0.983 353 Q HN 0.176 nan 8.270 nan 0.000 0.482 354 L N -0.273 121.008 121.223 0.097 0.000 2.056 354 L HA -0.029 4.541 4.340 0.383 0.000 0.207 354 L C 1.849 178.807 176.870 0.146 0.000 1.078 354 L CA 1.522 56.437 54.840 0.124 0.000 0.749 354 L CB -0.554 41.593 42.059 0.147 0.000 0.901 354 L HN 0.199 nan 8.230 nan 0.000 0.433 355 F N 1.153 121.110 119.950 0.013 0.000 2.126 355 F HA -0.080 4.677 4.527 0.383 0.000 0.299 355 F C -0.562 175.236 175.800 -0.003 0.000 1.096 355 F CA 1.257 59.244 58.000 -0.022 0.000 1.255 355 F CB -1.667 37.310 39.000 -0.039 0.000 0.997 355 F HN 0.170 nan 8.300 nan 0.000 0.479 356 P HA -0.162 nan 4.420 nan 0.000 0.216 356 P C 2.098 179.306 177.300 -0.155 0.000 1.150 356 P CA 1.596 64.587 63.100 -0.182 0.000 0.837 356 P CB -0.111 31.567 31.700 -0.038 0.000 0.786 357 L N -1.078 120.107 121.223 -0.063 0.000 2.027 357 L HA -0.158 4.412 4.340 0.383 0.000 0.206 357 L C 2.516 179.402 176.870 0.027 0.000 1.074 357 L CA 1.595 56.439 54.840 0.007 0.000 0.745 357 L CB -1.239 40.847 42.059 0.045 0.000 0.898 357 L HN -0.052 nan 8.230 nan 0.000 0.433 358 A N 0.324 123.123 122.820 -0.036 0.000 1.865 358 A HA -0.288 4.262 4.320 0.383 0.000 0.217 358 A C 2.373 179.897 177.584 -0.101 0.000 1.191 358 A CA 2.203 54.218 52.037 -0.037 0.000 0.623 358 A CB -0.542 18.278 19.000 -0.300 0.000 0.826 358 A HN 0.345 nan 8.150 nan 0.000 0.444 359 K N -0.284 119.861 120.400 -0.425 0.000 2.009 359 K HA -0.243 4.307 4.320 0.383 0.000 0.210 359 K C 2.122 178.676 176.600 -0.078 0.000 1.049 359 K CA 1.868 57.941 56.287 -0.356 0.000 0.929 359 K CB -0.256 31.884 32.500 -0.601 0.000 0.714 359 K HN 0.596 nan 8.250 nan 0.000 0.440 360 E N -0.436 119.741 120.200 -0.037 0.000 2.097 360 E HA -0.239 4.341 4.350 0.383 0.000 0.196 360 E C 1.901 178.581 176.600 0.132 0.000 1.000 360 E CA 1.552 57.986 56.400 0.056 0.000 0.804 360 E CB -0.204 29.531 29.700 0.058 0.000 0.740 360 E HN 0.415 nan 8.360 nan 0.000 0.454 361 F N 1.075 121.049 119.950 0.040 0.000 2.113 361 F HA -0.106 4.652 4.527 0.385 0.000 0.297 361 F C 2.005 177.875 175.800 0.116 0.000 1.103 361 F CA 1.189 59.245 58.000 0.093 0.000 1.248 361 F CB -0.274 38.794 39.000 0.113 0.000 0.999 361 F HN -0.033 nan 8.300 nan 0.000 0.475 362 L N 0.021 121.243 121.223 -0.001 0.000 2.083 362 L HA -0.205 4.365 4.340 0.383 0.000 0.209 362 L C 2.116 179.016 176.870 0.050 0.000 1.083 362 L CA 1.301 56.146 54.840 0.008 0.000 0.752 362 L CB -0.875 41.296 42.059 0.185 0.000 0.899 362 L HN 0.087 nan 8.230 nan 0.000 0.433 363 D N 0.023 120.481 120.400 0.096 0.000 2.104 363 D HA -0.232 4.638 4.640 0.383 0.000 0.194 363 D C 2.272 178.631 176.300 0.099 0.000 0.994 363 D CA 1.594 55.702 54.000 0.181 0.000 0.830 363 D CB -0.244 40.754 40.800 0.330 0.000 0.959 363 D HN 0.530 nan 8.370 nan 0.000 0.452 364 Q N -0.549 119.238 119.800 -0.021 0.000 2.119 364 Q HA -0.218 4.352 4.340 0.383 0.000 0.201 364 Q C 2.216 178.021 176.000 -0.324 0.000 0.972 364 Q CA 1.030 56.775 55.803 -0.096 0.000 0.847 364 Q CB -0.752 27.971 28.738 -0.025 0.000 0.903 364 Q HN 0.374 nan 8.270 nan 0.000 0.433 365 Y N 0.817 120.665 120.300 -0.753 0.000 2.097 365 Y HA -0.292 4.488 4.550 0.384 0.000 0.282 365 Y C 1.705 177.154 175.900 -0.753 0.000 1.152 365 Y CA 1.763 59.173 58.100 -1.151 0.000 1.136 365 Y CB -0.566 37.138 38.460 -1.259 0.000 0.975 365 Y HN 0.096 nan 8.280 nan 0.000 0.498 366 Y N -0.817 119.110 120.300 -0.623 0.000 2.274 366 Y HA -0.201 4.579 4.550 0.383 0.000 0.290 366 Y C 3.057 178.719 175.900 -0.396 0.000 1.145 366 Y CA 1.718 59.441 58.100 -0.627 0.000 1.203 366 Y CB -0.714 37.232 38.460 -0.856 0.000 0.984 366 Y HN 0.189 nan 8.280 nan 0.000 0.533 367 S N -0.601 115.040 115.700 -0.098 0.000 2.368 367 S HA -0.207 4.493 4.470 0.383 0.000 0.225 367 S C 2.388 176.891 174.600 -0.163 0.000 1.030 367 S CA 1.476 59.648 58.200 -0.046 0.000 0.999 367 S CB -0.623 62.538 63.200 -0.066 0.000 0.844 367 S HN 0.630 nan 8.310 nan 0.000 0.459 368 S N 2.068 117.607 115.700 -0.269 0.000 2.382 368 S HA -0.105 4.595 4.470 0.383 0.000 0.228 368 S C 1.631 176.082 174.600 -0.248 0.000 1.027 368 S CA 1.270 59.346 58.200 -0.206 0.000 0.991 368 S CB -0.990 62.119 63.200 -0.152 0.000 0.823 368 S HN 0.783 nan 8.310 nan 0.000 0.469 369 I N -2.123 118.179 120.570 -0.446 0.000 3.812 369 I HA 0.455 4.855 4.170 0.383 0.000 0.319 369 I C 0.209 176.205 176.117 -0.202 0.000 1.353 369 I CA -0.580 60.510 61.300 -0.350 0.000 1.170 369 I CB -0.706 36.978 38.000 -0.527 0.000 1.057 369 I HN -0.000 nan 8.210 nan 0.000 0.411 370 K N 1.823 122.139 120.400 -0.140 0.000 3.035 370 K HA -0.174 4.376 4.320 0.383 0.000 0.262 370 K C -0.024 176.572 176.600 -0.008 0.000 1.024 370 K CA 0.825 57.079 56.287 -0.054 0.000 0.748 370 K CB -1.045 31.431 32.500 -0.040 0.000 1.247 370 K HN 0.632 nan 8.250 nan 0.000 0.482 371 R N 0.057 120.563 120.500 0.010 0.000 2.727 371 R HA 0.136 4.706 4.340 0.383 0.000 0.410 371 R C -0.344 176.040 176.300 0.139 0.000 1.101 371 R CA -0.480 55.673 56.100 0.090 0.000 1.045 371 R CB 0.258 30.631 30.300 0.123 0.000 1.380 371 R HN 0.099 nan 8.270 nan 0.000 0.587 372 F N 1.304 121.245 119.950 -0.015 0.000 2.495 372 F HA 0.253 5.010 4.527 0.383 0.000 0.365 372 F C 1.447 177.339 175.800 0.154 0.000 1.090 372 F CA 1.536 59.542 58.000 0.010 0.000 1.235 372 F CB 0.840 39.823 39.000 -0.028 0.000 1.119 372 F HN 0.518 nan 8.300 nan 0.000 0.562 373 G N 3.186 111.926 108.800 -0.101 0.000 2.168 373 G HA2 -0.297 3.893 3.960 0.383 0.000 0.263 373 G HA3 -0.297 3.893 3.960 0.383 0.000 0.263 373 G C 0.224 175.079 174.900 -0.074 0.000 0.977 373 G CA 0.387 45.397 45.100 -0.150 0.000 0.659 373 G HN 1.135 nan 8.290 nan 0.000 0.533 374 S N -0.869 114.821 115.700 -0.017 0.000 2.624 374 S HA 0.545 5.245 4.470 0.383 0.000 0.263 374 S C 1.367 175.919 174.600 -0.081 0.000 1.287 374 S CA 0.488 58.676 58.200 -0.020 0.000 0.990 374 S CB 1.820 65.039 63.200 0.032 0.000 0.950 374 S HN 0.487 nan 8.310 nan 0.000 0.561 375 K N 0.780 121.146 120.400 -0.057 0.000 2.063 375 K HA -0.112 4.438 4.320 0.383 0.000 0.208 375 K C 2.207 178.757 176.600 -0.084 0.000 1.048 375 K CA 1.412 57.655 56.287 -0.073 0.000 0.928 375 K CB -0.925 31.551 32.500 -0.041 0.000 0.713 375 K HN 0.766 nan 8.250 nan 0.000 0.442 376 A N 0.358 123.155 122.820 -0.040 0.000 1.972 376 A HA -0.227 4.323 4.320 0.383 0.000 0.219 376 A C 2.043 179.500 177.584 -0.211 0.000 1.169 376 A CA 1.761 53.790 52.037 -0.014 0.000 0.635 376 A CB -0.911 18.162 19.000 0.121 0.000 0.810 376 A HN 0.638 nan 8.150 nan 0.000 0.446 377 H N -1.274 117.446 119.070 -0.584 0.000 2.270 377 H HA -0.136 4.649 4.556 0.383 0.000 0.299 377 H C 2.038 176.999 175.328 -0.611 0.000 1.077 377 H CA 1.602 56.976 56.048 -1.124 0.000 1.294 377 H CB -0.068 29.172 29.762 -0.870 0.000 1.371 377 H HN 0.322 nan 8.280 nan 0.000 0.491 378 M N 0.946 120.281 119.600 -0.443 0.000 2.108 378 M HA -0.152 4.558 4.480 0.383 0.000 0.261 378 M C 1.706 177.874 176.300 -0.221 0.000 1.066 378 M CA 1.208 56.282 55.300 -0.376 0.000 1.107 378 M CB -0.875 31.559 32.600 -0.275 0.000 1.356 378 M HN 0.333 nan 8.290 nan 0.000 0.406 379 D N -0.410 119.893 120.400 -0.162 0.000 2.144 379 D HA -0.145 4.725 4.640 0.383 0.000 0.200 379 D C 2.134 178.399 176.300 -0.059 0.000 0.978 379 D CA 1.021 54.968 54.000 -0.088 0.000 0.833 379 D CB -0.248 40.521 40.800 -0.052 0.000 0.961 379 D HN 0.160 nan 8.370 nan 0.000 0.470 380 R N 0.358 120.817 120.500 -0.070 0.000 2.090 380 R HA -0.021 4.549 4.340 0.383 0.000 0.228 380 R C 1.923 178.230 176.300 0.011 0.000 1.110 380 R CA 0.644 56.751 56.100 0.012 0.000 0.973 380 R CB -0.807 29.549 30.300 0.094 0.000 0.869 380 R HN 0.079 nan 8.270 nan 0.000 0.440 381 L N 0.825 122.020 121.223 -0.046 0.000 2.017 381 L HA -0.056 4.514 4.340 0.383 0.000 0.208 381 L C 2.160 179.066 176.870 0.060 0.000 1.073 381 L CA 2.077 56.932 54.840 0.025 0.000 0.745 381 L CB -0.886 41.128 42.059 -0.074 0.000 0.894 381 L HN 0.267 nan 8.230 nan 0.000 0.432 382 E N -0.249 119.933 120.200 -0.030 0.000 2.051 382 E HA -0.277 4.303 4.350 0.383 0.000 0.192 382 E C 2.167 178.729 176.600 -0.064 0.000 0.991 382 E CA 1.696 58.055 56.400 -0.068 0.000 0.799 382 E CB -0.187 29.468 29.700 -0.076 0.000 0.748 382 E HN 0.526 nan 8.360 nan 0.000 0.449 383 E N -0.545 119.638 120.200 -0.028 0.000 2.070 383 E HA -0.201 4.379 4.350 0.383 0.000 0.197 383 E C 2.022 178.620 176.600 -0.004 0.000 1.004 383 E CA 1.753 58.149 56.400 -0.007 0.000 0.805 383 E CB -0.061 29.653 29.700 0.024 0.000 0.744 383 E HN 0.214 nan 8.360 nan 0.000 0.451 384 V N 1.989 121.905 119.914 0.003 0.000 2.358 384 V HA -0.262 4.088 4.120 0.383 0.000 0.246 384 V C 2.472 178.524 176.094 -0.070 0.000 1.047 384 V CA 1.947 64.219 62.300 -0.047 0.000 1.035 384 V CB -0.814 30.910 31.823 -0.166 0.000 0.658 384 V HN 0.454 nan 8.190 nan 0.000 0.452 385 N N 0.422 119.055 118.700 -0.112 0.000 2.104 385 N HA -0.239 4.731 4.740 0.383 0.000 0.190 385 N C 1.900 177.237 175.510 -0.289 0.000 1.024 385 N CA 1.683 54.448 53.050 -0.474 0.000 0.853 385 N CB -0.039 37.974 38.487 -0.789 0.000 1.008 385 N HN 0.496 nan 8.380 nan 0.000 0.424 386 K N 0.538 120.836 120.400 -0.171 0.000 2.148 386 K HA -0.121 4.429 4.320 0.383 0.000 0.204 386 K C 1.917 178.482 176.600 -0.059 0.000 1.050 386 K CA 0.899 57.121 56.287 -0.109 0.000 0.942 386 K CB -0.052 32.404 32.500 -0.073 0.000 0.724 386 K HN 0.335 nan 8.250 nan 0.000 0.446 387 E N 0.921 121.106 120.200 -0.025 0.000 2.158 387 E HA -0.104 4.476 4.350 0.383 0.000 0.191 387 E C 1.864 178.490 176.600 0.044 0.000 0.982 387 E CA 0.561 56.980 56.400 0.030 0.000 0.823 387 E CB 0.145 29.898 29.700 0.088 0.000 0.766 387 E HN 0.224 nan 8.360 nan 0.000 0.468 388 I N 1.068 121.654 120.570 0.027 0.000 2.233 388 I HA -0.200 4.200 4.170 0.383 0.000 0.243 388 I C 2.410 178.527 176.117 0.001 0.000 1.093 388 I CA 0.752 62.082 61.300 0.049 0.000 1.380 388 I CB -0.204 37.831 38.000 0.060 0.000 1.067 388 I HN 0.066 nan 8.210 nan 0.000 0.413 389 E N 0.368 120.534 120.200 -0.057 0.000 2.097 389 E HA -0.248 4.332 4.350 0.383 0.000 0.196 389 E C 2.296 178.878 176.600 -0.030 0.000 1.000 389 E CA 1.781 58.145 56.400 -0.060 0.000 0.804 389 E CB -0.228 29.412 29.700 -0.099 0.000 0.740 389 E HN 0.360 nan 8.360 nan 0.000 0.454 390 S N -0.324 115.363 115.700 -0.022 0.000 2.388 390 S HA -0.074 4.626 4.470 0.383 0.000 0.223 390 S C 2.002 176.604 174.600 0.003 0.000 1.034 390 S CA 1.762 59.956 58.200 -0.010 0.000 0.963 390 S CB 0.003 63.198 63.200 -0.008 0.000 0.827 390 S HN 0.396 nan 8.310 nan 0.000 0.481 391 T N -1.719 112.845 114.554 0.016 0.000 3.010 391 T HA 0.256 4.836 4.350 0.383 0.000 0.257 391 T C 1.047 175.762 174.700 0.025 0.000 1.020 391 T CA 1.122 63.235 62.100 0.021 0.000 0.938 391 T CB -0.052 68.835 68.868 0.031 0.000 1.049 391 T HN 1.097 nan 8.240 nan 0.000 0.522 392 S N -1.058 114.662 115.700 0.032 0.000 2.929 392 S HA -0.209 4.491 4.470 0.383 0.000 0.271 392 S C 0.294 174.933 174.600 0.064 0.000 1.295 392 S CA 1.526 59.750 58.200 0.040 0.000 1.277 392 S CB -2.651 60.562 63.200 0.023 0.000 1.557 392 S HN 1.063 nan 8.310 nan 0.000 0.666 393 T N -0.151 114.454 114.554 0.084 0.000 2.618 393 T HA 0.727 5.307 4.350 0.383 0.000 0.293 393 T C -1.585 173.253 174.700 0.230 0.000 1.093 393 T CA -0.050 62.121 62.100 0.119 0.000 1.061 393 T CB 1.422 70.293 68.868 0.005 0.000 1.498 393 T HN 1.386 nan 8.240 nan 0.000 0.494 394 Y N -0.650 119.655 120.300 0.009 0.000 2.689 394 Y HA 0.791 5.572 4.550 0.385 0.000 0.333 394 Y C -1.517 174.396 175.900 0.022 0.000 1.208 394 Y CA -1.247 56.870 58.100 0.028 0.000 1.055 394 Y CB 1.025 39.522 38.460 0.062 0.000 1.304 394 Y HN 0.344 nan 8.280 nan 0.000 0.455 395 Q N 2.389 122.208 119.800 0.032 0.000 2.312 395 Q HA 0.475 5.045 4.340 0.383 0.000 0.263 395 Q C -0.931 175.093 176.000 0.040 0.000 0.995 395 Q CA -0.800 54.974 55.803 -0.048 0.000 0.853 395 Q CB 2.799 31.551 28.738 0.022 0.000 1.300 395 Q HN 0.801 nan 8.270 nan 0.000 0.448 396 L N 2.224 123.432 121.223 -0.025 0.000 2.397 396 L HA 0.197 4.767 4.340 0.383 0.000 0.271 396 L C 0.805 177.709 176.870 0.056 0.000 1.148 396 L CA -0.407 54.472 54.840 0.065 0.000 0.825 396 L CB 0.314 42.389 42.059 0.027 0.000 1.117 396 L HN 0.196 nan 8.230 nan 0.000 0.456 397 K N 1.751 122.187 120.400 0.060 0.000 2.319 397 K HA 0.010 4.560 4.320 0.383 0.000 0.265 397 K C 0.482 177.073 176.600 -0.014 0.000 1.000 397 K CA -0.273 56.025 56.287 0.019 0.000 0.943 397 K CB 0.656 33.157 32.500 0.002 0.000 0.950 397 K HN 0.468 nan 8.250 nan 0.000 0.485 398 D N 0.988 121.381 120.400 -0.011 0.000 2.149 398 D HA -0.179 4.691 4.640 0.383 0.000 0.194 398 D C 1.708 177.996 176.300 -0.020 0.000 1.001 398 D CA 2.261 56.248 54.000 -0.021 0.000 0.849 398 D CB -0.244 40.551 40.800 -0.009 0.000 0.939 398 D HN 0.742 nan 8.370 nan 0.000 0.449 399 T N -1.149 113.392 114.554 -0.022 0.000 2.788 399 T HA -0.133 4.447 4.350 0.383 0.000 0.268 399 T C 1.804 176.461 174.700 -0.071 0.000 1.044 399 T CA 1.189 63.287 62.100 -0.004 0.000 1.139 399 T CB -0.387 68.497 68.868 0.028 0.000 0.867 399 T HN 0.228 nan 8.240 nan 0.000 0.454 400 E N 0.826 120.886 120.200 -0.233 0.000 2.106 400 E HA 0.029 4.609 4.350 0.383 0.000 0.192 400 E C 2.072 178.757 176.600 0.142 0.000 0.984 400 E CA 0.787 57.081 56.400 -0.176 0.000 0.806 400 E CB -0.286 29.357 29.700 -0.094 0.000 0.750 400 E HN 0.324 nan 8.360 nan 0.000 0.458 401 L N 0.989 122.224 121.223 0.020 0.000 2.017 401 L HA -0.166 4.404 4.340 0.383 0.000 0.208 401 L C 2.057 178.917 176.870 -0.017 0.000 1.073 401 L CA 1.558 56.362 54.840 -0.060 0.000 0.745 401 L CB -0.182 41.796 42.059 -0.136 0.000 0.894 401 L HN 0.094 nan 8.230 nan 0.000 0.432 402 I N -1.709 118.879 120.570 0.029 0.000 2.179 402 I HA -0.349 4.051 4.170 0.383 0.000 0.242 402 I C 2.380 178.609 176.117 0.186 0.000 1.088 402 I CA 1.809 63.146 61.300 0.063 0.000 1.357 402 I CB -0.546 37.486 38.000 0.054 0.000 1.051 402 I HN 0.350 nan 8.210 nan 0.000 0.409 403 Y N 1.684 122.081 120.300 0.161 0.000 2.114 403 Y HA -0.264 4.515 4.550 0.383 0.000 0.282 403 Y C 2.417 178.523 175.900 0.344 0.000 1.165 403 Y CA 1.845 60.120 58.100 0.293 0.000 1.148 403 Y CB -0.838 37.799 38.460 0.296 0.000 0.972 403 Y HN 0.109 nan 8.280 nan 0.000 0.504 404 G N -0.295 108.745 108.800 0.401 0.000 2.421 404 G HA2 -0.279 3.911 3.960 0.383 0.000 0.216 404 G HA3 -0.279 3.911 3.960 0.383 0.000 0.216 404 G C 1.796 176.696 174.900 -0.001 0.000 1.171 404 G CA 1.084 46.318 45.100 0.222 0.000 0.775 404 G HN 0.635 nan 8.290 nan 0.000 0.543 405 A N 0.683 123.487 122.820 -0.025 0.000 1.902 405 A HA 0.022 4.572 4.320 0.383 0.000 0.217 405 A C 2.305 179.937 177.584 0.080 0.000 1.181 405 A CA 1.943 53.950 52.037 -0.050 0.000 0.623 405 A CB -0.345 18.628 19.000 -0.045 0.000 0.818 405 A HN 0.371 nan 8.150 nan 0.000 0.443 406 K N -1.367 119.126 120.400 0.154 0.000 2.057 406 K HA -0.163 4.387 4.320 0.383 0.000 0.207 406 K C 1.922 178.605 176.600 0.138 0.000 1.049 406 K CA 1.730 58.185 56.287 0.280 0.000 0.931 406 K CB -0.283 32.412 32.500 0.326 0.000 0.714 406 K HN 0.644 nan 8.250 nan 0.000 0.440 407 H N -0.216 118.777 119.070 -0.127 0.000 2.462 407 H HA 0.054 4.840 4.556 0.383 0.000 0.292 407 H C 1.845 177.046 175.328 -0.212 0.000 1.049 407 H CA 1.088 56.952 56.048 -0.307 0.000 1.334 407 H CB -0.039 29.443 29.762 -0.466 0.000 1.404 407 H HN 0.241 nan 8.280 nan 0.000 0.544 408 A N 0.378 123.123 122.820 -0.125 0.000 1.933 408 A HA -0.205 4.345 4.320 0.383 0.000 0.218 408 A C 2.022 179.593 177.584 -0.023 0.000 1.175 408 A CA 1.489 53.331 52.037 -0.325 0.000 0.628 408 A CB -0.867 17.550 19.000 -0.971 0.000 0.814 408 A HN 0.600 nan 8.150 nan 0.000 0.444 409 W N 0.746 122.031 121.300 -0.025 0.000 2.407 409 W HA -0.062 4.831 4.660 0.387 0.000 0.305 409 W C 2.298 178.782 176.519 -0.058 0.000 1.196 409 W CA 1.281 58.672 57.345 0.078 0.000 1.311 409 W CB -0.762 28.747 29.460 0.081 0.000 1.135 409 W HN 0.343 nan 8.180 nan 0.000 0.514 410 R N 0.259 120.666 120.500 -0.154 0.000 2.133 410 R HA -0.224 4.346 4.340 0.383 0.000 0.247 410 R C 1.455 177.575 176.300 -0.300 0.000 1.151 410 R CA 1.944 57.699 56.100 -0.575 0.000 0.971 410 R CB -0.489 29.060 30.300 -1.253 0.000 0.866 410 R HN 0.127 nan 8.270 nan 0.000 0.447 411 N N -0.192 118.411 118.700 -0.163 0.000 2.336 411 N HA 0.040 5.010 4.740 0.383 0.000 0.189 411 N C -0.472 175.016 175.510 -0.036 0.000 1.113 411 N CA 0.525 53.510 53.050 -0.108 0.000 0.858 411 N CB 0.656 39.092 38.487 -0.085 0.000 0.970 411 N HN 0.140 nan 8.380 nan 0.000 0.471 412 A N 1.122 123.979 122.820 0.062 0.000 2.655 412 A HA 0.157 4.707 4.320 0.383 0.000 0.297 412 A C 1.431 179.042 177.584 0.045 0.000 1.461 412 A CA -0.162 51.934 52.037 0.099 0.000 1.146 412 A CB -0.262 18.870 19.000 0.221 0.000 1.108 412 A HN 0.265 nan 8.150 nan 0.000 0.550 413 S N 2.629 118.311 115.700 -0.030 0.000 2.474 413 S HA -0.131 4.569 4.470 0.383 0.000 0.235 413 S C 1.450 176.028 174.600 -0.037 0.000 0.997 413 S CA 0.939 59.113 58.200 -0.043 0.000 0.949 413 S CB -0.198 62.937 63.200 -0.108 0.000 0.766 413 S HN 0.753 nan 8.310 nan 0.000 0.517 414 R N -0.261 120.187 120.500 -0.085 0.000 2.310 414 R HA 0.252 4.822 4.340 0.383 0.000 0.202 414 R C 0.210 176.524 176.300 0.023 0.000 0.933 414 R CA 0.076 56.130 56.100 -0.077 0.000 1.054 414 R CB -0.172 29.904 30.300 -0.372 0.000 0.985 414 R HN 0.447 nan 8.270 nan 0.000 0.489 415 C N 0.415 119.734 119.300 0.031 0.000 2.255 415 C HA 0.234 4.924 4.460 0.383 0.000 0.326 415 C C 1.948 176.928 174.990 -0.018 0.000 1.258 415 C CA -0.742 58.321 59.018 0.076 0.000 1.676 415 C CB 0.609 28.478 27.740 0.214 0.000 2.314 415 C HN 0.278 nan 8.230 nan 0.000 0.509 416 V N 5.883 125.730 119.914 -0.112 0.000 2.970 416 V HA 0.138 4.488 4.120 0.383 0.000 0.260 416 V C 1.858 178.002 176.094 0.082 0.000 1.100 416 V CA 2.401 64.544 62.300 -0.263 0.000 1.122 416 V CB -0.238 31.460 31.823 -0.208 0.000 0.721 416 V HN 1.082 nan 8.190 nan 0.000 0.483 417 G N -0.844 108.039 108.800 0.138 0.000 3.371 417 G HA2 0.041 4.231 3.960 0.383 0.000 0.248 417 G HA3 0.041 4.231 3.960 0.383 0.000 0.248 417 G C 1.257 176.211 174.900 0.089 0.000 1.161 417 G CA -0.330 44.861 45.100 0.152 0.000 0.796 417 G HN 0.439 nan 8.290 nan 0.000 0.539 418 R N -0.219 120.286 120.500 0.009 0.000 2.316 418 R HA 0.145 4.715 4.340 0.383 0.000 0.202 418 R C 2.033 177.824 176.300 -0.849 0.000 1.029 418 R CA 0.049 55.877 56.100 -0.453 0.000 1.018 418 R CB -0.156 30.011 30.300 -0.222 0.000 0.888 418 R HN 0.453 nan 8.270 nan 0.000 0.471 419 I N 1.012 121.177 120.570 -0.674 0.000 2.530 419 I HA -0.277 4.123 4.170 0.383 0.000 0.257 419 I C 1.345 177.236 176.117 -0.377 0.000 1.179 419 I CA 1.345 62.324 61.300 -0.536 0.000 1.440 419 I CB 0.175 38.110 38.000 -0.110 0.000 1.087 419 I HN 0.182 nan 8.210 nan 0.000 0.440 420 Q N 0.394 119.931 119.800 -0.438 0.000 2.403 420 Q HA -0.095 4.475 4.340 0.383 0.000 0.203 420 Q C 1.636 177.135 176.000 -0.836 0.000 0.932 420 Q CA 0.522 56.074 55.803 -0.418 0.000 0.945 420 Q CB -0.225 28.453 28.738 -0.100 0.000 1.045 420 Q HN 0.807 nan 8.270 nan 0.000 0.511 421 W N 1.073 121.652 121.300 -1.201 0.000 2.325 421 W HA -0.194 4.695 4.660 0.382 0.000 0.299 421 W C 1.295 177.485 176.519 -0.547 0.000 1.215 421 W CA 1.527 58.026 57.345 -1.410 0.000 1.244 421 W CB -1.207 27.604 29.460 -1.082 0.000 1.140 421 W HN 0.168 nan 8.180 nan 0.000 0.523 422 S N 0.539 115.386 115.700 -1.422 0.000 2.562 422 S HA 0.032 4.732 4.470 0.383 0.000 0.221 422 S C 1.392 175.704 174.600 -0.481 0.000 0.975 422 S CA 0.382 57.855 58.200 -1.212 0.000 0.918 422 S CB -0.375 61.865 63.200 -1.600 0.000 0.772 422 S HN 0.293 nan 8.310 nan 0.000 0.531 423 K N 0.750 120.972 120.400 -0.298 0.000 2.417 423 K HA 0.272 4.822 4.320 0.383 0.000 0.196 423 K C -0.060 176.573 176.600 0.056 0.000 1.023 423 K CA -0.315 55.921 56.287 -0.086 0.000 1.122 423 K CB -0.103 32.381 32.500 -0.027 0.000 0.850 423 K HN 0.339 nan 8.250 nan 0.000 0.521 424 L N 2.323 123.628 121.223 0.136 0.000 2.513 424 L HA -0.032 4.538 4.340 0.383 0.000 0.272 424 L C 0.032 176.896 176.870 -0.010 0.000 1.187 424 L CA 0.360 55.305 54.840 0.175 0.000 0.895 424 L CB 0.432 42.675 42.059 0.307 0.000 1.147 424 L HN -0.001 nan 8.230 nan 0.000 0.483 425 Q N 3.821 123.558 119.800 -0.106 0.000 2.294 425 Q HA 0.399 4.969 4.340 0.383 0.000 0.257 425 Q C -1.362 174.297 176.000 -0.568 0.000 0.955 425 Q CA -0.144 55.433 55.803 -0.376 0.000 0.936 425 Q CB 1.032 29.465 28.738 -0.507 0.000 1.188 425 Q HN 0.530 nan 8.270 nan 0.000 0.420 426 V N 6.038 125.643 119.914 -0.515 0.000 2.370 426 V HA 0.415 4.765 4.120 0.383 0.000 0.279 426 V C -0.704 175.074 176.094 -0.527 0.000 1.029 426 V CA -0.548 61.507 62.300 -0.408 0.000 0.870 426 V CB 0.502 32.200 31.823 -0.209 0.000 0.984 426 V HN 0.633 nan 8.190 nan 0.000 0.451 427 F N 2.640 122.468 119.950 -0.205 0.000 2.385 427 F HA 0.371 5.132 4.527 0.391 0.000 0.360 427 F C 0.457 176.095 175.800 -0.271 0.000 1.122 427 F CA -1.151 56.723 58.000 -0.211 0.000 1.090 427 F CB 1.067 39.953 39.000 -0.190 0.000 1.150 427 F HN 0.430 nan 8.300 nan 0.000 0.472 428 D N 3.254 123.622 120.400 -0.053 0.000 2.374 428 D HA 0.339 5.209 4.640 0.383 0.000 0.240 428 D C 0.225 176.356 176.300 -0.281 0.000 1.229 428 D CA 0.136 54.032 54.000 -0.173 0.000 0.895 428 D CB 1.077 41.819 40.800 -0.098 0.000 1.046 428 D HN 0.607 nan 8.370 nan 0.000 0.498 429 A N 4.593 127.061 122.820 -0.588 0.000 2.610 429 A HA 0.153 4.703 4.320 0.383 0.000 0.286 429 A C 1.574 178.859 177.584 -0.499 0.000 1.306 429 A CA -0.394 51.048 52.037 -0.991 0.000 0.942 429 A CB -0.018 17.831 19.000 -1.918 0.000 1.112 429 A HN 0.544 nan 8.150 nan 0.000 0.527 430 R N 0.517 120.855 120.500 -0.271 0.000 2.316 430 R HA -0.073 4.497 4.340 0.383 0.000 0.202 430 R C 0.620 176.875 176.300 -0.074 0.000 1.029 430 R CA 1.141 57.152 56.100 -0.147 0.000 1.018 430 R CB 0.029 30.290 30.300 -0.066 0.000 0.888 430 R HN 0.657 nan 8.270 nan 0.000 0.471 431 D N -0.737 119.650 120.400 -0.021 0.000 2.339 431 D HA -0.056 4.814 4.640 0.383 0.000 0.217 431 D C 0.258 176.644 176.300 0.145 0.000 1.050 431 D CA -0.288 53.754 54.000 0.070 0.000 0.856 431 D CB -0.448 40.414 40.800 0.104 0.000 0.922 431 D HN -0.007 nan 8.370 nan 0.000 0.518 432 C N 1.432 120.817 119.300 0.141 0.000 2.637 432 C HA 0.456 5.146 4.460 0.383 0.000 0.418 432 C C 1.830 177.008 174.990 0.313 0.000 1.319 432 C CA 0.700 59.896 59.018 0.296 0.000 1.949 432 C CB -0.072 27.901 27.740 0.388 0.000 2.639 432 C HN 0.556 nan 8.230 nan 0.000 0.594 433 T N 0.483 115.250 114.554 0.356 0.000 2.969 433 T HA 0.258 4.838 4.350 0.383 0.000 0.258 433 T C 0.373 175.258 174.700 0.309 0.000 0.962 433 T CA 0.594 62.919 62.100 0.375 0.000 0.903 433 T CB -0.111 68.899 68.868 0.236 0.000 1.177 433 T HN 0.861 nan 8.240 nan 0.000 0.511 434 T N -1.740 112.979 114.554 0.276 0.000 2.887 434 T HA 0.813 5.394 4.350 0.383 0.000 0.292 434 T C 1.343 176.146 174.700 0.172 0.000 1.087 434 T CA -0.248 61.966 62.100 0.190 0.000 1.009 434 T CB 1.497 70.489 68.868 0.206 0.000 1.203 434 T HN 0.058 nan 8.240 nan 0.000 0.518 435 A N -0.186 122.715 122.820 0.136 0.000 1.968 435 A HA 0.032 4.582 4.320 0.383 0.000 0.217 435 A C 1.946 179.486 177.584 -0.075 0.000 1.169 435 A CA 1.476 53.551 52.037 0.063 0.000 0.638 435 A CB -1.357 17.740 19.000 0.162 0.000 0.812 435 A HN 0.992 nan 8.150 nan 0.000 0.446 436 H N -0.498 118.637 119.070 0.108 0.000 2.353 436 H HA -0.028 5.233 4.556 1.175 0.000 0.300 436 H C 2.386 177.722 175.328 0.013 0.000 1.090 436 H CA 1.649 57.712 56.048 0.025 0.000 1.327 436 H CB -0.335 29.538 29.762 0.186 0.000 1.383 436 H HN 0.475 nan 8.280 nan 0.000 0.508 437 G N 0.236 109.161 108.800 0.209 0.000 2.446 437 G HA2 -0.295 3.895 3.960 0.383 0.000 0.217 437 G HA3 -0.295 3.895 3.960 0.383 0.000 0.217 437 G C 1.636 176.706 174.900 0.284 0.000 1.168 437 G CA 1.187 46.420 45.100 0.221 0.000 0.771 437 G HN 0.285 nan 8.290 nan 0.000 0.551 438 M N -0.499 119.216 119.600 0.192 0.000 2.080 438 M HA -0.015 4.695 4.480 0.383 0.000 0.260 438 M C 2.344 178.686 176.300 0.071 0.000 1.068 438 M CA 1.548 56.894 55.300 0.076 0.000 1.109 438 M CB -0.538 31.877 32.600 -0.308 0.000 1.342 438 M HN 0.301 nan 8.290 nan 0.000 0.405 439 F N 1.363 121.095 119.950 -0.363 0.000 2.065 439 F HA -0.345 4.504 4.527 0.536 0.000 0.298 439 F C 2.191 177.888 175.800 -0.172 0.000 1.112 439 F CA 2.077 59.803 58.000 -0.457 0.000 1.212 439 F CB -0.289 38.050 39.000 -1.102 0.000 0.975 439 F HN 0.184 nan 8.300 nan 0.000 0.476 440 N N -0.332 118.192 118.700 -0.294 0.000 2.069 440 N HA -0.280 4.690 4.740 0.383 0.000 0.191 440 N C 1.792 177.149 175.510 -0.255 0.000 1.031 440 N CA 2.188 55.033 53.050 -0.342 0.000 0.852 440 N CB -0.826 37.531 38.487 -0.217 0.000 1.018 440 N HN 0.508 nan 8.380 nan 0.000 0.423 441 Y N 0.174 120.430 120.300 -0.074 0.000 2.207 441 Y HA -0.084 4.692 4.550 0.377 0.000 0.287 441 Y C 2.161 178.028 175.900 -0.055 0.000 1.156 441 Y CA 1.094 59.169 58.100 -0.042 0.000 1.182 441 Y CB -0.069 38.472 38.460 0.134 0.000 0.979 441 Y HN 0.129 nan 8.280 nan 0.000 0.521 442 I N -1.644 119.014 120.570 0.148 0.000 2.286 442 I HA -0.318 4.082 4.170 0.383 0.000 0.245 442 I C 2.238 178.319 176.117 -0.060 0.000 1.104 442 I CA 0.711 62.049 61.300 0.063 0.000 1.397 442 I CB -0.413 37.623 38.000 0.060 0.000 1.072 442 I HN 0.290 nan 8.210 nan 0.000 0.417 443 C N 0.736 119.889 119.300 -0.244 0.000 2.429 443 C HA -0.132 4.558 4.460 0.383 0.000 0.277 443 C C 2.613 177.520 174.990 -0.138 0.000 1.262 443 C CA 0.790 59.657 59.018 -0.252 0.000 1.733 443 C CB -1.415 26.052 27.740 -0.455 0.000 2.010 443 C HN 0.545 nan 8.230 nan 0.000 0.483 444 N N 0.012 118.610 118.700 -0.170 0.000 2.120 444 N HA -0.140 4.830 4.740 0.383 0.000 0.188 444 N C 1.426 176.852 175.510 -0.140 0.000 1.024 444 N CA 1.472 54.412 53.050 -0.183 0.000 0.852 444 N CB -0.822 37.483 38.487 -0.302 0.000 1.003 444 N HN 0.753 nan 8.380 nan 0.000 0.424 445 H N 0.392 119.335 119.070 -0.212 0.000 2.267 445 H HA -0.044 4.742 4.556 0.384 0.000 0.297 445 H C 1.894 177.275 175.328 0.088 0.000 1.080 445 H CA 1.895 57.914 56.048 -0.049 0.000 1.278 445 H CB -0.018 29.760 29.762 0.027 0.000 1.365 445 H HN -0.098 nan 8.280 nan 0.000 0.489 446 V N 0.963 121.045 119.914 0.280 0.000 2.282 446 V HA -0.307 4.043 4.120 0.383 0.000 0.249 446 V C 2.498 178.684 176.094 0.154 0.000 1.057 446 V CA 2.387 64.802 62.300 0.191 0.000 1.032 446 V CB -0.570 31.289 31.823 0.060 0.000 0.645 446 V HN 0.447 nan 8.190 nan 0.000 0.447 447 K N -1.147 119.311 120.400 0.097 0.000 2.057 447 K HA -0.215 4.335 4.320 0.383 0.000 0.206 447 K C 2.262 178.922 176.600 0.101 0.000 1.050 447 K CA 1.696 58.025 56.287 0.070 0.000 0.935 447 K CB -0.330 32.186 32.500 0.026 0.000 0.715 447 K HN 0.525 nan 8.250 nan 0.000 0.439 448 Y N 0.843 121.163 120.300 0.033 0.000 2.114 448 Y HA -0.236 4.542 4.550 0.382 0.000 0.284 448 Y C 2.004 177.971 175.900 0.111 0.000 1.143 448 Y CA 1.942 60.091 58.100 0.081 0.000 1.135 448 Y CB -0.436 38.114 38.460 0.150 0.000 0.980 448 Y HN 0.155 nan 8.280 nan 0.000 0.499 449 A N -0.849 122.121 122.820 0.250 0.000 1.930 449 A HA -0.149 4.401 4.320 0.383 0.000 0.217 449 A C 2.208 179.847 177.584 0.092 0.000 1.175 449 A CA 2.172 54.321 52.037 0.185 0.000 0.627 449 A CB -1.266 17.918 19.000 0.307 0.000 0.815 449 A HN 0.523 nan 8.150 nan 0.000 0.443 450 T N -0.385 114.226 114.554 0.095 0.000 2.701 450 T HA -0.091 4.489 4.350 0.383 0.000 0.263 450 T C 1.088 175.797 174.700 0.015 0.000 1.040 450 T CA 1.352 63.499 62.100 0.078 0.000 1.147 450 T CB -0.361 68.555 68.868 0.079 0.000 0.865 450 T HN 0.643 nan 8.240 nan 0.000 0.426 451 N N 1.056 119.737 118.700 -0.032 0.000 2.740 451 N HA -0.220 4.750 4.740 0.383 0.000 0.248 451 N C -0.373 175.111 175.510 -0.044 0.000 1.062 451 N CA 0.823 53.827 53.050 -0.078 0.000 0.704 451 N CB -1.624 36.774 38.487 -0.148 0.000 0.968 451 N HN 0.615 nan 8.380 nan 0.000 0.547 452 K N -2.596 117.792 120.400 -0.020 0.000 3.088 452 K HA -0.216 4.334 4.320 0.383 0.000 0.273 452 K C 1.029 177.616 176.600 -0.021 0.000 1.111 452 K CA 1.066 57.343 56.287 -0.017 0.000 0.803 452 K CB -1.790 30.697 32.500 -0.023 0.000 1.226 452 K HN 0.974 nan 8.250 nan 0.000 0.485 453 G N 0.514 109.309 108.800 -0.008 0.000 2.238 453 G HA2 -0.323 3.867 3.960 0.383 0.000 0.217 453 G HA3 -0.323 3.867 3.960 0.383 0.000 0.217 453 G C -0.165 174.726 174.900 -0.015 0.000 0.996 453 G CA 0.095 45.192 45.100 -0.005 0.000 0.632 453 G HN 0.488 nan 8.290 nan 0.000 0.503 454 N N 1.465 120.142 118.700 -0.039 0.000 2.868 454 N HA 0.425 5.395 4.740 0.383 0.000 0.252 454 N C 0.599 176.077 175.510 -0.054 0.000 1.130 454 N CA -0.462 52.546 53.050 -0.070 0.000 1.026 454 N CB -0.138 38.302 38.487 -0.078 0.000 1.335 454 N HN 0.337 nan 8.380 nan 0.000 0.516 455 L N 2.138 123.355 121.223 -0.010 0.000 2.461 455 L HA 0.268 4.838 4.340 0.383 0.000 0.272 455 L C 0.630 177.613 176.870 0.188 0.000 1.197 455 L CA 0.107 55.019 54.840 0.120 0.000 0.836 455 L CB 0.519 42.749 42.059 0.286 0.000 1.105 455 L HN 0.362 nan 8.230 nan 0.000 0.477 456 R N 1.005 121.626 120.500 0.201 0.000 2.575 456 R HA 0.297 4.867 4.340 0.383 0.000 0.293 456 R C -0.531 175.942 176.300 0.289 0.000 0.983 456 R CA -0.551 55.688 56.100 0.233 0.000 0.887 456 R CB 2.248 32.543 30.300 -0.008 0.000 1.184 456 R HN 0.782 nan 8.270 nan 0.000 0.445 457 S N 1.536 117.415 115.700 0.299 0.000 2.564 457 S HA 0.657 5.357 4.470 0.383 0.000 0.278 457 S C -0.108 174.554 174.600 0.103 0.000 1.333 457 S CA -0.464 57.810 58.200 0.123 0.000 1.048 457 S CB 1.516 64.727 63.200 0.017 0.000 0.900 457 S HN 0.704 nan 8.310 nan 0.000 0.505 458 A N 2.643 125.476 122.820 0.021 0.000 2.594 458 A HA 0.776 5.326 4.320 0.383 0.000 0.295 458 A C -1.126 176.464 177.584 0.010 0.000 1.071 458 A CA -0.840 51.134 52.037 -0.105 0.000 0.685 458 A CB 1.218 20.073 19.000 -0.241 0.000 1.285 458 A HN 1.164 nan 8.150 nan 0.000 0.405 459 I N 0.544 121.105 120.570 -0.015 0.000 2.647 459 I HA 0.701 5.101 4.170 0.383 0.000 0.295 459 I C -0.914 175.302 176.117 0.165 0.000 1.078 459 I CA -0.170 61.249 61.300 0.198 0.000 1.048 459 I CB 2.426 40.501 38.000 0.125 0.000 1.239 459 I HN 0.602 nan 8.210 nan 0.000 0.421 460 T N 7.667 122.369 114.554 0.247 0.000 2.792 460 T HA 0.575 5.155 4.350 0.383 0.000 0.280 460 T C -0.457 174.067 174.700 -0.294 0.000 0.990 460 T CA -0.241 61.860 62.100 0.002 0.000 0.960 460 T CB 1.017 69.914 68.868 0.048 0.000 0.939 460 T HN 0.304 nan 8.240 nan 0.000 0.439 461 I N 3.998 124.282 120.570 -0.477 0.000 2.382 461 I HA 0.408 4.808 4.170 0.383 0.000 0.285 461 I C -0.528 175.247 176.117 -0.570 0.000 1.007 461 I CA -0.670 60.371 61.300 -0.432 0.000 1.142 461 I CB 0.753 38.483 38.000 -0.449 0.000 1.289 461 I HN 0.473 nan 8.210 nan 0.000 0.453 462 F N 6.625 126.492 119.950 -0.138 0.000 2.368 462 F HA 0.441 5.204 4.527 0.392 0.000 0.308 462 F C -1.849 173.809 175.800 -0.236 0.000 1.198 462 F CA -2.205 55.629 58.000 -0.276 0.000 1.130 462 F CB -0.207 38.646 39.000 -0.246 0.000 1.300 462 F HN 0.212 nan 8.300 nan 0.000 0.537 463 P HA 0.005 nan 4.420 nan 0.000 0.267 463 P C -1.012 176.238 177.300 -0.083 0.000 1.200 463 P CA -0.243 62.700 63.100 -0.263 0.000 0.772 463 P CB 0.269 31.660 31.700 -0.515 0.000 0.855 464 Q N 2.684 122.406 119.800 -0.130 0.000 2.382 464 Q HA 0.173 4.743 4.340 0.383 0.000 0.229 464 Q C 0.114 176.006 176.000 -0.181 0.000 1.006 464 Q CA -0.675 54.875 55.803 -0.423 0.000 0.916 464 Q CB 0.736 28.927 28.738 -0.912 0.000 1.235 464 Q HN 0.309 nan 8.270 nan 0.000 0.512 465 R N 0.554 120.944 120.500 -0.182 0.000 2.640 465 R HA -0.008 4.562 4.340 0.383 0.000 0.270 465 R C 0.229 176.490 176.300 -0.065 0.000 1.024 465 R CA 1.080 57.146 56.100 -0.057 0.000 1.085 465 R CB 0.518 30.777 30.300 -0.067 0.000 0.963 465 R HN 0.961 nan 8.270 nan 0.000 0.426 466 T N -0.431 114.126 114.554 0.004 0.000 3.556 466 T HA 0.006 4.586 4.350 0.383 0.000 0.204 466 T C 0.904 175.609 174.700 0.007 0.000 0.896 466 T CA 0.289 62.381 62.100 -0.013 0.000 1.380 466 T CB -0.289 68.563 68.868 -0.027 0.000 1.584 466 T HN 0.722 nan 8.240 nan 0.000 0.411 467 D N 0.791 121.220 120.400 0.048 0.000 2.349 467 D HA 0.291 5.161 4.640 0.383 0.000 0.214 467 D C 1.602 177.944 176.300 0.071 0.000 1.063 467 D CA 0.588 54.625 54.000 0.062 0.000 0.847 467 D CB -0.446 40.403 40.800 0.082 0.000 0.933 467 D HN 0.947 nan 8.370 nan 0.000 0.513 468 G N 0.741 109.587 108.800 0.076 0.000 2.184 468 G HA2 -0.372 3.818 3.960 0.383 0.000 0.264 468 G HA3 -0.372 3.818 3.960 0.383 0.000 0.264 468 G C 0.919 175.844 174.900 0.042 0.000 0.975 468 G CA 0.478 45.606 45.100 0.047 0.000 0.642 468 G HN 0.457 nan 8.290 nan 0.000 0.536 469 K N -0.493 119.954 120.400 0.078 0.000 2.414 469 K HA 0.372 4.922 4.320 0.383 0.000 0.204 469 K C 0.546 177.020 176.600 -0.209 0.000 1.026 469 K CA -0.000 56.263 56.287 -0.039 0.000 1.108 469 K CB 0.370 32.833 32.500 -0.063 0.000 0.855 469 K HN 0.512 nan 8.250 nan 0.000 0.517 470 H N -0.333 118.743 119.070 0.010 0.000 2.637 470 H HA 0.182 4.967 4.556 0.382 0.000 0.245 470 H C -1.094 174.247 175.328 0.021 0.000 1.190 470 H CA -0.804 55.246 56.048 0.003 0.000 0.934 470 H CB 0.283 30.064 29.762 0.033 0.000 1.950 470 H HN 0.003 nan 8.280 nan 0.000 0.614 471 D N 0.515 120.969 120.400 0.090 0.000 2.424 471 D HA 0.024 4.894 4.640 0.383 0.000 0.244 471 D C -0.045 176.303 176.300 0.079 0.000 1.134 471 D CA 0.266 54.343 54.000 0.128 0.000 0.881 471 D CB 0.452 41.299 40.800 0.078 0.000 1.191 471 D HN 0.109 nan 8.370 nan 0.000 0.445 472 F N 2.640 122.623 119.950 0.054 0.000 2.427 472 F HA 0.341 5.094 4.527 0.377 0.000 0.352 472 F C 1.080 176.899 175.800 0.032 0.000 1.100 472 F CA -0.075 57.940 58.000 0.024 0.000 1.191 472 F CB 0.628 39.644 39.000 0.026 0.000 1.128 472 F HN -0.128 nan 8.300 nan 0.000 0.533 473 R N 1.875 122.470 120.500 0.159 0.000 2.651 473 R HA 0.489 5.059 4.340 0.383 0.000 0.278 473 R C -1.668 174.746 176.300 0.189 0.000 1.010 473 R CA -0.960 55.240 56.100 0.167 0.000 0.896 473 R CB 1.972 32.380 30.300 0.180 0.000 1.211 473 R HN 0.350 nan 8.270 nan 0.000 0.456 474 V N 3.230 123.231 119.914 0.144 0.000 2.364 474 V HA 0.132 4.482 4.120 0.383 0.000 0.272 474 V C 0.518 176.761 176.094 0.248 0.000 1.036 474 V CA -0.410 61.981 62.300 0.152 0.000 0.880 474 V CB 1.051 32.903 31.823 0.049 0.000 0.991 474 V HN 0.728 nan 8.190 nan 0.000 0.460 475 W N 2.347 123.674 121.300 0.045 0.000 2.402 475 W HA -0.012 4.894 4.660 0.409 0.000 0.286 475 W C 1.116 177.645 176.519 0.017 0.000 1.221 475 W CA -0.194 57.257 57.345 0.177 0.000 1.257 475 W CB -0.723 28.986 29.460 0.414 0.000 1.120 475 W HN 0.544 nan 8.180 nan 0.000 0.551 476 N N 0.175 118.845 118.700 -0.051 0.000 2.395 476 N HA -0.037 4.933 4.740 0.383 0.000 0.246 476 N C 1.117 176.415 175.510 -0.354 0.000 1.246 476 N CA 0.918 53.582 53.050 -0.643 0.000 0.879 476 N CB 0.460 38.706 38.487 -0.402 0.000 1.098 476 N HN -0.187 nan 8.380 nan 0.000 0.444 477 S N 0.601 116.082 115.700 -0.366 0.000 2.387 477 S HA -0.083 4.617 4.470 0.383 0.000 0.226 477 S C 0.341 174.827 174.600 -0.191 0.000 1.026 477 S CA 0.983 59.069 58.200 -0.190 0.000 0.972 477 S CB -0.030 63.124 63.200 -0.076 0.000 0.814 477 S HN 0.611 nan 8.310 nan 0.000 0.477 478 Q N -0.706 118.965 119.800 -0.216 0.000 2.423 478 Q HA 0.481 5.051 4.340 0.383 0.000 0.278 478 Q C 0.347 176.193 176.000 -0.256 0.000 1.097 478 Q CA -0.452 55.219 55.803 -0.221 0.000 0.809 478 Q CB 1.878 30.529 28.738 -0.146 0.000 1.391 478 Q HN 0.073 nan 8.270 nan 0.000 0.428 479 L N 0.642 121.712 121.223 -0.255 0.000 2.079 479 L HA -0.052 4.518 4.340 0.383 0.000 0.210 479 L C 0.535 177.245 176.870 -0.265 0.000 1.081 479 L CA 1.376 56.083 54.840 -0.222 0.000 0.752 479 L CB -0.087 41.844 42.059 -0.214 0.000 0.896 479 L HN 0.499 nan 8.230 nan 0.000 0.433 480 I N -0.492 119.833 120.570 -0.408 0.000 2.389 480 I HA 0.384 4.784 4.170 0.383 0.000 0.288 480 I C -0.131 175.404 176.117 -0.970 0.000 0.999 480 I CA -0.300 60.602 61.300 -0.664 0.000 1.129 480 I CB 1.724 39.258 38.000 -0.777 0.000 1.288 480 I HN 0.051 nan 8.210 nan 0.000 0.444 481 R N 4.087 124.150 120.500 -0.729 0.000 2.690 481 R HA 0.454 5.024 4.340 0.383 0.000 0.269 481 R C -1.775 174.318 176.300 -0.345 0.000 1.037 481 R CA -0.906 54.869 56.100 -0.541 0.000 0.877 481 R CB 2.261 32.446 30.300 -0.192 0.000 1.255 481 R HN 0.415 nan 8.270 nan 0.000 0.467 482 Y N 0.547 120.887 120.300 0.067 0.000 2.310 482 Y HA 0.471 5.251 4.550 0.384 0.000 0.326 482 Y C 0.847 176.818 175.900 0.119 0.000 1.151 482 Y CA -0.697 57.492 58.100 0.148 0.000 1.195 482 Y CB 1.542 40.169 38.460 0.278 0.000 1.210 482 Y HN 0.607 nan 8.280 nan 0.000 0.483 483 A N 1.810 124.793 122.820 0.272 0.000 2.425 483 A HA 0.562 5.112 4.320 0.383 0.000 0.242 483 A C 0.439 177.919 177.584 -0.174 0.000 1.077 483 A CA 0.304 52.344 52.037 0.005 0.000 0.781 483 A CB -0.177 18.837 19.000 0.024 0.000 1.020 483 A HN 0.883 nan 8.150 nan 0.000 0.494 484 G N -0.424 108.151 108.800 -0.374 0.000 2.542 484 G HA2 0.604 4.794 3.960 0.383 0.000 0.311 484 G HA3 0.604 4.794 3.960 0.383 0.000 0.311 484 G C -1.441 173.174 174.900 -0.474 0.000 1.298 484 G CA -0.337 44.576 45.100 -0.312 0.000 0.973 484 G HN 0.567 nan 8.290 nan 0.000 0.487 485 Y N 0.588 120.904 120.300 0.027 0.000 2.421 485 Y HA 0.402 5.181 4.550 0.381 0.000 0.339 485 Y C 0.403 176.302 175.900 -0.002 0.000 0.996 485 Y CA -1.098 57.013 58.100 0.019 0.000 1.046 485 Y CB 2.335 40.805 38.460 0.016 0.000 1.226 485 Y HN 0.261 nan 8.280 nan 0.000 0.445 486 K N 3.617 124.103 120.400 0.144 0.000 2.339 486 K HA 0.217 4.767 4.320 0.383 0.000 0.286 486 K C -0.437 176.204 176.600 0.069 0.000 1.050 486 K CA -0.543 55.791 56.287 0.079 0.000 0.956 486 K CB 0.695 33.225 32.500 0.050 0.000 0.990 486 K HN 0.573 nan 8.250 nan 0.000 0.475 487 Q N 2.584 122.410 119.800 0.043 0.000 2.222 487 Q HA 0.147 4.717 4.340 0.383 0.000 0.252 487 Q C -1.739 174.266 176.000 0.009 0.000 0.926 487 Q CA -1.961 53.854 55.803 0.020 0.000 0.899 487 Q CB 1.010 29.755 28.738 0.012 0.000 1.250 487 Q HN 0.313 nan 8.270 nan 0.000 0.441 488 P HA -0.223 nan 4.420 nan 0.000 0.218 488 P C 0.716 178.014 177.300 -0.004 0.000 1.150 488 P CA 1.508 64.605 63.100 -0.005 0.000 0.841 488 P CB 0.293 31.986 31.700 -0.013 0.000 0.784 489 D N -1.926 118.472 120.400 -0.004 0.000 2.190 489 D HA -0.118 4.752 4.640 0.383 0.000 0.200 489 D C 1.610 177.911 176.300 0.001 0.000 0.992 489 D CA 1.999 55.997 54.000 -0.003 0.000 0.854 489 D CB -0.555 40.243 40.800 -0.003 0.000 0.936 489 D HN 0.194 nan 8.370 nan 0.000 0.462 490 G N -1.076 107.727 108.800 0.005 0.000 2.232 490 G HA2 -0.278 3.912 3.960 0.383 0.000 0.226 490 G HA3 -0.278 3.912 3.960 0.383 0.000 0.226 490 G C 0.532 175.438 174.900 0.009 0.000 0.996 490 G CA 0.567 45.672 45.100 0.008 0.000 0.626 490 G HN 0.662 nan 8.290 nan 0.000 0.509 491 S N -0.269 115.435 115.700 0.007 0.000 2.661 491 S HA 0.724 5.424 4.470 0.383 0.000 0.265 491 S C 0.032 174.638 174.600 0.011 0.000 1.225 491 S CA 0.569 58.772 58.200 0.006 0.000 0.986 491 S CB 1.710 64.911 63.200 0.003 0.000 1.008 491 S HN 0.638 nan 8.310 nan 0.000 0.565 492 T N 1.201 115.756 114.554 0.002 0.000 2.841 492 T HA 0.552 5.132 4.350 0.383 0.000 0.283 492 T C -0.959 173.738 174.700 -0.005 0.000 1.000 492 T CA -0.499 61.603 62.100 0.003 0.000 0.977 492 T CB 1.155 70.009 68.868 -0.023 0.000 0.979 492 T HN 0.553 nan 8.240 nan 0.000 0.446 493 L N 3.286 124.538 121.223 0.048 0.000 2.295 493 L HA 0.751 5.321 4.340 0.383 0.000 0.285 493 L C 0.702 177.606 176.870 0.058 0.000 1.035 493 L CA 1.054 55.930 54.840 0.060 0.000 0.806 493 L CB 0.270 42.394 42.059 0.109 0.000 1.214 493 L HN 0.976 nan 8.230 nan 0.000 0.426 494 G N 3.774 112.529 108.800 -0.074 0.000 2.512 494 G HA2 -0.243 3.947 3.960 0.383 0.000 0.240 494 G HA3 -0.243 3.947 3.960 0.383 0.000 0.240 494 G C -0.687 173.898 174.900 -0.525 0.000 1.246 494 G CA 0.037 45.041 45.100 -0.159 0.000 0.919 494 G HN 0.835 nan 8.290 nan 0.000 0.577 495 D N 1.596 121.831 120.400 -0.275 0.000 2.347 495 D HA 0.522 5.392 4.640 0.383 0.000 0.235 495 D C -1.000 175.231 176.300 -0.116 0.000 1.149 495 D CA -1.882 51.958 54.000 -0.267 0.000 0.850 495 D CB 1.340 42.315 40.800 0.292 0.000 1.061 495 D HN -0.000 nan 8.370 nan 0.000 0.487 496 P HA -0.052 nan 4.420 nan 0.000 0.225 496 P C 0.915 178.231 177.300 0.028 0.000 1.148 496 P CA 0.655 63.728 63.100 -0.046 0.000 0.779 496 P CB 0.250 31.924 31.700 -0.043 0.000 0.780 497 A N -0.227 122.637 122.820 0.075 0.000 2.070 497 A HA -0.139 4.411 4.320 0.383 0.000 0.220 497 A C 1.605 179.266 177.584 0.128 0.000 1.159 497 A CA 1.423 53.533 52.037 0.121 0.000 0.656 497 A CB -0.839 18.263 19.000 0.170 0.000 0.800 497 A HN 0.160 nan 8.150 nan 0.000 0.453 498 N N -0.624 118.141 118.700 0.108 0.000 2.275 498 N HA 0.167 5.137 4.740 0.383 0.000 0.236 498 N C 1.017 176.565 175.510 0.064 0.000 1.154 498 N CA 0.121 53.246 53.050 0.124 0.000 0.866 498 N CB 0.744 39.317 38.487 0.142 0.000 1.093 498 N HN 0.183 nan 8.380 nan 0.000 0.515 499 V N 0.998 120.929 119.914 0.028 0.000 2.261 499 V HA -0.262 4.088 4.120 0.383 0.000 0.246 499 V C 2.585 178.663 176.094 -0.025 0.000 1.047 499 V CA 1.841 64.130 62.300 -0.018 0.000 1.015 499 V CB -0.346 31.477 31.823 0.000 0.000 0.642 499 V HN 0.361 nan 8.190 nan 0.000 0.446 500 Q N -1.128 118.673 119.800 0.001 0.000 2.096 500 Q HA -0.255 4.315 4.340 0.383 0.000 0.204 500 Q C 2.156 178.026 176.000 -0.216 0.000 0.982 500 Q CA 2.298 58.052 55.803 -0.082 0.000 0.850 500 Q CB -0.216 28.512 28.738 -0.018 0.000 0.901 500 Q HN 0.639 nan 8.270 nan 0.000 0.422 501 F N 0.734 120.511 119.950 -0.288 0.000 2.134 501 F HA -0.180 4.572 4.527 0.376 0.000 0.299 501 F C 2.127 177.796 175.800 -0.218 0.000 1.097 501 F CA 1.890 59.683 58.000 -0.345 0.000 1.264 501 F CB -0.544 38.363 39.000 -0.156 0.000 1.001 501 F HN 0.005 nan 8.300 nan 0.000 0.479 502 T N 0.364 114.804 114.554 -0.190 0.000 2.684 502 T HA -0.237 4.343 4.350 0.383 0.000 0.267 502 T C 1.717 176.322 174.700 -0.159 0.000 1.036 502 T CA 1.954 63.929 62.100 -0.207 0.000 1.148 502 T CB -0.428 68.334 68.868 -0.176 0.000 0.863 502 T HN 0.427 nan 8.240 nan 0.000 0.436 503 E N 0.591 120.704 120.200 -0.144 0.000 2.077 503 E HA -0.067 4.513 4.350 0.383 0.000 0.193 503 E C 2.225 178.728 176.600 -0.162 0.000 0.989 503 E CA 0.934 57.273 56.400 -0.101 0.000 0.800 503 E CB -0.350 29.298 29.700 -0.087 0.000 0.746 503 E HN 0.492 nan 8.360 nan 0.000 0.452 504 I N 0.901 121.303 120.570 -0.281 0.000 2.226 504 I HA -0.323 4.077 4.170 0.383 0.000 0.245 504 I C 2.500 178.451 176.117 -0.277 0.000 1.100 504 I CA 0.749 61.884 61.300 -0.276 0.000 1.374 504 I CB -0.347 37.456 38.000 -0.328 0.000 1.057 504 I HN 0.239 nan 8.210 nan 0.000 0.413 505 C N 0.811 119.857 119.300 -0.423 0.000 2.413 505 C HA -0.167 4.523 4.460 0.383 0.000 0.276 505 C C 2.735 177.716 174.990 -0.015 0.000 1.236 505 C CA 0.680 59.509 59.018 -0.315 0.000 1.735 505 C CB -0.882 26.557 27.740 -0.502 0.000 2.031 505 C HN 0.431 nan 8.230 nan 0.000 0.474 506 I N 0.932 121.539 120.570 0.061 0.000 2.179 506 I HA -0.283 4.117 4.170 0.383 0.000 0.242 506 I C 2.888 179.000 176.117 -0.007 0.000 1.088 506 I CA 1.961 63.318 61.300 0.095 0.000 1.357 506 I CB -0.753 37.301 38.000 0.090 0.000 1.051 506 I HN 0.492 nan 8.210 nan 0.000 0.409 507 Q N 0.679 120.440 119.800 -0.065 0.000 2.226 507 Q HA -0.240 4.330 4.340 0.383 0.000 0.204 507 Q C 1.781 177.704 176.000 -0.128 0.000 0.975 507 Q CA 1.250 56.990 55.803 -0.104 0.000 0.866 507 Q CB -0.065 28.593 28.738 -0.134 0.000 0.915 507 Q HN 0.514 nan 8.270 nan 0.000 0.440 508 Q N -0.640 119.087 119.800 -0.122 0.000 2.451 508 Q HA 0.088 4.658 4.340 0.383 0.000 0.206 508 Q C 0.964 176.913 176.000 -0.085 0.000 0.947 508 Q CA 1.076 56.804 55.803 -0.125 0.000 0.937 508 Q CB 0.929 29.585 28.738 -0.137 0.000 1.025 508 Q HN 0.667 nan 8.270 nan 0.000 0.511 509 G N -0.450 108.326 108.800 -0.040 0.000 2.227 509 G HA2 -0.189 4.001 3.960 0.383 0.000 0.168 509 G HA3 -0.189 4.001 3.960 0.383 0.000 0.168 509 G C -0.524 174.405 174.900 0.048 0.000 1.006 509 G CA -0.347 44.740 45.100 -0.020 0.000 0.684 509 G HN 0.247 nan 8.290 nan 0.000 0.489 510 W N 3.266 124.493 121.300 -0.120 0.000 2.264 510 W HA 0.549 5.434 4.660 0.376 0.000 0.331 510 W C 0.437 176.922 176.519 -0.057 0.000 1.364 510 W CA -0.214 57.075 57.345 -0.094 0.000 1.253 510 W CB 0.494 29.895 29.460 -0.098 0.000 1.215 510 W HN 0.082 nan 8.180 nan 0.000 0.561 511 K N 6.014 126.134 120.400 -0.467 0.000 2.273 511 K HA 0.481 5.031 4.320 0.383 0.000 0.287 511 K C 0.065 176.009 176.600 -1.093 0.000 1.089 511 K CA -0.413 55.543 56.287 -0.551 0.000 0.909 511 K CB 0.449 32.748 32.500 -0.335 0.000 1.123 511 K HN 0.458 nan 8.250 nan 0.000 0.473 512 A N 4.460 126.710 122.820 -0.949 0.000 2.366 512 A HA 0.276 4.826 4.320 0.383 0.000 0.272 512 A C -1.633 175.608 177.584 -0.572 0.000 1.135 512 A CA -1.277 50.112 52.037 -1.081 0.000 0.804 512 A CB 0.225 18.994 19.000 -0.386 0.000 1.064 512 A HN 0.518 nan 8.150 nan 0.000 0.499 513 P HA -0.041 nan 4.420 nan 0.000 0.230 513 P C -0.098 177.059 177.300 -0.238 0.000 1.158 513 P CA 0.108 63.080 63.100 -0.214 0.000 0.769 513 P CB 0.132 31.799 31.700 -0.055 0.000 0.807 514 R N -1.021 119.231 120.500 -0.412 0.000 3.264 514 R HA -0.122 4.448 4.340 0.383 0.000 0.251 514 R C 0.578 176.679 176.300 -0.333 0.000 0.971 514 R CA 0.933 56.566 56.100 -0.779 0.000 0.658 514 R CB -2.728 27.195 30.300 -0.629 0.000 1.095 514 R HN 0.359 nan 8.270 nan 0.000 0.443 515 G N -0.745 108.028 108.800 -0.046 0.000 2.667 515 G HA2 0.476 4.666 3.960 0.383 0.000 0.310 515 G HA3 0.476 4.666 3.960 0.383 0.000 0.310 515 G C 0.541 175.538 174.900 0.163 0.000 1.259 515 G CA -0.540 44.603 45.100 0.071 0.000 1.019 515 G HN 0.209 nan 8.290 nan 0.000 0.496 516 R N -1.380 119.162 120.500 0.069 0.000 2.200 516 R HA 0.183 4.753 4.340 0.383 0.000 0.208 516 R C -0.077 175.972 176.300 -0.417 0.000 1.033 516 R CA 0.682 56.705 56.100 -0.127 0.000 1.000 516 R CB -0.055 30.126 30.300 -0.197 0.000 0.906 516 R HN 0.369 nan 8.270 nan 0.000 0.462 517 F N 1.154 121.129 119.950 0.041 0.000 2.566 517 F HA 0.269 5.025 4.527 0.381 0.000 0.347 517 F C -1.101 174.740 175.800 0.067 0.000 1.515 517 F CA -1.108 56.708 58.000 -0.307 0.000 1.103 517 F CB 0.922 39.564 39.000 -0.597 0.000 1.385 517 F HN -0.207 nan 8.300 nan 0.000 0.560 518 D N 1.701 122.359 120.400 0.430 0.000 2.316 518 D HA 0.174 5.044 4.640 0.383 0.000 0.245 518 D C 0.258 176.900 176.300 0.569 0.000 1.171 518 D CA -0.016 54.291 54.000 0.511 0.000 0.856 518 D CB 2.153 43.297 40.800 0.573 0.000 1.090 518 D HN -0.055 nan 8.370 nan 0.000 0.476 519 V N 3.640 123.840 119.914 0.476 0.000 2.509 519 V HA -0.080 4.270 4.120 0.383 0.000 0.297 519 V C 1.060 177.233 176.094 0.131 0.000 1.014 519 V CA -0.054 62.386 62.300 0.232 0.000 1.127 519 V CB -0.194 31.717 31.823 0.145 0.000 0.925 519 V HN 0.351 nan 8.190 nan 0.000 0.480 520 L N 8.719 129.918 121.223 -0.041 0.000 2.467 520 L HA 0.273 4.843 4.340 0.383 0.000 0.270 520 L C -1.662 175.028 176.870 -0.301 0.000 1.205 520 L CA -1.200 53.468 54.840 -0.286 0.000 0.828 520 L CB 0.440 42.447 42.059 -0.087 0.000 1.101 520 L HN 0.480 nan 8.230 nan 0.000 0.479 521 P HA 0.215 nan 4.420 nan 0.000 0.278 521 P C -0.956 176.268 177.300 -0.127 0.000 1.258 521 P CA -0.527 62.362 63.100 -0.351 0.000 0.811 521 P CB 0.856 32.182 31.700 -0.624 0.000 1.063 522 L N 1.101 122.322 121.223 -0.003 0.000 2.371 522 L HA 0.362 4.932 4.340 0.383 0.000 0.272 522 L C 0.607 177.537 176.870 0.100 0.000 1.124 522 L CA -0.483 54.419 54.840 0.102 0.000 0.816 522 L CB 0.302 42.455 42.059 0.156 0.000 1.129 522 L HN 0.229 nan 8.230 nan 0.000 0.448 523 L N 4.883 126.205 121.223 0.164 0.000 2.345 523 L HA 0.497 5.067 4.340 0.383 0.000 0.274 523 L C -0.994 175.863 176.870 -0.021 0.000 0.999 523 L CA -0.350 54.501 54.840 0.019 0.000 0.849 523 L CB 1.163 43.263 42.059 0.069 0.000 1.220 523 L HN 0.511 nan 8.230 nan 0.000 0.422 524 L N 4.346 125.536 121.223 -0.057 0.000 2.322 524 L HA 0.499 5.069 4.340 0.383 0.000 0.281 524 L C -0.391 176.372 176.870 -0.177 0.000 1.014 524 L CA -0.431 54.381 54.840 -0.047 0.000 0.815 524 L CB 2.040 44.121 42.059 0.036 0.000 1.247 524 L HN 0.561 nan 8.230 nan 0.000 0.421 525 Q N 2.940 122.641 119.800 -0.165 0.000 2.341 525 Q HA 0.691 5.261 4.340 0.383 0.000 0.268 525 Q C -1.376 174.461 176.000 -0.272 0.000 1.013 525 Q CA -0.595 55.078 55.803 -0.217 0.000 0.798 525 Q CB 2.094 30.781 28.738 -0.085 0.000 1.253 525 Q HN 0.764 nan 8.270 nan 0.000 0.457 526 A N 4.235 126.822 122.820 -0.389 0.000 2.304 526 A HA 0.372 4.922 4.320 0.383 0.000 0.323 526 A C 0.168 177.251 177.584 -0.836 0.000 1.195 526 A CA -0.326 51.221 52.037 -0.817 0.000 0.826 526 A CB 0.554 19.330 19.000 -0.373 0.000 1.184 526 A HN 1.144 nan 8.150 nan 0.000 0.496 527 N N 1.124 118.971 118.700 -1.421 0.000 2.725 527 N HA -0.247 4.723 4.740 0.383 0.000 0.249 527 N C 0.997 176.372 175.510 -0.225 0.000 1.103 527 N CA 1.181 53.917 53.050 -0.524 0.000 0.707 527 N CB -0.671 37.702 38.487 -0.190 0.000 1.043 527 N HN 2.188 nan 8.380 nan 0.000 0.553 528 G N -1.224 107.429 108.800 -0.244 0.000 2.189 528 G HA2 -0.342 3.848 3.960 0.383 0.000 0.267 528 G HA3 -0.342 3.848 3.960 0.383 0.000 0.267 528 G C 0.231 175.088 174.900 -0.072 0.000 0.975 528 G CA 0.572 45.593 45.100 -0.131 0.000 0.644 528 G HN 0.587 nan 8.290 nan 0.000 0.537 529 N N 1.247 119.868 118.700 -0.131 0.000 2.326 529 N HA 0.249 5.219 4.740 0.383 0.000 0.239 529 N C 0.082 175.532 175.510 -0.100 0.000 1.301 529 N CA -0.098 52.904 53.050 -0.081 0.000 0.909 529 N CB 0.273 38.703 38.487 -0.096 0.000 1.156 529 N HN 0.205 nan 8.380 nan 0.000 0.462 530 D N 1.172 121.536 120.400 -0.060 0.000 2.443 530 D HA 0.122 4.992 4.640 0.383 0.000 0.239 530 D C -1.851 174.242 176.300 -0.345 0.000 1.136 530 D CA -0.501 53.384 54.000 -0.193 0.000 0.879 530 D CB 0.142 40.982 40.800 0.067 0.000 1.195 530 D HN 0.285 nan 8.370 nan 0.000 0.443 531 P HA 0.154 nan 4.420 nan 0.000 0.274 531 P C -0.611 176.447 177.300 -0.403 0.000 1.231 531 P CA -0.233 62.462 63.100 -0.676 0.000 0.790 531 P CB 1.228 32.060 31.700 -1.446 0.000 0.951 532 E N 0.779 120.800 120.200 -0.298 0.000 2.244 532 E HA 0.475 5.055 4.350 0.383 0.000 0.266 532 E C -0.550 175.781 176.600 -0.448 0.000 0.914 532 E CA -1.022 55.170 56.400 -0.346 0.000 0.794 532 E CB 1.588 31.070 29.700 -0.362 0.000 1.210 532 E HN 0.350 nan 8.360 nan 0.000 0.414 533 L N 2.368 123.228 121.223 -0.604 0.000 2.312 533 L HA 0.466 5.036 4.340 0.383 0.000 0.281 533 L C -0.960 175.339 176.870 -0.951 0.000 1.070 533 L CA -0.208 54.309 54.840 -0.539 0.000 0.805 533 L CB 0.298 42.150 42.059 -0.345 0.000 1.174 533 L HN 0.432 nan 8.230 nan 0.000 0.434 534 F N 0.711 120.447 119.950 -0.357 0.000 2.591 534 F HA 0.351 4.309 4.527 -0.949 0.000 0.309 534 F C -0.201 175.381 175.800 -0.363 0.000 1.098 534 F CA -0.799 56.857 58.000 -0.573 0.000 0.937 534 F CB 1.918 40.236 39.000 -1.137 0.000 1.250 534 F HN 0.266 nan 8.300 nan 0.000 0.447 535 Q N 2.709 122.454 119.800 -0.092 0.000 2.278 535 Q HA 0.537 5.107 4.340 0.383 0.000 0.257 535 Q C -0.687 175.452 176.000 0.231 0.000 0.928 535 Q CA -0.253 55.594 55.803 0.074 0.000 0.932 535 Q CB 0.966 29.782 28.738 0.129 0.000 1.221 535 Q HN 0.572 nan 8.270 nan 0.000 0.434 536 I N 6.782 127.519 120.570 0.278 0.000 2.668 536 I HA 0.058 4.458 4.170 0.383 0.000 0.285 536 I C -1.798 174.456 176.117 0.229 0.000 1.168 536 I CA -1.611 59.880 61.300 0.318 0.000 1.424 536 I CB 0.357 38.454 38.000 0.161 0.000 1.377 536 I HN 0.535 nan 8.210 nan 0.000 0.560 537 P HA -0.031 nan 4.420 nan 0.000 0.258 537 P C -1.983 175.385 177.300 0.113 0.000 1.172 537 P CA -0.622 62.570 63.100 0.153 0.000 0.762 537 P CB 0.064 31.829 31.700 0.108 0.000 0.764 538 P HA -0.213 nan 4.420 nan 0.000 0.216 538 P C 1.356 178.702 177.300 0.076 0.000 1.150 538 P CA 1.373 64.532 63.100 0.098 0.000 0.843 538 P CB -0.182 31.577 31.700 0.099 0.000 0.787 539 E N 0.072 120.312 120.200 0.066 0.000 2.409 539 E HA -0.115 4.465 4.350 0.383 0.000 0.198 539 E C 1.479 178.104 176.600 0.043 0.000 1.024 539 E CA 0.882 57.312 56.400 0.049 0.000 0.861 539 E CB -0.970 28.756 29.700 0.042 0.000 0.788 539 E HN 0.326 nan 8.360 nan 0.000 0.521 540 L N 0.962 122.213 121.223 0.046 0.000 2.567 540 L HA 0.139 4.709 4.340 0.383 0.000 0.225 540 L C 0.486 177.382 176.870 0.043 0.000 1.119 540 L CA -0.083 54.780 54.840 0.037 0.000 0.871 540 L CB 0.571 42.645 42.059 0.025 0.000 1.036 540 L HN -0.114 nan 8.230 nan 0.000 0.459 541 V N 2.210 122.154 119.914 0.050 0.000 2.288 541 V HA 0.134 4.484 4.120 0.383 0.000 0.266 541 V C 0.054 176.187 176.094 0.066 0.000 1.048 541 V CA -0.546 61.785 62.300 0.052 0.000 0.842 541 V CB 1.196 33.048 31.823 0.048 0.000 1.064 541 V HN 0.067 nan 8.190 nan 0.000 0.472 542 L N 5.621 126.886 121.223 0.069 0.000 2.433 542 L HA 0.384 4.954 4.340 0.383 0.000 0.275 542 L C 0.188 177.103 176.870 0.075 0.000 1.128 542 L CA 0.815 55.688 54.840 0.055 0.000 0.875 542 L CB 0.081 42.166 42.059 0.043 0.000 1.171 542 L HN 0.634 nan 8.230 nan 0.000 0.463 543 E N 3.405 123.631 120.200 0.044 0.000 2.244 543 E HA 0.593 5.173 4.350 0.383 0.000 0.266 543 E C -1.372 175.190 176.600 -0.063 0.000 0.914 543 E CA -1.005 55.424 56.400 0.050 0.000 0.794 543 E CB 2.464 32.224 29.700 0.099 0.000 1.210 543 E HN 0.402 nan 8.360 nan 0.000 0.414 544 V N 3.683 123.534 119.914 -0.106 0.000 2.407 544 V HA 0.306 4.656 4.120 0.383 0.000 0.291 544 V C -2.295 173.771 176.094 -0.046 0.000 1.018 544 V CA -1.985 60.195 62.300 -0.200 0.000 0.842 544 V CB 1.396 32.852 31.823 -0.612 0.000 0.996 544 V HN 0.559 nan 8.190 nan 0.000 0.426 545 P HA 0.252 nan 4.420 nan 0.000 0.271 545 P C -0.818 176.531 177.300 0.082 0.000 1.216 545 P CA -0.130 62.975 63.100 0.009 0.000 0.771 545 P CB 0.863 32.565 31.700 0.004 0.000 0.864 546 I N 4.474 125.139 120.570 0.158 0.000 2.315 546 I HA 0.320 4.720 4.170 0.383 0.000 0.291 546 I C 1.172 177.501 176.117 0.354 0.000 1.006 546 I CA -0.355 61.115 61.300 0.283 0.000 1.265 546 I CB 0.254 38.512 38.000 0.430 0.000 1.387 546 I HN 0.436 nan 8.210 nan 0.000 0.475 547 R N 5.300 125.963 120.500 0.271 0.000 2.912 547 R HA 0.541 5.111 4.340 0.383 0.000 0.262 547 R C -1.187 175.154 176.300 0.069 0.000 1.057 547 R CA -0.681 55.579 56.100 0.266 0.000 0.981 547 R CB 2.130 32.564 30.300 0.223 0.000 1.201 547 R HN 0.579 nan 8.270 nan 0.000 0.484 548 H N 1.178 120.130 119.070 -0.197 0.000 2.492 548 H HA 0.321 5.107 4.556 0.383 0.000 0.345 548 H C -1.790 173.229 175.328 -0.516 0.000 1.136 548 H CA -2.055 53.711 56.048 -0.470 0.000 1.202 548 H CB 2.580 31.942 29.762 -0.667 0.000 1.524 548 H HN 0.335 nan 8.280 nan 0.000 0.506 549 P HA -0.020 nan 4.420 nan 0.000 0.226 549 P C 0.262 177.279 177.300 -0.471 0.000 1.153 549 P CA 1.057 63.525 63.100 -1.053 0.000 0.777 549 P CB 0.731 31.631 31.700 -1.334 0.000 0.794 550 K N -1.639 118.597 120.400 -0.273 0.000 2.424 550 K HA 0.190 4.740 4.320 0.383 0.000 0.198 550 K C 0.561 177.022 176.600 -0.232 0.000 1.190 550 K CA 0.009 56.129 56.287 -0.278 0.000 0.935 550 K CB 0.213 32.471 32.500 -0.404 0.000 1.087 550 K HN 0.084 nan 8.250 nan 0.000 0.524 551 F N 2.668 122.481 119.950 -0.228 0.000 2.404 551 F HA 0.072 4.829 4.527 0.383 0.000 0.359 551 F C 1.137 176.614 175.800 -0.539 0.000 1.134 551 F CA -0.841 56.777 58.000 -0.636 0.000 1.160 551 F CB 0.888 39.090 39.000 -1.330 0.000 1.186 551 F HN -0.011 nan 8.300 nan 0.000 0.526 552 D N 4.643 124.966 120.400 -0.129 0.000 2.219 552 D HA -0.164 4.706 4.640 0.383 0.000 0.205 552 D C 1.966 178.286 176.300 0.033 0.000 0.970 552 D CA 1.105 55.097 54.000 -0.013 0.000 0.851 552 D CB 0.059 40.901 40.800 0.071 0.000 0.943 552 D HN 0.648 nan 8.370 nan 0.000 0.488 553 W N -0.545 120.859 121.300 0.175 0.000 2.595 553 W HA -0.055 4.835 4.660 0.383 0.000 0.257 553 W C 1.474 178.075 176.519 0.137 0.000 1.267 553 W CA -0.372 57.039 57.345 0.110 0.000 1.300 553 W CB -1.394 28.087 29.460 0.034 0.000 1.120 553 W HN -0.092 nan 8.180 nan 0.000 0.618 554 F N 3.809 123.614 119.950 -0.242 0.000 2.161 554 F HA -0.262 4.495 4.527 0.383 0.000 0.300 554 F C 2.721 178.575 175.800 0.090 0.000 1.089 554 F CA 3.124 61.059 58.000 -0.108 0.000 1.282 554 F CB -0.194 38.630 39.000 -0.294 0.000 1.010 554 F HN -0.127 nan 8.300 nan 0.000 0.485 555 K N -0.575 119.974 120.400 0.247 0.000 2.280 555 K HA -0.167 4.383 4.320 0.383 0.000 0.202 555 K C 1.155 177.818 176.600 0.105 0.000 1.047 555 K CA 1.788 58.183 56.287 0.180 0.000 0.942 555 K CB -0.502 32.089 32.500 0.152 0.000 0.739 555 K HN 0.203 nan 8.250 nan 0.000 0.457 556 D N 1.424 121.894 120.400 0.116 0.000 2.347 556 D HA -0.036 4.834 4.640 0.383 0.000 0.215 556 D C 1.807 178.134 176.300 0.046 0.000 0.976 556 D CA 0.589 54.642 54.000 0.089 0.000 0.884 556 D CB 0.002 40.872 40.800 0.117 0.000 0.915 556 D HN 0.267 nan 8.370 nan 0.000 0.526 557 L N 0.163 121.382 121.223 -0.007 0.000 2.353 557 L HA -0.028 4.542 4.340 0.383 0.000 0.220 557 L C 1.589 178.456 176.870 -0.006 0.000 1.133 557 L CA 0.743 55.545 54.840 -0.064 0.000 0.798 557 L CB -0.566 41.346 42.059 -0.245 0.000 0.922 557 L HN 0.102 nan 8.230 nan 0.000 0.445 558 G N 0.553 109.364 108.800 0.018 0.000 2.198 558 G HA2 -0.284 3.906 3.960 0.383 0.000 0.260 558 G HA3 -0.284 3.906 3.960 0.383 0.000 0.260 558 G C 0.100 175.021 174.900 0.035 0.000 1.025 558 G CA -0.060 45.073 45.100 0.056 0.000 0.769 558 G HN 0.262 nan 8.290 nan 0.000 0.507 559 L N -0.271 120.928 121.223 -0.040 0.000 2.350 559 L HA 0.699 5.269 4.340 0.383 0.000 0.275 559 L C 0.700 177.447 176.870 -0.205 0.000 1.099 559 L CA -0.397 54.355 54.840 -0.147 0.000 0.808 559 L CB 1.324 43.270 42.059 -0.188 0.000 1.149 559 L HN 0.474 nan 8.230 nan 0.000 0.442 560 K N 1.621 121.727 120.400 -0.489 0.000 2.533 560 K HA 0.545 5.095 4.320 0.383 0.000 0.272 560 K C -1.872 174.784 176.600 0.092 0.000 0.985 560 K CA -1.031 55.122 56.287 -0.223 0.000 0.876 560 K CB 2.529 34.822 32.500 -0.345 0.000 1.452 560 K HN 0.562 nan 8.250 nan 0.000 0.439 561 W N 1.944 123.276 121.300 0.054 0.000 3.062 561 W HA 0.366 5.259 4.660 0.389 0.000 0.336 561 W C -1.298 175.342 176.519 0.201 0.000 1.224 561 W CA -0.879 56.564 57.345 0.163 0.000 1.159 561 W CB 1.844 31.277 29.460 -0.046 0.000 1.454 561 W HN 0.710 nan 8.180 nan 0.000 0.569 562 Y N 0.051 120.333 120.300 -0.031 0.000 2.335 562 Y HA 0.581 5.365 4.550 0.390 0.000 0.323 562 Y C 0.963 177.121 175.900 0.429 0.000 1.224 562 Y CA -0.245 57.898 58.100 0.071 0.000 1.241 562 Y CB 0.406 38.760 38.460 -0.176 0.000 1.235 562 Y HN 0.443 nan 8.280 nan 0.000 0.492 563 G N 1.480 110.560 108.800 0.467 0.000 2.511 563 G HA2 -0.012 4.178 3.960 0.383 0.000 0.217 563 G HA3 -0.012 4.178 3.960 0.383 0.000 0.217 563 G C -0.295 174.959 174.900 0.590 0.000 1.133 563 G CA 0.090 45.528 45.100 0.562 0.000 0.792 563 G HN 0.533 nan 8.290 nan 0.000 0.539 564 L N 2.403 123.939 121.223 0.522 0.000 2.277 564 L HA 0.476 5.046 4.340 0.383 0.000 0.284 564 L C -2.339 174.679 176.870 0.246 0.000 1.028 564 L CA -2.586 52.440 54.840 0.310 0.000 0.835 564 L CB 1.843 44.020 42.059 0.197 0.000 1.215 564 L HN -0.183 nan 8.230 nan 0.000 0.425 565 P HA 0.369 nan 4.420 nan 0.000 0.293 565 P C -1.420 175.786 177.300 -0.156 0.000 1.313 565 P CA -0.348 62.631 63.100 -0.203 0.000 0.787 565 P CB 1.488 32.716 31.700 -0.788 0.000 0.910 566 A N 4.252 126.978 122.820 -0.157 0.000 2.522 566 A HA 0.409 4.959 4.320 0.383 0.000 0.285 566 A C -0.466 176.882 177.584 -0.394 0.000 1.198 566 A CA -0.634 51.243 52.037 -0.267 0.000 0.742 566 A CB 0.799 19.663 19.000 -0.227 0.000 1.176 566 A HN 0.292 nan 8.150 nan 0.000 0.444 567 V N 2.895 122.414 119.914 -0.658 0.000 2.508 567 V HA 0.301 4.651 4.120 0.383 0.000 0.281 567 V C 1.220 176.853 176.094 -0.768 0.000 1.041 567 V CA 1.142 62.995 62.300 -0.744 0.000 1.016 567 V CB 1.152 32.335 31.823 -1.067 0.000 0.984 567 V HN 1.120 nan 8.190 nan 0.000 0.478 568 S N 1.795 117.237 115.700 -0.430 0.000 2.733 568 S HA 0.058 4.758 4.470 0.383 0.000 0.247 568 S C 0.805 175.297 174.600 -0.181 0.000 1.043 568 S CA -0.054 57.975 58.200 -0.285 0.000 1.066 568 S CB -0.092 62.984 63.200 -0.207 0.000 1.045 568 S HN 0.794 nan 8.310 nan 0.000 0.586 569 N N 1.136 119.712 118.700 -0.206 0.000 2.203 569 N HA 0.305 5.275 4.740 0.383 0.000 0.207 569 N C 0.044 175.429 175.510 -0.209 0.000 1.130 569 N CA -0.275 52.651 53.050 -0.207 0.000 0.861 569 N CB -0.218 38.111 38.487 -0.263 0.000 1.005 569 N HN 0.389 nan 8.380 nan 0.000 0.507 570 M N 0.324 119.875 119.600 -0.083 0.000 2.613 570 M HA 0.385 5.095 4.480 0.383 0.000 0.301 570 M C -0.669 175.719 176.300 0.147 0.000 1.205 570 M CA -0.971 54.355 55.300 0.044 0.000 0.950 570 M CB 2.198 34.931 32.600 0.221 0.000 1.585 570 M HN 0.010 nan 8.290 nan 0.000 0.490 571 L N 2.346 123.673 121.223 0.175 0.000 2.313 571 L HA 0.489 5.059 4.340 0.383 0.000 0.283 571 L C -1.388 175.623 176.870 0.235 0.000 1.013 571 L CA -0.958 53.986 54.840 0.172 0.000 0.816 571 L CB 1.246 43.348 42.059 0.071 0.000 1.236 571 L HN 0.543 nan 8.230 nan 0.000 0.419 572 L N 5.223 126.598 121.223 0.253 0.000 2.260 572 L HA 0.382 4.952 4.340 0.383 0.000 0.289 572 L C -0.276 176.653 176.870 0.099 0.000 1.057 572 L CA 0.363 55.260 54.840 0.095 0.000 0.811 572 L CB 1.049 43.169 42.059 0.102 0.000 1.184 572 L HN 0.697 nan 8.230 nan 0.000 0.429 573 E N 5.943 126.123 120.200 -0.034 0.000 2.113 573 E HA 0.459 5.039 4.350 0.383 0.000 0.273 573 E C -1.385 175.166 176.600 -0.082 0.000 0.924 573 E CA -0.476 55.907 56.400 -0.028 0.000 0.764 573 E CB 0.858 30.534 29.700 -0.040 0.000 1.104 573 E HN 0.712 nan 8.360 nan 0.000 0.406 574 I N 3.422 123.949 120.570 -0.071 0.000 2.466 574 I HA 0.315 4.715 4.170 0.383 0.000 0.289 574 I C 0.738 176.631 176.117 -0.373 0.000 1.026 574 I CA -0.568 60.557 61.300 -0.291 0.000 1.078 574 I CB 2.053 39.847 38.000 -0.344 0.000 1.249 574 I HN 0.865 nan 8.210 nan 0.000 0.429 575 G N 4.240 112.787 108.800 -0.420 0.000 2.341 575 G HA2 -0.133 4.057 3.960 0.383 0.000 0.292 575 G HA3 -0.133 4.057 3.960 0.383 0.000 0.292 575 G C 1.041 175.982 174.900 0.068 0.000 1.021 575 G CA 0.748 45.781 45.100 -0.112 0.000 0.905 575 G HN 1.566 nan 8.290 nan 0.000 0.508 576 G N -2.052 106.751 108.800 0.005 0.000 2.212 576 G HA2 -0.270 3.920 3.960 0.383 0.000 0.266 576 G HA3 -0.270 3.920 3.960 0.383 0.000 0.266 576 G C 0.540 175.410 174.900 -0.051 0.000 0.978 576 G CA 0.727 45.837 45.100 0.017 0.000 0.632 576 G HN 1.323 nan 8.290 nan 0.000 0.537 577 L N 0.354 121.493 121.223 -0.141 0.000 2.399 577 L HA 0.614 5.184 4.340 0.383 0.000 0.266 577 L C 0.375 177.030 176.870 -0.359 0.000 1.114 577 L CA -0.477 54.169 54.840 -0.324 0.000 0.804 577 L CB 1.130 42.881 42.059 -0.513 0.000 1.146 577 L HN 0.140 nan 8.230 nan 0.000 0.451 578 E N 2.174 122.082 120.200 -0.486 0.000 2.185 578 E HA 0.333 4.913 4.350 0.383 0.000 0.261 578 E C -1.532 174.797 176.600 -0.450 0.000 0.879 578 E CA -0.361 55.850 56.400 -0.313 0.000 0.756 578 E CB 1.568 31.170 29.700 -0.164 0.000 1.152 578 E HN 0.275 nan 8.360 nan 0.000 0.416 579 F N 2.027 121.956 119.950 -0.035 0.000 2.303 579 F HA 0.095 4.850 4.527 0.380 0.000 0.368 579 F C 1.521 177.355 175.800 0.056 0.000 1.105 579 F CA -0.428 57.573 58.000 0.001 0.000 1.153 579 F CB 1.067 40.054 39.000 -0.021 0.000 1.362 579 F HN 0.404 nan 8.300 nan 0.000 0.511 580 S N 1.196 116.999 115.700 0.173 0.000 2.481 580 S HA 0.252 4.952 4.470 0.383 0.000 0.231 580 S C 0.790 175.497 174.600 0.178 0.000 0.996 580 S CA 0.231 58.514 58.200 0.138 0.000 0.942 580 S CB 0.089 63.344 63.200 0.091 0.000 0.768 580 S HN 0.481 nan 8.310 nan 0.000 0.520 581 A N 0.952 123.935 122.820 0.271 0.000 2.340 581 A HA 0.602 5.152 4.320 0.383 0.000 0.297 581 A C -0.095 177.727 177.584 0.397 0.000 1.195 581 A CA -0.641 51.586 52.037 0.317 0.000 0.769 581 A CB 0.388 19.590 19.000 0.336 0.000 1.163 581 A HN 1.003 nan 8.150 nan 0.000 0.472 582 C N 0.575 120.055 119.300 0.300 0.000 3.181 582 C HA 0.434 5.124 4.460 0.383 0.000 0.216 582 C C -2.840 172.289 174.990 0.233 0.000 1.834 582 C CA -1.727 57.444 59.018 0.256 0.000 1.208 582 C CB -0.434 27.495 27.740 0.314 0.000 2.103 582 C HN 0.555 nan 8.230 nan 0.000 0.579 583 P HA 0.233 nan 4.420 nan 0.000 0.262 583 P C -0.530 176.768 177.300 -0.003 0.000 1.182 583 P CA 1.169 64.214 63.100 -0.091 0.000 0.761 583 P CB 0.222 31.843 31.700 -0.133 0.000 0.795 584 F N -0.044 119.821 119.950 -0.142 0.000 2.603 584 F HA 0.791 5.550 4.527 0.386 0.000 0.317 584 F C -0.567 175.133 175.800 -0.167 0.000 1.066 584 F CA -1.254 56.673 58.000 -0.121 0.000 0.941 584 F CB 1.601 40.407 39.000 -0.324 0.000 1.291 584 F HN 0.378 nan 8.300 nan 0.000 0.472 585 S N 0.076 115.856 115.700 0.133 0.000 2.556 585 S HA 0.937 5.637 4.470 0.383 0.000 0.271 585 S C -0.745 173.807 174.600 -0.080 0.000 1.135 585 S CA -0.160 58.051 58.200 0.018 0.000 0.858 585 S CB 1.492 64.787 63.200 0.158 0.000 1.114 585 S HN 1.468 nan 8.310 nan 0.000 0.468 586 G N 0.137 108.843 108.800 -0.157 0.000 3.382 586 G HA2 0.754 4.944 3.960 0.383 0.000 0.183 586 G HA3 0.754 4.944 3.960 0.383 0.000 0.183 586 G C -1.417 173.475 174.900 -0.014 0.000 1.246 586 G CA -0.287 44.648 45.100 -0.275 0.000 0.828 586 G HN 1.125 nan 8.290 nan 0.000 0.728 587 W N -1.773 119.530 121.300 0.004 0.000 3.047 587 W HA 0.798 5.688 4.660 0.382 0.000 0.341 587 W C -1.586 174.928 176.519 -0.009 0.000 1.225 587 W CA -2.141 55.218 57.345 0.023 0.000 1.150 587 W CB 0.482 30.003 29.460 0.101 0.000 1.470 587 W HN 0.433 nan 8.180 nan 0.000 0.578 588 Y N 2.257 122.749 120.300 0.320 0.000 2.304 588 Y HA 0.326 5.106 4.550 0.383 0.000 0.327 588 Y C 0.887 176.846 175.900 0.100 0.000 1.209 588 Y CA -0.798 57.359 58.100 0.095 0.000 1.299 588 Y CB 1.408 39.815 38.460 -0.089 0.000 1.249 588 Y HN 0.360 nan 8.280 nan 0.000 0.519 589 M N 2.448 122.196 119.600 0.247 0.000 2.188 589 M HA 0.289 4.999 4.480 0.383 0.000 0.357 589 M C 1.115 177.416 176.300 0.001 0.000 1.204 589 M CA 0.072 55.449 55.300 0.128 0.000 1.095 589 M CB 1.140 33.793 32.600 0.089 0.000 1.604 589 M HN 0.913 nan 8.290 nan 0.000 0.464 590 G N 1.411 110.173 108.800 -0.064 0.000 2.469 590 G HA2 -0.268 3.922 3.960 0.383 0.000 0.219 590 G HA3 -0.268 3.922 3.960 0.383 0.000 0.219 590 G C 1.183 175.939 174.900 -0.240 0.000 1.150 590 G CA 1.580 46.558 45.100 -0.204 0.000 0.763 590 G HN 0.883 nan 8.290 nan 0.000 0.561 591 T N -0.508 113.949 114.554 -0.161 0.000 2.849 591 T HA -0.099 4.481 4.350 0.383 0.000 0.270 591 T C 1.928 176.473 174.700 -0.259 0.000 1.066 591 T CA 1.686 63.649 62.100 -0.228 0.000 1.130 591 T CB -0.336 68.363 68.868 -0.282 0.000 0.864 591 T HN 0.537 nan 8.240 nan 0.000 0.481 592 E N 0.943 121.007 120.200 -0.227 0.000 2.085 592 E HA -0.057 4.523 4.350 0.383 0.000 0.194 592 E C 2.126 178.437 176.600 -0.482 0.000 0.994 592 E CA 1.447 57.714 56.400 -0.221 0.000 0.801 592 E CB -0.334 29.378 29.700 0.020 0.000 0.743 592 E HN 0.601 nan 8.360 nan 0.000 0.453 593 I N 0.268 120.378 120.570 -0.766 0.000 2.270 593 I HA -0.067 4.333 4.170 0.383 0.000 0.239 593 I C 2.588 178.139 176.117 -0.943 0.000 1.080 593 I CA 1.017 61.584 61.300 -1.220 0.000 1.383 593 I CB -0.468 36.695 38.000 -1.395 0.000 1.097 593 I HN 0.108 nan 8.210 nan 0.000 0.420 594 G N 0.356 108.830 108.800 -0.544 0.000 2.421 594 G HA2 -0.086 4.104 3.960 0.383 0.000 0.217 594 G HA3 -0.086 4.104 3.960 0.383 0.000 0.217 594 G C 1.587 176.425 174.900 -0.104 0.000 1.143 594 G CA 0.780 45.755 45.100 -0.208 0.000 0.784 594 G HN 0.218 nan 8.290 nan 0.000 0.541 595 V N -0.038 119.767 119.914 -0.181 0.000 2.490 595 V HA 0.113 4.463 4.120 0.383 0.000 0.238 595 V C 2.543 178.567 176.094 -0.117 0.000 1.056 595 V CA 1.430 63.654 62.300 -0.127 0.000 1.075 595 V CB -0.267 31.453 31.823 -0.171 0.000 0.746 595 V HN 0.321 nan 8.190 nan 0.000 0.479 596 R N 0.594 120.989 120.500 -0.174 0.000 2.051 596 R HA -0.099 4.471 4.340 0.383 0.000 0.225 596 R C 2.211 178.449 176.300 -0.103 0.000 1.155 596 R CA 1.861 57.881 56.100 -0.133 0.000 0.945 596 R CB -0.317 29.897 30.300 -0.144 0.000 0.840 596 R HN 0.457 nan 8.270 nan 0.000 0.432 597 N N -0.083 118.463 118.700 -0.257 0.000 2.166 597 N HA -0.172 4.798 4.740 0.383 0.000 0.186 597 N C 1.617 177.152 175.510 0.042 0.000 1.019 597 N CA 1.476 54.377 53.050 -0.249 0.000 0.856 597 N CB -0.339 37.579 38.487 -0.948 0.000 0.993 597 N HN 0.444 nan 8.380 nan 0.000 0.426 598 Y N -0.856 119.364 120.300 -0.134 0.000 2.397 598 Y HA 0.040 4.820 4.550 0.383 0.000 0.292 598 Y C 1.834 177.783 175.900 0.081 0.000 1.115 598 Y CA 0.145 58.253 58.100 0.014 0.000 1.208 598 Y CB 0.366 38.809 38.460 -0.029 0.000 1.046 598 Y HN 0.078 nan 8.280 nan 0.000 0.552 599 C N -1.065 118.343 119.300 0.180 0.000 3.188 599 C HA 0.150 4.840 4.460 0.383 0.000 0.315 599 C C 0.202 175.236 174.990 0.074 0.000 1.285 599 C CA -0.698 58.391 59.018 0.119 0.000 1.729 599 C CB -0.555 27.231 27.740 0.078 0.000 2.257 599 C HN 0.232 nan 8.230 nan 0.000 0.645 600 D N 2.114 122.549 120.400 0.057 0.000 2.525 600 D HA -0.029 4.841 4.640 0.383 0.000 0.235 600 D C 1.091 177.428 176.300 0.062 0.000 1.137 600 D CA 0.497 54.521 54.000 0.040 0.000 0.868 600 D CB 0.383 41.202 40.800 0.033 0.000 1.180 600 D HN 0.258 nan 8.370 nan 0.000 0.465 601 N N 0.625 119.351 118.700 0.042 0.000 2.137 601 N HA -0.162 4.808 4.740 0.383 0.000 0.190 601 N C 1.186 176.723 175.510 0.044 0.000 1.017 601 N CA 1.134 54.212 53.050 0.046 0.000 0.859 601 N CB 0.048 38.555 38.487 0.033 0.000 1.002 601 N HN 0.392 nan 8.380 nan 0.000 0.428 602 S N -0.248 115.476 115.700 0.041 0.000 2.634 602 S HA 0.252 4.952 4.470 0.383 0.000 0.221 602 S C 1.022 175.649 174.600 0.045 0.000 0.952 602 S CA -0.343 57.879 58.200 0.038 0.000 0.930 602 S CB 0.617 63.839 63.200 0.038 0.000 0.780 602 S HN 0.053 nan 8.310 nan 0.000 0.498 603 R N 0.272 120.815 120.500 0.071 0.000 2.769 603 R HA 0.407 4.977 4.340 0.383 0.000 0.117 603 R C 0.674 177.026 176.300 0.087 0.000 1.152 603 R CA -0.515 55.653 56.100 0.113 0.000 0.887 603 R CB -1.026 29.393 30.300 0.198 0.000 1.099 603 R HN 0.294 nan 8.270 nan 0.000 0.398 604 Y N 1.582 121.995 120.300 0.187 0.000 2.509 604 Y HA 0.025 4.804 4.550 0.382 0.000 0.293 604 Y C 0.679 176.647 175.900 0.114 0.000 1.133 604 Y CA 1.039 59.244 58.100 0.175 0.000 1.283 604 Y CB -0.190 38.440 38.460 0.284 0.000 1.001 604 Y HN 0.546 nan 8.280 nan 0.000 0.555 605 N N 0.999 119.837 118.700 0.230 0.000 2.714 605 N HA -0.220 4.750 4.740 0.383 0.000 0.253 605 N C 0.501 176.095 175.510 0.139 0.000 1.024 605 N CA 0.387 53.524 53.050 0.146 0.000 0.726 605 N CB -1.025 37.519 38.487 0.094 0.000 0.908 605 N HN 0.627 nan 8.380 nan 0.000 0.542 606 I N -2.952 117.709 120.570 0.152 0.000 3.883 606 I HA 0.063 4.463 4.170 0.383 0.000 0.326 606 I C 1.810 177.999 176.117 0.120 0.000 1.283 606 I CA -0.360 61.005 61.300 0.107 0.000 1.161 606 I CB -0.051 37.975 38.000 0.044 0.000 1.012 606 I HN 0.184 nan 8.210 nan 0.000 0.421 607 L N 1.303 122.620 121.223 0.158 0.000 2.013 607 L HA -0.195 4.375 4.340 0.383 0.000 0.212 607 L C 2.729 179.771 176.870 0.286 0.000 1.073 607 L CA 1.847 56.815 54.840 0.214 0.000 0.753 607 L CB -0.536 41.636 42.059 0.188 0.000 0.890 607 L HN 0.362 nan 8.230 nan 0.000 0.432 608 E N -0.114 120.240 120.200 0.257 0.000 2.070 608 E HA -0.275 4.305 4.350 0.383 0.000 0.197 608 E C 2.027 178.641 176.600 0.024 0.000 1.004 608 E CA 1.671 58.164 56.400 0.156 0.000 0.805 608 E CB -0.133 29.621 29.700 0.089 0.000 0.744 608 E HN 0.589 nan 8.360 nan 0.000 0.451 609 E N 0.301 120.512 120.200 0.019 0.000 2.077 609 E HA -0.157 4.423 4.350 0.383 0.000 0.193 609 E C 2.249 178.804 176.600 -0.075 0.000 0.989 609 E CA 1.170 57.542 56.400 -0.047 0.000 0.800 609 E CB 0.013 29.691 29.700 -0.038 0.000 0.746 609 E HN 0.057 nan 8.360 nan 0.000 0.452 610 V N 1.395 121.320 119.914 0.018 0.000 2.270 610 V HA -0.251 4.099 4.120 0.383 0.000 0.245 610 V C 2.364 178.476 176.094 0.031 0.000 1.043 610 V CA 1.789 64.139 62.300 0.084 0.000 1.014 610 V CB -0.787 31.183 31.823 0.246 0.000 0.645 610 V HN 0.326 nan 8.190 nan 0.000 0.447 611 A N -0.260 122.620 122.820 0.099 0.000 1.917 611 A HA -0.301 4.249 4.320 0.383 0.000 0.219 611 A C 2.286 179.788 177.584 -0.136 0.000 1.182 611 A CA 2.318 54.400 52.037 0.076 0.000 0.633 611 A CB -0.505 18.636 19.000 0.235 0.000 0.819 611 A HN 0.553 nan 8.150 nan 0.000 0.448 612 K N -0.472 119.804 120.400 -0.206 0.000 2.026 612 K HA -0.114 4.436 4.320 0.383 0.000 0.208 612 K C 2.069 178.444 176.600 -0.376 0.000 1.048 612 K CA 1.421 57.543 56.287 -0.274 0.000 0.929 612 K CB -0.109 32.246 32.500 -0.240 0.000 0.713 612 K HN 0.223 nan 8.250 nan 0.000 0.439 613 K N 0.381 120.462 120.400 -0.530 0.000 2.147 613 K HA -0.072 4.478 4.320 0.383 0.000 0.205 613 K C 1.884 177.867 176.600 -1.028 0.000 1.049 613 K CA 1.257 56.947 56.287 -0.995 0.000 0.936 613 K CB -0.038 31.495 32.500 -1.611 0.000 0.722 613 K HN 0.275 nan 8.250 nan 0.000 0.446 614 M N 0.041 119.278 119.600 -0.606 0.000 2.558 614 M HA -0.073 4.637 4.480 0.383 0.000 0.255 614 M C -0.127 176.034 176.300 -0.232 0.000 1.113 614 M CA 0.460 55.553 55.300 -0.345 0.000 1.097 614 M CB -0.023 32.511 32.600 -0.110 0.000 1.426 614 M HN 0.023 nan 8.290 nan 0.000 0.488 615 D N 1.465 121.717 120.400 -0.245 0.000 2.835 615 D HA -0.137 4.733 4.640 0.383 0.000 0.230 615 D C -0.864 175.370 176.300 -0.111 0.000 1.130 615 D CA 0.468 54.363 54.000 -0.175 0.000 0.738 615 D CB -1.139 39.572 40.800 -0.148 0.000 1.090 615 D HN 0.273 nan 8.370 nan 0.000 0.433 616 L N 0.200 121.362 121.223 -0.102 0.000 2.399 616 L HA 0.309 4.879 4.340 0.383 0.000 0.266 616 L C 0.989 177.793 176.870 -0.111 0.000 1.114 616 L CA -0.667 54.149 54.840 -0.041 0.000 0.804 616 L CB 0.621 42.720 42.059 0.066 0.000 1.146 616 L HN -0.034 nan 8.230 nan 0.000 0.451 617 D N 2.354 122.722 120.400 -0.053 0.000 2.348 617 D HA 0.119 4.989 4.640 0.383 0.000 0.259 617 D C 0.388 176.584 176.300 -0.173 0.000 1.296 617 D CA 0.329 54.278 54.000 -0.086 0.000 0.931 617 D CB 0.654 41.449 40.800 -0.008 0.000 1.067 617 D HN 0.352 nan 8.370 nan 0.000 0.503 618 M N 2.781 122.131 119.600 -0.417 0.000 2.493 618 M HA 0.179 4.889 4.480 0.383 0.000 0.244 618 M C 1.515 177.608 176.300 -0.346 0.000 1.182 618 M CA -0.112 54.669 55.300 -0.865 0.000 0.981 618 M CB 0.428 32.298 32.600 -1.217 0.000 1.551 618 M HN 0.237 nan 8.290 nan 0.000 0.476 619 R N 1.388 121.807 120.500 -0.136 0.000 2.153 619 R HA 0.013 4.583 4.340 0.383 0.000 0.218 619 R C -0.065 176.268 176.300 0.054 0.000 1.072 619 R CA 0.844 56.919 56.100 -0.041 0.000 0.990 619 R CB 0.063 30.342 30.300 -0.035 0.000 0.889 619 R HN 0.334 nan 8.270 nan 0.000 0.452 620 K N -0.590 119.885 120.400 0.125 0.000 2.422 620 K HA 0.240 4.790 4.320 0.383 0.000 0.251 620 K C 0.382 177.142 176.600 0.266 0.000 0.933 620 K CA -0.501 55.882 56.287 0.160 0.000 0.798 620 K CB 1.844 34.404 32.500 0.099 0.000 1.238 620 K HN -0.174 nan 8.250 nan 0.000 0.428 621 T N -2.312 112.359 114.554 0.195 0.000 2.915 621 T HA -0.197 4.383 4.350 0.383 0.000 0.269 621 T C 1.733 176.466 174.700 0.054 0.000 1.071 621 T CA 1.555 63.725 62.100 0.117 0.000 1.132 621 T CB -0.423 68.465 68.868 0.033 0.000 0.878 621 T HN 0.605 nan 8.240 nan 0.000 0.479 622 S N 1.919 117.663 115.700 0.074 0.000 2.561 622 S HA -0.012 4.688 4.470 0.383 0.000 0.225 622 S C 2.085 176.724 174.600 0.064 0.000 0.977 622 S CA 0.602 58.830 58.200 0.047 0.000 0.926 622 S CB -0.740 62.484 63.200 0.040 0.000 0.769 622 S HN 0.734 nan 8.310 nan 0.000 0.533 623 S N 2.013 117.784 115.700 0.118 0.000 2.555 623 S HA 0.140 4.840 4.470 0.383 0.000 0.230 623 S C 1.004 175.675 174.600 0.119 0.000 0.978 623 S CA 0.314 58.594 58.200 0.134 0.000 0.934 623 S CB -1.104 62.213 63.200 0.196 0.000 0.766 623 S HN 0.672 nan 8.310 nan 0.000 0.533 624 L N 0.567 121.823 121.223 0.054 0.000 3.737 624 L HA -0.194 4.376 4.340 0.383 0.000 0.418 624 L C 1.707 178.576 176.870 -0.002 0.000 1.216 624 L CA 0.733 55.553 54.840 -0.033 0.000 0.915 624 L CB -2.664 39.387 42.059 -0.013 0.000 1.834 624 L HN 0.732 nan 8.230 nan 0.000 0.943 625 W N 0.253 121.567 121.300 0.023 0.000 2.338 625 W HA -0.176 4.714 4.660 0.383 0.000 0.304 625 W C 1.769 178.310 176.519 0.036 0.000 1.212 625 W CA 1.433 58.794 57.345 0.026 0.000 1.264 625 W CB -0.748 28.719 29.460 0.011 0.000 1.142 625 W HN 0.271 nan 8.180 nan 0.000 0.512 626 K N 1.015 120.947 120.400 -0.780 0.000 2.063 626 K HA -0.187 4.363 4.320 0.383 0.000 0.208 626 K C 1.523 177.991 176.600 -0.220 0.000 1.048 626 K CA 2.485 58.365 56.287 -0.677 0.000 0.928 626 K CB -0.384 31.567 32.500 -0.915 0.000 0.713 626 K HN 0.092 nan 8.250 nan 0.000 0.442 627 D N 0.408 120.702 120.400 -0.176 0.000 2.144 627 D HA -0.119 4.751 4.640 0.383 0.000 0.200 627 D C 1.990 178.302 176.300 0.020 0.000 0.978 627 D CA 0.892 54.852 54.000 -0.068 0.000 0.833 627 D CB 0.055 40.818 40.800 -0.061 0.000 0.961 627 D HN 0.202 nan 8.370 nan 0.000 0.470 628 Q N 0.317 120.155 119.800 0.065 0.000 2.046 628 Q HA -0.085 4.485 4.340 0.383 0.000 0.200 628 Q C 2.343 178.447 176.000 0.174 0.000 0.975 628 Q CA 1.324 57.205 55.803 0.129 0.000 0.836 628 Q CB -0.207 28.625 28.738 0.157 0.000 0.896 628 Q HN 0.300 nan 8.270 nan 0.000 0.428 629 A N 0.957 123.896 122.820 0.198 0.000 1.933 629 A HA -0.185 4.365 4.320 0.383 0.000 0.218 629 A C 2.063 179.775 177.584 0.213 0.000 1.175 629 A CA 1.111 53.296 52.037 0.247 0.000 0.628 629 A CB -0.611 18.559 19.000 0.285 0.000 0.814 629 A HN 0.328 nan 8.150 nan 0.000 0.444 630 L N -0.049 121.251 121.223 0.128 0.000 2.012 630 L HA -0.139 4.431 4.340 0.383 0.000 0.210 630 L C 2.432 179.366 176.870 0.107 0.000 1.073 630 L CA 2.041 56.937 54.840 0.093 0.000 0.748 630 L CB -0.548 41.520 42.059 0.016 0.000 0.891 630 L HN 0.167 nan 8.230 nan 0.000 0.431 631 V N -0.116 119.862 119.914 0.107 0.000 2.332 631 V HA -0.251 4.099 4.120 0.383 0.000 0.248 631 V C 2.638 178.820 176.094 0.148 0.000 1.055 631 V CA 1.863 64.230 62.300 0.112 0.000 1.038 631 V CB -0.743 31.145 31.823 0.108 0.000 0.651 631 V HN 0.478 nan 8.190 nan 0.000 0.450 632 E N -0.050 120.280 120.200 0.216 0.000 2.072 632 E HA -0.148 4.432 4.350 0.383 0.000 0.191 632 E C 2.166 178.913 176.600 0.245 0.000 0.985 632 E CA 1.266 57.844 56.400 0.298 0.000 0.801 632 E CB -0.319 29.623 29.700 0.404 0.000 0.750 632 E HN 0.582 nan 8.360 nan 0.000 0.452 633 I N 1.827 122.566 120.570 0.282 0.000 2.163 633 I HA -0.280 4.120 4.170 0.383 0.000 0.243 633 I C 2.126 178.343 176.117 0.167 0.000 1.085 633 I CA 0.996 62.487 61.300 0.319 0.000 1.347 633 I CB -0.329 37.893 38.000 0.371 0.000 1.044 633 I HN 0.070 nan 8.210 nan 0.000 0.408 634 N N 0.767 119.532 118.700 0.109 0.000 2.244 634 N HA -0.100 4.870 4.740 0.383 0.000 0.183 634 N C 1.997 177.515 175.510 0.013 0.000 1.016 634 N CA 1.256 54.330 53.050 0.039 0.000 0.866 634 N CB -0.042 38.457 38.487 0.020 0.000 0.980 634 N HN 0.370 nan 8.380 nan 0.000 0.430 635 I N 1.353 121.923 120.570 -0.000 0.000 2.226 635 I HA -0.241 4.159 4.170 0.383 0.000 0.245 635 I C 2.420 178.430 176.117 -0.179 0.000 1.100 635 I CA 0.858 62.099 61.300 -0.099 0.000 1.374 635 I CB -0.178 37.720 38.000 -0.170 0.000 1.057 635 I HN 0.067 nan 8.210 nan 0.000 0.413 636 A N 0.140 122.827 122.820 -0.222 0.000 1.898 636 A HA -0.132 4.418 4.320 0.383 0.000 0.216 636 A C 2.408 179.987 177.584 -0.008 0.000 1.181 636 A CA 1.464 53.341 52.037 -0.266 0.000 0.620 636 A CB -0.900 17.691 19.000 -0.681 0.000 0.819 636 A HN 0.224 nan 8.150 nan 0.000 0.442 637 V N 0.195 120.133 119.914 0.041 0.000 2.255 637 V HA -0.300 4.050 4.120 0.383 0.000 0.247 637 V C 2.596 178.729 176.094 0.065 0.000 1.051 637 V CA 2.198 64.540 62.300 0.071 0.000 1.018 637 V CB -0.799 30.976 31.823 -0.080 0.000 0.641 637 V HN 0.578 nan 8.190 nan 0.000 0.445 638 L N -1.497 119.729 121.223 0.006 0.000 2.056 638 L HA -0.197 4.373 4.340 0.383 0.000 0.207 638 L C 2.497 179.418 176.870 0.085 0.000 1.078 638 L CA 1.975 56.828 54.840 0.021 0.000 0.749 638 L CB -0.730 41.332 42.059 0.006 0.000 0.901 638 L HN 0.422 nan 8.230 nan 0.000 0.433 639 Y N 0.510 120.775 120.300 -0.058 0.000 2.165 639 Y HA -0.279 4.501 4.550 0.384 0.000 0.286 639 Y C 2.720 178.616 175.900 -0.007 0.000 1.155 639 Y CA 1.774 59.828 58.100 -0.077 0.000 1.164 639 Y CB -0.249 38.093 38.460 -0.197 0.000 0.978 639 Y HN 0.063 nan 8.280 nan 0.000 0.513 640 S N 0.044 115.717 115.700 -0.046 0.000 2.355 640 S HA -0.138 4.562 4.470 0.383 0.000 0.222 640 S C 1.764 176.333 174.600 -0.052 0.000 1.031 640 S CA 1.365 59.518 58.200 -0.080 0.000 0.993 640 S CB -0.698 62.575 63.200 0.121 0.000 0.859 640 S HN 0.435 nan 8.310 nan 0.000 0.453 641 F N 2.112 122.006 119.950 -0.093 0.000 2.102 641 F HA -0.133 4.623 4.527 0.382 0.000 0.298 641 F C 2.678 178.419 175.800 -0.099 0.000 1.105 641 F CA 1.268 59.232 58.000 -0.059 0.000 1.239 641 F CB -0.765 38.228 39.000 -0.011 0.000 0.991 641 F HN 0.214 nan 8.300 nan 0.000 0.474 642 Q N -0.610 119.227 119.800 0.061 0.000 2.096 642 Q HA -0.179 4.391 4.340 0.383 0.000 0.204 642 Q C 2.332 178.248 176.000 -0.139 0.000 0.982 642 Q CA 1.948 57.726 55.803 -0.042 0.000 0.850 642 Q CB -0.447 28.267 28.738 -0.040 0.000 0.901 642 Q HN 0.274 nan 8.270 nan 0.000 0.422 643 S N 0.949 116.480 115.700 -0.282 0.000 2.402 643 S HA -0.108 4.592 4.470 0.383 0.000 0.229 643 S C 0.928 175.412 174.600 -0.193 0.000 1.021 643 S CA 1.144 59.158 58.200 -0.309 0.000 0.974 643 S CB -0.053 62.820 63.200 -0.545 0.000 0.800 643 S HN 0.318 nan 8.310 nan 0.000 0.484 644 D N 0.365 120.657 120.400 -0.180 0.000 2.339 644 D HA 0.165 5.035 4.640 0.383 0.000 0.217 644 D C 0.240 176.471 176.300 -0.116 0.000 1.050 644 D CA 0.183 54.094 54.000 -0.148 0.000 0.856 644 D CB -0.037 40.650 40.800 -0.189 0.000 0.922 644 D HN 0.037 nan 8.370 nan 0.000 0.518 645 K N -0.291 120.052 120.400 -0.095 0.000 3.150 645 K HA -0.136 4.414 4.320 0.383 0.000 0.267 645 K C -1.179 175.389 176.600 -0.053 0.000 1.028 645 K CA 0.147 56.394 56.287 -0.067 0.000 0.753 645 K CB -1.512 30.950 32.500 -0.064 0.000 1.288 645 K HN -0.013 nan 8.250 nan 0.000 0.473 646 V N 1.410 121.304 119.914 -0.034 0.000 2.370 646 V HA 0.243 4.593 4.120 0.383 0.000 0.283 646 V C 0.660 176.842 176.094 0.146 0.000 1.023 646 V CA -0.713 61.600 62.300 0.022 0.000 0.857 646 V CB 1.841 33.594 31.823 -0.118 0.000 0.985 646 V HN 0.336 nan 8.190 nan 0.000 0.443 647 T N 6.641 121.237 114.554 0.070 0.000 2.905 647 T HA 0.305 4.885 4.350 0.383 0.000 0.299 647 T C -0.242 174.531 174.700 0.123 0.000 1.024 647 T CA 1.027 63.097 62.100 -0.050 0.000 1.151 647 T CB -0.062 68.619 68.868 -0.312 0.000 0.987 647 T HN 0.562 nan 8.240 nan 0.000 0.535 648 I N 2.790 123.383 120.570 0.039 0.000 2.918 648 I HA 0.634 5.034 4.170 0.383 0.000 0.301 648 I C -1.383 174.775 176.117 0.069 0.000 1.312 648 I CA -0.982 60.378 61.300 0.100 0.000 1.007 648 I CB 1.961 39.952 38.000 -0.014 0.000 1.281 648 I HN 0.424 nan 8.210 nan 0.000 0.440 649 V N 5.371 125.386 119.914 0.169 0.000 2.604 649 V HA 0.494 4.844 4.120 0.383 0.000 0.305 649 V C -1.044 175.105 176.094 0.092 0.000 1.043 649 V CA -0.279 62.111 62.300 0.149 0.000 0.888 649 V CB 2.143 34.135 31.823 0.283 0.000 0.995 649 V HN 0.880 nan 8.190 nan 0.000 0.429 650 D N 3.864 124.294 120.400 0.051 0.000 2.354 650 D HA 0.178 5.048 4.640 0.383 0.000 0.247 650 D C 1.230 177.513 176.300 -0.028 0.000 1.138 650 D CA 0.093 54.099 54.000 0.010 0.000 0.958 650 D CB 0.486 41.265 40.800 -0.035 0.000 1.144 650 D HN 0.734 nan 8.370 nan 0.000 0.458 651 H N 0.031 119.024 119.070 -0.129 0.000 2.491 651 H HA -0.123 4.663 4.556 0.383 0.000 0.290 651 H C 0.875 176.090 175.328 -0.188 0.000 1.050 651 H CA 1.173 57.111 56.048 -0.183 0.000 1.309 651 H CB -0.498 29.106 29.762 -0.264 0.000 1.392 651 H HN 0.526 nan 8.280 nan 0.000 0.554 652 H N 0.774 119.657 119.070 -0.313 0.000 2.333 652 H HA -0.065 4.721 4.556 0.384 0.000 0.302 652 H C 2.485 177.796 175.328 -0.028 0.000 1.075 652 H CA 1.411 57.370 56.048 -0.148 0.000 1.348 652 H CB -0.149 29.497 29.762 -0.195 0.000 1.393 652 H HN 0.422 nan 8.280 nan 0.000 0.509 653 S N 0.815 116.569 115.700 0.090 0.000 2.356 653 S HA -0.115 4.585 4.470 0.383 0.000 0.223 653 S C 2.453 177.123 174.600 0.118 0.000 1.032 653 S CA 1.217 59.473 58.200 0.093 0.000 1.005 653 S CB -0.319 62.926 63.200 0.075 0.000 0.867 653 S HN 0.439 nan 8.310 nan 0.000 0.449 654 A N 1.037 123.927 122.820 0.117 0.000 1.902 654 A HA -0.081 4.469 4.320 0.383 0.000 0.217 654 A C 2.540 180.225 177.584 0.169 0.000 1.181 654 A CA 2.506 54.633 52.037 0.150 0.000 0.623 654 A CB -1.704 17.375 19.000 0.131 0.000 0.818 654 A HN 0.823 nan 8.150 nan 0.000 0.443 655 T N -2.403 112.235 114.554 0.140 0.000 2.857 655 T HA -0.098 4.482 4.350 0.383 0.000 0.266 655 T C 1.756 176.589 174.700 0.222 0.000 1.048 655 T CA 1.307 63.513 62.100 0.178 0.000 1.139 655 T CB -0.332 68.606 68.868 0.117 0.000 0.874 655 T HN 0.590 nan 8.240 nan 0.000 0.455 656 E N 1.240 121.543 120.200 0.172 0.000 2.058 656 E HA -0.172 4.408 4.350 0.383 0.000 0.194 656 E C 2.337 179.031 176.600 0.156 0.000 0.997 656 E CA 1.509 57.999 56.400 0.150 0.000 0.801 656 E CB -0.264 29.506 29.700 0.116 0.000 0.746 656 E HN 0.541 nan 8.360 nan 0.000 0.450 657 S N 0.084 115.885 115.700 0.169 0.000 2.382 657 S HA -0.151 4.549 4.470 0.383 0.000 0.228 657 S C 1.497 176.225 174.600 0.213 0.000 1.027 657 S CA 1.095 59.396 58.200 0.168 0.000 0.991 657 S CB -0.426 62.874 63.200 0.168 0.000 0.823 657 S HN 0.374 nan 8.310 nan 0.000 0.469 658 F N 2.352 122.376 119.950 0.123 0.000 2.134 658 F HA -0.083 4.674 4.527 0.383 0.000 0.299 658 F C 1.837 177.738 175.800 0.168 0.000 1.097 658 F CA 1.015 59.109 58.000 0.157 0.000 1.264 658 F CB -0.236 38.839 39.000 0.124 0.000 1.001 658 F HN 0.089 nan 8.300 nan 0.000 0.479 659 I N 0.738 121.392 120.570 0.141 0.000 2.226 659 I HA -0.290 4.110 4.170 0.383 0.000 0.245 659 I C 2.445 178.543 176.117 -0.032 0.000 1.100 659 I CA 1.421 62.742 61.300 0.034 0.000 1.374 659 I CB -1.348 36.724 38.000 0.119 0.000 1.057 659 I HN 0.231 nan 8.210 nan 0.000 0.413 660 K N 0.180 120.596 120.400 0.026 0.000 2.026 660 K HA -0.271 4.279 4.320 0.383 0.000 0.208 660 K C 2.328 178.931 176.600 0.005 0.000 1.048 660 K CA 1.737 58.038 56.287 0.024 0.000 0.929 660 K CB -0.261 32.273 32.500 0.056 0.000 0.713 660 K HN 0.286 nan 8.250 nan 0.000 0.439 661 H N 0.714 119.720 119.070 -0.107 0.000 2.319 661 H HA -0.109 4.677 4.556 0.384 0.000 0.299 661 H C 2.127 177.330 175.328 -0.208 0.000 1.092 661 H CA 2.368 58.332 56.048 -0.140 0.000 1.302 661 H CB -0.203 29.462 29.762 -0.161 0.000 1.373 661 H HN 0.153 nan 8.280 nan 0.000 0.497 662 M N 0.143 119.451 119.600 -0.486 0.000 2.080 662 M HA -0.200 4.510 4.480 0.383 0.000 0.260 662 M C 1.980 178.225 176.300 -0.092 0.000 1.068 662 M CA 2.240 57.293 55.300 -0.411 0.000 1.109 662 M CB -0.059 32.300 32.600 -0.400 0.000 1.342 662 M HN 0.462 nan 8.290 nan 0.000 0.405 663 E N -0.074 120.080 120.200 -0.076 0.000 2.110 663 E HA -0.205 4.375 4.350 0.383 0.000 0.193 663 E C 1.663 178.262 176.600 -0.003 0.000 0.988 663 E CA 1.253 57.646 56.400 -0.011 0.000 0.804 663 E CB -0.266 29.415 29.700 -0.031 0.000 0.745 663 E HN 0.564 nan 8.360 nan 0.000 0.458 664 N N 1.048 119.712 118.700 -0.060 0.000 2.043 664 N HA -0.170 4.800 4.740 0.383 0.000 0.193 664 N C 1.685 177.146 175.510 -0.083 0.000 1.037 664 N CA 1.038 54.057 53.050 -0.051 0.000 0.851 664 N CB -0.226 38.244 38.487 -0.029 0.000 1.027 664 N HN 0.186 nan 8.380 nan 0.000 0.422 665 E N 0.201 120.273 120.200 -0.213 0.000 2.077 665 E HA -0.145 4.436 4.350 0.383 0.000 0.193 665 E C 2.028 178.509 176.600 -0.199 0.000 0.989 665 E CA 0.781 57.023 56.400 -0.263 0.000 0.800 665 E CB -0.493 28.924 29.700 -0.472 0.000 0.746 665 E HN 0.501 nan 8.360 nan 0.000 0.452 666 Y N 1.094 121.314 120.300 -0.134 0.000 2.165 666 Y HA -0.201 4.579 4.550 0.383 0.000 0.286 666 Y C 2.757 178.623 175.900 -0.056 0.000 1.155 666 Y CA 1.896 59.954 58.100 -0.070 0.000 1.164 666 Y CB -0.190 38.235 38.460 -0.058 0.000 0.978 666 Y HN -0.009 nan 8.280 nan 0.000 0.513 667 R N -0.072 120.479 120.500 0.084 0.000 2.066 667 R HA -0.162 4.408 4.340 0.383 0.000 0.232 667 R C 2.373 178.674 176.300 0.000 0.000 1.131 667 R CA 1.922 58.043 56.100 0.035 0.000 0.955 667 R CB -0.762 29.550 30.300 0.020 0.000 0.851 667 R HN 0.559 nan 8.270 nan 0.000 0.432 668 C N -1.342 117.949 119.300 -0.015 0.000 2.551 668 C HA 0.347 5.037 4.460 0.383 0.000 0.277 668 C C 2.344 177.315 174.990 -0.033 0.000 1.349 668 C CA -0.076 58.933 59.018 -0.015 0.000 1.750 668 C CB -0.345 27.398 27.740 0.006 0.000 2.058 668 C HN 0.485 nan 8.230 nan 0.000 0.518 669 R N 0.028 120.486 120.500 -0.070 0.000 2.419 669 R HA 0.310 4.880 4.340 0.383 0.000 0.235 669 R C 1.575 177.808 176.300 -0.111 0.000 0.899 669 R CA 0.881 56.926 56.100 -0.091 0.000 1.048 669 R CB 0.410 30.631 30.300 -0.131 0.000 1.182 669 R HN 0.665 nan 8.270 nan 0.000 0.544 670 G N -0.085 108.641 108.800 -0.123 0.000 2.141 670 G HA2 -0.173 4.017 3.960 0.383 0.000 0.242 670 G HA3 -0.173 4.017 3.960 0.383 0.000 0.242 670 G C 0.134 174.871 174.900 -0.271 0.000 0.982 670 G CA 0.072 45.103 45.100 -0.114 0.000 0.662 670 G HN 0.789 nan 8.290 nan 0.000 0.527 671 G N -2.374 106.086 108.800 -0.567 0.000 2.320 671 G HA2 0.541 4.731 3.960 0.383 0.000 0.297 671 G HA3 0.541 4.731 3.960 0.383 0.000 0.297 671 G C -0.897 173.590 174.900 -0.689 0.000 1.344 671 G CA 0.434 44.923 45.100 -1.018 0.000 0.851 671 G HN 1.894 nan 8.290 nan 0.000 0.567 672 C N 2.136 121.128 119.300 -0.512 0.000 2.982 672 C HA 0.655 5.345 4.460 0.383 0.000 0.372 672 C C -2.564 172.330 174.990 -0.161 0.000 1.061 672 C CA -1.135 57.723 59.018 -0.266 0.000 1.309 672 C CB 0.818 28.409 27.740 -0.248 0.000 1.766 672 C HN 0.704 nan 8.230 nan 0.000 0.504 673 P HA 0.404 nan 4.420 nan 0.000 0.267 673 P C -0.567 176.641 177.300 -0.153 0.000 1.205 673 P CA 0.656 63.386 63.100 -0.617 0.000 0.765 673 P CB 1.059 32.187 31.700 -0.954 0.000 0.828 674 A N 2.370 125.176 122.820 -0.024 0.000 2.488 674 A HA 0.443 4.993 4.320 0.383 0.000 0.298 674 A C -1.258 176.396 177.584 0.116 0.000 1.044 674 A CA -0.531 51.582 52.037 0.128 0.000 0.693 674 A CB 1.374 20.582 19.000 0.347 0.000 1.272 674 A HN 0.449 nan 8.150 nan 0.000 0.402 675 D N 1.786 122.242 120.400 0.094 0.000 2.454 675 D HA 0.168 5.038 4.640 0.383 0.000 0.225 675 D C 0.694 177.134 176.300 0.232 0.000 1.081 675 D CA -0.518 53.565 54.000 0.138 0.000 0.864 675 D CB 0.456 41.280 40.800 0.039 0.000 1.040 675 D HN 0.601 nan 8.370 nan 0.000 0.517 676 W N 4.068 125.407 121.300 0.064 0.000 2.342 676 W HA -0.229 4.662 4.660 0.384 0.000 0.297 676 W C 1.512 178.061 176.519 0.050 0.000 1.213 676 W CA 1.032 58.401 57.345 0.040 0.000 1.251 676 W CB 0.130 29.591 29.460 0.002 0.000 1.136 676 W HN 0.295 nan 8.180 nan 0.000 0.526 677 V N -0.256 119.974 119.914 0.526 0.000 2.469 677 V HA -0.314 4.036 4.120 0.383 0.000 0.251 677 V C 1.523 177.722 176.094 0.175 0.000 1.064 677 V CA 2.107 64.653 62.300 0.410 0.000 1.066 677 V CB -0.902 31.160 31.823 0.398 0.000 0.667 677 V HN 0.311 nan 8.190 nan 0.000 0.461 678 W N -1.462 119.823 121.300 -0.025 0.000 2.704 678 W HA 0.232 5.121 4.660 0.382 0.000 0.266 678 W C 2.172 178.587 176.519 -0.173 0.000 1.266 678 W CA -0.052 57.242 57.345 -0.084 0.000 1.377 678 W CB -0.120 29.307 29.460 -0.056 0.000 1.082 678 W HN 0.078 nan 8.180 nan 0.000 0.608 679 I N -0.100 120.452 120.570 -0.031 0.000 2.353 679 I HA -0.079 4.321 4.170 0.383 0.000 0.248 679 I C 0.640 176.561 176.117 -0.327 0.000 1.119 679 I CA 0.804 61.957 61.300 -0.244 0.000 1.417 679 I CB -1.481 36.302 38.000 -0.362 0.000 1.078 679 I HN -0.409 nan 8.210 nan 0.000 0.421 680 V N 4.129 123.751 119.914 -0.486 0.000 2.485 680 V HA 0.060 4.410 4.120 0.383 0.000 0.287 680 V C -1.857 174.048 176.094 -0.316 0.000 1.022 680 V CA -0.983 61.001 62.300 -0.527 0.000 1.067 680 V CB 0.014 31.231 31.823 -1.010 0.000 0.967 680 V HN 0.126 nan 8.190 nan 0.000 0.479 681 P HA 0.112 nan 4.420 nan 0.000 0.268 681 P C -1.915 175.251 177.300 -0.224 0.000 1.208 681 P CA -1.057 61.916 63.100 -0.211 0.000 0.777 681 P CB 0.027 31.608 31.700 -0.199 0.000 0.875 682 P HA 0.038 nan 4.420 nan 0.000 0.249 682 P C -0.090 177.092 177.300 -0.197 0.000 1.241 682 P CA 0.962 63.939 63.100 -0.205 0.000 0.781 682 P CB 0.004 31.579 31.700 -0.208 0.000 1.088 683 M N -4.737 114.709 119.600 -0.257 0.000 2.593 683 M HA 0.535 5.245 4.480 0.383 0.000 0.290 683 M C -0.288 175.891 176.300 -0.203 0.000 1.244 683 M CA -0.672 54.494 55.300 -0.224 0.000 0.857 683 M CB 1.932 34.382 32.600 -0.252 0.000 1.738 683 M HN -0.373 nan 8.290 nan 0.000 0.461 684 S N 0.503 116.140 115.700 -0.104 0.000 3.581 684 S HA -0.179 4.521 4.470 0.383 0.000 0.354 684 S C 1.107 175.679 174.600 -0.047 0.000 1.059 684 S CA 0.836 59.016 58.200 -0.033 0.000 1.060 684 S CB -1.907 61.347 63.200 0.090 0.000 0.908 684 S HN 1.192 nan 8.310 nan 0.000 0.475 685 G N 2.200 110.945 108.800 -0.090 0.000 2.553 685 G HA2 -0.324 3.866 3.960 0.383 0.000 0.218 685 G HA3 -0.324 3.866 3.960 0.383 0.000 0.218 685 G C 1.482 176.281 174.900 -0.168 0.000 1.195 685 G CA 1.561 46.627 45.100 -0.057 0.000 0.779 685 G HN 1.240 nan 8.290 nan 0.000 0.577 686 S N 0.682 116.025 115.700 -0.595 0.000 2.515 686 S HA 0.024 4.724 4.470 0.383 0.000 0.231 686 S C 2.146 176.676 174.600 -0.117 0.000 0.987 686 S CA 0.952 58.629 58.200 -0.872 0.000 0.936 686 S CB -0.369 62.112 63.200 -1.197 0.000 0.766 686 S HN 0.771 nan 8.310 nan 0.000 0.528 687 I N 0.901 121.461 120.570 -0.017 0.000 3.812 687 I HA 0.251 4.651 4.170 0.383 0.000 0.320 687 I C 0.418 176.654 176.117 0.197 0.000 1.276 687 I CA -0.231 61.136 61.300 0.112 0.000 1.164 687 I CB -0.540 37.523 38.000 0.106 0.000 1.009 687 I HN 0.224 nan 8.210 nan 0.000 0.431 688 T N -1.732 112.934 114.554 0.187 0.000 2.895 688 T HA 0.477 5.057 4.350 0.383 0.000 0.283 688 T C -1.654 173.196 174.700 0.250 0.000 1.014 688 T CA -1.915 60.310 62.100 0.208 0.000 1.037 688 T CB 1.665 70.615 68.868 0.136 0.000 1.006 688 T HN -0.082 nan 8.240 nan 0.000 0.468 689 P HA -0.019 nan 4.420 nan 0.000 0.226 689 P C 1.719 179.196 177.300 0.295 0.000 1.153 689 P CA 0.578 63.840 63.100 0.271 0.000 0.777 689 P CB -0.308 31.512 31.700 0.200 0.000 0.794 690 V N -4.184 115.866 119.914 0.227 0.000 2.667 690 V HA -0.147 4.203 4.120 0.383 0.000 0.252 690 V C 2.301 178.478 176.094 0.139 0.000 1.065 690 V CA 0.912 63.314 62.300 0.171 0.000 1.083 690 V CB -2.127 29.718 31.823 0.037 0.000 0.692 690 V HN -0.118 nan 8.190 nan 0.000 0.468 691 F N 2.271 122.216 119.950 -0.008 0.000 2.126 691 F HA -0.155 4.602 4.527 0.383 0.000 0.299 691 F C 2.185 178.121 175.800 0.226 0.000 1.096 691 F CA 2.390 60.388 58.000 -0.004 0.000 1.255 691 F CB -0.216 38.675 39.000 -0.181 0.000 0.997 691 F HN 0.296 nan 8.300 nan 0.000 0.479 692 H N -1.710 117.690 119.070 0.550 0.000 2.539 692 H HA 0.143 4.930 4.556 0.383 0.000 0.269 692 H C 0.201 175.783 175.328 0.424 0.000 0.980 692 H CA 0.030 56.367 56.048 0.480 0.000 1.152 692 H CB -0.087 29.942 29.762 0.445 0.000 1.407 692 H HN 0.109 nan 8.280 nan 0.000 0.564 693 Q N 2.126 122.204 119.800 0.464 0.000 2.349 693 Q HA 0.111 4.681 4.340 0.383 0.000 0.254 693 Q C -0.629 175.609 176.000 0.395 0.000 0.980 693 Q CA -0.326 55.697 55.803 0.366 0.000 0.924 693 Q CB 0.389 29.314 28.738 0.311 0.000 1.209 693 Q HN 0.354 nan 8.270 nan 0.000 0.445 694 E N 3.532 123.915 120.200 0.305 0.000 2.413 694 E HA 0.131 4.711 4.350 0.383 0.000 0.263 694 E C -0.464 176.279 176.600 0.238 0.000 1.015 694 E CA 0.523 57.062 56.400 0.232 0.000 0.916 694 E CB 0.671 30.485 29.700 0.191 0.000 0.947 694 E HN 0.600 nan 8.360 nan 0.000 0.440 695 M N 2.434 122.182 119.600 0.246 0.000 2.550 695 M HA 0.404 5.114 4.480 0.383 0.000 0.292 695 M C -1.071 175.360 176.300 0.218 0.000 1.221 695 M CA -0.689 54.775 55.300 0.274 0.000 0.873 695 M CB 1.778 34.584 32.600 0.344 0.000 1.727 695 M HN 0.238 nan 8.290 nan 0.000 0.459 696 L N 1.696 123.066 121.223 0.245 0.000 2.313 696 L HA 0.507 5.077 4.340 0.383 0.000 0.283 696 L C -0.482 176.508 176.870 0.201 0.000 1.013 696 L CA -0.429 54.559 54.840 0.246 0.000 0.816 696 L CB 1.597 43.863 42.059 0.345 0.000 1.236 696 L HN 0.696 nan 8.230 nan 0.000 0.419 697 N N 3.021 121.823 118.700 0.170 0.000 2.408 697 N HA 0.533 5.503 4.740 0.383 0.000 0.280 697 N C -1.687 173.929 175.510 0.176 0.000 1.002 697 N CA -0.376 52.712 53.050 0.063 0.000 0.907 697 N CB 1.264 39.787 38.487 0.059 0.000 1.161 697 N HN 0.497 nan 8.380 nan 0.000 0.488 698 Y N 0.254 120.581 120.300 0.046 0.000 2.656 698 Y HA 0.499 5.280 4.550 0.384 0.000 0.334 698 Y C -1.344 174.573 175.900 0.028 0.000 1.179 698 Y CA -1.365 56.759 58.100 0.040 0.000 1.050 698 Y CB 0.786 39.283 38.460 0.063 0.000 1.308 698 Y HN 0.165 nan 8.280 nan 0.000 0.456 699 R N 2.503 123.125 120.500 0.204 0.000 2.265 699 R HA 0.589 5.159 4.340 0.383 0.000 0.328 699 R C -1.387 174.994 176.300 0.136 0.000 0.969 699 R CA -0.613 55.545 56.100 0.096 0.000 0.832 699 R CB 1.469 31.810 30.300 0.069 0.000 1.139 699 R HN 0.735 nan 8.270 nan 0.000 0.457 700 L N 1.852 123.124 121.223 0.082 0.000 2.334 700 L HA 0.517 5.087 4.340 0.383 0.000 0.273 700 L C 0.727 177.621 176.870 0.039 0.000 1.013 700 L CA -0.880 54.011 54.840 0.085 0.000 0.816 700 L CB 2.076 44.182 42.059 0.079 0.000 1.278 700 L HN 0.618 nan 8.230 nan 0.000 0.431 701 T N -0.984 113.603 114.554 0.054 0.000 2.945 701 T HA 0.566 5.146 4.350 0.383 0.000 0.286 701 T C -2.610 172.144 174.700 0.091 0.000 1.025 701 T CA -2.246 59.880 62.100 0.043 0.000 1.039 701 T CB 1.553 70.452 68.868 0.051 0.000 1.068 701 T HN 0.201 nan 8.240 nan 0.000 0.497 702 P HA 0.249 nan 4.420 nan 0.000 0.267 702 P C -0.568 176.656 177.300 -0.127 0.000 1.201 702 P CA -0.102 62.976 63.100 -0.038 0.000 0.775 702 P CB 0.409 32.078 31.700 -0.051 0.000 0.854 703 S N 0.345 115.920 115.700 -0.207 0.000 2.579 703 S HA 0.646 5.346 4.470 0.383 0.000 0.272 703 S C -1.186 173.207 174.600 -0.345 0.000 1.141 703 S CA -0.840 57.230 58.200 -0.217 0.000 0.843 703 S CB 0.780 63.938 63.200 -0.070 0.000 1.122 703 S HN 0.121 nan 8.310 nan 0.000 0.468 704 F N 1.350 121.284 119.950 -0.028 0.000 2.408 704 F HA 0.574 5.331 4.527 0.383 0.000 0.344 704 F C 0.886 176.702 175.800 0.026 0.000 1.112 704 F CA -0.279 57.720 58.000 -0.002 0.000 1.096 704 F CB 1.160 40.136 39.000 -0.040 0.000 1.129 704 F HN 0.466 nan 8.300 nan 0.000 0.486 705 E N 2.192 122.526 120.200 0.224 0.000 2.256 705 E HA 0.177 4.757 4.350 0.383 0.000 0.267 705 E C -1.455 175.249 176.600 0.172 0.000 0.892 705 E CA -0.975 55.515 56.400 0.151 0.000 0.775 705 E CB 2.469 32.219 29.700 0.084 0.000 1.207 705 E HN 0.490 nan 8.360 nan 0.000 0.420 706 Y N 2.202 122.518 120.300 0.027 0.000 2.336 706 Y HA 0.064 4.846 4.550 0.385 0.000 0.331 706 Y C 0.423 176.315 175.900 -0.013 0.000 1.211 706 Y CA 0.330 58.433 58.100 0.005 0.000 1.346 706 Y CB 0.740 39.191 38.460 -0.015 0.000 1.271 706 Y HN 0.363 nan 8.280 nan 0.000 0.538 707 Q N 5.374 124.929 119.800 -0.408 0.000 2.456 707 Q HA 0.625 5.195 4.340 0.383 0.000 0.283 707 Q C -3.106 172.654 176.000 -0.399 0.000 1.084 707 Q CA -2.594 53.042 55.803 -0.277 0.000 0.801 707 Q CB 2.586 31.201 28.738 -0.205 0.000 1.434 707 Q HN 0.294 nan 8.270 nan 0.000 0.419 708 P HA 0.061 nan 4.420 nan 0.000 0.272 708 P C -0.853 176.153 177.300 -0.490 0.000 1.223 708 P CA -0.104 62.814 63.100 -0.302 0.000 0.784 708 P CB 0.381 31.949 31.700 -0.220 0.000 0.923 709 D N 3.178 123.191 120.400 -0.645 0.000 2.488 709 D HA -0.012 4.858 4.640 0.383 0.000 0.238 709 D C -1.109 174.519 176.300 -1.120 0.000 1.138 709 D CA -0.926 52.404 54.000 -1.117 0.000 0.873 709 D CB 0.176 39.906 40.800 -1.783 0.000 1.183 709 D HN 0.286 nan 8.370 nan 0.000 0.458 710 P HA -0.096 nan 4.420 nan 0.000 0.223 710 P C 1.275 178.039 177.300 -0.893 0.000 1.151 710 P CA 0.818 63.320 63.100 -0.996 0.000 0.787 710 P CB -0.097 30.756 31.700 -1.411 0.000 0.788 711 W N 0.538 121.368 121.300 -0.783 0.000 2.595 711 W HA 0.095 4.982 4.660 0.378 0.000 0.257 711 W C 1.380 177.877 176.519 -0.037 0.000 1.267 711 W CA 0.276 57.428 57.345 -0.322 0.000 1.300 711 W CB -2.003 27.442 29.460 -0.025 0.000 1.120 711 W HN -0.177 nan 8.180 nan 0.000 0.618 712 N N 0.718 119.305 118.700 -0.188 0.000 2.250 712 N HA -0.081 4.889 4.740 0.383 0.000 0.181 712 N C 1.411 176.889 175.510 -0.053 0.000 1.017 712 N CA 2.117 55.129 53.050 -0.063 0.000 0.866 712 N CB -0.782 37.611 38.487 -0.157 0.000 0.985 712 N HN 0.226 nan 8.380 nan 0.000 0.429 713 T N -0.502 113.968 114.554 -0.140 0.000 2.976 713 T HA -0.054 4.526 4.350 0.383 0.000 0.257 713 T C 0.696 175.368 174.700 -0.046 0.000 1.051 713 T CA 0.428 62.466 62.100 -0.103 0.000 1.141 713 T CB -0.188 68.585 68.868 -0.158 0.000 0.881 713 T HN 0.267 nan 8.240 nan 0.000 0.461 714 H N 2.035 121.015 119.070 -0.149 0.000 2.732 714 H HA 0.403 5.192 4.556 0.388 0.000 0.351 714 H C -0.507 174.747 175.328 -0.124 0.000 1.090 714 H CA -0.515 55.437 56.048 -0.160 0.000 1.431 714 H CB 0.522 30.171 29.762 -0.188 0.000 1.447 714 H HN 0.017 nan 8.280 nan 0.000 0.582 715 V N 2.879 122.406 119.914 -0.644 0.000 2.448 715 V HA 0.351 4.701 4.120 0.383 0.000 0.295 715 V C -0.416 175.366 176.094 -0.519 0.000 1.025 715 V CA -1.152 60.938 62.300 -0.350 0.000 0.859 715 V CB 0.488 32.215 31.823 -0.160 0.000 0.988 715 V HN 0.672 nan 8.190 nan 0.000 0.431 716 W N 0.000 121.243 121.300 -0.095 0.000 2.388 716 W HA 0.000 4.884 4.660 0.373 0.000 0.303 716 W CA 0.000 57.362 57.345 0.028 0.000 1.226 716 W CB 0.000 29.527 29.460 0.111 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535