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 3b3o_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXV DATA SEQUENCE RTKDQLFPLA 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 MGTEIGVRDY 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 0.000 176.608 176.300 0.514 0.000 0.893 299 R CA 0.000 56.317 56.100 0.361 0.000 0.921 299 R CB 0.000 30.524 30.300 0.374 0.000 0.687 300 F N 2.817 122.833 119.950 0.109 0.000 2.363 300 F HA 0.496 4.029 4.527 -1.655 0.000 0.366 300 F C -0.325 175.524 175.800 0.082 0.000 1.083 300 F CA -0.942 57.128 58.000 0.116 0.000 1.176 300 F CB 0.790 39.824 39.000 0.057 0.000 1.432 300 F HN -0.055 nan 8.300 nan 0.000 0.482 301 L N 3.217 124.535 121.223 0.159 0.000 2.439 301 L HA 0.327 3.674 4.340 -1.656 0.000 0.269 301 L C 0.207 177.123 176.870 0.077 0.000 1.179 301 L CA -0.185 54.678 54.840 0.038 0.000 0.828 301 L CB 0.670 42.633 42.059 -0.161 0.000 1.106 301 L HN 0.381 nan 8.230 nan 0.000 0.467 302 K N 1.782 122.213 120.400 0.050 0.000 2.316 302 K HA 0.649 3.976 4.320 -1.656 0.000 0.251 302 K C -1.227 175.376 176.600 0.006 0.000 0.934 302 K CA -0.760 55.546 56.287 0.032 0.000 0.802 302 K CB 2.696 35.206 32.500 0.017 0.000 1.171 302 K HN 0.414 nan 8.250 nan 0.000 0.426 303 V N -0.726 119.162 119.914 -0.043 0.000 2.604 303 V HA 0.592 3.718 4.120 -1.656 0.000 0.305 303 V C -0.762 175.265 176.094 -0.112 0.000 1.043 303 V CA -0.863 61.408 62.300 -0.047 0.000 0.888 303 V CB 1.593 33.388 31.823 -0.047 0.000 0.995 303 V HN 0.777 nan 8.190 nan 0.000 0.429 304 K N 3.500 123.848 120.400 -0.087 0.000 2.259 304 K HA 0.465 3.792 4.320 -1.656 0.000 0.249 304 K C -0.891 175.615 176.600 -0.157 0.000 0.942 304 K CA -0.742 55.413 56.287 -0.219 0.000 0.816 304 K CB 1.905 34.139 32.500 -0.445 0.000 1.155 304 K HN 0.902 nan 8.250 nan 0.000 0.428 305 N N 3.769 122.368 118.700 -0.168 0.000 2.437 305 N HA 0.096 3.843 4.740 -1.656 0.000 0.259 305 N C -0.305 175.167 175.510 -0.063 0.000 0.983 305 N CA -0.349 52.705 53.050 0.007 0.000 0.937 305 N CB 0.465 38.971 38.487 0.032 0.000 1.122 305 N HN 0.666 nan 8.380 nan 0.000 0.499 306 W N 2.036 123.413 121.300 0.129 0.000 2.825 306 W HA 0.098 3.765 4.660 -1.656 0.000 0.243 306 W C 1.991 178.567 176.519 0.094 0.000 1.293 306 W CA -0.072 57.345 57.345 0.120 0.000 1.403 306 W CB 0.294 29.848 29.460 0.157 0.000 1.134 306 W HN 0.660 nan 8.180 nan 0.000 0.666 307 E N -0.234 120.097 120.200 0.218 0.000 2.307 307 E HA -0.086 3.271 4.350 -1.656 0.000 0.195 307 E C 1.660 178.272 176.600 0.021 0.000 0.975 307 E CA 1.573 58.002 56.400 0.047 0.000 0.878 307 E CB 0.191 29.840 29.700 -0.086 0.000 0.845 307 E HN 0.200 nan 8.360 nan 0.000 0.488 308 T N -2.981 111.584 114.554 0.018 0.000 3.043 308 T HA 0.147 3.503 4.350 -1.656 0.000 0.272 308 T C 0.326 174.994 174.700 -0.055 0.000 0.990 308 T CA 0.185 62.276 62.100 -0.014 0.000 0.897 308 T CB 0.406 69.271 68.868 -0.005 0.000 1.111 308 T HN 0.018 nan 8.240 nan 0.000 0.529 309 D N 0.317 120.655 120.400 -0.102 0.000 3.006 309 D HA -0.134 3.512 4.640 -1.656 0.000 0.208 309 D C 0.058 176.257 176.300 -0.169 0.000 1.116 309 D CA 0.561 54.453 54.000 -0.180 0.000 0.998 309 D CB -1.642 39.077 40.800 -0.135 0.000 1.124 309 D HN 0.439 nan 8.370 nan 0.000 0.413 310 V N 1.124 120.963 119.914 -0.125 0.000 2.585 310 V HA 0.109 3.236 4.120 -1.656 0.000 0.296 310 V C 0.840 176.840 176.094 -0.156 0.000 1.035 310 V CA 0.105 62.336 62.300 -0.116 0.000 1.084 310 V CB 1.654 33.425 31.823 -0.086 0.000 0.953 310 V HN -0.071 nan 8.190 nan 0.000 0.483 311 V N 7.122 126.949 119.914 -0.146 0.000 2.448 311 V HA 0.514 3.641 4.120 -1.656 0.000 0.295 311 V C -0.139 175.866 176.094 -0.149 0.000 1.025 311 V CA -0.502 61.704 62.300 -0.156 0.000 0.859 311 V CB 1.678 33.422 31.823 -0.132 0.000 0.988 311 V HN 0.621 nan 8.190 nan 0.000 0.431 312 L N 3.399 124.490 121.223 -0.219 0.000 2.333 312 L HA 0.696 4.043 4.340 -1.656 0.000 0.269 312 L C 0.014 176.818 176.870 -0.109 0.000 1.010 312 L CA -0.458 54.227 54.840 -0.258 0.000 0.818 312 L CB 2.450 44.060 42.059 -0.748 0.000 1.306 312 L HN 0.531 nan 8.230 nan 0.000 0.430 313 T N -0.004 114.601 114.554 0.085 0.000 2.794 313 T HA 0.249 3.605 4.350 -1.656 0.000 0.280 313 T C -0.859 174.036 174.700 0.326 0.000 0.987 313 T CA -0.474 61.731 62.100 0.175 0.000 0.993 313 T CB 1.568 70.533 68.868 0.161 0.000 0.939 313 T HN 0.450 nan 8.240 nan 0.000 0.449 314 D N 1.785 122.356 120.400 0.285 0.000 2.308 314 D HA 0.304 3.951 4.640 -1.656 0.000 0.242 314 D C 0.616 176.944 176.300 0.046 0.000 1.059 314 D CA -0.442 53.692 54.000 0.223 0.000 0.830 314 D CB 1.748 42.747 40.800 0.332 0.000 1.161 314 D HN 0.643 nan 8.370 nan 0.000 0.494 315 T N 0.935 115.390 114.554 -0.165 0.000 2.954 315 T HA -0.030 3.326 4.350 -1.656 0.000 0.252 315 T C 1.858 176.282 174.700 -0.461 0.000 0.983 315 T CA -0.226 61.598 62.100 -0.460 0.000 0.941 315 T CB 0.089 68.564 68.868 -0.654 0.000 1.141 315 T HN 0.237 nan 8.240 nan 0.000 0.500 316 L N 3.476 124.521 121.223 -0.296 0.000 2.081 316 L HA -0.175 3.172 4.340 -1.656 0.000 0.212 316 L C 2.622 179.235 176.870 -0.428 0.000 1.080 316 L CA 2.160 56.841 54.840 -0.265 0.000 0.754 316 L CB -0.976 41.008 42.059 -0.125 0.000 0.893 316 L HN 0.618 nan 8.230 nan 0.000 0.433 317 H N -1.171 117.450 119.070 -0.748 0.000 2.457 317 H HA -0.180 3.382 4.556 -1.656 0.000 0.297 317 H C 2.045 177.031 175.328 -0.571 0.000 1.092 317 H CA 1.732 57.040 56.048 -1.234 0.000 1.309 317 H CB -0.813 28.222 29.762 -1.212 0.000 1.382 317 H HN 0.453 nan 8.280 nan 0.000 0.535 318 L N 0.739 121.317 121.223 -1.076 0.000 2.083 318 L HA -0.149 3.198 4.340 -1.656 0.000 0.209 318 L C 2.418 179.081 176.870 -0.346 0.000 1.083 318 L CA 1.547 55.984 54.840 -0.672 0.000 0.752 318 L CB -0.330 41.371 42.059 -0.597 0.000 0.899 318 L HN 0.207 nan 8.230 nan 0.000 0.433 319 K N -0.379 119.840 120.400 -0.302 0.000 2.555 319 K HA 0.003 3.330 4.320 -1.656 0.000 0.193 319 K C 1.014 177.551 176.600 -0.104 0.000 1.032 319 K CA -0.076 56.111 56.287 -0.167 0.000 1.004 319 K CB 0.000 32.419 32.500 -0.136 0.000 0.804 319 K HN 0.105 nan 8.250 nan 0.000 0.496 320 S N 0.255 115.879 115.700 -0.127 0.000 2.568 320 S HA 0.006 3.483 4.470 -1.656 0.000 0.282 320 S C 0.792 175.386 174.600 -0.010 0.000 1.338 320 S CA 0.030 58.216 58.200 -0.023 0.000 1.045 320 S CB 0.731 63.927 63.200 -0.007 0.000 0.873 320 S HN 0.228 nan 8.310 nan 0.000 0.516 321 T N 3.889 118.456 114.554 0.021 0.000 3.057 321 T HA 0.263 3.620 4.350 -1.656 0.000 0.254 321 T C 0.362 175.078 174.700 0.026 0.000 0.965 321 T CA -0.236 61.874 62.100 0.016 0.000 0.978 321 T CB -0.090 68.786 68.868 0.014 0.000 1.169 321 T HN 0.478 nan 8.240 nan 0.000 0.489 322 L N 1.896 123.141 121.223 0.037 0.000 2.453 322 L HA 0.383 3.729 4.340 -1.656 0.000 0.261 322 L C 0.562 177.459 176.870 0.046 0.000 1.179 322 L CA -0.532 54.330 54.840 0.037 0.000 0.813 322 L CB 0.540 42.619 42.059 0.033 0.000 1.110 322 L HN 0.154 nan 8.230 nan 0.000 0.466 323 E N -0.471 119.754 120.200 0.041 0.000 2.345 323 E HA 0.098 3.455 4.350 -1.656 0.000 0.259 323 E C 0.374 177.004 176.600 0.050 0.000 1.117 323 E CA 0.214 56.640 56.400 0.044 0.000 0.913 323 E CB 1.099 30.821 29.700 0.037 0.000 1.057 323 E HN 0.741 nan 8.360 nan 0.000 0.432 324 T N -2.375 112.211 114.554 0.052 0.000 3.000 324 T HA 0.275 3.632 4.350 -1.656 0.000 0.248 324 T C 1.329 176.056 174.700 0.046 0.000 1.034 324 T CA 0.446 62.579 62.100 0.054 0.000 1.060 324 T CB 0.449 69.355 68.868 0.063 0.000 0.983 324 T HN 0.741 nan 8.240 nan 0.000 0.482 325 G N 0.517 109.342 108.800 0.042 0.000 2.254 325 G HA2 -0.221 2.746 3.960 -1.656 0.000 0.225 325 G HA3 -0.221 2.746 3.960 -1.656 0.000 0.225 325 G C 0.318 175.242 174.900 0.040 0.000 1.003 325 G CA -0.207 44.917 45.100 0.039 0.000 0.622 325 G HN 0.755 nan 8.290 nan 0.000 0.507 326 C N 1.632 120.956 119.300 0.041 0.000 2.422 326 C HA 0.891 4.357 4.460 -1.656 0.000 0.364 326 C C 1.000 176.012 174.990 0.038 0.000 1.251 326 C CA 0.659 59.700 59.018 0.038 0.000 2.441 326 C CB 0.902 28.662 27.740 0.034 0.000 2.393 326 C HN 1.069 nan 8.230 nan 0.000 0.606 327 T N -1.722 112.854 114.554 0.037 0.000 2.812 327 T HA 0.386 3.742 4.350 -1.656 0.000 0.294 327 T C 0.093 174.792 174.700 -0.002 0.000 1.159 327 T CA -0.526 61.596 62.100 0.037 0.000 1.008 327 T CB 1.113 70.030 68.868 0.081 0.000 1.289 327 T HN 0.482 nan 8.240 nan 0.000 0.514 328 E N -0.234 119.930 120.200 -0.060 0.000 2.338 328 E HA -0.030 3.327 4.350 -1.656 0.000 0.197 328 E C 1.438 177.863 176.600 -0.290 0.000 1.007 328 E CA 1.122 57.411 56.400 -0.186 0.000 0.849 328 E CB -0.253 29.282 29.700 -0.276 0.000 0.774 328 E HN 0.603 nan 8.360 nan 0.000 0.506 329 H N -1.060 118.014 119.070 0.008 0.000 2.582 329 H HA 0.385 3.948 4.556 -1.656 0.000 0.269 329 H C 0.266 175.597 175.328 0.005 0.000 0.962 329 H CA 0.255 56.306 56.048 0.006 0.000 1.230 329 H CB 1.139 30.905 29.762 0.006 0.000 1.445 329 H HN 0.109 nan 8.280 nan 0.000 0.528 330 I N 0.413 121.042 120.570 0.098 0.000 2.722 330 I HA 0.163 3.339 4.170 -1.656 0.000 0.292 330 I C -1.189 174.950 176.117 0.037 0.000 1.267 330 I CA -0.688 60.650 61.300 0.062 0.000 1.036 330 I CB 2.145 40.184 38.000 0.066 0.000 1.281 330 I HN -0.003 nan 8.210 nan 0.000 0.423 331 C N 7.651 126.965 119.300 0.024 0.000 2.307 331 C HA 0.529 3.995 4.460 -1.656 0.000 0.340 331 C C 0.850 175.856 174.990 0.026 0.000 1.275 331 C CA -0.441 58.588 59.018 0.018 0.000 1.811 331 C CB 0.442 28.183 27.740 0.002 0.000 2.372 331 C HN 0.858 nan 8.230 nan 0.000 0.531 332 M N 4.792 124.412 119.600 0.034 0.000 2.576 332 M HA 0.186 3.672 4.480 -1.656 0.000 0.322 332 M C 1.878 178.209 176.300 0.052 0.000 1.184 332 M CA 0.084 55.408 55.300 0.040 0.000 0.967 332 M CB 0.092 32.716 32.600 0.040 0.000 1.372 332 M HN 1.021 nan 8.290 nan 0.000 0.509 333 G N 1.331 110.161 108.800 0.049 0.000 2.517 333 G HA2 -0.248 2.718 3.960 -1.656 0.000 0.222 333 G HA3 -0.248 2.718 3.960 -1.656 0.000 0.222 333 G C 1.374 176.337 174.900 0.104 0.000 1.109 333 G CA 1.627 46.769 45.100 0.069 0.000 0.746 333 G HN 0.587 nan 8.290 nan 0.000 0.576 334 S N -0.442 115.314 115.700 0.093 0.000 2.572 334 S HA 0.407 3.884 4.470 -1.656 0.000 0.228 334 S C 0.518 175.188 174.600 0.117 0.000 0.963 334 S CA -0.668 57.604 58.200 0.120 0.000 0.939 334 S CB 0.184 63.438 63.200 0.090 0.000 0.804 334 S HN 0.039 nan 8.310 nan 0.000 0.480 335 I N 2.709 123.338 120.570 0.098 0.000 2.371 335 I HA 0.227 3.403 4.170 -1.656 0.000 0.290 335 I C 1.678 177.859 176.117 0.106 0.000 1.028 335 I CA -0.225 61.124 61.300 0.081 0.000 1.345 335 I CB 0.421 38.452 38.000 0.053 0.000 1.407 335 I HN 0.260 nan 8.210 nan 0.000 0.501 336 M N 5.669 125.335 119.600 0.110 0.000 2.065 336 M HA -0.112 3.375 4.480 -1.656 0.000 0.259 336 M C 0.493 176.795 176.300 0.002 0.000 1.069 336 M CA 1.916 57.296 55.300 0.132 0.000 1.110 336 M CB -0.181 32.482 32.600 0.106 0.000 1.328 336 M HN 0.384 nan 8.290 nan 0.000 0.405 337 L N 0.736 121.930 121.223 -0.048 0.000 2.435 337 L HA 0.354 3.700 4.340 -1.656 0.000 0.253 337 L C -2.126 174.732 176.870 -0.019 0.000 1.087 337 L CA -1.662 53.122 54.840 -0.093 0.000 0.950 337 L CB 0.099 42.062 42.059 -0.161 0.000 1.304 337 L HN 0.024 nan 8.230 nan 0.000 0.453 349 R N 1.966 122.469 120.500 0.005 0.000 2.543 349 R HA 0.738 4.085 4.340 -1.656 0.000 0.268 349 R C -0.473 175.841 176.300 0.025 0.000 1.067 349 R CA -0.370 55.739 56.100 0.015 0.000 1.142 349 R CB 1.630 31.939 30.300 0.015 0.000 1.110 349 R HN 0.825 nan 8.270 nan 0.000 0.549 350 T N 0.888 115.462 114.554 0.033 0.000 2.940 350 T HA 0.205 3.561 4.350 -1.656 0.000 0.288 350 T C 0.971 175.704 174.700 0.054 0.000 1.033 350 T CA -0.802 61.320 62.100 0.038 0.000 1.033 350 T CB 1.722 70.610 68.868 0.033 0.000 1.079 350 T HN 0.411 nan 8.240 nan 0.000 0.496 351 K N 0.714 121.146 120.400 0.053 0.000 2.147 351 K HA -0.124 3.202 4.320 -1.656 0.000 0.205 351 K C 1.210 177.863 176.600 0.088 0.000 1.049 351 K CA 1.341 57.670 56.287 0.069 0.000 0.936 351 K CB 0.010 32.535 32.500 0.041 0.000 0.722 351 K HN 0.449 nan 8.250 nan 0.000 0.446 352 D N 0.938 121.378 120.400 0.066 0.000 2.144 352 D HA -0.126 3.520 4.640 -1.656 0.000 0.200 352 D C 1.954 178.306 176.300 0.088 0.000 0.978 352 D CA 1.172 55.216 54.000 0.073 0.000 0.833 352 D CB -0.023 40.805 40.800 0.047 0.000 0.961 352 D HN 0.323 nan 8.370 nan 0.000 0.470 353 Q N -0.277 119.565 119.800 0.071 0.000 2.096 353 Q HA -0.019 3.328 4.340 -1.656 0.000 0.197 353 Q C 2.099 178.142 176.000 0.071 0.000 0.964 353 Q CA 0.356 56.195 55.803 0.060 0.000 0.838 353 Q CB -0.014 28.750 28.738 0.044 0.000 0.906 353 Q HN 0.153 nan 8.270 nan 0.000 0.444 354 L N 0.311 121.590 121.223 0.093 0.000 2.056 354 L HA -0.109 3.237 4.340 -1.656 0.000 0.207 354 L C 2.045 178.980 176.870 0.108 0.000 1.078 354 L CA 1.560 56.467 54.840 0.112 0.000 0.749 354 L CB -0.644 41.501 42.059 0.144 0.000 0.901 354 L HN 0.116 nan 8.230 nan 0.000 0.433 355 F N 1.940 121.890 119.950 0.001 0.000 2.095 355 F HA -0.083 3.450 4.527 -1.656 0.000 0.298 355 F C -0.521 175.276 175.800 -0.005 0.000 1.104 355 F CA 1.641 59.622 58.000 -0.031 0.000 1.232 355 F CB -1.716 37.262 39.000 -0.036 0.000 0.987 355 F HN 0.194 nan 8.300 nan 0.000 0.475 356 P HA -0.216 nan 4.420 nan 0.000 0.215 356 P C 2.141 179.337 177.300 -0.173 0.000 1.153 356 P CA 1.882 64.881 63.100 -0.169 0.000 0.853 356 P CB -0.270 31.422 31.700 -0.012 0.000 0.788 357 L N -0.392 120.783 121.223 -0.080 0.000 2.017 357 L HA -0.157 3.190 4.340 -1.656 0.000 0.208 357 L C 2.913 179.782 176.870 -0.001 0.000 1.073 357 L CA 1.791 56.622 54.840 -0.016 0.000 0.745 357 L CB -1.428 40.647 42.059 0.026 0.000 0.894 357 L HN -0.052 nan 8.230 nan 0.000 0.432 358 A N -0.013 122.764 122.820 -0.072 0.000 1.908 358 A HA -0.268 3.058 4.320 -1.656 0.000 0.218 358 A C 2.416 179.934 177.584 -0.110 0.000 1.181 358 A CA 2.074 54.075 52.037 -0.060 0.000 0.627 358 A CB -0.504 18.282 19.000 -0.357 0.000 0.818 358 A HN 0.332 nan 8.150 nan 0.000 0.445 359 K N -0.328 119.829 120.400 -0.404 0.000 2.026 359 K HA -0.228 3.099 4.320 -1.656 0.000 0.208 359 K C 2.157 178.711 176.600 -0.076 0.000 1.048 359 K CA 1.722 57.805 56.287 -0.341 0.000 0.929 359 K CB -0.223 31.927 32.500 -0.582 0.000 0.713 359 K HN 0.656 nan 8.250 nan 0.000 0.439 360 E N -0.134 120.040 120.200 -0.043 0.000 2.049 360 E HA -0.259 3.098 4.350 -1.656 0.000 0.198 360 E C 1.948 178.614 176.600 0.111 0.000 1.007 360 E CA 1.660 58.086 56.400 0.043 0.000 0.809 360 E CB -0.308 29.421 29.700 0.048 0.000 0.749 360 E HN 0.337 nan 8.360 nan 0.000 0.450 361 F N 1.388 121.350 119.950 0.020 0.000 2.069 361 F HA -0.206 3.329 4.527 -1.655 0.000 0.298 361 F C 2.081 177.939 175.800 0.096 0.000 1.113 361 F CA 1.639 59.683 58.000 0.073 0.000 1.214 361 F CB -0.508 38.546 39.000 0.091 0.000 0.978 361 F HN 0.032 nan 8.300 nan 0.000 0.474 362 L N 0.019 121.184 121.223 -0.097 0.000 2.042 362 L HA -0.250 3.097 4.340 -1.656 0.000 0.210 362 L C 2.279 179.098 176.870 -0.085 0.000 1.076 362 L CA 1.583 56.358 54.840 -0.107 0.000 0.749 362 L CB -0.885 41.224 42.059 0.084 0.000 0.893 362 L HN 0.143 nan 8.230 nan 0.000 0.432 363 D N -0.245 120.151 120.400 -0.007 0.000 2.117 363 D HA -0.229 3.418 4.640 -1.656 0.000 0.197 363 D C 2.211 178.538 176.300 0.045 0.000 0.987 363 D CA 1.605 55.674 54.000 0.115 0.000 0.829 363 D CB -0.221 40.791 40.800 0.352 0.000 0.961 363 D HN 0.585 nan 8.370 nan 0.000 0.460 364 Q N -0.195 119.570 119.800 -0.059 0.000 2.123 364 Q HA -0.200 3.147 4.340 -1.656 0.000 0.199 364 Q C 2.257 178.083 176.000 -0.290 0.000 0.966 364 Q CA 0.905 56.640 55.803 -0.112 0.000 0.845 364 Q CB -0.669 28.054 28.738 -0.026 0.000 0.907 364 Q HN 0.333 nan 8.270 nan 0.000 0.439 365 Y N 0.760 120.665 120.300 -0.658 0.000 2.114 365 Y HA -0.245 3.312 4.550 -1.655 0.000 0.284 365 Y C 1.562 177.009 175.900 -0.754 0.000 1.143 365 Y CA 1.563 59.004 58.100 -1.099 0.000 1.135 365 Y CB -0.546 37.132 38.460 -1.303 0.000 0.980 365 Y HN 0.088 nan 8.280 nan 0.000 0.499 366 Y N -0.636 119.257 120.300 -0.678 0.000 2.352 366 Y HA -0.179 3.378 4.550 -1.656 0.000 0.292 366 Y C 3.059 178.742 175.900 -0.362 0.000 1.136 366 Y CA 1.696 59.420 58.100 -0.627 0.000 1.227 366 Y CB -0.656 37.379 38.460 -0.709 0.000 0.991 366 Y HN 0.239 nan 8.280 nan 0.000 0.545 367 S N -0.617 115.022 115.700 -0.102 0.000 2.383 367 S HA -0.185 3.292 4.470 -1.656 0.000 0.227 367 S C 2.350 176.844 174.600 -0.175 0.000 1.026 367 S CA 1.391 59.553 58.200 -0.062 0.000 0.981 367 S CB -0.618 62.487 63.200 -0.158 0.000 0.818 367 S HN 0.580 nan 8.310 nan 0.000 0.472 368 S N 1.925 117.449 115.700 -0.294 0.000 2.419 368 S HA -0.035 3.441 4.470 -1.656 0.000 0.233 368 S C 1.580 176.019 174.600 -0.268 0.000 1.016 368 S CA 1.018 59.076 58.200 -0.236 0.000 0.974 368 S CB -0.927 62.136 63.200 -0.228 0.000 0.786 368 S HN 0.808 nan 8.310 nan 0.000 0.492 369 I N -2.490 117.818 120.570 -0.437 0.000 3.884 369 I HA 0.440 3.616 4.170 -1.656 0.000 0.330 369 I C -0.058 175.938 176.117 -0.201 0.000 1.451 369 I CA -0.665 60.419 61.300 -0.360 0.000 1.165 369 I CB -0.578 37.074 38.000 -0.579 0.000 1.097 369 I HN 0.005 nan 8.210 nan 0.000 0.404 370 K N 1.762 122.085 120.400 -0.128 0.000 3.035 370 K HA -0.178 3.149 4.320 -1.656 0.000 0.262 370 K C 0.284 176.887 176.600 0.004 0.000 1.024 370 K CA 0.662 56.925 56.287 -0.040 0.000 0.748 370 K CB -1.271 31.208 32.500 -0.035 0.000 1.247 370 K HN 0.594 nan 8.250 nan 0.000 0.482 371 R N 0.303 120.822 120.500 0.032 0.000 2.698 371 R HA 0.132 3.478 4.340 -1.656 0.000 0.422 371 R C -0.589 175.830 176.300 0.199 0.000 1.073 371 R CA -0.480 55.685 56.100 0.109 0.000 1.054 371 R CB 0.316 30.692 30.300 0.127 0.000 1.373 371 R HN 0.117 nan 8.270 nan 0.000 0.593 372 F N 1.321 121.309 119.950 0.065 0.000 2.543 372 F HA 0.238 3.771 4.527 -1.656 0.000 0.375 372 F C 1.240 177.152 175.800 0.186 0.000 1.075 372 F CA 1.025 59.110 58.000 0.142 0.000 1.225 372 F CB 0.783 39.812 39.000 0.048 0.000 1.099 372 F HN 0.446 nan 8.300 nan 0.000 0.561 373 G N 4.181 112.749 108.800 -0.387 0.000 2.324 373 G HA2 -0.126 2.841 3.960 -1.656 0.000 0.292 373 G HA3 -0.126 2.841 3.960 -1.656 0.000 0.292 373 G C -0.215 174.548 174.900 -0.228 0.000 1.079 373 G CA 0.299 45.094 45.100 -0.509 0.000 1.026 373 G HN 1.215 nan 8.290 nan 0.000 0.506 374 S N -1.602 114.002 115.700 -0.160 0.000 2.677 374 S HA 0.717 4.194 4.470 -1.656 0.000 0.304 374 S C 1.199 175.721 174.600 -0.130 0.000 1.108 374 S CA -0.007 58.141 58.200 -0.087 0.000 0.944 374 S CB 2.151 65.354 63.200 0.005 0.000 1.127 374 S HN 0.326 nan 8.310 nan 0.000 0.511 375 K N 0.329 120.678 120.400 -0.086 0.000 2.032 375 K HA -0.122 3.204 4.320 -1.656 0.000 0.209 375 K C 2.244 178.791 176.600 -0.088 0.000 1.048 375 K CA 1.509 57.742 56.287 -0.089 0.000 0.927 375 K CB -0.911 31.559 32.500 -0.051 0.000 0.712 375 K HN 0.736 nan 8.250 nan 0.000 0.441 376 A N 0.800 123.602 122.820 -0.032 0.000 1.873 376 A HA -0.283 3.043 4.320 -1.656 0.000 0.218 376 A C 2.050 179.531 177.584 -0.171 0.000 1.193 376 A CA 2.087 54.139 52.037 0.024 0.000 0.629 376 A CB -1.163 17.947 19.000 0.183 0.000 0.826 376 A HN 0.666 nan 8.150 nan 0.000 0.447 377 H N -1.273 117.440 119.070 -0.596 0.000 2.253 377 H HA -0.169 3.393 4.556 -1.656 0.000 0.296 377 H C 2.221 177.151 175.328 -0.663 0.000 1.074 377 H CA 1.683 56.954 56.048 -1.296 0.000 1.263 377 H CB -0.148 29.037 29.762 -0.962 0.000 1.363 377 H HN 0.334 nan 8.280 nan 0.000 0.489 378 M N 1.013 120.336 119.600 -0.461 0.000 2.089 378 M HA -0.209 3.277 4.480 -1.656 0.000 0.257 378 M C 1.827 178.004 176.300 -0.204 0.000 1.071 378 M CA 1.476 56.549 55.300 -0.380 0.000 1.096 378 M CB -1.009 31.411 32.600 -0.300 0.000 1.330 378 M HN 0.394 nan 8.290 nan 0.000 0.403 379 D N -0.283 120.028 120.400 -0.149 0.000 2.087 379 D HA -0.181 3.466 4.640 -1.656 0.000 0.192 379 D C 2.024 178.298 176.300 -0.042 0.000 0.993 379 D CA 1.632 55.587 54.000 -0.075 0.000 0.828 379 D CB -0.409 40.367 40.800 -0.039 0.000 0.968 379 D HN 0.247 nan 8.370 nan 0.000 0.448 380 R N 0.400 120.879 120.500 -0.035 0.000 2.103 380 R HA -0.156 3.191 4.340 -1.656 0.000 0.242 380 R C 2.144 178.468 176.300 0.040 0.000 1.142 380 R CA 0.984 57.108 56.100 0.041 0.000 0.960 380 R CB -0.865 29.510 30.300 0.126 0.000 0.858 380 R HN 0.183 nan 8.270 nan 0.000 0.439 381 L N 0.934 122.159 121.223 0.004 0.000 2.012 381 L HA -0.161 3.186 4.340 -1.656 0.000 0.210 381 L C 2.111 179.034 176.870 0.088 0.000 1.073 381 L CA 2.441 57.317 54.840 0.059 0.000 0.748 381 L CB -1.098 40.967 42.059 0.010 0.000 0.891 381 L HN 0.371 nan 8.230 nan 0.000 0.431 382 E N 0.009 120.216 120.200 0.012 0.000 2.051 382 E HA -0.281 3.075 4.350 -1.656 0.000 0.192 382 E C 2.188 178.786 176.600 -0.004 0.000 0.991 382 E CA 1.829 58.222 56.400 -0.013 0.000 0.799 382 E CB -0.376 29.299 29.700 -0.042 0.000 0.748 382 E HN 0.667 nan 8.360 nan 0.000 0.449 383 E N -0.429 119.779 120.200 0.014 0.000 2.058 383 E HA -0.175 3.182 4.350 -1.656 0.000 0.194 383 E C 2.012 178.634 176.600 0.037 0.000 0.997 383 E CA 1.795 58.212 56.400 0.027 0.000 0.801 383 E CB -0.025 29.704 29.700 0.047 0.000 0.746 383 E HN 0.221 nan 8.360 nan 0.000 0.450 384 V N 2.164 122.104 119.914 0.044 0.000 2.427 384 V HA -0.244 2.883 4.120 -1.656 0.000 0.248 384 V C 2.490 178.587 176.094 0.005 0.000 1.051 384 V CA 1.809 64.107 62.300 -0.004 0.000 1.048 384 V CB -0.851 30.894 31.823 -0.130 0.000 0.666 384 V HN 0.410 nan 8.190 nan 0.000 0.456 385 N N 0.862 119.596 118.700 0.057 0.000 2.043 385 N HA -0.211 3.535 4.740 -1.656 0.000 0.193 385 N C 1.892 177.329 175.510 -0.123 0.000 1.037 385 N CA 1.854 54.856 53.050 -0.081 0.000 0.851 385 N CB -0.104 38.251 38.487 -0.220 0.000 1.027 385 N HN 0.495 nan 8.380 nan 0.000 0.422 386 K N 0.614 120.970 120.400 -0.073 0.000 2.057 386 K HA -0.147 3.180 4.320 -1.656 0.000 0.207 386 K C 1.999 178.588 176.600 -0.020 0.000 1.049 386 K CA 1.138 57.392 56.287 -0.055 0.000 0.931 386 K CB -0.170 32.309 32.500 -0.034 0.000 0.714 386 K HN 0.366 nan 8.250 nan 0.000 0.440 387 E N 1.220 121.428 120.200 0.014 0.000 2.077 387 E HA -0.196 3.161 4.350 -1.656 0.000 0.193 387 E C 1.964 178.601 176.600 0.062 0.000 0.989 387 E CA 1.062 57.493 56.400 0.052 0.000 0.800 387 E CB -0.005 29.755 29.700 0.100 0.000 0.746 387 E HN 0.240 nan 8.360 nan 0.000 0.452 388 I N 0.972 121.575 120.570 0.055 0.000 2.142 388 I HA -0.225 2.951 4.170 -1.656 0.000 0.240 388 I C 2.707 178.842 176.117 0.029 0.000 1.078 388 I CA 0.981 62.325 61.300 0.073 0.000 1.343 388 I CB -0.344 37.704 38.000 0.081 0.000 1.046 388 I HN 0.165 nan 8.210 nan 0.000 0.405 389 E N 0.609 120.795 120.200 -0.022 0.000 2.085 389 E HA -0.231 3.125 4.350 -1.656 0.000 0.194 389 E C 2.255 178.847 176.600 -0.014 0.000 0.994 389 E CA 1.735 58.112 56.400 -0.038 0.000 0.801 389 E CB -0.145 29.507 29.700 -0.080 0.000 0.743 389 E HN 0.332 nan 8.360 nan 0.000 0.453 390 S N -0.783 114.914 115.700 -0.005 0.000 2.348 390 S HA -0.080 3.396 4.470 -1.656 0.000 0.219 390 S C 1.931 176.541 174.600 0.017 0.000 1.033 390 S CA 1.950 60.153 58.200 0.004 0.000 0.974 390 S CB -0.332 62.872 63.200 0.006 0.000 0.868 390 S HN 0.441 nan 8.310 nan 0.000 0.459 391 T N -0.557 114.016 114.554 0.033 0.000 3.107 391 T HA 0.202 3.559 4.350 -1.656 0.000 0.249 391 T C 0.904 175.630 174.700 0.043 0.000 1.096 391 T CA 1.047 63.170 62.100 0.039 0.000 1.012 391 T CB -0.430 68.471 68.868 0.053 0.000 0.977 391 T HN 1.087 nan 8.240 nan 0.000 0.527 392 S N -1.163 114.564 115.700 0.046 0.000 3.445 392 S HA -0.205 3.271 4.470 -1.656 0.000 0.319 392 S C 0.325 174.971 174.600 0.076 0.000 1.209 392 S CA 1.219 59.449 58.200 0.050 0.000 0.934 392 S CB -2.879 60.339 63.200 0.030 0.000 0.999 392 S HN 1.326 nan 8.310 nan 0.000 0.582 393 T N -0.801 113.824 114.554 0.120 0.000 2.649 393 T HA 0.538 3.895 4.350 -1.656 0.000 0.287 393 T C -1.661 173.220 174.700 0.301 0.000 1.933 393 T CA -0.005 62.205 62.100 0.184 0.000 0.943 393 T CB 0.415 69.317 68.868 0.057 0.000 2.078 393 T HN 1.700 nan 8.240 nan 0.000 0.455 394 Y N -0.707 119.602 120.300 0.015 0.000 2.788 394 Y HA 0.814 4.372 4.550 -1.653 0.000 0.335 394 Y C -1.779 174.137 175.900 0.026 0.000 1.287 394 Y CA -1.264 56.855 58.100 0.032 0.000 1.068 394 Y CB 0.847 39.344 38.460 0.062 0.000 1.340 394 Y HN 0.515 nan 8.280 nan 0.000 0.449 395 Q N 1.960 121.779 119.800 0.033 0.000 2.365 395 Q HA 0.517 3.863 4.340 -1.656 0.000 0.269 395 Q C -1.134 174.884 176.000 0.031 0.000 1.061 395 Q CA -0.863 54.903 55.803 -0.062 0.000 0.816 395 Q CB 3.146 31.895 28.738 0.019 0.000 1.325 395 Q HN 0.769 nan 8.270 nan 0.000 0.446 396 L N 1.738 122.948 121.223 -0.023 0.000 2.395 396 L HA 0.305 3.652 4.340 -1.656 0.000 0.269 396 L C 0.600 177.503 176.870 0.054 0.000 1.133 396 L CA -0.696 54.183 54.840 0.066 0.000 0.812 396 L CB 0.408 42.485 42.059 0.031 0.000 1.125 396 L HN 0.180 nan 8.230 nan 0.000 0.452 397 K N 1.533 121.968 120.400 0.057 0.000 2.237 397 K HA 0.056 3.383 4.320 -1.656 0.000 0.270 397 K C 0.492 177.080 176.600 -0.020 0.000 1.015 397 K CA -0.321 55.977 56.287 0.018 0.000 0.949 397 K CB 0.774 33.277 32.500 0.006 0.000 0.976 397 K HN 0.454 nan 8.250 nan 0.000 0.472 398 D N 1.019 121.408 120.400 -0.019 0.000 2.126 398 D HA -0.206 3.441 4.640 -1.656 0.000 0.190 398 D C 1.669 177.945 176.300 -0.039 0.000 1.001 398 D CA 2.461 56.441 54.000 -0.033 0.000 0.841 398 D CB -0.358 40.428 40.800 -0.023 0.000 0.949 398 D HN 0.759 nan 8.370 nan 0.000 0.446 399 T N -0.876 113.654 114.554 -0.039 0.000 2.737 399 T HA -0.199 3.158 4.350 -1.656 0.000 0.269 399 T C 1.802 176.439 174.700 -0.105 0.000 1.040 399 T CA 1.512 63.591 62.100 -0.034 0.000 1.142 399 T CB -0.433 68.430 68.868 -0.008 0.000 0.861 399 T HN 0.267 nan 8.240 nan 0.000 0.456 400 E N 0.719 120.788 120.200 -0.219 0.000 2.106 400 E HA 0.012 3.369 4.350 -1.656 0.000 0.192 400 E C 2.101 178.770 176.600 0.116 0.000 0.984 400 E CA 0.906 57.215 56.400 -0.152 0.000 0.806 400 E CB -0.290 29.393 29.700 -0.029 0.000 0.750 400 E HN 0.323 nan 8.360 nan 0.000 0.458 401 L N 1.167 122.391 121.223 0.001 0.000 1.994 401 L HA -0.177 3.170 4.340 -1.656 0.000 0.208 401 L C 2.072 178.913 176.870 -0.048 0.000 1.071 401 L CA 1.609 56.402 54.840 -0.079 0.000 0.745 401 L CB -0.310 41.662 42.059 -0.145 0.000 0.892 401 L HN 0.115 nan 8.230 nan 0.000 0.431 402 I N -1.631 118.933 120.570 -0.011 0.000 2.127 402 I HA -0.373 2.804 4.170 -1.656 0.000 0.241 402 I C 2.444 178.640 176.117 0.132 0.000 1.075 402 I CA 1.970 63.282 61.300 0.019 0.000 1.334 402 I CB -0.591 37.420 38.000 0.018 0.000 1.040 402 I HN 0.375 nan 8.210 nan 0.000 0.405 403 Y N 1.753 122.112 120.300 0.099 0.000 2.165 403 Y HA -0.216 3.340 4.550 -1.656 0.000 0.286 403 Y C 2.367 178.440 175.900 0.287 0.000 1.155 403 Y CA 1.682 59.919 58.100 0.228 0.000 1.164 403 Y CB -0.771 37.807 38.460 0.196 0.000 0.978 403 Y HN 0.093 nan 8.280 nan 0.000 0.513 404 G N -0.182 108.777 108.800 0.266 0.000 2.418 404 G HA2 -0.260 2.707 3.960 -1.656 0.000 0.217 404 G HA3 -0.260 2.707 3.960 -1.656 0.000 0.217 404 G C 1.795 176.645 174.900 -0.082 0.000 1.158 404 G CA 0.990 46.142 45.100 0.088 0.000 0.771 404 G HN 0.614 nan 8.290 nan 0.000 0.545 405 A N 0.687 123.456 122.820 -0.085 0.000 1.898 405 A HA 0.057 3.383 4.320 -1.656 0.000 0.216 405 A C 2.294 179.897 177.584 0.032 0.000 1.181 405 A CA 1.870 53.846 52.037 -0.102 0.000 0.620 405 A CB -0.328 18.622 19.000 -0.084 0.000 0.819 405 A HN 0.357 nan 8.150 nan 0.000 0.442 406 K N -1.294 119.175 120.400 0.115 0.000 2.097 406 K HA -0.178 3.149 4.320 -1.656 0.000 0.206 406 K C 1.938 178.642 176.600 0.173 0.000 1.049 406 K CA 1.770 58.210 56.287 0.254 0.000 0.933 406 K CB -0.291 32.371 32.500 0.270 0.000 0.717 406 K HN 0.633 nan 8.250 nan 0.000 0.442 407 H N -0.224 118.792 119.070 -0.089 0.000 2.428 407 H HA 0.042 3.604 4.556 -1.656 0.000 0.296 407 H C 1.861 177.066 175.328 -0.205 0.000 1.062 407 H CA 1.197 57.097 56.048 -0.245 0.000 1.350 407 H CB -0.074 29.423 29.762 -0.441 0.000 1.403 407 H HN 0.243 nan 8.280 nan 0.000 0.533 408 A N 0.332 123.041 122.820 -0.185 0.000 1.933 408 A HA -0.201 3.126 4.320 -1.656 0.000 0.218 408 A C 2.033 179.559 177.584 -0.097 0.000 1.175 408 A CA 1.435 53.230 52.037 -0.404 0.000 0.628 408 A CB -0.895 17.438 19.000 -1.111 0.000 0.814 408 A HN 0.599 nan 8.150 nan 0.000 0.444 409 W N 0.885 122.138 121.300 -0.078 0.000 2.379 409 W HA -0.097 3.572 4.660 -1.652 0.000 0.307 409 W C 2.313 178.788 176.519 -0.073 0.000 1.200 409 W CA 1.422 58.801 57.345 0.057 0.000 1.297 409 W CB -0.731 28.762 29.460 0.055 0.000 1.140 409 W HN 0.357 nan 8.180 nan 0.000 0.507 410 R N 0.333 120.766 120.500 -0.112 0.000 2.117 410 R HA -0.190 3.157 4.340 -1.656 0.000 0.243 410 R C 1.450 177.558 176.300 -0.319 0.000 1.143 410 R CA 1.854 57.639 56.100 -0.525 0.000 0.968 410 R CB -0.491 29.102 30.300 -1.179 0.000 0.863 410 R HN 0.105 nan 8.270 nan 0.000 0.444 411 N N 0.117 118.700 118.700 -0.195 0.000 2.398 411 N HA 0.029 3.776 4.740 -1.656 0.000 0.188 411 N C -0.442 175.027 175.510 -0.068 0.000 1.122 411 N CA 0.548 53.516 53.050 -0.137 0.000 0.866 411 N CB 0.669 39.086 38.487 -0.117 0.000 0.970 411 N HN 0.142 nan 8.380 nan 0.000 0.462 412 A N 1.192 124.024 122.820 0.020 0.000 2.655 412 A HA 0.159 3.486 4.320 -1.656 0.000 0.297 412 A C 1.455 179.040 177.584 0.001 0.000 1.461 412 A CA -0.209 51.852 52.037 0.041 0.000 1.146 412 A CB -0.288 18.801 19.000 0.149 0.000 1.108 412 A HN 0.274 nan 8.150 nan 0.000 0.550 413 S N 2.570 118.233 115.700 -0.063 0.000 2.440 413 S HA -0.174 3.303 4.470 -1.656 0.000 0.238 413 S C 1.442 176.010 174.600 -0.054 0.000 1.010 413 S CA 1.201 59.364 58.200 -0.062 0.000 0.972 413 S CB -0.220 62.910 63.200 -0.117 0.000 0.774 413 S HN 0.751 nan 8.310 nan 0.000 0.501 414 R N -0.317 120.117 120.500 -0.109 0.000 2.317 414 R HA 0.267 3.614 4.340 -1.656 0.000 0.208 414 R C 0.062 176.374 176.300 0.020 0.000 0.914 414 R CA -0.004 56.033 56.100 -0.105 0.000 1.060 414 R CB -0.089 29.929 30.300 -0.470 0.000 1.015 414 R HN 0.446 nan 8.270 nan 0.000 0.498 415 C N 0.303 119.614 119.300 0.018 0.000 2.273 415 C HA 0.247 3.714 4.460 -1.656 0.000 0.328 415 C C 1.869 176.850 174.990 -0.015 0.000 1.275 415 C CA -0.734 58.322 59.018 0.064 0.000 1.704 415 C CB 0.735 28.580 27.740 0.176 0.000 2.326 415 C HN 0.280 nan 8.230 nan 0.000 0.517 416 V N 5.869 125.723 119.914 -0.100 0.000 3.129 416 V HA 0.185 3.312 4.120 -1.656 0.000 0.259 416 V C 1.827 177.970 176.094 0.082 0.000 1.116 416 V CA 2.266 64.413 62.300 -0.256 0.000 1.127 416 V CB -0.165 31.514 31.823 -0.239 0.000 0.742 416 V HN 1.079 nan 8.190 nan 0.000 0.474 417 G N -0.643 108.224 108.800 0.112 0.000 3.314 417 G HA2 0.027 2.994 3.960 -1.656 0.000 0.238 417 G HA3 0.027 2.994 3.960 -1.656 0.000 0.238 417 G C 1.253 176.184 174.900 0.052 0.000 1.184 417 G CA -0.307 44.865 45.100 0.119 0.000 0.806 417 G HN 0.451 nan 8.290 nan 0.000 0.536 418 R N -0.154 120.324 120.500 -0.037 0.000 2.285 418 R HA 0.111 3.458 4.340 -1.656 0.000 0.213 418 R C 2.005 177.773 176.300 -0.885 0.000 1.068 418 R CA 0.167 55.959 56.100 -0.513 0.000 1.004 418 R CB -0.167 29.925 30.300 -0.346 0.000 0.873 418 R HN 0.436 nan 8.270 nan 0.000 0.467 419 I N 0.988 121.162 120.570 -0.661 0.000 2.700 419 I HA -0.241 2.935 4.170 -1.656 0.000 0.261 419 I C 1.086 177.037 176.117 -0.277 0.000 1.219 419 I CA 1.261 62.298 61.300 -0.439 0.000 1.463 419 I CB 0.149 38.108 38.000 -0.070 0.000 1.092 419 I HN 0.226 nan 8.210 nan 0.000 0.452 420 Q N 0.422 119.998 119.800 -0.375 0.000 2.360 420 Q HA -0.079 3.267 4.340 -1.656 0.000 0.202 420 Q C 1.590 177.066 176.000 -0.873 0.000 0.915 420 Q CA 0.206 55.785 55.803 -0.374 0.000 0.943 420 Q CB -0.147 28.543 28.738 -0.081 0.000 1.064 420 Q HN 0.768 nan 8.270 nan 0.000 0.511 421 W N 1.253 121.770 121.300 -1.305 0.000 2.308 421 W HA -0.232 3.434 4.660 -1.657 0.000 0.301 421 W C 1.298 177.450 176.519 -0.611 0.000 1.220 421 W CA 1.674 58.118 57.345 -1.502 0.000 1.240 421 W CB -1.275 27.519 29.460 -1.109 0.000 1.142 421 W HN 0.177 nan 8.180 nan 0.000 0.521 422 S N 0.654 115.371 115.700 -1.639 0.000 2.527 422 S HA 0.039 3.516 4.470 -1.656 0.000 0.222 422 S C 0.791 175.068 174.600 -0.540 0.000 0.985 422 S CA 0.198 57.600 58.200 -1.330 0.000 0.921 422 S CB -0.435 61.862 63.200 -1.504 0.000 0.772 422 S HN 0.261 nan 8.310 nan 0.000 0.529 423 K N 1.433 121.627 120.400 -0.344 0.000 2.291 423 K HA 0.453 3.779 4.320 -1.656 0.000 0.242 423 K C -1.382 175.277 176.600 0.098 0.000 1.098 423 K CA -0.348 55.883 56.287 -0.094 0.000 1.036 423 K CB 0.717 33.195 32.500 -0.036 0.000 1.655 423 K HN 0.248 nan 8.250 nan 0.000 0.432 424 L N 1.757 123.024 121.223 0.073 0.000 2.439 424 L HA 0.259 3.606 4.340 -1.656 0.000 0.270 424 L C -1.065 175.772 176.870 -0.055 0.000 0.972 424 L CA -0.566 54.343 54.840 0.116 0.000 0.836 424 L CB 1.855 44.063 42.059 0.248 0.000 1.255 424 L HN 0.259 nan 8.230 nan 0.000 0.404 425 Q N 3.301 123.018 119.800 -0.139 0.000 2.293 425 Q HA 0.487 3.834 4.340 -1.656 0.000 0.263 425 Q C -1.464 174.176 176.000 -0.599 0.000 1.002 425 Q CA -0.002 55.555 55.803 -0.410 0.000 0.910 425 Q CB 1.071 29.483 28.738 -0.543 0.000 1.185 425 Q HN 0.537 nan 8.270 nan 0.000 0.401 426 V N 6.036 125.614 119.914 -0.560 0.000 2.370 426 V HA 0.404 3.531 4.120 -1.656 0.000 0.279 426 V C -0.679 175.066 176.094 -0.582 0.000 1.029 426 V CA -0.587 61.432 62.300 -0.468 0.000 0.870 426 V CB 0.441 32.112 31.823 -0.252 0.000 0.984 426 V HN 0.618 nan 8.190 nan 0.000 0.451 427 F N 2.614 122.430 119.950 -0.223 0.000 2.361 427 F HA 0.364 3.902 4.527 -1.648 0.000 0.364 427 F C 0.518 176.147 175.800 -0.286 0.000 1.120 427 F CA -1.161 56.708 58.000 -0.219 0.000 1.102 427 F CB 1.016 39.903 39.000 -0.188 0.000 1.183 427 F HN 0.440 nan 8.300 nan 0.000 0.476 428 D N 3.392 123.751 120.400 -0.068 0.000 2.402 428 D HA 0.295 3.942 4.640 -1.656 0.000 0.235 428 D C 0.307 176.432 176.300 -0.292 0.000 1.226 428 D CA 0.152 54.039 54.000 -0.187 0.000 0.918 428 D CB 0.934 41.667 40.800 -0.112 0.000 1.043 428 D HN 0.598 nan 8.370 nan 0.000 0.506 429 A N 4.632 127.084 122.820 -0.613 0.000 2.684 429 A HA 0.148 3.474 4.320 -1.656 0.000 0.288 429 A C 1.692 178.955 177.584 -0.535 0.000 1.337 429 A CA -0.384 51.027 52.037 -1.043 0.000 0.946 429 A CB -0.061 17.788 19.000 -1.917 0.000 1.093 429 A HN 0.527 nan 8.150 nan 0.000 0.543 430 R N 0.475 120.796 120.500 -0.298 0.000 2.285 430 R HA -0.092 3.255 4.340 -1.656 0.000 0.213 430 R C 0.635 176.886 176.300 -0.081 0.000 1.068 430 R CA 1.244 57.243 56.100 -0.168 0.000 1.004 430 R CB 0.046 30.291 30.300 -0.091 0.000 0.873 430 R HN 0.686 nan 8.270 nan 0.000 0.467 431 D N -0.841 119.546 120.400 -0.021 0.000 2.328 431 D HA -0.047 3.599 4.640 -1.656 0.000 0.221 431 D C 0.395 176.782 176.300 0.146 0.000 1.072 431 D CA -0.283 53.761 54.000 0.073 0.000 0.850 431 D CB -0.525 40.338 40.800 0.106 0.000 0.922 431 D HN -0.022 nan 8.370 nan 0.000 0.516 432 C N 0.884 120.265 119.300 0.135 0.000 2.689 432 C HA 0.457 3.923 4.460 -1.656 0.000 0.409 432 C C 1.785 176.965 174.990 0.317 0.000 1.293 432 C CA 0.879 60.064 59.018 0.278 0.000 2.136 432 C CB 0.250 28.184 27.740 0.323 0.000 2.719 432 C HN 0.606 nan 8.230 nan 0.000 0.644 433 T N -0.769 114.006 114.554 0.368 0.000 3.092 433 T HA 0.256 3.612 4.350 -1.656 0.000 0.273 433 T C 0.158 175.022 174.700 0.272 0.000 0.898 433 T CA 0.600 62.919 62.100 0.366 0.000 0.868 433 T CB -0.236 68.771 68.868 0.232 0.000 1.228 433 T HN 0.932 nan 8.240 nan 0.000 0.555 434 T N -1.679 113.028 114.554 0.255 0.000 2.865 434 T HA 0.815 4.172 4.350 -1.656 0.000 0.294 434 T C 1.379 176.179 174.700 0.168 0.000 1.119 434 T CA -0.172 62.035 62.100 0.179 0.000 1.007 434 T CB 1.379 70.360 68.868 0.188 0.000 1.225 434 T HN 0.129 nan 8.240 nan 0.000 0.515 435 A N -0.020 122.892 122.820 0.153 0.000 1.930 435 A HA -0.017 3.310 4.320 -1.656 0.000 0.217 435 A C 1.972 179.570 177.584 0.023 0.000 1.175 435 A CA 1.778 53.889 52.037 0.123 0.000 0.627 435 A CB -1.435 17.701 19.000 0.227 0.000 0.815 435 A HN 0.988 nan 8.150 nan 0.000 0.443 436 H N -0.732 118.436 119.070 0.163 0.000 2.389 436 H HA 0.013 5.119 4.556 0.916 0.000 0.299 436 H C 2.363 177.714 175.328 0.039 0.000 1.081 436 H CA 1.475 57.570 56.048 0.079 0.000 1.345 436 H CB -0.262 29.625 29.762 0.208 0.000 1.393 436 H HN 0.480 nan 8.280 nan 0.000 0.520 437 G N 0.022 108.951 108.800 0.215 0.000 2.421 437 G HA2 -0.255 2.712 3.960 -1.656 0.000 0.216 437 G HA3 -0.255 2.712 3.960 -1.656 0.000 0.216 437 G C 1.621 176.668 174.900 0.246 0.000 1.171 437 G CA 0.934 46.161 45.100 0.211 0.000 0.775 437 G HN 0.284 nan 8.290 nan 0.000 0.543 438 M N -0.480 119.208 119.600 0.147 0.000 2.117 438 M HA 0.040 3.527 4.480 -1.656 0.000 0.262 438 M C 2.307 178.615 176.300 0.014 0.000 1.065 438 M CA 1.249 56.567 55.300 0.031 0.000 1.114 438 M CB -0.397 32.005 32.600 -0.330 0.000 1.361 438 M HN 0.301 nan 8.290 nan 0.000 0.408 439 F N 1.359 121.089 119.950 -0.366 0.000 2.126 439 F HA -0.291 3.330 4.527 -1.510 0.000 0.299 439 F C 2.105 177.779 175.800 -0.209 0.000 1.096 439 F CA 1.983 59.676 58.000 -0.510 0.000 1.255 439 F CB -0.273 37.978 39.000 -1.247 0.000 0.997 439 F HN 0.175 nan 8.300 nan 0.000 0.479 440 N N -0.334 118.212 118.700 -0.256 0.000 2.058 440 N HA -0.259 3.487 4.740 -1.656 0.000 0.191 440 N C 1.845 177.189 175.510 -0.276 0.000 1.037 440 N CA 2.159 55.025 53.050 -0.307 0.000 0.848 440 N CB -0.855 37.535 38.487 -0.163 0.000 1.021 440 N HN 0.480 nan 8.380 nan 0.000 0.422 441 Y N 0.447 120.685 120.300 -0.104 0.000 2.165 441 Y HA -0.106 3.446 4.550 -1.664 0.000 0.286 441 Y C 2.237 178.064 175.900 -0.120 0.000 1.155 441 Y CA 1.263 59.312 58.100 -0.084 0.000 1.164 441 Y CB -0.143 38.373 38.460 0.094 0.000 0.978 441 Y HN 0.128 nan 8.280 nan 0.000 0.513 442 I N -1.529 119.086 120.570 0.074 0.000 2.315 442 I HA -0.346 2.831 4.170 -1.656 0.000 0.248 442 I C 2.248 178.265 176.117 -0.166 0.000 1.117 442 I CA 0.838 62.117 61.300 -0.036 0.000 1.404 442 I CB -0.436 37.529 38.000 -0.058 0.000 1.071 442 I HN 0.331 nan 8.210 nan 0.000 0.419 443 C N 0.668 119.746 119.300 -0.370 0.000 2.429 443 C HA -0.123 3.343 4.460 -1.656 0.000 0.277 443 C C 2.599 177.475 174.990 -0.190 0.000 1.262 443 C CA 0.759 59.568 59.018 -0.348 0.000 1.733 443 C CB -1.398 26.020 27.740 -0.537 0.000 2.010 443 C HN 0.547 nan 8.230 nan 0.000 0.483 444 N N 0.016 118.587 118.700 -0.214 0.000 2.166 444 N HA -0.142 3.605 4.740 -1.656 0.000 0.186 444 N C 1.428 176.837 175.510 -0.169 0.000 1.019 444 N CA 1.472 54.394 53.050 -0.213 0.000 0.856 444 N CB -0.795 37.496 38.487 -0.325 0.000 0.993 444 N HN 0.766 nan 8.380 nan 0.000 0.426 445 H N 0.300 119.214 119.070 -0.259 0.000 2.293 445 H HA -0.017 3.546 4.556 -1.655 0.000 0.300 445 H C 1.880 177.239 175.328 0.052 0.000 1.082 445 H CA 1.736 57.720 56.048 -0.106 0.000 1.308 445 H CB -0.008 29.736 29.762 -0.029 0.000 1.375 445 H HN -0.105 nan 8.280 nan 0.000 0.495 446 V N 1.054 121.115 119.914 0.245 0.000 2.282 446 V HA -0.305 2.822 4.120 -1.656 0.000 0.249 446 V C 2.508 178.669 176.094 0.113 0.000 1.057 446 V CA 2.378 64.771 62.300 0.156 0.000 1.032 446 V CB -0.591 31.242 31.823 0.017 0.000 0.645 446 V HN 0.449 nan 8.190 nan 0.000 0.447 447 K N -1.002 119.435 120.400 0.063 0.000 2.057 447 K HA -0.231 3.096 4.320 -1.656 0.000 0.206 447 K C 2.263 178.902 176.600 0.065 0.000 1.050 447 K CA 1.812 58.124 56.287 0.041 0.000 0.935 447 K CB -0.363 32.141 32.500 0.007 0.000 0.715 447 K HN 0.526 nan 8.250 nan 0.000 0.439 448 Y N 0.716 121.026 120.300 0.016 0.000 2.145 448 Y HA -0.179 3.376 4.550 -1.658 0.000 0.286 448 Y C 1.965 177.918 175.900 0.088 0.000 1.145 448 Y CA 1.750 59.888 58.100 0.065 0.000 1.148 448 Y CB -0.417 38.128 38.460 0.142 0.000 0.981 448 Y HN 0.157 nan 8.280 nan 0.000 0.507 449 A N -0.788 122.112 122.820 0.132 0.000 1.898 449 A HA -0.133 3.194 4.320 -1.656 0.000 0.216 449 A C 2.206 179.806 177.584 0.026 0.000 1.181 449 A CA 2.087 54.175 52.037 0.084 0.000 0.620 449 A CB -1.273 17.865 19.000 0.230 0.000 0.819 449 A HN 0.503 nan 8.150 nan 0.000 0.442 450 T N -0.042 114.539 114.554 0.044 0.000 2.708 450 T HA -0.131 3.226 4.350 -1.656 0.000 0.266 450 T C 1.102 175.790 174.700 -0.019 0.000 1.037 450 T CA 1.338 63.460 62.100 0.038 0.000 1.146 450 T CB -0.449 68.444 68.868 0.042 0.000 0.865 450 T HN 0.638 nan 8.240 nan 0.000 0.435 451 N N 1.320 119.977 118.700 -0.073 0.000 2.707 451 N HA -0.227 3.520 4.740 -1.656 0.000 0.253 451 N C -0.486 174.988 175.510 -0.060 0.000 0.998 451 N CA 0.651 53.638 53.050 -0.104 0.000 0.751 451 N CB -1.552 36.829 38.487 -0.177 0.000 0.920 451 N HN 0.577 nan 8.380 nan 0.000 0.539 452 K N -2.017 118.361 120.400 -0.037 0.000 3.035 452 K HA -0.227 3.100 4.320 -1.656 0.000 0.262 452 K C 1.098 177.679 176.600 -0.032 0.000 1.024 452 K CA 0.957 57.226 56.287 -0.030 0.000 0.748 452 K CB -1.743 30.738 32.500 -0.033 0.000 1.247 452 K HN 0.925 nan 8.250 nan 0.000 0.482 453 G N 0.531 109.319 108.800 -0.020 0.000 2.284 453 G HA2 -0.365 2.602 3.960 -1.656 0.000 0.230 453 G HA3 -0.365 2.602 3.960 -1.656 0.000 0.230 453 G C -0.045 174.841 174.900 -0.023 0.000 1.021 453 G CA 0.213 45.303 45.100 -0.016 0.000 0.619 453 G HN 0.541 nan 8.290 nan 0.000 0.510 454 N N 1.543 120.214 118.700 -0.047 0.000 2.968 454 N HA 0.417 4.164 4.740 -1.656 0.000 0.271 454 N C 0.710 176.182 175.510 -0.062 0.000 1.174 454 N CA -0.504 52.499 53.050 -0.078 0.000 1.096 454 N CB -0.246 38.192 38.487 -0.083 0.000 1.403 454 N HN 0.400 nan 8.380 nan 0.000 0.522 455 L N 2.077 123.292 121.223 -0.013 0.000 2.543 455 L HA 0.047 3.393 4.340 -1.656 0.000 0.285 455 L C 0.584 177.557 176.870 0.171 0.000 1.236 455 L CA 0.540 55.444 54.840 0.107 0.000 0.871 455 L CB 0.168 42.394 42.059 0.279 0.000 1.121 455 L HN 0.391 nan 8.230 nan 0.000 0.501 456 R N 1.625 122.223 120.500 0.165 0.000 2.575 456 R HA 0.348 3.695 4.340 -1.656 0.000 0.293 456 R C -0.775 175.665 176.300 0.233 0.000 0.983 456 R CA -0.668 55.551 56.100 0.199 0.000 0.887 456 R CB 2.081 32.363 30.300 -0.030 0.000 1.184 456 R HN 0.558 nan 8.270 nan 0.000 0.445 457 S N 1.434 117.280 115.700 0.242 0.000 2.549 457 S HA 0.469 3.946 4.470 -1.656 0.000 0.283 457 S C -0.246 174.383 174.600 0.049 0.000 1.320 457 S CA -0.125 58.116 58.200 0.068 0.000 1.058 457 S CB 1.146 64.351 63.200 0.008 0.000 0.882 457 S HN 0.699 nan 8.310 nan 0.000 0.498 458 A N 2.532 125.329 122.820 -0.037 0.000 2.610 458 A HA 0.819 4.146 4.320 -1.656 0.000 0.291 458 A C -1.363 176.200 177.584 -0.035 0.000 1.086 458 A CA -0.670 51.279 52.037 -0.146 0.000 0.677 458 A CB 1.144 19.997 19.000 -0.245 0.000 1.278 458 A HN 0.800 nan 8.150 nan 0.000 0.414 459 I N 0.231 120.781 120.570 -0.034 0.000 2.752 459 I HA 0.644 3.820 4.170 -1.656 0.000 0.295 459 I C -1.196 175.006 176.117 0.143 0.000 1.219 459 I CA -0.074 61.336 61.300 0.184 0.000 1.030 459 I CB 2.400 40.450 38.000 0.084 0.000 1.259 459 I HN 0.597 nan 8.210 nan 0.000 0.423 460 T N 7.852 122.532 114.554 0.211 0.000 2.786 460 T HA 0.568 3.924 4.350 -1.656 0.000 0.283 460 T C -0.379 174.106 174.700 -0.358 0.000 0.992 460 T CA -0.237 61.841 62.100 -0.037 0.000 0.954 460 T CB 0.889 69.750 68.868 -0.012 0.000 0.934 460 T HN 0.301 nan 8.240 nan 0.000 0.440 461 I N 4.419 124.693 120.570 -0.493 0.000 2.330 461 I HA 0.374 3.550 4.170 -1.656 0.000 0.286 461 I C -0.339 175.406 176.117 -0.620 0.000 1.025 461 I CA -0.643 60.358 61.300 -0.499 0.000 1.197 461 I CB 0.487 38.176 38.000 -0.520 0.000 1.358 461 I HN 0.462 nan 8.210 nan 0.000 0.467 462 F N 6.756 126.577 119.950 -0.215 0.000 2.390 462 F HA 0.359 3.900 4.527 -1.645 0.000 0.307 462 F C -1.781 173.848 175.800 -0.285 0.000 1.227 462 F CA -2.158 55.636 58.000 -0.343 0.000 1.179 462 F CB -0.343 38.470 39.000 -0.313 0.000 1.280 462 F HN 0.241 nan 8.300 nan 0.000 0.548 463 P HA -0.014 nan 4.420 nan 0.000 0.265 463 P C -0.992 176.296 177.300 -0.020 0.000 1.187 463 P CA -0.102 62.837 63.100 -0.268 0.000 0.766 463 P CB 0.189 31.553 31.700 -0.560 0.000 0.820 464 Q N 2.814 122.600 119.800 -0.023 0.000 2.443 464 Q HA 0.169 3.516 4.340 -1.656 0.000 0.232 464 Q C 0.155 176.070 176.000 -0.142 0.000 1.026 464 Q CA -0.628 54.972 55.803 -0.339 0.000 0.924 464 Q CB 0.708 28.984 28.738 -0.771 0.000 1.256 464 Q HN 0.313 nan 8.270 nan 0.000 0.519 465 R N 0.065 120.452 120.500 -0.188 0.000 2.643 465 R HA 0.054 3.401 4.340 -1.656 0.000 0.270 465 R C 0.142 176.405 176.300 -0.063 0.000 1.061 465 R CA 0.975 57.040 56.100 -0.059 0.000 1.107 465 R CB 0.582 30.839 30.300 -0.072 0.000 0.999 465 R HN 0.985 nan 8.270 nan 0.000 0.460 466 T N -1.230 113.324 114.554 -0.001 0.000 3.409 466 T HA 0.013 3.369 4.350 -1.656 0.000 0.188 466 T C 0.829 175.527 174.700 -0.003 0.000 0.929 466 T CA 0.131 62.219 62.100 -0.020 0.000 1.184 466 T CB -0.301 68.542 68.868 -0.042 0.000 1.570 466 T HN 0.699 nan 8.240 nan 0.000 0.367 467 D N 1.271 121.684 120.400 0.023 0.000 2.342 467 D HA 0.252 3.898 4.640 -1.656 0.000 0.221 467 D C 1.633 177.985 176.300 0.087 0.000 1.101 467 D CA 0.671 54.702 54.000 0.051 0.000 0.837 467 D CB -0.396 40.443 40.800 0.066 0.000 0.938 467 D HN 0.963 nan 8.370 nan 0.000 0.508 468 G N 1.303 110.152 108.800 0.082 0.000 2.228 468 G HA2 -0.395 2.572 3.960 -1.656 0.000 0.270 468 G HA3 -0.395 2.572 3.960 -1.656 0.000 0.270 468 G C 1.114 176.065 174.900 0.084 0.000 0.976 468 G CA 0.664 45.804 45.100 0.066 0.000 0.636 468 G HN 0.479 nan 8.290 nan 0.000 0.542 469 K N -0.373 120.119 120.400 0.153 0.000 2.358 469 K HA 0.197 3.524 4.320 -1.656 0.000 0.197 469 K C 0.198 176.764 176.600 -0.057 0.000 1.025 469 K CA 0.177 56.512 56.287 0.081 0.000 1.104 469 K CB 0.312 32.865 32.500 0.088 0.000 0.855 469 K HN 0.535 nan 8.250 nan 0.000 0.531 470 H N 0.284 119.355 119.070 0.003 0.000 2.471 470 H HA 0.220 3.783 4.556 -1.656 0.000 0.234 470 H C -1.290 174.032 175.328 -0.010 0.000 1.388 470 H CA -0.846 55.187 56.048 -0.025 0.000 1.198 470 H CB 0.175 29.940 29.762 0.006 0.000 1.714 470 H HN -0.053 nan 8.280 nan 0.000 0.536 471 D N 0.415 120.844 120.400 0.048 0.000 2.210 471 D HA 0.164 3.811 4.640 -1.656 0.000 0.249 471 D C -0.097 176.221 176.300 0.031 0.000 1.062 471 D CA -0.214 53.843 54.000 0.095 0.000 0.891 471 D CB 0.878 41.714 40.800 0.059 0.000 1.186 471 D HN 0.119 nan 8.370 nan 0.000 0.432 472 F N 2.109 122.080 119.950 0.035 0.000 2.404 472 F HA 0.433 3.961 4.527 -1.664 0.000 0.345 472 F C 0.938 176.745 175.800 0.012 0.000 1.110 472 F CA -0.264 57.740 58.000 0.005 0.000 1.130 472 F CB 0.871 39.883 39.000 0.021 0.000 1.129 472 F HN -0.153 nan 8.300 nan 0.000 0.500 473 R N 1.832 122.422 120.500 0.151 0.000 2.626 473 R HA 0.525 3.872 4.340 -1.656 0.000 0.274 473 R C -1.770 174.644 176.300 0.190 0.000 1.031 473 R CA -0.939 55.246 56.100 0.142 0.000 0.898 473 R CB 2.087 32.441 30.300 0.091 0.000 1.222 473 R HN 0.365 nan 8.270 nan 0.000 0.455 474 V N 2.757 122.767 119.914 0.159 0.000 2.370 474 V HA 0.182 3.309 4.120 -1.656 0.000 0.279 474 V C 0.322 176.588 176.094 0.286 0.000 1.029 474 V CA -0.461 61.945 62.300 0.177 0.000 0.870 474 V CB 1.348 33.211 31.823 0.067 0.000 0.984 474 V HN 0.741 nan 8.190 nan 0.000 0.451 475 W N 2.309 123.661 121.300 0.086 0.000 2.519 475 W HA 0.025 3.707 4.660 -1.630 0.000 0.266 475 W C 1.033 177.610 176.519 0.096 0.000 1.253 475 W CA -0.283 57.205 57.345 0.238 0.000 1.274 475 W CB -0.664 29.072 29.460 0.459 0.000 1.114 475 W HN 0.528 nan 8.180 nan 0.000 0.596 476 N N -0.143 118.594 118.700 0.062 0.000 2.415 476 N HA 0.013 3.759 4.740 -1.656 0.000 0.248 476 N C 1.368 176.699 175.510 -0.298 0.000 1.271 476 N CA 0.879 53.639 53.050 -0.484 0.000 0.913 476 N CB 0.634 38.945 38.487 -0.294 0.000 1.129 476 N HN -0.121 nan 8.380 nan 0.000 0.444 477 S N 0.146 115.639 115.700 -0.346 0.000 2.406 477 S HA 0.009 3.486 4.470 -1.656 0.000 0.224 477 S C 0.299 174.784 174.600 -0.192 0.000 1.030 477 S CA 0.549 58.640 58.200 -0.181 0.000 0.958 477 S CB 0.041 63.180 63.200 -0.100 0.000 0.811 477 S HN 0.627 nan 8.310 nan 0.000 0.489 478 Q N -0.487 119.180 119.800 -0.222 0.000 2.423 478 Q HA 0.530 3.877 4.340 -1.656 0.000 0.278 478 Q C 0.281 176.116 176.000 -0.275 0.000 1.097 478 Q CA -0.521 55.138 55.803 -0.240 0.000 0.809 478 Q CB 2.076 30.711 28.738 -0.172 0.000 1.391 478 Q HN 0.110 nan 8.270 nan 0.000 0.428 479 L N 0.621 121.672 121.223 -0.287 0.000 2.046 479 L HA -0.029 3.317 4.340 -1.656 0.000 0.208 479 L C 0.540 177.232 176.870 -0.297 0.000 1.077 479 L CA 1.354 56.041 54.840 -0.255 0.000 0.747 479 L CB -0.004 41.901 42.059 -0.256 0.000 0.896 479 L HN 0.503 nan 8.230 nan 0.000 0.432 480 I N -0.100 120.194 120.570 -0.459 0.000 2.410 480 I HA 0.327 3.504 4.170 -1.656 0.000 0.286 480 I C -0.299 175.202 176.117 -1.026 0.000 1.009 480 I CA -0.281 60.602 61.300 -0.695 0.000 1.111 480 I CB 1.338 38.831 38.000 -0.844 0.000 1.262 480 I HN 0.089 nan 8.210 nan 0.000 0.443 481 R N 4.304 124.400 120.500 -0.673 0.000 2.781 481 R HA 0.530 3.877 4.340 -1.656 0.000 0.269 481 R C -1.645 174.452 176.300 -0.339 0.000 1.025 481 R CA -1.046 54.775 56.100 -0.465 0.000 0.914 481 R CB 2.379 32.584 30.300 -0.159 0.000 1.236 481 R HN 0.357 nan 8.270 nan 0.000 0.465 482 Y N 0.056 120.436 120.300 0.133 0.000 2.352 482 Y HA 0.510 4.066 4.550 -1.656 0.000 0.326 482 Y C 0.717 176.710 175.900 0.154 0.000 1.166 482 Y CA -0.893 57.324 58.100 0.195 0.000 1.182 482 Y CB 1.687 40.347 38.460 0.334 0.000 1.216 482 Y HN 0.622 nan 8.280 nan 0.000 0.474 483 A N 1.430 124.432 122.820 0.304 0.000 2.366 483 A HA 0.623 3.949 4.320 -1.656 0.000 0.249 483 A C 0.323 177.823 177.584 -0.141 0.000 1.084 483 A CA 0.145 52.206 52.037 0.040 0.000 0.794 483 A CB -0.082 18.937 19.000 0.032 0.000 1.034 483 A HN 0.886 nan 8.150 nan 0.000 0.491 484 G N -0.158 108.441 108.800 -0.335 0.000 2.626 484 G HA2 0.575 3.541 3.960 -1.656 0.000 0.304 484 G HA3 0.575 3.541 3.960 -1.656 0.000 0.304 484 G C -1.332 173.322 174.900 -0.410 0.000 1.385 484 G CA -0.253 44.686 45.100 -0.269 0.000 0.957 484 G HN 0.518 nan 8.290 nan 0.000 0.504 485 Y N 0.917 121.246 120.300 0.048 0.000 2.350 485 Y HA 0.449 4.004 4.550 -1.658 0.000 0.338 485 Y C 0.551 176.455 175.900 0.007 0.000 0.961 485 Y CA -0.977 57.142 58.100 0.032 0.000 1.100 485 Y CB 2.448 40.925 38.460 0.027 0.000 1.179 485 Y HN 0.260 nan 8.280 nan 0.000 0.454 486 K N 4.216 124.701 120.400 0.143 0.000 2.250 486 K HA 0.218 3.545 4.320 -1.656 0.000 0.285 486 K C -0.338 176.303 176.600 0.068 0.000 1.097 486 K CA -0.272 56.062 56.287 0.079 0.000 0.913 486 K CB 0.555 33.084 32.500 0.049 0.000 1.179 486 K HN 0.745 nan 8.250 nan 0.000 0.462 487 Q N 2.897 122.728 119.800 0.052 0.000 2.407 487 Q HA 0.085 3.432 4.340 -1.656 0.000 0.214 487 Q C -1.261 174.748 176.000 0.014 0.000 1.043 487 Q CA -1.618 54.201 55.803 0.027 0.000 0.983 487 Q CB 0.263 29.010 28.738 0.015 0.000 1.211 487 Q HN 0.375 nan 8.270 nan 0.000 0.564 488 P HA -0.171 nan 4.420 nan 0.000 0.220 488 P C 0.483 177.784 177.300 0.001 0.000 1.152 488 P CA 1.224 64.325 63.100 0.001 0.000 0.812 488 P CB 0.113 31.810 31.700 -0.005 0.000 0.792 489 D N 0.075 120.475 120.400 0.000 0.000 2.420 489 D HA -0.072 3.574 4.640 -1.656 0.000 0.233 489 D C 1.648 177.949 176.300 0.003 0.000 1.017 489 D CA 1.261 55.261 54.000 -0.000 0.000 0.951 489 D CB -1.014 39.785 40.800 -0.002 0.000 0.877 489 D HN 0.281 nan 8.370 nan 0.000 0.528 490 G N -0.265 108.538 108.800 0.006 0.000 2.353 490 G HA2 -0.374 2.592 3.960 -1.656 0.000 0.258 490 G HA3 -0.374 2.592 3.960 -1.656 0.000 0.258 490 G C 0.647 175.553 174.900 0.010 0.000 1.013 490 G CA 1.157 46.262 45.100 0.009 0.000 0.622 490 G HN 0.746 nan 8.290 nan 0.000 0.535 491 S N -0.435 115.270 115.700 0.007 0.000 2.606 491 S HA 0.577 4.053 4.470 -1.656 0.000 0.257 491 S C 0.105 174.711 174.600 0.009 0.000 1.327 491 S CA 0.857 59.060 58.200 0.005 0.000 0.984 491 S CB 1.437 64.637 63.200 0.001 0.000 0.941 491 S HN 0.753 nan 8.310 nan 0.000 0.576 492 T N 1.475 116.029 114.554 -0.000 0.000 2.824 492 T HA 0.488 3.845 4.350 -1.656 0.000 0.282 492 T C -0.860 173.836 174.700 -0.006 0.000 0.993 492 T CA -0.537 61.565 62.100 0.003 0.000 0.967 492 T CB 1.130 69.986 68.868 -0.019 0.000 0.960 492 T HN 0.585 nan 8.240 nan 0.000 0.441 493 L N 3.936 125.193 121.223 0.056 0.000 2.276 493 L HA 0.693 4.040 4.340 -1.656 0.000 0.286 493 L C 0.775 177.695 176.870 0.084 0.000 1.061 493 L CA 1.240 56.127 54.840 0.079 0.000 0.807 493 L CB -0.310 41.841 42.059 0.153 0.000 1.177 493 L HN 0.993 nan 8.230 nan 0.000 0.429 494 G N 4.083 112.842 108.800 -0.068 0.000 2.488 494 G HA2 -0.240 2.726 3.960 -1.656 0.000 0.237 494 G HA3 -0.240 2.726 3.960 -1.656 0.000 0.237 494 G C -0.637 173.988 174.900 -0.457 0.000 1.209 494 G CA 0.037 45.047 45.100 -0.149 0.000 0.929 494 G HN 0.809 nan 8.290 nan 0.000 0.578 495 D N 1.832 122.122 120.400 -0.183 0.000 2.380 495 D HA 0.526 4.172 4.640 -1.656 0.000 0.230 495 D C -0.949 175.325 176.300 -0.044 0.000 1.154 495 D CA -1.851 52.068 54.000 -0.135 0.000 0.859 495 D CB 1.309 42.347 40.800 0.396 0.000 1.045 495 D HN -0.019 nan 8.370 nan 0.000 0.495 496 P HA -0.143 nan 4.420 nan 0.000 0.217 496 P C 1.003 178.326 177.300 0.039 0.000 1.148 496 P CA 1.198 64.285 63.100 -0.021 0.000 0.828 496 P CB 0.251 31.935 31.700 -0.026 0.000 0.783 497 A N -0.491 122.379 122.820 0.084 0.000 2.024 497 A HA -0.185 3.141 4.320 -1.656 0.000 0.220 497 A C 1.864 179.518 177.584 0.118 0.000 1.164 497 A CA 1.645 53.752 52.037 0.117 0.000 0.643 497 A CB -0.950 18.148 19.000 0.164 0.000 0.806 497 A HN 0.192 nan 8.150 nan 0.000 0.451 498 N N -0.602 118.165 118.700 0.111 0.000 2.205 498 N HA 0.088 3.835 4.740 -1.656 0.000 0.201 498 N C 1.386 176.936 175.510 0.067 0.000 1.128 498 N CA 0.530 53.651 53.050 0.118 0.000 0.867 498 N CB 0.335 38.908 38.487 0.143 0.000 0.996 498 N HN 0.201 nan 8.380 nan 0.000 0.503 499 V N 1.987 121.911 119.914 0.017 0.000 2.236 499 V HA -0.369 2.757 4.120 -1.656 0.000 0.255 499 V C 2.699 178.773 176.094 -0.033 0.000 1.068 499 V CA 2.249 64.534 62.300 -0.026 0.000 1.044 499 V CB -0.618 31.204 31.823 -0.002 0.000 0.653 499 V HN 0.408 nan 8.190 nan 0.000 0.448 500 Q N -0.947 118.842 119.800 -0.017 0.000 2.002 500 Q HA -0.275 3.072 4.340 -1.656 0.000 0.204 500 Q C 2.181 178.067 176.000 -0.189 0.000 0.988 500 Q CA 2.560 58.310 55.803 -0.088 0.000 0.843 500 Q CB -0.364 28.334 28.738 -0.067 0.000 0.908 500 Q HN 0.596 nan 8.270 nan 0.000 0.420 501 F N 1.355 121.112 119.950 -0.321 0.000 2.091 501 F HA -0.233 3.296 4.527 -1.662 0.000 0.299 501 F C 2.150 177.831 175.800 -0.199 0.000 1.103 501 F CA 2.187 59.968 58.000 -0.365 0.000 1.228 501 F CB -0.780 38.098 39.000 -0.203 0.000 0.984 501 F HN 0.091 nan 8.300 nan 0.000 0.477 502 T N 0.174 114.651 114.554 -0.128 0.000 2.737 502 T HA -0.250 3.106 4.350 -1.656 0.000 0.269 502 T C 1.720 176.343 174.700 -0.128 0.000 1.040 502 T CA 1.988 63.991 62.100 -0.161 0.000 1.142 502 T CB -0.377 68.392 68.868 -0.166 0.000 0.861 502 T HN 0.468 nan 8.240 nan 0.000 0.456 503 E N 0.348 120.469 120.200 -0.131 0.000 2.112 503 E HA 0.057 3.414 4.350 -1.656 0.000 0.190 503 E C 2.148 178.671 176.600 -0.129 0.000 0.979 503 E CA 0.601 56.954 56.400 -0.079 0.000 0.814 503 E CB -0.170 29.491 29.700 -0.064 0.000 0.762 503 E HN 0.483 nan 8.360 nan 0.000 0.460 504 I N 0.850 121.275 120.570 -0.242 0.000 2.567 504 I HA -0.268 2.909 4.170 -1.656 0.000 0.257 504 I C 2.079 178.068 176.117 -0.214 0.000 1.184 504 I CA 0.402 61.579 61.300 -0.205 0.000 1.451 504 I CB -0.233 37.620 38.000 -0.245 0.000 1.089 504 I HN 0.255 nan 8.210 nan 0.000 0.441 505 C N 0.627 119.736 119.300 -0.317 0.000 2.518 505 C HA -0.036 3.431 4.460 -1.656 0.000 0.279 505 C C 2.684 177.678 174.990 0.006 0.000 1.279 505 C CA 0.159 59.038 59.018 -0.231 0.000 1.703 505 C CB -0.584 26.958 27.740 -0.330 0.000 2.072 505 C HN 0.400 nan 8.230 nan 0.000 0.487 506 I N 0.989 121.609 120.570 0.082 0.000 2.118 506 I HA -0.332 2.845 4.170 -1.656 0.000 0.241 506 I C 2.754 178.878 176.117 0.011 0.000 1.070 506 I CA 1.969 63.323 61.300 0.091 0.000 1.327 506 I CB -0.787 37.261 38.000 0.080 0.000 1.034 506 I HN 0.471 nan 8.210 nan 0.000 0.405 507 Q N 0.452 120.237 119.800 -0.025 0.000 2.449 507 Q HA -0.238 3.109 4.340 -1.656 0.000 0.214 507 Q C 1.618 177.584 176.000 -0.057 0.000 0.986 507 Q CA 1.212 56.983 55.803 -0.053 0.000 0.893 507 Q CB 0.175 28.871 28.738 -0.071 0.000 0.940 507 Q HN 0.532 nan 8.270 nan 0.000 0.477 508 Q N -2.077 117.700 119.800 -0.039 0.000 2.217 508 Q HA 0.188 3.535 4.340 -1.656 0.000 0.217 508 Q C 0.934 176.916 176.000 -0.031 0.000 0.844 508 Q CA 0.836 56.617 55.803 -0.037 0.000 0.957 508 Q CB 1.848 30.552 28.738 -0.056 0.000 1.127 508 Q HN 0.510 nan 8.270 nan 0.000 0.503 509 G N -0.188 108.611 108.800 -0.002 0.000 2.797 509 G HA2 -0.202 2.765 3.960 -1.656 0.000 0.195 509 G HA3 -0.202 2.765 3.960 -1.656 0.000 0.195 509 G C -0.374 174.565 174.900 0.066 0.000 1.026 509 G CA -0.394 44.710 45.100 0.006 0.000 0.759 509 G HN 0.210 nan 8.290 nan 0.000 0.475 510 W N 3.667 124.908 121.300 -0.098 0.000 2.477 510 W HA 0.413 4.075 4.660 -1.663 0.000 0.339 510 W C 0.496 176.993 176.519 -0.036 0.000 1.195 510 W CA 0.594 57.896 57.345 -0.071 0.000 1.324 510 W CB 0.436 29.853 29.460 -0.073 0.000 1.170 510 W HN 0.114 nan 8.180 nan 0.000 0.570 511 K N 6.275 126.330 120.400 -0.574 0.000 2.385 511 K HA 0.471 3.797 4.320 -1.656 0.000 0.229 511 K C 0.200 176.178 176.600 -1.038 0.000 1.089 511 K CA -0.500 55.443 56.287 -0.574 0.000 1.060 511 K CB 0.035 32.335 32.500 -0.334 0.000 1.698 511 K HN 0.480 nan 8.250 nan 0.000 0.469 512 A N 2.596 124.709 122.820 -1.179 0.000 2.584 512 A HA 0.050 3.376 4.320 -1.656 0.000 0.239 512 A C -1.570 175.640 177.584 -0.624 0.000 1.043 512 A CA -0.642 50.646 52.037 -1.249 0.000 0.756 512 A CB -0.041 18.793 19.000 -0.277 0.000 0.963 512 A HN 0.418 nan 8.150 nan 0.000 0.511 513 P HA 0.080 nan 4.420 nan 0.000 0.249 513 P C -0.134 177.021 177.300 -0.242 0.000 1.229 513 P CA -0.210 62.753 63.100 -0.229 0.000 0.788 513 P CB 0.124 31.784 31.700 -0.067 0.000 1.072 514 R N -0.252 119.988 120.500 -0.434 0.000 2.974 514 R HA -0.111 3.235 4.340 -1.656 0.000 0.258 514 R C 0.477 176.590 176.300 -0.312 0.000 0.892 514 R CA 0.485 56.094 56.100 -0.818 0.000 0.664 514 R CB -1.931 27.941 30.300 -0.714 0.000 1.478 514 R HN 0.331 nan 8.270 nan 0.000 0.498 515 G N -0.627 108.160 108.800 -0.021 0.000 3.042 515 G HA2 0.416 3.383 3.960 -1.656 0.000 0.278 515 G HA3 0.416 3.383 3.960 -1.656 0.000 0.278 515 G C 0.144 175.133 174.900 0.148 0.000 1.371 515 G CA -0.630 44.516 45.100 0.077 0.000 1.009 515 G HN 0.287 nan 8.290 nan 0.000 0.523 516 R N -1.386 119.153 120.500 0.065 0.000 2.161 516 R HA 0.178 3.525 4.340 -1.656 0.000 0.213 516 R C -0.100 175.985 176.300 -0.360 0.000 1.055 516 R CA 0.719 56.742 56.100 -0.129 0.000 0.996 516 R CB -0.063 30.107 30.300 -0.215 0.000 0.901 516 R HN 0.352 nan 8.270 nan 0.000 0.456 517 F N 1.368 121.333 119.950 0.024 0.000 2.564 517 F HA 0.275 3.807 4.527 -1.658 0.000 0.329 517 F C -1.098 174.728 175.800 0.043 0.000 1.458 517 F CA -1.101 56.698 58.000 -0.334 0.000 1.117 517 F CB 0.989 39.566 39.000 -0.704 0.000 1.383 517 F HN -0.225 nan 8.300 nan 0.000 0.571 518 D N 1.794 122.467 120.400 0.455 0.000 2.339 518 D HA 0.170 3.817 4.640 -1.656 0.000 0.241 518 D C 0.198 176.856 176.300 0.596 0.000 1.183 518 D CA -0.002 54.323 54.000 0.541 0.000 0.859 518 D CB 1.987 43.170 40.800 0.638 0.000 1.067 518 D HN -0.020 nan 8.370 nan 0.000 0.484 519 V N 3.924 124.141 119.914 0.504 0.000 2.475 519 V HA -0.079 3.047 4.120 -1.656 0.000 0.292 519 V C 1.229 177.396 176.094 0.121 0.000 1.003 519 V CA -0.042 62.419 62.300 0.268 0.000 1.120 519 V CB -0.272 31.657 31.823 0.176 0.000 0.937 519 V HN 0.373 nan 8.190 nan 0.000 0.476 520 L N 8.329 129.525 121.223 -0.046 0.000 2.479 520 L HA 0.261 3.608 4.340 -1.656 0.000 0.270 520 L C -1.689 174.984 176.870 -0.329 0.000 1.236 520 L CA -1.086 53.567 54.840 -0.311 0.000 0.823 520 L CB 0.585 42.578 42.059 -0.110 0.000 1.098 520 L HN 0.484 nan 8.230 nan 0.000 0.500 521 P HA 0.271 nan 4.420 nan 0.000 0.287 521 P C -1.091 176.141 177.300 -0.115 0.000 1.270 521 P CA -0.632 62.252 63.100 -0.360 0.000 0.844 521 P CB 1.238 32.537 31.700 -0.668 0.000 1.068 522 L N 2.087 123.331 121.223 0.035 0.000 2.417 522 L HA 0.313 3.660 4.340 -1.656 0.000 0.268 522 L C 0.771 177.725 176.870 0.139 0.000 1.158 522 L CA -0.361 54.558 54.840 0.133 0.000 0.819 522 L CB 0.201 42.378 42.059 0.196 0.000 1.112 522 L HN 0.274 nan 8.230 nan 0.000 0.458 523 L N 4.963 126.293 121.223 0.179 0.000 2.353 523 L HA 0.474 3.820 4.340 -1.656 0.000 0.270 523 L C -0.940 175.941 176.870 0.019 0.000 1.003 523 L CA -0.371 54.497 54.840 0.047 0.000 0.862 523 L CB 0.967 43.084 42.059 0.097 0.000 1.221 523 L HN 0.527 nan 8.230 nan 0.000 0.430 524 L N 4.069 125.297 121.223 0.009 0.000 2.317 524 L HA 0.513 3.860 4.340 -1.656 0.000 0.281 524 L C -0.286 176.507 176.870 -0.128 0.000 1.024 524 L CA -0.394 54.438 54.840 -0.012 0.000 0.810 524 L CB 1.863 43.942 42.059 0.033 0.000 1.240 524 L HN 0.551 nan 8.230 nan 0.000 0.427 525 Q N 2.656 122.393 119.800 -0.105 0.000 2.325 525 Q HA 0.741 4.087 4.340 -1.656 0.000 0.270 525 Q C -1.583 174.299 176.000 -0.198 0.000 1.020 525 Q CA -0.618 55.086 55.803 -0.164 0.000 0.785 525 Q CB 2.224 30.925 28.738 -0.061 0.000 1.259 525 Q HN 0.780 nan 8.270 nan 0.000 0.452 526 A N 3.901 126.533 122.820 -0.312 0.000 2.355 526 A HA 0.401 3.728 4.320 -1.656 0.000 0.317 526 A C 0.113 177.208 177.584 -0.816 0.000 1.094 526 A CA -0.298 51.338 52.037 -0.669 0.000 0.764 526 A CB 0.912 19.738 19.000 -0.290 0.000 1.230 526 A HN 1.156 nan 8.150 nan 0.000 0.448 527 N N 0.645 118.435 118.700 -1.517 0.000 2.713 527 N HA -0.289 3.457 4.740 -1.656 0.000 0.251 527 N C 1.048 176.344 175.510 -0.356 0.000 1.117 527 N CA 1.559 54.189 53.050 -0.700 0.000 0.770 527 N CB -0.477 37.831 38.487 -0.298 0.000 1.137 527 N HN 2.209 nan 8.380 nan 0.000 0.566 528 G N -1.569 107.016 108.800 -0.359 0.000 2.213 528 G HA2 -0.274 2.693 3.960 -1.656 0.000 0.236 528 G HA3 -0.274 2.693 3.960 -1.656 0.000 0.236 528 G C 0.141 174.953 174.900 -0.146 0.000 0.991 528 G CA 0.252 45.218 45.100 -0.224 0.000 0.629 528 G HN 0.463 nan 8.290 nan 0.000 0.517 529 N N 1.606 120.199 118.700 -0.178 0.000 2.260 529 N HA 0.258 4.005 4.740 -1.656 0.000 0.230 529 N C -0.001 175.445 175.510 -0.106 0.000 1.323 529 N CA 0.155 53.148 53.050 -0.095 0.000 0.897 529 N CB 0.177 38.607 38.487 -0.095 0.000 1.146 529 N HN 0.268 nan 8.380 nan 0.000 0.460 530 D N 0.725 121.109 120.400 -0.027 0.000 2.400 530 D HA 0.149 3.796 4.640 -1.656 0.000 0.238 530 D C -1.868 174.259 176.300 -0.288 0.000 1.157 530 D CA -0.481 53.462 54.000 -0.096 0.000 0.889 530 D CB 0.037 40.872 40.800 0.058 0.000 1.199 530 D HN 0.306 nan 8.370 nan 0.000 0.436 531 P HA 0.224 nan 4.420 nan 0.000 0.281 531 P C -0.870 176.214 177.300 -0.362 0.000 1.249 531 P CA -0.395 62.358 63.100 -0.579 0.000 0.810 531 P CB 1.272 32.213 31.700 -1.265 0.000 1.008 532 E N 1.003 121.052 120.200 -0.252 0.000 2.277 532 E HA 0.494 3.851 4.350 -1.656 0.000 0.266 532 E C -0.475 175.921 176.600 -0.340 0.000 0.901 532 E CA -0.992 55.242 56.400 -0.278 0.000 0.782 532 E CB 1.699 31.242 29.700 -0.262 0.000 1.228 532 E HN 0.362 nan 8.360 nan 0.000 0.424 533 L N 1.984 122.907 121.223 -0.500 0.000 2.379 533 L HA 0.549 3.895 4.340 -1.656 0.000 0.269 533 L C -0.856 175.509 176.870 -0.842 0.000 1.084 533 L CA -0.452 54.127 54.840 -0.436 0.000 0.802 533 L CB 0.409 42.304 42.059 -0.273 0.000 1.175 533 L HN 0.491 nan 8.230 nan 0.000 0.448 534 F N 0.132 119.933 119.950 -0.250 0.000 2.604 534 F HA 0.262 3.154 4.527 -2.725 0.000 0.316 534 F C -0.263 175.410 175.800 -0.211 0.000 1.136 534 F CA -0.744 57.018 58.000 -0.398 0.000 0.989 534 F CB 1.850 40.416 39.000 -0.723 0.000 1.258 534 F HN 0.275 nan 8.300 nan 0.000 0.451 535 Q N 3.094 122.899 119.800 0.009 0.000 2.296 535 Q HA 0.540 3.886 4.340 -1.656 0.000 0.257 535 Q C -0.675 175.464 176.000 0.232 0.000 0.942 535 Q CA -0.164 55.708 55.803 0.115 0.000 0.939 535 Q CB 0.924 29.744 28.738 0.137 0.000 1.198 535 Q HN 0.583 nan 8.270 nan 0.000 0.429 536 I N 6.947 127.672 120.570 0.258 0.000 2.598 536 I HA 0.093 3.270 4.170 -1.656 0.000 0.284 536 I C -1.811 174.429 176.117 0.205 0.000 1.140 536 I CA -1.759 59.712 61.300 0.284 0.000 1.420 536 I CB 0.584 38.664 38.000 0.134 0.000 1.387 536 I HN 0.539 nan 8.210 nan 0.000 0.553 537 P HA -0.032 nan 4.420 nan 0.000 0.256 537 P C -1.978 175.384 177.300 0.103 0.000 1.173 537 P CA -0.610 62.579 63.100 0.149 0.000 0.768 537 P CB 0.051 31.826 31.700 0.125 0.000 0.758 538 P HA -0.255 nan 4.420 nan 0.000 0.217 538 P C 1.395 178.734 177.300 0.065 0.000 1.148 538 P CA 1.423 64.576 63.100 0.087 0.000 0.834 538 P CB -0.204 31.550 31.700 0.090 0.000 0.783 539 E N -0.186 120.049 120.200 0.059 0.000 2.338 539 E HA -0.126 3.230 4.350 -1.656 0.000 0.197 539 E C 1.596 178.216 176.600 0.033 0.000 1.007 539 E CA 1.006 57.431 56.400 0.042 0.000 0.849 539 E CB -0.966 28.757 29.700 0.038 0.000 0.774 539 E HN 0.335 nan 8.360 nan 0.000 0.506 540 L N 0.930 122.175 121.223 0.037 0.000 2.529 540 L HA 0.138 3.484 4.340 -1.656 0.000 0.223 540 L C 0.595 177.479 176.870 0.023 0.000 1.113 540 L CA -0.067 54.786 54.840 0.023 0.000 0.861 540 L CB 0.610 42.677 42.059 0.012 0.000 1.012 540 L HN -0.118 nan 8.230 nan 0.000 0.461 541 V N 2.487 122.420 119.914 0.031 0.000 2.304 541 V HA 0.124 3.251 4.120 -1.656 0.000 0.262 541 V C 0.069 176.187 176.094 0.040 0.000 1.061 541 V CA -0.508 61.809 62.300 0.028 0.000 0.872 541 V CB 1.071 32.910 31.823 0.028 0.000 1.077 541 V HN 0.062 nan 8.190 nan 0.000 0.480 542 L N 5.839 127.086 121.223 0.040 0.000 2.360 542 L HA 0.425 3.771 4.340 -1.656 0.000 0.276 542 L C 0.156 177.045 176.870 0.032 0.000 1.121 542 L CA 0.713 55.567 54.840 0.024 0.000 0.845 542 L CB 0.240 42.308 42.059 0.015 0.000 1.143 542 L HN 0.655 nan 8.230 nan 0.000 0.452 543 E N 3.281 123.480 120.200 -0.002 0.000 2.299 543 E HA 0.651 4.007 4.350 -1.656 0.000 0.265 543 E C -1.437 175.091 176.600 -0.120 0.000 0.911 543 E CA -1.050 55.345 56.400 -0.009 0.000 0.789 543 E CB 2.492 32.219 29.700 0.045 0.000 1.246 543 E HN 0.406 nan 8.360 nan 0.000 0.427 544 V N 3.090 122.904 119.914 -0.167 0.000 2.483 544 V HA 0.318 3.444 4.120 -1.656 0.000 0.297 544 V C -2.357 173.684 176.094 -0.089 0.000 1.027 544 V CA -1.841 60.312 62.300 -0.245 0.000 0.855 544 V CB 1.715 33.155 31.823 -0.637 0.000 0.995 544 V HN 0.557 nan 8.190 nan 0.000 0.424 545 P HA 0.263 nan 4.420 nan 0.000 0.276 545 P C -0.833 176.498 177.300 0.051 0.000 1.235 545 P CA -0.151 62.940 63.100 -0.014 0.000 0.772 545 P CB 1.064 32.756 31.700 -0.014 0.000 0.871 546 I N 5.302 125.944 120.570 0.120 0.000 2.301 546 I HA 0.259 3.435 4.170 -1.656 0.000 0.292 546 I C 1.202 177.501 176.117 0.304 0.000 1.046 546 I CA -0.252 61.187 61.300 0.232 0.000 1.282 546 I CB -0.080 38.135 38.000 0.357 0.000 1.409 546 I HN 0.409 nan 8.210 nan 0.000 0.484 547 R N 5.526 126.163 120.500 0.228 0.000 2.750 547 R HA 0.460 3.807 4.340 -1.656 0.000 0.281 547 R C -0.884 175.436 176.300 0.033 0.000 0.972 547 R CA -0.677 55.560 56.100 0.228 0.000 0.912 547 R CB 1.889 32.301 30.300 0.186 0.000 1.187 547 R HN 0.514 nan 8.270 nan 0.000 0.464 548 H N 3.809 122.692 119.070 -0.312 0.000 2.481 548 H HA 0.267 3.829 4.556 -1.656 0.000 0.339 548 H C -1.704 173.301 175.328 -0.538 0.000 1.131 548 H CA -1.914 53.743 56.048 -0.651 0.000 1.301 548 H CB 2.068 31.226 29.762 -1.007 0.000 1.476 548 H HN 0.408 nan 8.280 nan 0.000 0.529 549 P HA 0.103 nan 4.420 nan 0.000 0.256 549 P C -0.051 177.060 177.300 -0.316 0.000 1.335 549 P CA 0.543 63.073 63.100 -0.950 0.000 0.808 549 P CB 0.443 31.186 31.700 -1.595 0.000 1.305 550 K N -1.569 118.828 120.400 -0.004 0.000 2.824 550 K HA 0.187 3.513 4.320 -1.656 0.000 0.178 550 K C 0.323 177.072 176.600 0.249 0.000 1.749 550 K CA 0.016 56.344 56.287 0.070 0.000 1.342 550 K CB 0.418 32.940 32.500 0.037 0.000 1.902 550 K HN 0.041 nan 8.250 nan 0.000 0.618 551 F N 3.569 123.336 119.950 -0.305 0.000 2.334 551 F HA 0.165 3.698 4.527 -1.656 0.000 0.365 551 F C 0.706 176.177 175.800 -0.549 0.000 1.124 551 F CA -0.893 56.774 58.000 -0.555 0.000 1.166 551 F CB 0.713 39.082 39.000 -1.052 0.000 1.355 551 F HN -0.009 nan 8.300 nan 0.000 0.532 552 D N 3.694 124.054 120.400 -0.068 0.000 2.123 552 D HA -0.217 3.430 4.640 -1.656 0.000 0.196 552 D C 2.183 178.479 176.300 -0.007 0.000 0.992 552 D CA 1.331 55.331 54.000 0.000 0.000 0.833 552 D CB -0.217 40.634 40.800 0.084 0.000 0.954 552 D HN 0.713 nan 8.370 nan 0.000 0.455 553 W N 0.813 122.210 121.300 0.162 0.000 2.389 553 W HA -0.192 3.475 4.660 -1.656 0.000 0.267 553 W C 1.721 178.322 176.519 0.137 0.000 1.219 553 W CA -0.121 57.289 57.345 0.109 0.000 1.189 553 W CB -1.396 28.093 29.460 0.049 0.000 1.129 553 W HN -0.130 nan 8.180 nan 0.000 0.581 554 F N 3.662 123.243 119.950 -0.614 0.000 2.069 554 F HA -0.287 3.246 4.527 -1.656 0.000 0.298 554 F C 2.844 178.609 175.800 -0.058 0.000 1.113 554 F CA 3.527 61.248 58.000 -0.466 0.000 1.214 554 F CB -0.485 38.201 39.000 -0.524 0.000 0.978 554 F HN -0.129 nan 8.300 nan 0.000 0.474 555 K N -0.389 120.101 120.400 0.150 0.000 2.228 555 K HA -0.239 3.088 4.320 -1.656 0.000 0.205 555 K C 1.339 177.979 176.600 0.068 0.000 1.045 555 K CA 2.015 58.377 56.287 0.124 0.000 0.931 555 K CB -0.789 31.779 32.500 0.114 0.000 0.727 555 K HN 0.295 nan 8.250 nan 0.000 0.458 556 D N 1.185 121.635 120.400 0.084 0.000 2.350 556 D HA -0.048 3.599 4.640 -1.656 0.000 0.216 556 D C 1.834 178.168 176.300 0.056 0.000 0.968 556 D CA 0.670 54.724 54.000 0.089 0.000 0.894 556 D CB 0.026 40.910 40.800 0.140 0.000 0.909 556 D HN 0.309 nan 8.370 nan 0.000 0.520 557 L N 0.040 121.254 121.223 -0.016 0.000 2.275 557 L HA -0.011 3.336 4.340 -1.656 0.000 0.215 557 L C 1.525 178.398 176.870 0.005 0.000 1.119 557 L CA 0.667 55.469 54.840 -0.063 0.000 0.790 557 L CB -0.389 41.490 42.059 -0.301 0.000 0.919 557 L HN 0.078 nan 8.230 nan 0.000 0.443 558 G N 0.764 109.578 108.800 0.024 0.000 2.225 558 G HA2 -0.268 2.699 3.960 -1.656 0.000 0.264 558 G HA3 -0.268 2.699 3.960 -1.656 0.000 0.264 558 G C -0.022 174.934 174.900 0.092 0.000 1.060 558 G CA -0.133 45.013 45.100 0.076 0.000 0.833 558 G HN 0.229 nan 8.290 nan 0.000 0.498 559 L N -0.355 120.868 121.223 0.001 0.000 2.325 559 L HA 0.779 4.126 4.340 -1.656 0.000 0.279 559 L C 0.601 177.378 176.870 -0.155 0.000 1.054 559 L CA -0.686 54.110 54.840 -0.073 0.000 0.804 559 L CB 1.646 43.634 42.059 -0.117 0.000 1.200 559 L HN 0.468 nan 8.230 nan 0.000 0.436 560 K N 1.683 121.831 120.400 -0.420 0.000 2.556 560 K HA 0.508 3.835 4.320 -1.656 0.000 0.274 560 K C -2.037 174.578 176.600 0.025 0.000 0.966 560 K CA -1.016 55.142 56.287 -0.215 0.000 0.865 560 K CB 2.543 34.833 32.500 -0.350 0.000 1.444 560 K HN 0.571 nan 8.250 nan 0.000 0.433 561 W N 2.821 124.109 121.300 -0.019 0.000 3.107 561 W HA 0.338 4.008 4.660 -1.650 0.000 0.331 561 W C -1.193 175.373 176.519 0.079 0.000 1.204 561 W CA -0.881 56.489 57.345 0.043 0.000 1.184 561 W CB 1.787 31.178 29.460 -0.116 0.000 1.421 561 W HN 0.714 nan 8.180 nan 0.000 0.544 562 Y N 0.570 120.758 120.300 -0.186 0.000 2.336 562 Y HA 0.509 4.070 4.550 -1.650 0.000 0.331 562 Y C 1.019 177.121 175.900 0.338 0.000 1.211 562 Y CA -0.083 58.000 58.100 -0.028 0.000 1.346 562 Y CB 0.168 38.489 38.460 -0.231 0.000 1.271 562 Y HN 0.454 nan 8.280 nan 0.000 0.538 563 G N 1.968 111.019 108.800 0.418 0.000 2.623 563 G HA2 -0.015 2.951 3.960 -1.656 0.000 0.214 563 G HA3 -0.015 2.951 3.960 -1.656 0.000 0.214 563 G C -0.219 175.054 174.900 0.621 0.000 1.138 563 G CA -0.008 45.425 45.100 0.555 0.000 0.794 563 G HN 0.545 nan 8.290 nan 0.000 0.535 564 L N 2.681 124.207 121.223 0.506 0.000 2.264 564 L HA 0.445 3.791 4.340 -1.656 0.000 0.287 564 L C -2.228 174.756 176.870 0.189 0.000 1.039 564 L CA -2.645 52.370 54.840 0.291 0.000 0.829 564 L CB 1.491 43.639 42.059 0.148 0.000 1.211 564 L HN -0.167 nan 8.230 nan 0.000 0.427 565 P HA 0.329 nan 4.420 nan 0.000 0.287 565 P C -1.357 175.819 177.300 -0.207 0.000 1.307 565 P CA -0.311 62.590 63.100 -0.331 0.000 0.777 565 P CB 1.370 32.498 31.700 -0.953 0.000 0.883 566 A N 4.307 127.004 122.820 -0.204 0.000 2.679 566 A HA 0.368 3.694 4.320 -1.656 0.000 0.288 566 A C -0.428 176.899 177.584 -0.428 0.000 1.160 566 A CA -0.607 51.251 52.037 -0.299 0.000 0.763 566 A CB 0.760 19.613 19.000 -0.246 0.000 1.270 566 A HN 0.278 nan 8.150 nan 0.000 0.417 567 V N 2.917 122.418 119.914 -0.689 0.000 2.485 567 V HA 0.205 3.332 4.120 -1.656 0.000 0.287 567 V C 1.305 176.921 176.094 -0.796 0.000 1.022 567 V CA 1.294 63.112 62.300 -0.804 0.000 1.067 567 V CB 0.874 31.982 31.823 -1.191 0.000 0.967 567 V HN 1.090 nan 8.190 nan 0.000 0.479 568 S N 2.079 117.514 115.700 -0.443 0.000 2.603 568 S HA 0.026 3.503 4.470 -1.656 0.000 0.232 568 S C 0.906 175.406 174.600 -0.166 0.000 1.016 568 S CA 0.107 58.134 58.200 -0.289 0.000 0.976 568 S CB -0.348 62.730 63.200 -0.204 0.000 0.921 568 S HN 0.911 nan 8.310 nan 0.000 0.516 569 N N 0.437 119.038 118.700 -0.164 0.000 2.235 569 N HA 0.284 4.030 4.740 -1.656 0.000 0.209 569 N C 0.289 175.776 175.510 -0.038 0.000 1.122 569 N CA -0.413 52.583 53.050 -0.089 0.000 0.845 569 N CB 0.042 38.474 38.487 -0.092 0.000 1.004 569 N HN 0.285 nan 8.380 nan 0.000 0.499 570 M N 0.985 120.569 119.600 -0.026 0.000 2.371 570 M HA 0.344 3.831 4.480 -1.656 0.000 0.301 570 M C -0.608 175.779 176.300 0.145 0.000 1.173 570 M CA -0.832 54.505 55.300 0.063 0.000 1.020 570 M CB 2.022 34.680 32.600 0.097 0.000 1.490 570 M HN 0.093 nan 8.290 nan 0.000 0.485 571 L N 2.274 123.593 121.223 0.159 0.000 2.333 571 L HA 0.508 3.855 4.340 -1.656 0.000 0.280 571 L C -1.512 175.479 176.870 0.201 0.000 1.004 571 L CA -0.987 53.952 54.840 0.164 0.000 0.820 571 L CB 1.319 43.428 42.059 0.083 0.000 1.247 571 L HN 0.539 nan 8.230 nan 0.000 0.416 572 L N 5.018 126.382 121.223 0.235 0.000 2.264 572 L HA 0.429 3.775 4.340 -1.656 0.000 0.289 572 L C -0.417 176.520 176.870 0.112 0.000 1.044 572 L CA 0.299 55.194 54.840 0.092 0.000 0.807 572 L CB 1.306 43.414 42.059 0.082 0.000 1.192 572 L HN 0.702 nan 8.230 nan 0.000 0.425 573 E N 5.734 125.902 120.200 -0.053 0.000 2.145 573 E HA 0.533 3.890 4.350 -1.656 0.000 0.270 573 E C -1.460 175.070 176.600 -0.116 0.000 0.906 573 E CA -0.475 55.894 56.400 -0.052 0.000 0.761 573 E CB 0.966 30.622 29.700 -0.074 0.000 1.116 573 E HN 0.712 nan 8.360 nan 0.000 0.408 574 I N 3.602 124.109 120.570 -0.105 0.000 2.499 574 I HA 0.330 3.507 4.170 -1.656 0.000 0.288 574 I C 0.764 176.634 176.117 -0.410 0.000 1.048 574 I CA -0.789 60.314 61.300 -0.328 0.000 1.062 574 I CB 2.062 39.856 38.000 -0.344 0.000 1.238 574 I HN 0.879 nan 8.210 nan 0.000 0.426 575 G N 4.235 112.738 108.800 -0.495 0.000 2.379 575 G HA2 -0.124 2.843 3.960 -1.656 0.000 0.297 575 G HA3 -0.124 2.843 3.960 -1.656 0.000 0.297 575 G C 1.043 175.975 174.900 0.054 0.000 1.004 575 G CA 0.927 45.944 45.100 -0.139 0.000 0.921 575 G HN 1.543 nan 8.290 nan 0.000 0.511 576 G N -1.915 106.875 108.800 -0.016 0.000 2.268 576 G HA2 -0.248 2.719 3.960 -1.656 0.000 0.240 576 G HA3 -0.248 2.719 3.960 -1.656 0.000 0.240 576 G C 0.579 175.443 174.900 -0.059 0.000 1.010 576 G CA 0.415 45.521 45.100 0.011 0.000 0.618 576 G HN 1.264 nan 8.290 nan 0.000 0.516 577 L N 1.239 122.369 121.223 -0.154 0.000 2.417 577 L HA 0.518 3.865 4.340 -1.656 0.000 0.268 577 L C 0.421 177.039 176.870 -0.420 0.000 1.158 577 L CA -0.256 54.370 54.840 -0.356 0.000 0.819 577 L CB 0.760 42.482 42.059 -0.562 0.000 1.112 577 L HN 0.226 nan 8.230 nan 0.000 0.458 578 E N 2.550 122.441 120.200 -0.515 0.000 2.158 578 E HA 0.397 3.753 4.350 -1.656 0.000 0.271 578 E C -1.501 174.760 176.600 -0.566 0.000 0.911 578 E CA -0.417 55.754 56.400 -0.382 0.000 0.767 578 E CB 1.749 31.340 29.700 -0.182 0.000 1.120 578 E HN 0.275 nan 8.360 nan 0.000 0.405 579 F N 1.590 121.519 119.950 -0.036 0.000 2.359 579 F HA 0.104 3.636 4.527 -1.659 0.000 0.369 579 F C 1.344 177.174 175.800 0.050 0.000 1.084 579 F CA -0.598 57.399 58.000 -0.004 0.000 1.096 579 F CB 1.396 40.378 39.000 -0.031 0.000 1.335 579 F HN 0.422 nan 8.300 nan 0.000 0.457 580 S N 1.225 117.037 115.700 0.186 0.000 2.561 580 S HA 0.335 3.812 4.470 -1.656 0.000 0.225 580 S C 0.689 175.398 174.600 0.182 0.000 0.977 580 S CA 0.264 58.554 58.200 0.150 0.000 0.926 580 S CB 0.102 63.363 63.200 0.103 0.000 0.769 580 S HN 0.512 nan 8.310 nan 0.000 0.533 581 A N 0.898 123.875 122.820 0.262 0.000 2.522 581 A HA 0.582 3.908 4.320 -1.656 0.000 0.285 581 A C -0.200 177.601 177.584 0.361 0.000 1.198 581 A CA -0.619 51.597 52.037 0.298 0.000 0.742 581 A CB 0.222 19.413 19.000 0.319 0.000 1.176 581 A HN 1.013 nan 8.150 nan 0.000 0.444 582 C N 0.805 120.259 119.300 0.256 0.000 3.235 582 C HA 0.478 3.945 4.460 -1.656 0.000 0.198 582 C C -2.695 172.391 174.990 0.161 0.000 1.527 582 C CA -1.798 57.334 59.018 0.190 0.000 1.167 582 C CB -0.233 27.650 27.740 0.238 0.000 1.938 582 C HN 0.572 nan 8.230 nan 0.000 0.593 583 P HA 0.225 nan 4.420 nan 0.000 0.262 583 P C -0.587 176.685 177.300 -0.047 0.000 1.182 583 P CA 1.103 64.117 63.100 -0.144 0.000 0.761 583 P CB 0.332 31.922 31.700 -0.184 0.000 0.795 584 F N 0.199 120.046 119.950 -0.173 0.000 2.576 584 F HA 0.771 4.306 4.527 -1.653 0.000 0.313 584 F C -0.540 175.145 175.800 -0.191 0.000 1.078 584 F CA -1.225 56.683 58.000 -0.153 0.000 0.921 584 F CB 1.666 40.443 39.000 -0.372 0.000 1.232 584 F HN 0.396 nan 8.300 nan 0.000 0.459 585 S N 0.508 116.278 115.700 0.118 0.000 2.588 585 S HA 0.974 4.450 4.470 -1.656 0.000 0.275 585 S C -0.726 173.812 174.600 -0.104 0.000 1.130 585 S CA -0.179 58.020 58.200 -0.002 0.000 0.855 585 S CB 1.554 64.831 63.200 0.127 0.000 1.116 585 S HN 1.480 nan 8.310 nan 0.000 0.472 586 G N -0.159 108.541 108.800 -0.166 0.000 3.354 586 G HA2 0.725 3.692 3.960 -1.656 0.000 0.174 586 G HA3 0.725 3.692 3.960 -1.656 0.000 0.174 586 G C -1.715 173.174 174.900 -0.019 0.000 1.140 586 G CA -0.322 44.616 45.100 -0.269 0.000 0.897 586 G HN 1.184 nan 8.290 nan 0.000 0.685 587 W N -1.241 120.055 121.300 -0.007 0.000 3.107 587 W HA 0.801 4.466 4.660 -1.657 0.000 0.331 587 W C -1.399 175.123 176.519 0.005 0.000 1.204 587 W CA -2.212 55.150 57.345 0.028 0.000 1.184 587 W CB 0.361 29.879 29.460 0.097 0.000 1.421 587 W HN 0.491 nan 8.180 nan 0.000 0.544 588 Y N 2.619 123.098 120.300 0.297 0.000 2.457 588 Y HA 0.205 3.761 4.550 -1.656 0.000 0.341 588 Y C 0.948 176.907 175.900 0.097 0.000 1.240 588 Y CA -0.284 57.873 58.100 0.095 0.000 1.437 588 Y CB 0.967 39.374 38.460 -0.089 0.000 1.328 588 Y HN 0.449 nan 8.280 nan 0.000 0.588 589 M N 1.966 121.712 119.600 0.243 0.000 2.268 589 M HA 0.341 3.827 4.480 -1.656 0.000 0.344 589 M C 1.078 177.379 176.300 0.001 0.000 1.106 589 M CA -0.108 55.268 55.300 0.126 0.000 1.010 589 M CB 1.380 34.031 32.600 0.085 0.000 1.649 589 M HN 0.868 nan 8.290 nan 0.000 0.443 590 G N 1.512 110.276 108.800 -0.060 0.000 2.556 590 G HA2 -0.331 2.636 3.960 -1.656 0.000 0.220 590 G HA3 -0.331 2.636 3.960 -1.656 0.000 0.220 590 G C 1.159 175.912 174.900 -0.246 0.000 1.156 590 G CA 1.914 46.901 45.100 -0.189 0.000 0.766 590 G HN 0.891 nan 8.290 nan 0.000 0.583 591 T N -0.747 113.694 114.554 -0.188 0.000 2.849 591 T HA -0.081 3.275 4.350 -1.656 0.000 0.270 591 T C 1.945 176.481 174.700 -0.274 0.000 1.066 591 T CA 1.747 63.690 62.100 -0.261 0.000 1.130 591 T CB -0.350 68.326 68.868 -0.320 0.000 0.864 591 T HN 0.557 nan 8.240 nan 0.000 0.481 592 E N 0.874 120.937 120.200 -0.228 0.000 2.118 592 E HA -0.051 3.306 4.350 -1.656 0.000 0.195 592 E C 2.032 178.368 176.600 -0.441 0.000 0.992 592 E CA 1.443 57.718 56.400 -0.208 0.000 0.804 592 E CB -0.321 29.399 29.700 0.035 0.000 0.741 592 E HN 0.641 nan 8.360 nan 0.000 0.458 593 I N -0.101 120.041 120.570 -0.714 0.000 2.512 593 I HA -0.009 3.167 4.170 -1.656 0.000 0.247 593 I C 2.587 178.112 176.117 -0.986 0.000 1.094 593 I CA 0.796 61.380 61.300 -1.194 0.000 1.427 593 I CB -0.511 36.576 38.000 -1.522 0.000 1.149 593 I HN 0.073 nan 8.210 nan 0.000 0.438 594 G N 0.818 109.256 108.800 -0.604 0.000 2.422 594 G HA2 -0.129 2.837 3.960 -1.656 0.000 0.218 594 G HA3 -0.129 2.837 3.960 -1.656 0.000 0.218 594 G C 1.611 176.433 174.900 -0.129 0.000 1.146 594 G CA 1.062 46.013 45.100 -0.249 0.000 0.769 594 G HN 0.224 nan 8.290 nan 0.000 0.547 595 V N 0.107 119.897 119.914 -0.206 0.000 2.436 595 V HA 0.076 3.203 4.120 -1.656 0.000 0.240 595 V C 2.788 178.804 176.094 -0.129 0.000 1.040 595 V CA 1.017 63.230 62.300 -0.146 0.000 1.052 595 V CB -0.199 31.511 31.823 -0.189 0.000 0.707 595 V HN 0.132 nan 8.190 nan 0.000 0.469 596 R N 0.401 120.789 120.500 -0.187 0.000 2.057 596 R HA 0.023 3.369 4.340 -1.656 0.000 0.224 596 R C 1.937 178.168 176.300 -0.116 0.000 1.136 596 R CA 1.248 57.263 56.100 -0.142 0.000 0.968 596 R CB -1.009 29.199 30.300 -0.153 0.000 0.863 596 R HN 0.463 nan 8.270 nan 0.000 0.433 597 D N 0.248 120.481 120.400 -0.279 0.000 2.117 597 D HA -0.135 3.511 4.640 -1.656 0.000 0.197 597 D C 2.046 178.345 176.300 -0.001 0.000 0.987 597 D CA 1.273 55.099 54.000 -0.289 0.000 0.829 597 D CB -0.142 40.019 40.800 -1.065 0.000 0.961 597 D HN 0.342 nan 8.370 nan 0.000 0.460 598 Y N -0.111 120.080 120.300 -0.183 0.000 2.231 598 Y HA -0.060 3.497 4.550 -1.656 0.000 0.294 598 Y C 2.545 178.483 175.900 0.064 0.000 1.120 598 Y CA 0.269 58.355 58.100 -0.024 0.000 1.141 598 Y CB 0.215 38.633 38.460 -0.070 0.000 1.022 598 Y HN 0.014 nan 8.280 nan 0.000 0.523 599 C N -0.680 118.726 119.300 0.177 0.000 2.780 599 C HA 0.110 3.577 4.460 -1.656 0.000 0.267 599 C C 0.322 175.355 174.990 0.071 0.000 1.266 599 C CA -0.712 58.375 59.018 0.114 0.000 1.709 599 C CB -0.879 26.904 27.740 0.071 0.000 1.975 599 C HN 0.269 nan 8.230 nan 0.000 0.582 600 D N 1.870 122.302 120.400 0.055 0.000 2.472 600 D HA -0.003 3.643 4.640 -1.656 0.000 0.237 600 D C 1.083 177.418 176.300 0.059 0.000 1.141 600 D CA 0.452 54.472 54.000 0.035 0.000 0.875 600 D CB 0.441 41.258 40.800 0.029 0.000 1.192 600 D HN 0.235 nan 8.370 nan 0.000 0.450 601 N N 0.364 119.088 118.700 0.040 0.000 2.244 601 N HA -0.138 3.609 4.740 -1.656 0.000 0.183 601 N C 1.337 176.873 175.510 0.044 0.000 1.016 601 N CA 0.732 53.809 53.050 0.046 0.000 0.866 601 N CB -0.034 38.474 38.487 0.035 0.000 0.980 601 N HN 0.387 nan 8.380 nan 0.000 0.430 602 S N -0.087 115.638 115.700 0.041 0.000 2.631 602 S HA 0.207 3.684 4.470 -1.656 0.000 0.217 602 S C 1.091 175.721 174.600 0.050 0.000 0.958 602 S CA -0.234 57.989 58.200 0.039 0.000 0.920 602 S CB 0.504 63.727 63.200 0.038 0.000 0.776 602 S HN 0.031 nan 8.310 nan 0.000 0.517 603 R N 0.135 120.681 120.500 0.076 0.000 2.769 603 R HA 0.379 3.725 4.340 -1.656 0.000 0.117 603 R C 0.674 177.026 176.300 0.087 0.000 1.152 603 R CA -0.514 55.661 56.100 0.125 0.000 0.887 603 R CB -1.095 29.333 30.300 0.213 0.000 1.099 603 R HN 0.290 nan 8.270 nan 0.000 0.398 604 Y N 1.925 122.326 120.300 0.168 0.000 2.574 604 Y HA -0.014 3.542 4.550 -1.657 0.000 0.294 604 Y C 0.652 176.616 175.900 0.107 0.000 1.142 604 Y CA 0.809 59.005 58.100 0.159 0.000 1.314 604 Y CB -0.554 38.062 38.460 0.260 0.000 0.991 604 Y HN 0.533 nan 8.280 nan 0.000 0.555 605 N N 1.386 120.209 118.700 0.204 0.000 2.725 605 N HA -0.232 3.515 4.740 -1.656 0.000 0.280 605 N C 0.613 176.206 175.510 0.138 0.000 1.017 605 N CA 0.343 53.476 53.050 0.139 0.000 0.813 605 N CB -0.811 37.728 38.487 0.088 0.000 0.931 605 N HN 0.650 nan 8.380 nan 0.000 0.570 606 I N -1.800 118.864 120.570 0.157 0.000 3.883 606 I HA 0.040 3.217 4.170 -1.656 0.000 0.326 606 I C 1.701 177.904 176.117 0.144 0.000 1.283 606 I CA -0.383 60.992 61.300 0.125 0.000 1.161 606 I CB -0.006 38.037 38.000 0.071 0.000 1.012 606 I HN 0.246 nan 8.210 nan 0.000 0.421 607 L N 1.270 122.595 121.223 0.171 0.000 1.990 607 L HA -0.218 3.129 4.340 -1.656 0.000 0.213 607 L C 2.702 179.761 176.870 0.316 0.000 1.072 607 L CA 1.938 56.917 54.840 0.232 0.000 0.755 607 L CB -0.608 41.563 42.059 0.186 0.000 0.889 607 L HN 0.363 nan 8.230 nan 0.000 0.432 608 E N -0.386 119.988 120.200 0.290 0.000 2.070 608 E HA -0.317 3.039 4.350 -1.656 0.000 0.197 608 E C 2.102 178.748 176.600 0.077 0.000 1.004 608 E CA 1.801 58.325 56.400 0.207 0.000 0.805 608 E CB -0.051 29.726 29.700 0.128 0.000 0.744 608 E HN 0.454 nan 8.360 nan 0.000 0.451 609 E N 0.173 120.415 120.200 0.071 0.000 2.051 609 E HA -0.168 3.189 4.350 -1.656 0.000 0.192 609 E C 2.118 178.730 176.600 0.020 0.000 0.991 609 E CA 1.236 57.646 56.400 0.018 0.000 0.799 609 E CB 0.174 29.889 29.700 0.025 0.000 0.748 609 E HN 0.058 nan 8.360 nan 0.000 0.449 610 V N 1.276 121.260 119.914 0.116 0.000 2.594 610 V HA -0.245 2.882 4.120 -1.656 0.000 0.253 610 V C 2.360 178.559 176.094 0.176 0.000 1.069 610 V CA 1.568 64.001 62.300 0.221 0.000 1.082 610 V CB -0.727 31.302 31.823 0.343 0.000 0.680 610 V HN 0.403 nan 8.190 nan 0.000 0.469 611 A N 0.172 123.089 122.820 0.161 0.000 1.855 611 A HA -0.217 3.110 4.320 -1.656 0.000 0.215 611 A C 2.305 179.839 177.584 -0.083 0.000 1.191 611 A CA 1.917 54.030 52.037 0.126 0.000 0.613 611 A CB -0.422 18.655 19.000 0.129 0.000 0.829 611 A HN 0.517 nan 8.150 nan 0.000 0.442 612 K N -0.218 120.089 120.400 -0.154 0.000 2.001 612 K HA -0.162 3.165 4.320 -1.656 0.000 0.214 612 K C 1.992 178.397 176.600 -0.325 0.000 1.050 612 K CA 1.558 57.710 56.287 -0.225 0.000 0.934 612 K CB -0.190 32.194 32.500 -0.194 0.000 0.718 612 K HN 0.152 nan 8.250 nan 0.000 0.443 613 K N 0.473 120.598 120.400 -0.457 0.000 2.286 613 K HA -0.120 3.207 4.320 -1.656 0.000 0.203 613 K C 1.835 177.842 176.600 -0.989 0.000 1.045 613 K CA 1.418 57.132 56.287 -0.955 0.000 0.935 613 K CB -0.088 31.462 32.500 -1.583 0.000 0.737 613 K HN 0.325 nan 8.250 nan 0.000 0.460 614 M N -0.688 118.630 119.600 -0.471 0.000 2.509 614 M HA -0.023 3.464 4.480 -1.656 0.000 0.250 614 M C -0.242 175.936 176.300 -0.203 0.000 1.132 614 M CA 0.157 55.313 55.300 -0.239 0.000 1.080 614 M CB 0.088 32.735 32.600 0.079 0.000 1.408 614 M HN -0.025 nan 8.290 nan 0.000 0.484 615 D N 1.641 121.907 120.400 -0.223 0.000 2.746 615 D HA -0.133 3.514 4.640 -1.656 0.000 0.236 615 D C -0.924 175.306 176.300 -0.116 0.000 1.129 615 D CA 0.374 54.267 54.000 -0.178 0.000 0.691 615 D CB -0.936 39.759 40.800 -0.175 0.000 1.077 615 D HN 0.271 nan 8.370 nan 0.000 0.432 616 L N 0.061 121.225 121.223 -0.098 0.000 2.418 616 L HA 0.307 3.654 4.340 -1.656 0.000 0.265 616 L C 1.044 177.837 176.870 -0.128 0.000 1.143 616 L CA -0.640 54.174 54.840 -0.042 0.000 0.809 616 L CB 0.585 42.691 42.059 0.078 0.000 1.124 616 L HN 0.038 nan 8.230 nan 0.000 0.456 617 D N 2.482 122.843 120.400 -0.066 0.000 2.498 617 D HA 0.076 3.723 4.640 -1.656 0.000 0.229 617 D C 0.682 176.851 176.300 -0.218 0.000 1.188 617 D CA 0.187 54.126 54.000 -0.103 0.000 1.028 617 D CB 0.509 41.299 40.800 -0.016 0.000 1.087 617 D HN 0.379 nan 8.370 nan 0.000 0.510 618 M N 1.966 121.261 119.600 -0.509 0.000 2.682 618 M HA 0.057 3.543 4.480 -1.656 0.000 0.235 618 M C 1.769 177.814 176.300 -0.425 0.000 1.114 618 M CA 0.151 54.830 55.300 -1.036 0.000 1.053 618 M CB 0.267 32.095 32.600 -1.287 0.000 1.599 618 M HN 0.178 nan 8.290 nan 0.000 0.520 619 R N 1.686 122.073 120.500 -0.188 0.000 2.066 619 R HA -0.053 3.293 4.340 -1.656 0.000 0.232 619 R C 0.373 176.697 176.300 0.039 0.000 1.131 619 R CA 1.034 57.095 56.100 -0.065 0.000 0.955 619 R CB -0.174 30.099 30.300 -0.045 0.000 0.851 619 R HN 0.391 nan 8.270 nan 0.000 0.432 620 K N 0.353 120.811 120.400 0.096 0.000 2.244 620 K HA 0.240 3.566 4.320 -1.656 0.000 0.260 620 K C 0.582 177.344 176.600 0.270 0.000 0.951 620 K CA -0.315 56.062 56.287 0.150 0.000 0.826 620 K CB 1.885 34.442 32.500 0.096 0.000 1.108 620 K HN -0.110 nan 8.250 nan 0.000 0.433 621 T N -1.524 113.165 114.554 0.225 0.000 2.833 621 T HA -0.215 3.142 4.350 -1.656 0.000 0.269 621 T C 1.773 176.522 174.700 0.081 0.000 1.054 621 T CA 1.608 63.804 62.100 0.162 0.000 1.135 621 T CB -0.554 68.354 68.868 0.068 0.000 0.869 621 T HN 0.648 nan 8.240 nan 0.000 0.466 622 S N 1.851 117.601 115.700 0.083 0.000 2.595 622 S HA -0.036 3.441 4.470 -1.656 0.000 0.235 622 S C 2.057 176.701 174.600 0.074 0.000 0.974 622 S CA 0.738 58.972 58.200 0.056 0.000 0.942 622 S CB -0.833 62.395 63.200 0.047 0.000 0.766 622 S HN 0.791 nan 8.310 nan 0.000 0.536 623 S N 1.536 117.315 115.700 0.132 0.000 2.562 623 S HA 0.244 3.720 4.470 -1.656 0.000 0.221 623 S C 0.909 175.588 174.600 0.132 0.000 0.975 623 S CA 0.055 58.341 58.200 0.145 0.000 0.918 623 S CB -0.941 62.381 63.200 0.202 0.000 0.772 623 S HN 0.610 nan 8.310 nan 0.000 0.531 624 L N 1.009 122.274 121.223 0.070 0.000 3.717 624 L HA -0.170 3.177 4.340 -1.656 0.000 0.414 624 L C 1.567 178.434 176.870 -0.006 0.000 1.228 624 L CA 0.633 55.452 54.840 -0.035 0.000 0.918 624 L CB -2.447 39.607 42.059 -0.008 0.000 1.865 624 L HN 0.728 nan 8.230 nan 0.000 0.922 625 W N -0.135 121.184 121.300 0.032 0.000 2.388 625 W HA -0.113 3.553 4.660 -1.656 0.000 0.294 625 W C 1.750 178.300 176.519 0.052 0.000 1.212 625 W CA 1.227 58.597 57.345 0.041 0.000 1.271 625 W CB -0.717 28.760 29.460 0.030 0.000 1.126 625 W HN 0.249 nan 8.180 nan 0.000 0.535 626 K N 1.055 120.906 120.400 -0.914 0.000 2.063 626 K HA -0.194 3.132 4.320 -1.656 0.000 0.208 626 K C 1.518 177.963 176.600 -0.257 0.000 1.048 626 K CA 2.523 58.343 56.287 -0.779 0.000 0.928 626 K CB -0.327 31.564 32.500 -1.014 0.000 0.713 626 K HN 0.068 nan 8.250 nan 0.000 0.442 627 D N 0.396 120.672 120.400 -0.207 0.000 2.097 627 D HA -0.141 3.505 4.640 -1.656 0.000 0.197 627 D C 1.998 178.301 176.300 0.005 0.000 0.984 627 D CA 1.019 54.968 54.000 -0.085 0.000 0.826 627 D CB -0.049 40.708 40.800 -0.072 0.000 0.973 627 D HN 0.182 nan 8.370 nan 0.000 0.460 628 Q N 0.073 119.905 119.800 0.054 0.000 2.061 628 Q HA -0.140 3.206 4.340 -1.656 0.000 0.204 628 Q C 2.253 178.349 176.000 0.160 0.000 0.984 628 Q CA 1.483 57.356 55.803 0.118 0.000 0.846 628 Q CB -0.192 28.642 28.738 0.159 0.000 0.902 628 Q HN 0.308 nan 8.270 nan 0.000 0.421 629 A N 0.549 123.488 122.820 0.197 0.000 1.930 629 A HA -0.171 3.156 4.320 -1.656 0.000 0.217 629 A C 2.000 179.700 177.584 0.193 0.000 1.175 629 A CA 1.015 53.205 52.037 0.256 0.000 0.627 629 A CB -0.592 18.599 19.000 0.317 0.000 0.815 629 A HN 0.359 nan 8.150 nan 0.000 0.443 630 L N 0.132 121.419 121.223 0.107 0.000 1.989 630 L HA -0.158 3.189 4.340 -1.656 0.000 0.211 630 L C 2.428 179.338 176.870 0.066 0.000 1.071 630 L CA 2.172 57.052 54.840 0.066 0.000 0.749 630 L CB -0.652 41.405 42.059 -0.004 0.000 0.890 630 L HN 0.176 nan 8.230 nan 0.000 0.431 631 V N -0.056 119.894 119.914 0.061 0.000 2.252 631 V HA -0.306 2.821 4.120 -1.656 0.000 0.249 631 V C 2.689 178.818 176.094 0.058 0.000 1.056 631 V CA 2.015 64.348 62.300 0.055 0.000 1.022 631 V CB -0.841 31.020 31.823 0.063 0.000 0.641 631 V HN 0.479 nan 8.190 nan 0.000 0.445 632 E N 0.023 120.285 120.200 0.103 0.000 2.058 632 E HA -0.197 3.160 4.350 -1.656 0.000 0.194 632 E C 2.149 178.784 176.600 0.058 0.000 0.997 632 E CA 1.547 58.011 56.400 0.106 0.000 0.801 632 E CB -0.488 29.309 29.700 0.162 0.000 0.746 632 E HN 0.597 nan 8.360 nan 0.000 0.450 633 I N 1.606 122.276 120.570 0.166 0.000 2.248 633 I HA -0.287 2.889 4.170 -1.656 0.000 0.248 633 I C 2.066 178.234 176.117 0.084 0.000 1.107 633 I CA 1.000 62.430 61.300 0.217 0.000 1.373 633 I CB -0.329 37.854 38.000 0.304 0.000 1.055 633 I HN 0.101 nan 8.210 nan 0.000 0.418 634 N N 0.625 119.342 118.700 0.027 0.000 2.354 634 N HA -0.013 3.734 4.740 -1.656 0.000 0.179 634 N C 1.981 177.450 175.510 -0.069 0.000 1.021 634 N CA 1.006 54.038 53.050 -0.029 0.000 0.887 634 N CB 0.175 38.639 38.487 -0.039 0.000 0.974 634 N HN 0.363 nan 8.380 nan 0.000 0.437 635 I N 1.285 121.786 120.570 -0.115 0.000 2.315 635 I HA -0.202 2.975 4.170 -1.656 0.000 0.248 635 I C 2.362 178.300 176.117 -0.298 0.000 1.117 635 I CA 0.466 61.647 61.300 -0.199 0.000 1.404 635 I CB -0.092 37.740 38.000 -0.280 0.000 1.071 635 I HN 0.046 nan 8.210 nan 0.000 0.419 636 A N 0.397 122.969 122.820 -0.413 0.000 1.858 636 A HA -0.172 3.154 4.320 -1.656 0.000 0.216 636 A C 2.386 179.920 177.584 -0.084 0.000 1.190 636 A CA 1.813 53.589 52.037 -0.436 0.000 0.617 636 A CB -1.037 17.521 19.000 -0.736 0.000 0.827 636 A HN 0.207 nan 8.150 nan 0.000 0.443 637 V N 0.322 120.223 119.914 -0.021 0.000 2.231 637 V HA -0.339 2.788 4.120 -1.656 0.000 0.250 637 V C 2.621 178.738 176.094 0.038 0.000 1.058 637 V CA 2.319 64.642 62.300 0.039 0.000 1.022 637 V CB -0.965 30.794 31.823 -0.106 0.000 0.640 637 V HN 0.591 nan 8.190 nan 0.000 0.445 638 L N -1.462 119.741 121.223 -0.033 0.000 2.043 638 L HA -0.257 3.089 4.340 -1.656 0.000 0.212 638 L C 2.486 179.389 176.870 0.054 0.000 1.075 638 L CA 2.225 57.061 54.840 -0.007 0.000 0.752 638 L CB -0.783 41.268 42.059 -0.012 0.000 0.891 638 L HN 0.445 nan 8.230 nan 0.000 0.432 639 Y N 0.712 120.960 120.300 -0.086 0.000 2.097 639 Y HA -0.292 3.265 4.550 -1.655 0.000 0.282 639 Y C 2.830 178.711 175.900 -0.032 0.000 1.152 639 Y CA 1.771 59.809 58.100 -0.102 0.000 1.136 639 Y CB -0.426 37.897 38.460 -0.229 0.000 0.975 639 Y HN 0.071 nan 8.280 nan 0.000 0.498 640 S N 0.332 115.982 115.700 -0.084 0.000 2.351 640 S HA -0.216 3.261 4.470 -1.656 0.000 0.220 640 S C 1.844 176.401 174.600 -0.072 0.000 1.035 640 S CA 1.699 59.836 58.200 -0.106 0.000 1.031 640 S CB -0.962 62.289 63.200 0.087 0.000 0.928 640 S HN 0.446 nan 8.310 nan 0.000 0.433 641 F N 1.921 121.806 119.950 -0.109 0.000 2.091 641 F HA -0.177 3.356 4.527 -1.656 0.000 0.299 641 F C 2.734 178.470 175.800 -0.107 0.000 1.103 641 F CA 1.410 59.367 58.000 -0.071 0.000 1.228 641 F CB -0.699 38.285 39.000 -0.026 0.000 0.984 641 F HN 0.245 nan 8.300 nan 0.000 0.477 642 Q N -0.674 119.155 119.800 0.049 0.000 2.050 642 Q HA -0.170 3.177 4.340 -1.656 0.000 0.202 642 Q C 2.420 178.335 176.000 -0.143 0.000 0.980 642 Q CA 1.882 57.656 55.803 -0.048 0.000 0.840 642 Q CB -0.356 28.346 28.738 -0.059 0.000 0.898 642 Q HN 0.290 nan 8.270 nan 0.000 0.424 643 S N 1.242 116.771 115.700 -0.285 0.000 2.353 643 S HA -0.152 3.324 4.470 -1.656 0.000 0.222 643 S C 1.247 175.733 174.600 -0.190 0.000 1.035 643 S CA 1.439 59.452 58.200 -0.312 0.000 1.025 643 S CB -0.322 62.565 63.200 -0.523 0.000 0.902 643 S HN 0.360 nan 8.310 nan 0.000 0.440 644 D N 0.566 120.857 120.400 -0.182 0.000 2.378 644 D HA 0.054 3.700 4.640 -1.656 0.000 0.227 644 D C 0.578 176.809 176.300 -0.117 0.000 1.012 644 D CA 0.435 54.348 54.000 -0.146 0.000 0.905 644 D CB -0.148 40.545 40.800 -0.178 0.000 0.895 644 D HN 0.200 nan 8.370 nan 0.000 0.532 645 K N -0.743 119.597 120.400 -0.100 0.000 3.160 645 K HA -0.154 3.172 4.320 -1.656 0.000 0.280 645 K C -0.959 175.609 176.600 -0.053 0.000 1.154 645 K CA 0.153 56.397 56.287 -0.071 0.000 0.822 645 K CB -1.408 31.051 32.500 -0.068 0.000 1.239 645 K HN -0.001 nan 8.250 nan 0.000 0.489 646 V N 1.603 121.494 119.914 -0.038 0.000 2.432 646 V HA 0.186 3.312 4.120 -1.656 0.000 0.275 646 V C 0.815 176.991 176.094 0.136 0.000 1.043 646 V CA -0.443 61.869 62.300 0.020 0.000 0.925 646 V CB 1.590 33.362 31.823 -0.085 0.000 0.985 646 V HN 0.278 nan 8.190 nan 0.000 0.466 647 T N 6.734 121.328 114.554 0.065 0.000 2.905 647 T HA 0.330 3.687 4.350 -1.656 0.000 0.299 647 T C -0.219 174.545 174.700 0.105 0.000 1.024 647 T CA 0.918 62.989 62.100 -0.048 0.000 1.151 647 T CB -0.036 68.665 68.868 -0.278 0.000 0.987 647 T HN 0.577 nan 8.240 nan 0.000 0.535 648 I N 2.435 123.012 120.570 0.012 0.000 2.908 648 I HA 0.603 3.779 4.170 -1.656 0.000 0.300 648 I C -1.560 174.592 176.117 0.058 0.000 1.385 648 I CA -0.953 60.402 61.300 0.092 0.000 1.004 648 I CB 1.952 39.952 38.000 0.001 0.000 1.309 648 I HN 0.437 nan 8.210 nan 0.000 0.449 649 V N 5.094 125.102 119.914 0.157 0.000 2.656 649 V HA 0.487 3.614 4.120 -1.656 0.000 0.307 649 V C -1.167 174.986 176.094 0.099 0.000 1.051 649 V CA -0.290 62.096 62.300 0.144 0.000 0.893 649 V CB 2.246 34.237 31.823 0.281 0.000 0.999 649 V HN 0.869 nan 8.190 nan 0.000 0.426 650 D N 3.829 124.266 120.400 0.063 0.000 2.329 650 D HA 0.200 3.846 4.640 -1.656 0.000 0.246 650 D C 1.248 177.561 176.300 0.021 0.000 1.111 650 D CA 0.052 54.079 54.000 0.044 0.000 0.941 650 D CB 0.499 41.296 40.800 -0.004 0.000 1.169 650 D HN 0.733 nan 8.370 nan 0.000 0.441 651 H N 0.078 119.084 119.070 -0.107 0.000 2.489 651 H HA -0.146 3.417 4.556 -1.656 0.000 0.293 651 H C 0.907 176.140 175.328 -0.158 0.000 1.066 651 H CA 1.289 57.240 56.048 -0.162 0.000 1.305 651 H CB -0.544 29.064 29.762 -0.256 0.000 1.386 651 H HN 0.524 nan 8.280 nan 0.000 0.551 652 H N 0.574 119.434 119.070 -0.350 0.000 2.333 652 H HA -0.046 3.517 4.556 -1.655 0.000 0.302 652 H C 2.431 177.731 175.328 -0.047 0.000 1.075 652 H CA 1.428 57.359 56.048 -0.193 0.000 1.348 652 H CB -0.111 29.505 29.762 -0.245 0.000 1.393 652 H HN 0.399 nan 8.280 nan 0.000 0.509 653 S N 0.417 116.166 115.700 0.082 0.000 2.368 653 S HA -0.070 3.407 4.470 -1.656 0.000 0.224 653 S C 2.397 177.065 174.600 0.115 0.000 1.029 653 S CA 0.991 59.245 58.200 0.090 0.000 0.988 653 S CB -0.239 63.006 63.200 0.076 0.000 0.838 653 S HN 0.455 nan 8.310 nan 0.000 0.462 654 A N 0.963 123.852 122.820 0.116 0.000 1.902 654 A HA -0.085 3.242 4.320 -1.656 0.000 0.217 654 A C 2.458 180.138 177.584 0.161 0.000 1.181 654 A CA 2.405 54.529 52.037 0.146 0.000 0.623 654 A CB -1.614 17.464 19.000 0.130 0.000 0.818 654 A HN 0.771 nan 8.150 nan 0.000 0.443 655 T N -2.273 112.359 114.554 0.130 0.000 2.857 655 T HA -0.120 3.236 4.350 -1.656 0.000 0.266 655 T C 1.765 176.590 174.700 0.208 0.000 1.048 655 T CA 1.357 63.553 62.100 0.160 0.000 1.139 655 T CB -0.347 68.581 68.868 0.101 0.000 0.874 655 T HN 0.585 nan 8.240 nan 0.000 0.455 656 E N 1.093 121.391 120.200 0.162 0.000 2.077 656 E HA -0.143 3.214 4.350 -1.656 0.000 0.193 656 E C 2.336 179.026 176.600 0.151 0.000 0.989 656 E CA 1.271 57.758 56.400 0.145 0.000 0.800 656 E CB -0.228 29.538 29.700 0.110 0.000 0.746 656 E HN 0.525 nan 8.360 nan 0.000 0.452 657 S N 0.134 115.933 115.700 0.164 0.000 2.382 657 S HA -0.144 3.333 4.470 -1.656 0.000 0.228 657 S C 1.466 176.184 174.600 0.198 0.000 1.027 657 S CA 1.031 59.327 58.200 0.161 0.000 0.991 657 S CB -0.396 62.903 63.200 0.165 0.000 0.823 657 S HN 0.380 nan 8.310 nan 0.000 0.469 658 F N 2.245 122.260 119.950 0.107 0.000 2.186 658 F HA -0.066 3.467 4.527 -1.656 0.000 0.299 658 F C 1.799 177.691 175.800 0.154 0.000 1.090 658 F CA 0.919 59.001 58.000 0.136 0.000 1.307 658 F CB -0.207 38.854 39.000 0.101 0.000 1.019 658 F HN 0.096 nan 8.300 nan 0.000 0.489 659 I N 0.716 121.368 120.570 0.136 0.000 2.226 659 I HA -0.300 2.877 4.170 -1.656 0.000 0.245 659 I C 2.429 178.525 176.117 -0.035 0.000 1.100 659 I CA 1.491 62.816 61.300 0.042 0.000 1.374 659 I CB -1.343 36.727 38.000 0.117 0.000 1.057 659 I HN 0.215 nan 8.210 nan 0.000 0.413 660 K N 0.062 120.472 120.400 0.017 0.000 2.057 660 K HA -0.269 3.057 4.320 -1.656 0.000 0.207 660 K C 2.348 178.939 176.600 -0.015 0.000 1.049 660 K CA 1.646 57.941 56.287 0.014 0.000 0.931 660 K CB -0.222 32.308 32.500 0.050 0.000 0.714 660 K HN 0.282 nan 8.250 nan 0.000 0.440 661 H N 0.437 119.423 119.070 -0.139 0.000 2.353 661 H HA -0.070 3.493 4.556 -1.655 0.000 0.300 661 H C 1.964 177.148 175.328 -0.241 0.000 1.090 661 H CA 2.305 58.242 56.048 -0.184 0.000 1.327 661 H CB -0.071 29.554 29.762 -0.228 0.000 1.383 661 H HN 0.147 nan 8.280 nan 0.000 0.508 662 M N 0.112 119.425 119.600 -0.478 0.000 2.065 662 M HA -0.187 3.300 4.480 -1.656 0.000 0.259 662 M C 2.214 178.469 176.300 -0.076 0.000 1.069 662 M CA 2.174 57.274 55.300 -0.333 0.000 1.110 662 M CB -0.195 32.264 32.600 -0.234 0.000 1.328 662 M HN 0.461 nan 8.290 nan 0.000 0.405 663 E N 0.144 120.295 120.200 -0.082 0.000 2.038 663 E HA -0.209 3.148 4.350 -1.656 0.000 0.195 663 E C 1.742 178.329 176.600 -0.022 0.000 1.000 663 E CA 1.303 57.688 56.400 -0.025 0.000 0.803 663 E CB -0.395 29.284 29.700 -0.035 0.000 0.750 663 E HN 0.525 nan 8.360 nan 0.000 0.448 664 N N 1.058 119.714 118.700 -0.073 0.000 2.069 664 N HA -0.177 3.569 4.740 -1.656 0.000 0.191 664 N C 1.704 177.147 175.510 -0.110 0.000 1.031 664 N CA 1.066 54.077 53.050 -0.065 0.000 0.852 664 N CB -0.303 38.160 38.487 -0.040 0.000 1.018 664 N HN 0.200 nan 8.380 nan 0.000 0.423 665 E N 0.300 120.350 120.200 -0.251 0.000 2.085 665 E HA -0.154 3.202 4.350 -1.656 0.000 0.194 665 E C 1.998 178.452 176.600 -0.242 0.000 0.994 665 E CA 0.837 57.047 56.400 -0.318 0.000 0.801 665 E CB -0.471 28.903 29.700 -0.544 0.000 0.743 665 E HN 0.504 nan 8.360 nan 0.000 0.453 666 Y N 1.216 121.415 120.300 -0.169 0.000 2.181 666 Y HA -0.168 3.389 4.550 -1.656 0.000 0.288 666 Y C 2.495 178.348 175.900 -0.079 0.000 1.146 666 Y CA 1.895 59.933 58.100 -0.103 0.000 1.164 666 Y CB -0.104 38.308 38.460 -0.080 0.000 0.982 666 Y HN 0.074 nan 8.280 nan 0.000 0.515 667 R N -1.702 118.833 120.500 0.059 0.000 2.310 667 R HA 0.111 3.457 4.340 -1.656 0.000 0.202 667 R C 0.806 177.098 176.300 -0.014 0.000 0.933 667 R CA 1.087 57.201 56.100 0.023 0.000 1.054 667 R CB -0.706 29.608 30.300 0.024 0.000 0.985 667 R HN 0.243 nan 8.270 nan 0.000 0.489 668 C N -1.201 118.072 119.300 -0.046 0.000 3.730 668 C HA 0.385 3.851 4.460 -1.656 0.000 0.397 668 C C 1.731 176.679 174.990 -0.071 0.000 1.468 668 C CA -0.431 58.562 59.018 -0.043 0.000 1.931 668 C CB 0.132 27.858 27.740 -0.024 0.000 2.773 668 C HN 0.600 nan 8.230 nan 0.000 0.692 669 R N -0.018 120.408 120.500 -0.124 0.000 2.539 669 R HA 0.284 3.630 4.340 -1.656 0.000 0.342 669 R C 1.240 177.427 176.300 -0.188 0.000 0.941 669 R CA 0.973 56.982 56.100 -0.151 0.000 1.146 669 R CB 0.549 30.733 30.300 -0.192 0.000 1.541 669 R HN 0.380 nan 8.270 nan 0.000 0.525 670 G N -0.014 108.666 108.800 -0.200 0.000 2.157 670 G HA2 -0.141 2.825 3.960 -1.656 0.000 0.248 670 G HA3 -0.141 2.825 3.960 -1.656 0.000 0.248 670 G C 0.220 174.877 174.900 -0.405 0.000 0.979 670 G CA 0.005 44.972 45.100 -0.221 0.000 0.650 670 G HN 0.864 nan 8.290 nan 0.000 0.529 671 G N -2.309 106.068 108.800 -0.705 0.000 2.369 671 G HA2 0.505 3.471 3.960 -1.656 0.000 0.293 671 G HA3 0.505 3.471 3.960 -1.656 0.000 0.293 671 G C -0.746 173.653 174.900 -0.835 0.000 1.301 671 G CA 0.538 44.812 45.100 -1.376 0.000 0.913 671 G HN 1.951 nan 8.290 nan 0.000 0.540 672 C N 2.248 121.186 119.300 -0.603 0.000 2.887 672 C HA 0.667 4.134 4.460 -1.656 0.000 0.379 672 C C -2.468 172.406 174.990 -0.194 0.000 1.064 672 C CA -1.012 57.833 59.018 -0.288 0.000 1.282 672 C CB 0.835 28.424 27.740 -0.251 0.000 1.749 672 C HN 0.757 nan 8.230 nan 0.000 0.489 673 P HA 0.392 nan 4.420 nan 0.000 0.265 673 P C -0.617 176.564 177.300 -0.198 0.000 1.193 673 P CA 0.628 63.311 63.100 -0.695 0.000 0.765 673 P CB 1.077 32.210 31.700 -0.945 0.000 0.823 674 A N 2.202 124.972 122.820 -0.083 0.000 2.517 674 A HA 0.399 3.725 4.320 -1.656 0.000 0.297 674 A C -1.216 176.420 177.584 0.085 0.000 1.050 674 A CA -0.559 51.532 52.037 0.091 0.000 0.694 674 A CB 1.282 20.472 19.000 0.316 0.000 1.277 674 A HN 0.457 nan 8.150 nan 0.000 0.400 675 D N 1.905 122.348 120.400 0.071 0.000 2.467 675 D HA 0.166 3.812 4.640 -1.656 0.000 0.220 675 D C 0.808 177.239 176.300 0.218 0.000 1.103 675 D CA -0.495 53.581 54.000 0.126 0.000 0.886 675 D CB 0.306 41.133 40.800 0.046 0.000 1.025 675 D HN 0.582 nan 8.370 nan 0.000 0.514 676 W N 3.837 125.168 121.300 0.052 0.000 2.321 676 W HA -0.279 3.388 4.660 -1.655 0.000 0.306 676 W C 1.704 178.253 176.519 0.050 0.000 1.217 676 W CA 1.260 58.623 57.345 0.030 0.000 1.257 676 W CB 0.034 29.490 29.460 -0.007 0.000 1.145 676 W HN 0.306 nan 8.180 nan 0.000 0.509 677 V N -0.545 119.676 119.914 0.511 0.000 2.453 677 V HA -0.323 2.804 4.120 -1.656 0.000 0.252 677 V C 1.540 177.761 176.094 0.211 0.000 1.068 677 V CA 2.114 64.654 62.300 0.400 0.000 1.070 677 V CB -0.935 31.117 31.823 0.380 0.000 0.664 677 V HN 0.319 nan 8.190 nan 0.000 0.461 678 W N -1.387 119.911 121.300 -0.004 0.000 2.630 678 W HA 0.223 3.889 4.660 -1.657 0.000 0.271 678 W C 2.193 178.615 176.519 -0.161 0.000 1.244 678 W CA -0.006 57.303 57.345 -0.060 0.000 1.353 678 W CB -0.081 29.366 29.460 -0.022 0.000 1.080 678 W HN 0.077 nan 8.180 nan 0.000 0.594 679 I N -0.068 120.486 120.570 -0.026 0.000 2.286 679 I HA -0.095 3.081 4.170 -1.656 0.000 0.245 679 I C 0.661 176.579 176.117 -0.332 0.000 1.104 679 I CA 0.857 62.004 61.300 -0.254 0.000 1.397 679 I CB -1.576 36.189 38.000 -0.391 0.000 1.072 679 I HN -0.413 nan 8.210 nan 0.000 0.417 680 V N 4.055 123.680 119.914 -0.482 0.000 2.485 680 V HA 0.063 3.190 4.120 -1.656 0.000 0.287 680 V C -1.875 174.039 176.094 -0.301 0.000 1.022 680 V CA -1.033 60.965 62.300 -0.504 0.000 1.067 680 V CB -0.057 31.211 31.823 -0.925 0.000 0.967 680 V HN 0.135 nan 8.190 nan 0.000 0.479 681 P HA 0.072 nan 4.420 nan 0.000 0.267 681 P C -1.808 175.361 177.300 -0.218 0.000 1.201 681 P CA -0.933 62.043 63.100 -0.207 0.000 0.775 681 P CB 0.027 31.613 31.700 -0.191 0.000 0.854 682 P HA -0.002 nan 4.420 nan 0.000 0.247 682 P C -0.093 177.093 177.300 -0.191 0.000 1.225 682 P CA 1.071 64.050 63.100 -0.201 0.000 0.768 682 P CB -0.049 31.526 31.700 -0.208 0.000 1.020 683 M N -4.532 114.925 119.600 -0.238 0.000 2.520 683 M HA 0.484 3.971 4.480 -1.656 0.000 0.283 683 M C -0.452 175.743 176.300 -0.175 0.000 1.237 683 M CA -0.563 54.612 55.300 -0.208 0.000 0.885 683 M CB 1.947 34.395 32.600 -0.252 0.000 1.727 683 M HN -0.334 nan 8.290 nan 0.000 0.468 684 S N 0.671 116.321 115.700 -0.085 0.000 3.533 684 S HA -0.188 3.288 4.470 -1.656 0.000 0.347 684 S C 1.129 175.707 174.600 -0.037 0.000 1.101 684 S CA 0.936 59.124 58.200 -0.020 0.000 1.009 684 S CB -2.084 61.174 63.200 0.097 0.000 0.916 684 S HN 1.259 nan 8.310 nan 0.000 0.496 685 G N 2.457 111.214 108.800 -0.073 0.000 2.681 685 G HA2 -0.379 2.588 3.960 -1.656 0.000 0.220 685 G HA3 -0.379 2.588 3.960 -1.656 0.000 0.220 685 G C 1.500 176.313 174.900 -0.146 0.000 1.210 685 G CA 1.813 46.888 45.100 -0.041 0.000 0.783 685 G HN 1.364 nan 8.290 nan 0.000 0.609 686 S N 0.821 116.152 115.700 -0.616 0.000 2.507 686 S HA -0.002 3.475 4.470 -1.656 0.000 0.235 686 S C 2.173 176.723 174.600 -0.084 0.000 0.988 686 S CA 1.141 58.811 58.200 -0.884 0.000 0.944 686 S CB -0.452 62.024 63.200 -1.207 0.000 0.762 686 S HN 0.806 nan 8.310 nan 0.000 0.526 687 I N 0.656 121.231 120.570 0.008 0.000 3.793 687 I HA 0.220 3.397 4.170 -1.656 0.000 0.315 687 I C 0.447 176.695 176.117 0.219 0.000 1.275 687 I CA -0.211 61.171 61.300 0.137 0.000 1.214 687 I CB -0.691 37.389 38.000 0.134 0.000 1.018 687 I HN 0.212 nan 8.210 nan 0.000 0.439 688 T N -1.446 113.229 114.554 0.203 0.000 2.902 688 T HA 0.437 3.794 4.350 -1.656 0.000 0.283 688 T C -1.495 173.375 174.700 0.282 0.000 1.009 688 T CA -1.892 60.336 62.100 0.214 0.000 1.051 688 T CB 1.683 70.624 68.868 0.121 0.000 0.999 688 T HN -0.085 nan 8.240 nan 0.000 0.474 689 P HA -0.091 nan 4.420 nan 0.000 0.218 689 P C 1.832 179.326 177.300 0.323 0.000 1.149 689 P CA 1.058 64.347 63.100 0.316 0.000 0.817 689 P CB -0.336 31.496 31.700 0.220 0.000 0.785 690 V N -3.457 116.587 119.914 0.217 0.000 2.594 690 V HA -0.215 2.912 4.120 -1.656 0.000 0.253 690 V C 2.384 178.524 176.094 0.077 0.000 1.069 690 V CA 1.336 63.720 62.300 0.140 0.000 1.082 690 V CB -2.308 29.513 31.823 -0.003 0.000 0.680 690 V HN -0.103 nan 8.190 nan 0.000 0.469 691 F N 1.760 121.672 119.950 -0.063 0.000 2.161 691 F HA -0.166 3.367 4.527 -1.656 0.000 0.300 691 F C 2.427 178.326 175.800 0.164 0.000 1.089 691 F CA 2.227 60.194 58.000 -0.055 0.000 1.282 691 F CB -0.260 38.614 39.000 -0.211 0.000 1.010 691 F HN 0.278 nan 8.300 nan 0.000 0.485 692 H N -0.840 118.548 119.070 0.530 0.000 2.533 692 H HA 0.104 3.667 4.556 -1.656 0.000 0.271 692 H C 0.189 175.754 175.328 0.395 0.000 1.000 692 H CA 0.174 56.496 56.048 0.457 0.000 1.149 692 H CB -0.177 29.840 29.762 0.425 0.000 1.375 692 H HN 0.267 nan 8.280 nan 0.000 0.582 693 Q N 1.947 122.011 119.800 0.439 0.000 2.340 693 Q HA 0.150 3.497 4.340 -1.656 0.000 0.259 693 Q C -0.570 175.659 176.000 0.381 0.000 0.964 693 Q CA -0.424 55.596 55.803 0.362 0.000 0.900 693 Q CB 0.744 29.662 28.738 0.300 0.000 1.228 693 Q HN 0.218 nan 8.270 nan 0.000 0.449 694 E N 3.666 124.039 120.200 0.288 0.000 2.392 694 E HA 0.192 3.549 4.350 -1.656 0.000 0.264 694 E C -0.516 176.211 176.600 0.212 0.000 1.024 694 E CA 0.422 56.948 56.400 0.211 0.000 0.903 694 E CB 0.733 30.543 29.700 0.184 0.000 0.963 694 E HN 0.609 nan 8.360 nan 0.000 0.432 695 M N 2.595 122.327 119.600 0.219 0.000 2.572 695 M HA 0.408 3.895 4.480 -1.656 0.000 0.299 695 M C -1.012 175.397 176.300 0.183 0.000 1.205 695 M CA -0.701 54.744 55.300 0.241 0.000 0.876 695 M CB 1.777 34.573 32.600 0.325 0.000 1.728 695 M HN 0.229 nan 8.290 nan 0.000 0.458 696 L N 1.691 123.035 121.223 0.202 0.000 2.322 696 L HA 0.520 3.866 4.340 -1.656 0.000 0.281 696 L C -0.510 176.432 176.870 0.120 0.000 1.014 696 L CA -0.419 54.541 54.840 0.199 0.000 0.815 696 L CB 1.625 43.869 42.059 0.309 0.000 1.247 696 L HN 0.712 nan 8.230 nan 0.000 0.421 697 N N 2.745 121.512 118.700 0.112 0.000 2.392 697 N HA 0.562 4.309 4.740 -1.656 0.000 0.283 697 N C -1.764 173.813 175.510 0.113 0.000 1.003 697 N CA -0.416 52.632 53.050 -0.003 0.000 0.892 697 N CB 1.419 39.927 38.487 0.034 0.000 1.193 697 N HN 0.481 nan 8.380 nan 0.000 0.487 698 Y N -0.070 120.251 120.300 0.034 0.000 2.624 698 Y HA 0.471 4.027 4.550 -1.655 0.000 0.334 698 Y C -1.321 174.585 175.900 0.010 0.000 1.155 698 Y CA -1.356 56.760 58.100 0.028 0.000 1.046 698 Y CB 0.763 39.251 38.460 0.048 0.000 1.316 698 Y HN 0.214 nan 8.280 nan 0.000 0.457 699 R N 2.645 123.257 120.500 0.187 0.000 2.255 699 R HA 0.682 4.028 4.340 -1.656 0.000 0.326 699 R C -1.298 175.068 176.300 0.111 0.000 0.986 699 R CA -0.676 55.475 56.100 0.085 0.000 0.847 699 R CB 1.457 31.786 30.300 0.048 0.000 1.111 699 R HN 0.676 nan 8.270 nan 0.000 0.452 700 L N 1.016 122.277 121.223 0.062 0.000 2.322 700 L HA 0.556 3.903 4.340 -1.656 0.000 0.269 700 L C 0.337 177.210 176.870 0.005 0.000 1.012 700 L CA -0.837 54.036 54.840 0.054 0.000 0.815 700 L CB 2.228 44.320 42.059 0.055 0.000 1.295 700 L HN 0.516 nan 8.230 nan 0.000 0.438 701 T N 0.940 115.504 114.554 0.017 0.000 2.887 701 T HA 0.553 3.910 4.350 -1.656 0.000 0.288 701 T C -2.621 172.106 174.700 0.045 0.000 1.021 701 T CA -1.772 60.327 62.100 -0.001 0.000 1.000 701 T CB 1.946 70.817 68.868 0.006 0.000 1.034 701 T HN 0.221 nan 8.240 nan 0.000 0.467 702 P HA 0.268 nan 4.420 nan 0.000 0.268 702 P C -1.102 176.087 177.300 -0.185 0.000 1.208 702 P CA -0.091 62.945 63.100 -0.106 0.000 0.777 702 P CB 0.477 32.095 31.700 -0.137 0.000 0.875 703 S N 0.131 115.669 115.700 -0.270 0.000 2.625 703 S HA 0.670 4.147 4.470 -1.656 0.000 0.271 703 S C -1.442 172.899 174.600 -0.431 0.000 1.161 703 S CA -0.845 57.171 58.200 -0.307 0.000 0.820 703 S CB 0.766 63.881 63.200 -0.141 0.000 1.137 703 S HN 0.141 nan 8.310 nan 0.000 0.470 704 F N 1.170 121.037 119.950 -0.137 0.000 2.436 704 F HA 0.640 4.173 4.527 -1.656 0.000 0.340 704 F C 0.710 176.392 175.800 -0.197 0.000 1.113 704 F CA -0.370 57.538 58.000 -0.153 0.000 1.022 704 F CB 1.605 40.477 39.000 -0.214 0.000 1.128 704 F HN 0.504 nan 8.300 nan 0.000 0.466 705 E N 2.071 122.279 120.200 0.013 0.000 2.359 705 E HA 0.304 3.661 4.350 -1.656 0.000 0.266 705 E C -1.334 175.201 176.600 -0.108 0.000 0.920 705 E CA -0.919 55.427 56.400 -0.090 0.000 0.788 705 E CB 2.152 31.848 29.700 -0.005 0.000 1.279 705 E HN 0.432 nan 8.360 nan 0.000 0.438 706 Y N 0.759 121.070 120.300 0.018 0.000 2.298 706 Y HA 0.226 3.782 4.550 -1.657 0.000 0.329 706 Y C 0.976 176.863 175.900 -0.021 0.000 1.293 706 Y CA -0.177 57.921 58.100 -0.004 0.000 1.388 706 Y CB 0.914 39.362 38.460 -0.020 0.000 1.309 706 Y HN 0.286 nan 8.280 nan 0.000 0.544 707 Q N 0.220 120.093 119.800 0.121 0.000 2.418 707 Q HA 0.563 3.910 4.340 -1.656 0.000 0.282 707 Q C -3.149 172.808 176.000 -0.072 0.000 1.044 707 Q CA -2.437 53.373 55.803 0.012 0.000 0.813 707 Q CB 1.700 30.432 28.738 -0.011 0.000 1.428 707 Q HN 0.308 nan 8.270 nan 0.000 0.402 708 P HA 0.045 nan 4.420 nan 0.000 0.266 708 P C -0.929 176.146 177.300 -0.376 0.000 1.195 708 P CA 0.125 63.097 63.100 -0.212 0.000 0.768 708 P CB 0.360 31.954 31.700 -0.177 0.000 0.838 709 D N 4.377 124.434 120.400 -0.571 0.000 2.488 709 D HA -0.038 3.609 4.640 -1.656 0.000 0.238 709 D C -0.982 174.688 176.300 -1.049 0.000 1.138 709 D CA -0.919 52.451 54.000 -1.050 0.000 0.873 709 D CB 0.476 40.160 40.800 -1.859 0.000 1.183 709 D HN 0.278 nan 8.370 nan 0.000 0.458 710 P HA -0.166 nan 4.420 nan 0.000 0.216 710 P C 1.396 178.180 177.300 -0.859 0.000 1.153 710 P CA 1.324 63.839 63.100 -0.976 0.000 0.858 710 P CB -0.232 30.595 31.700 -1.455 0.000 0.789 711 W N 0.579 121.342 121.300 -0.896 0.000 2.747 711 W HA 0.059 3.723 4.660 -1.661 0.000 0.244 711 W C 0.644 177.169 176.519 0.011 0.000 1.270 711 W CA 0.228 57.398 57.345 -0.291 0.000 1.333 711 W CB -1.842 27.631 29.460 0.021 0.000 1.139 711 W HN -0.126 nan 8.180 nan 0.000 0.662 712 N N 0.109 118.674 118.700 -0.225 0.000 2.275 712 N HA 0.107 3.854 4.740 -1.656 0.000 0.236 712 N C 0.175 175.651 175.510 -0.056 0.000 1.154 712 N CA 0.643 53.653 53.050 -0.068 0.000 0.866 712 N CB 0.819 39.193 38.487 -0.189 0.000 1.093 712 N HN 0.189 nan 8.380 nan 0.000 0.515 713 T N -2.243 112.288 114.554 -0.038 0.000 3.207 713 T HA -0.019 3.338 4.350 -1.656 0.000 0.277 713 T C -0.207 174.533 174.700 0.065 0.000 0.865 713 T CA -0.310 61.781 62.100 -0.014 0.000 0.857 713 T CB 0.464 69.278 68.868 -0.090 0.000 1.240 713 T HN 0.165 nan 8.240 nan 0.000 0.618 714 H N 3.750 122.797 119.070 -0.037 0.000 2.878 714 H HA 0.401 3.965 4.556 -1.654 0.000 0.290 714 H C 0.270 175.589 175.328 -0.014 0.000 1.065 714 H CA -0.682 55.314 56.048 -0.087 0.000 1.477 714 H CB 0.435 30.073 29.762 -0.208 0.000 1.484 714 H HN 0.108 nan 8.280 nan 0.000 0.504 715 V N 4.387 124.126 119.914 -0.291 0.000 2.223 715 V HA 0.174 3.301 4.120 -1.656 0.000 0.249 715 V C 0.155 175.955 176.094 -0.490 0.000 1.233 715 V CA -1.156 61.018 62.300 -0.211 0.000 1.131 715 V CB -1.483 30.291 31.823 -0.082 0.000 1.298 715 V HN 0.554 nan 8.190 nan 0.000 0.498 716 W N 0.000 120.972 121.300 -0.547 0.000 2.388 716 W HA 0.000 3.663 4.660 -1.661 0.000 0.303 716 W CA 0.000 57.099 57.345 -0.410 0.000 1.226 716 W CB 0.000 29.379 29.460 -0.135 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535