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 3jx6_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIVLP XXXXXXXXXX DATA SEQUENCE XTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRNY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEAQP 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 0.000 176.635 176.300 0.559 0.000 0.893 299 R CA 0.000 56.260 56.100 0.266 0.000 0.921 299 R CB 0.000 30.371 30.300 0.119 0.000 0.687 300 F N 2.300 122.315 119.950 0.108 0.000 2.404 300 F HA 0.586 5.665 4.527 0.920 0.000 0.339 300 F C -0.159 175.684 175.800 0.072 0.000 1.105 300 F CA -0.960 57.111 58.000 0.118 0.000 1.087 300 F CB 1.506 40.541 39.000 0.058 0.000 1.143 300 F HN -0.057 nan 8.300 nan 0.000 0.491 301 L N 3.369 124.709 121.223 0.194 0.000 2.410 301 L HA 0.458 5.349 4.340 0.920 0.000 0.270 301 L C -0.498 176.413 176.870 0.068 0.000 0.983 301 L CA -0.854 54.023 54.840 0.062 0.000 0.822 301 L CB 2.456 44.448 42.059 -0.111 0.000 1.285 301 L HN 0.458 nan 8.230 nan 0.000 0.409 302 K N 2.479 122.907 120.400 0.046 0.000 2.183 302 K HA 0.543 5.415 4.320 0.920 0.000 0.274 302 K C -0.813 175.788 176.600 0.003 0.000 1.009 302 K CA -0.648 55.650 56.287 0.019 0.000 0.888 302 K CB 2.112 34.613 32.500 0.001 0.000 1.078 302 K HN 0.388 nan 8.250 nan 0.000 0.459 303 V N 0.502 120.393 119.914 -0.039 0.000 2.398 303 V HA 0.449 5.120 4.120 0.920 0.000 0.286 303 V C -0.323 175.696 176.094 -0.125 0.000 1.026 303 V CA -0.930 61.336 62.300 -0.058 0.000 0.868 303 V CB 1.106 32.876 31.823 -0.088 0.000 0.982 303 V HN 0.694 nan 8.190 nan 0.000 0.443 304 K N 3.836 124.165 120.400 -0.118 0.000 2.182 304 K HA 0.405 5.276 4.320 0.920 0.000 0.262 304 K C -0.496 175.970 176.600 -0.223 0.000 0.957 304 K CA -0.636 55.489 56.287 -0.270 0.000 0.842 304 K CB 1.435 33.624 32.500 -0.518 0.000 1.099 304 K HN 0.856 nan 8.250 nan 0.000 0.438 305 N N 4.004 122.581 118.700 -0.206 0.000 2.422 305 N HA 0.092 5.384 4.740 0.920 0.000 0.266 305 N C -0.395 175.060 175.510 -0.093 0.000 1.007 305 N CA -0.311 52.715 53.050 -0.040 0.000 0.941 305 N CB 0.532 39.028 38.487 0.016 0.000 1.115 305 N HN 0.698 nan 8.380 nan 0.000 0.492 306 W N 2.016 123.396 121.300 0.133 0.000 3.139 306 W HA 0.193 5.404 4.660 0.919 0.000 0.260 306 W C 1.998 178.581 176.519 0.107 0.000 1.312 306 W CA -0.251 57.170 57.345 0.127 0.000 1.606 306 W CB 0.488 30.047 29.460 0.164 0.000 1.118 306 W HN 0.649 nan 8.180 nan 0.000 0.675 307 E N -0.266 120.073 120.200 0.232 0.000 2.099 307 E HA -0.108 4.794 4.350 0.920 0.000 0.191 307 E C 1.935 178.552 176.600 0.029 0.000 0.962 307 E CA 1.673 58.105 56.400 0.054 0.000 0.826 307 E CB 0.097 29.759 29.700 -0.063 0.000 0.788 307 E HN 0.177 nan 8.360 nan 0.000 0.461 308 T N -2.178 112.388 114.554 0.021 0.000 3.086 308 T HA 0.081 4.982 4.350 0.920 0.000 0.250 308 T C 0.286 174.960 174.700 -0.043 0.000 1.074 308 T CA 0.416 62.510 62.100 -0.010 0.000 0.988 308 T CB 0.234 69.097 68.868 -0.009 0.000 0.988 308 T HN 0.012 nan 8.240 nan 0.000 0.530 309 D N 0.208 120.562 120.400 -0.077 0.000 3.070 309 D HA -0.124 5.068 4.640 0.920 0.000 0.220 309 D C -0.252 175.952 176.300 -0.160 0.000 1.176 309 D CA 0.515 54.424 54.000 -0.152 0.000 0.924 309 D CB -1.907 38.829 40.800 -0.107 0.000 1.124 309 D HN 0.452 nan 8.370 nan 0.000 0.411 310 V N 0.850 120.686 119.914 -0.129 0.000 2.508 310 V HA 0.238 4.910 4.120 0.920 0.000 0.281 310 V C 0.873 176.870 176.094 -0.161 0.000 1.041 310 V CA -0.361 61.867 62.300 -0.121 0.000 1.016 310 V CB 1.790 33.559 31.823 -0.089 0.000 0.984 310 V HN -0.069 nan 8.190 nan 0.000 0.478 311 V N 7.298 127.122 119.914 -0.150 0.000 2.357 311 V HA 0.459 5.131 4.120 0.920 0.000 0.284 311 V C -0.046 175.959 176.094 -0.149 0.000 1.018 311 V CA -0.378 61.828 62.300 -0.158 0.000 0.841 311 V CB 1.328 33.071 31.823 -0.133 0.000 0.991 311 V HN 0.625 nan 8.190 nan 0.000 0.437 312 L N 3.737 124.832 121.223 -0.215 0.000 2.334 312 L HA 0.688 5.580 4.340 0.920 0.000 0.270 312 L C 0.214 177.014 176.870 -0.117 0.000 1.018 312 L CA -0.369 54.316 54.840 -0.259 0.000 0.811 312 L CB 2.120 43.759 42.059 -0.700 0.000 1.271 312 L HN 0.502 nan 8.230 nan 0.000 0.443 313 T N 0.052 114.637 114.554 0.051 0.000 2.786 313 T HA 0.204 5.106 4.350 0.920 0.000 0.283 313 T C -0.854 173.993 174.700 0.245 0.000 0.992 313 T CA -0.474 61.695 62.100 0.114 0.000 0.954 313 T CB 1.186 70.078 68.868 0.041 0.000 0.934 313 T HN 0.417 nan 8.240 nan 0.000 0.440 314 D N 2.227 122.768 120.400 0.235 0.000 2.232 314 D HA 0.249 5.440 4.640 0.920 0.000 0.242 314 D C 0.870 177.150 176.300 -0.034 0.000 1.093 314 D CA -0.266 53.826 54.000 0.153 0.000 0.845 314 D CB 1.597 42.554 40.800 0.263 0.000 1.124 314 D HN 0.627 nan 8.370 nan 0.000 0.467 315 T N 0.916 115.350 114.554 -0.199 0.000 2.959 315 T HA -0.013 4.889 4.350 0.920 0.000 0.254 315 T C 1.767 176.279 174.700 -0.313 0.000 1.003 315 T CA -0.256 61.628 62.100 -0.361 0.000 0.950 315 T CB 0.139 68.691 68.868 -0.526 0.000 1.090 315 T HN 0.235 nan 8.240 nan 0.000 0.503 316 L N 2.875 123.965 121.223 -0.221 0.000 2.201 316 L HA 0.001 4.893 4.340 0.920 0.000 0.212 316 L C 2.599 179.283 176.870 -0.309 0.000 1.105 316 L CA 1.596 56.321 54.840 -0.192 0.000 0.775 316 L CB -0.762 41.247 42.059 -0.084 0.000 0.913 316 L HN 0.549 nan 8.230 nan 0.000 0.440 317 H N -0.953 117.746 119.070 -0.617 0.000 2.456 317 H HA -0.152 4.956 4.556 0.919 0.000 0.296 317 H C 1.816 176.865 175.328 -0.465 0.000 1.079 317 H CA 1.650 57.059 56.048 -1.064 0.000 1.322 317 H CB -0.708 28.354 29.762 -1.167 0.000 1.388 317 H HN 0.433 nan 8.280 nan 0.000 0.538 318 L N 0.575 121.232 121.223 -0.942 0.000 2.465 318 L HA -0.037 4.855 4.340 0.920 0.000 0.224 318 L C 1.988 178.697 176.870 -0.267 0.000 1.145 318 L CA 0.863 55.377 54.840 -0.543 0.000 0.834 318 L CB -0.121 41.665 42.059 -0.455 0.000 0.944 318 L HN 0.166 nan 8.230 nan 0.000 0.451 319 K N -0.175 120.085 120.400 -0.233 0.000 2.404 319 K HA 0.084 4.955 4.320 0.920 0.000 0.194 319 K C 0.946 177.513 176.600 -0.055 0.000 1.023 319 K CA -0.055 56.163 56.287 -0.114 0.000 1.094 319 K CB 0.280 32.726 32.500 -0.089 0.000 0.841 319 K HN 0.252 nan 8.250 nan 0.000 0.523 320 S N -0.307 115.349 115.700 -0.073 0.000 2.592 320 S HA 0.091 5.113 4.470 0.920 0.000 0.271 320 S C 0.815 175.429 174.600 0.023 0.000 1.326 320 S CA -0.143 58.074 58.200 0.028 0.000 1.024 320 S CB 1.709 64.948 63.200 0.065 0.000 0.921 320 S HN 0.066 nan 8.310 nan 0.000 0.527 321 T N 2.108 116.691 114.554 0.049 0.000 3.176 321 T HA 0.320 5.222 4.350 0.920 0.000 0.259 321 T C 0.564 175.286 174.700 0.038 0.000 0.978 321 T CA -0.169 61.952 62.100 0.034 0.000 1.050 321 T CB -0.515 68.370 68.868 0.028 0.000 1.136 321 T HN 0.591 nan 8.240 nan 0.000 0.465 322 L N 1.873 123.123 121.223 0.045 0.000 2.468 322 L HA 0.441 5.333 4.340 0.920 0.000 0.253 322 L C 0.295 177.193 176.870 0.046 0.000 1.237 322 L CA -0.183 54.681 54.840 0.039 0.000 0.823 322 L CB 0.187 42.266 42.059 0.033 0.000 1.124 322 L HN 0.226 nan 8.230 nan 0.000 0.504 323 E N -1.458 118.765 120.200 0.038 0.000 2.212 323 E HA 0.214 5.116 4.350 0.920 0.000 0.270 323 E C 0.246 176.870 176.600 0.041 0.000 0.956 323 E CA -0.097 56.327 56.400 0.041 0.000 0.825 323 E CB 1.716 31.435 29.700 0.033 0.000 1.167 323 E HN 0.678 nan 8.360 nan 0.000 0.400 324 T N -1.372 113.210 114.554 0.046 0.000 3.037 324 T HA 0.280 5.182 4.350 0.920 0.000 0.252 324 T C 1.363 176.085 174.700 0.036 0.000 1.073 324 T CA 0.509 62.636 62.100 0.045 0.000 1.091 324 T CB 0.283 69.187 68.868 0.060 0.000 0.935 324 T HN 0.723 nan 8.240 nan 0.000 0.488 325 G N 0.612 109.433 108.800 0.035 0.000 2.349 325 G HA2 -0.243 4.269 3.960 0.920 0.000 0.213 325 G HA3 -0.243 4.269 3.960 0.920 0.000 0.213 325 G C 0.364 175.287 174.900 0.038 0.000 1.044 325 G CA -0.265 44.856 45.100 0.035 0.000 0.633 325 G HN 0.746 nan 8.290 nan 0.000 0.506 326 C N 2.548 121.872 119.300 0.040 0.000 2.657 326 C HA 0.716 5.728 4.460 0.920 0.000 0.404 326 C C 1.253 176.266 174.990 0.038 0.000 1.291 326 C CA 0.710 59.752 59.018 0.039 0.000 2.218 326 C CB 0.539 28.300 27.740 0.036 0.000 2.687 326 C HN 1.008 nan 8.230 nan 0.000 0.634 327 T N -1.088 113.490 114.554 0.040 0.000 2.807 327 T HA 0.377 5.279 4.350 0.920 0.000 0.277 327 T C 0.510 175.213 174.700 0.005 0.000 1.006 327 T CA -0.548 61.573 62.100 0.034 0.000 1.006 327 T CB 0.954 69.863 68.868 0.068 0.000 1.274 327 T HN 0.612 nan 8.240 nan 0.000 0.569 328 E N -0.577 119.594 120.200 -0.048 0.000 2.268 328 E HA -0.102 4.800 4.350 0.920 0.000 0.195 328 E C 1.718 178.205 176.600 -0.187 0.000 0.995 328 E CA 0.959 57.278 56.400 -0.134 0.000 0.836 328 E CB -0.087 29.490 29.700 -0.206 0.000 0.763 328 E HN 0.531 nan 8.360 nan 0.000 0.491 329 H N -1.079 117.995 119.070 0.007 0.000 2.451 329 H HA 0.265 5.372 4.556 0.920 0.000 0.294 329 H C 0.361 175.692 175.328 0.005 0.000 1.028 329 H CA 0.555 56.606 56.048 0.006 0.000 1.349 329 H CB 0.756 30.522 29.762 0.006 0.000 1.444 329 H HN 0.089 nan 8.280 nan 0.000 0.538 330 I N 0.716 121.361 120.570 0.125 0.000 2.548 330 I HA 0.162 4.884 4.170 0.920 0.000 0.287 330 I C -0.969 175.178 176.117 0.049 0.000 1.103 330 I CA -0.565 60.781 61.300 0.077 0.000 1.049 330 I CB 1.487 39.530 38.000 0.072 0.000 1.232 330 I HN 0.041 nan 8.210 nan 0.000 0.429 331 C N 7.648 126.968 119.300 0.034 0.000 2.369 331 C HA 0.529 5.540 4.460 0.920 0.000 0.358 331 C C 0.778 175.788 174.990 0.033 0.000 1.274 331 C CA -0.369 58.665 59.018 0.027 0.000 1.935 331 C CB 0.242 27.989 27.740 0.012 0.000 2.431 331 C HN 0.888 nan 8.230 nan 0.000 0.545 332 M N 4.944 124.568 119.600 0.040 0.000 2.785 332 M HA 0.213 5.245 4.480 0.920 0.000 0.374 332 M C 1.746 178.083 176.300 0.061 0.000 1.221 332 M CA -0.022 55.307 55.300 0.048 0.000 0.912 332 M CB 0.354 32.982 32.600 0.047 0.000 1.355 332 M HN 0.991 nan 8.290 nan 0.000 0.513 333 G N 0.887 109.722 108.800 0.059 0.000 2.485 333 G HA2 -0.230 4.282 3.960 0.920 0.000 0.221 333 G HA3 -0.230 4.282 3.960 0.920 0.000 0.221 333 G C 1.453 176.430 174.900 0.127 0.000 1.115 333 G CA 1.593 46.741 45.100 0.081 0.000 0.751 333 G HN 0.572 nan 8.290 nan 0.000 0.567 334 S N -0.569 115.199 115.700 0.113 0.000 2.540 334 S HA 0.364 5.386 4.470 0.920 0.000 0.218 334 S C 0.679 175.368 174.600 0.148 0.000 0.977 334 S CA -0.619 57.667 58.200 0.143 0.000 0.918 334 S CB 0.097 63.358 63.200 0.101 0.000 0.806 334 S HN 0.083 nan 8.310 nan 0.000 0.496 335 I N 2.817 123.464 120.570 0.128 0.000 2.352 335 I HA 0.163 4.885 4.170 0.920 0.000 0.290 335 I C 1.491 177.701 176.117 0.156 0.000 1.036 335 I CA -0.168 61.202 61.300 0.117 0.000 1.336 335 I CB 1.342 39.390 38.000 0.080 0.000 1.407 335 I HN 0.030 nan 8.210 nan 0.000 0.497 336 V N 7.435 127.461 119.914 0.187 0.000 2.407 336 V HA -0.168 4.504 4.120 0.920 0.000 0.248 336 V C 1.075 177.254 176.094 0.142 0.000 1.055 336 V CA 1.528 63.979 62.300 0.252 0.000 1.049 336 V CB -0.438 31.540 31.823 0.258 0.000 0.662 336 V HN 0.561 nan 8.190 nan 0.000 0.455 337 L N 1.632 122.911 121.223 0.093 0.000 2.488 337 L HA 0.395 5.287 4.340 0.920 0.000 0.250 337 L C -2.173 174.721 176.870 0.040 0.000 1.280 337 L CA -1.131 53.740 54.840 0.052 0.000 0.929 337 L CB 1.159 43.245 42.059 0.046 0.000 1.200 337 L HN 0.246 nan 8.230 nan 0.000 0.495 351 K N 0.545 120.965 120.400 0.034 0.000 2.057 351 K HA -0.095 4.776 4.320 0.920 0.000 0.207 351 K C 0.998 177.633 176.600 0.058 0.000 1.049 351 K CA 1.540 57.852 56.287 0.042 0.000 0.931 351 K CB -0.208 32.305 32.500 0.022 0.000 0.714 351 K HN 0.431 nan 8.250 nan 0.000 0.440 352 D N 1.713 122.143 120.400 0.050 0.000 2.075 352 D HA -0.119 5.073 4.640 0.920 0.000 0.196 352 D C 2.130 178.480 176.300 0.084 0.000 0.985 352 D CA 1.102 55.141 54.000 0.065 0.000 0.834 352 D CB -0.379 40.447 40.800 0.044 0.000 0.987 352 D HN 0.237 nan 8.370 nan 0.000 0.452 353 Q N 0.015 119.851 119.800 0.060 0.000 2.224 353 Q HA -0.227 4.665 4.340 0.920 0.000 0.213 353 Q C 2.149 178.189 176.000 0.067 0.000 0.998 353 Q CA 1.079 56.914 55.803 0.053 0.000 0.895 353 Q CB -0.278 28.483 28.738 0.038 0.000 0.926 353 Q HN 0.218 nan 8.270 nan 0.000 0.417 354 L N -0.373 120.905 121.223 0.092 0.000 2.131 354 L HA -0.038 4.854 4.340 0.920 0.000 0.206 354 L C 1.979 178.930 176.870 0.135 0.000 1.087 354 L CA 1.354 56.264 54.840 0.117 0.000 0.767 354 L CB -0.449 41.693 42.059 0.139 0.000 0.917 354 L HN 0.109 nan 8.230 nan 0.000 0.441 355 F N 1.914 121.864 119.950 0.000 0.000 2.113 355 F HA -0.005 5.073 4.527 0.919 0.000 0.297 355 F C -0.583 175.208 175.800 -0.015 0.000 1.103 355 F CA 1.116 59.094 58.000 -0.036 0.000 1.248 355 F CB -1.665 37.306 39.000 -0.049 0.000 0.999 355 F HN 0.155 nan 8.300 nan 0.000 0.475 356 P HA -0.189 nan 4.420 nan 0.000 0.218 356 P C 2.156 179.358 177.300 -0.164 0.000 1.148 356 P CA 1.673 64.649 63.100 -0.206 0.000 0.822 356 P CB -0.252 31.422 31.700 -0.044 0.000 0.784 357 L N -0.575 120.606 121.223 -0.069 0.000 2.046 357 L HA -0.149 4.743 4.340 0.920 0.000 0.208 357 L C 2.765 179.645 176.870 0.017 0.000 1.077 357 L CA 1.660 56.500 54.840 -0.001 0.000 0.747 357 L CB -1.251 40.831 42.059 0.038 0.000 0.896 357 L HN -0.048 nan 8.230 nan 0.000 0.432 358 A N 0.050 122.836 122.820 -0.057 0.000 1.902 358 A HA -0.253 4.618 4.320 0.920 0.000 0.217 358 A C 2.404 179.907 177.584 -0.135 0.000 1.181 358 A CA 1.953 53.950 52.037 -0.066 0.000 0.623 358 A CB -0.440 18.356 19.000 -0.339 0.000 0.818 358 A HN 0.319 nan 8.150 nan 0.000 0.443 359 K N -0.161 119.983 120.400 -0.428 0.000 2.057 359 K HA -0.200 4.671 4.320 0.920 0.000 0.207 359 K C 2.152 178.693 176.600 -0.098 0.000 1.049 359 K CA 1.561 57.627 56.287 -0.367 0.000 0.931 359 K CB -0.160 31.993 32.500 -0.578 0.000 0.714 359 K HN 0.647 nan 8.250 nan 0.000 0.440 360 E N 0.152 120.323 120.200 -0.049 0.000 2.051 360 E HA -0.231 4.671 4.350 0.920 0.000 0.192 360 E C 1.952 178.620 176.600 0.113 0.000 0.991 360 E CA 1.202 57.625 56.400 0.038 0.000 0.799 360 E CB -0.326 29.397 29.700 0.038 0.000 0.748 360 E HN 0.338 nan 8.360 nan 0.000 0.449 361 F N 1.745 121.711 119.950 0.025 0.000 2.069 361 F HA -0.165 4.915 4.527 0.921 0.000 0.298 361 F C 2.212 178.071 175.800 0.098 0.000 1.113 361 F CA 1.633 59.679 58.000 0.078 0.000 1.214 361 F CB -0.416 38.643 39.000 0.099 0.000 0.978 361 F HN -0.007 nan 8.300 nan 0.000 0.474 362 L N -0.077 121.131 121.223 -0.025 0.000 2.131 362 L HA -0.200 4.691 4.340 0.920 0.000 0.210 362 L C 2.087 178.935 176.870 -0.037 0.000 1.092 362 L CA 1.267 56.074 54.840 -0.054 0.000 0.759 362 L CB -0.887 41.248 42.059 0.125 0.000 0.903 362 L HN 0.098 nan 8.230 nan 0.000 0.435 363 D N 0.056 120.461 120.400 0.008 0.000 2.097 363 D HA -0.224 4.967 4.640 0.920 0.000 0.195 363 D C 2.312 178.652 176.300 0.068 0.000 0.989 363 D CA 1.529 55.589 54.000 0.099 0.000 0.827 363 D CB -0.166 40.781 40.800 0.245 0.000 0.966 363 D HN 0.529 nan 8.370 nan 0.000 0.456 364 Q N -0.688 119.089 119.800 -0.038 0.000 2.123 364 Q HA -0.197 4.695 4.340 0.920 0.000 0.199 364 Q C 2.180 178.018 176.000 -0.269 0.000 0.966 364 Q CA 0.925 56.681 55.803 -0.078 0.000 0.845 364 Q CB -0.713 28.011 28.738 -0.023 0.000 0.907 364 Q HN 0.400 nan 8.270 nan 0.000 0.439 365 Y N 0.947 120.823 120.300 -0.707 0.000 2.070 365 Y HA -0.284 4.818 4.550 0.921 0.000 0.280 365 Y C 1.682 177.134 175.900 -0.746 0.000 1.148 365 Y CA 1.678 59.090 58.100 -1.148 0.000 1.125 365 Y CB -0.606 37.048 38.460 -1.344 0.000 0.975 365 Y HN 0.062 nan 8.280 nan 0.000 0.492 366 Y N -0.534 119.350 120.300 -0.693 0.000 2.333 366 Y HA -0.207 4.894 4.550 0.920 0.000 0.290 366 Y C 3.062 178.733 175.900 -0.382 0.000 1.144 366 Y CA 1.721 59.414 58.100 -0.678 0.000 1.228 366 Y CB -0.689 37.212 38.460 -0.931 0.000 0.985 366 Y HN 0.223 nan 8.280 nan 0.000 0.542 367 S N -0.708 114.952 115.700 -0.067 0.000 2.368 367 S HA -0.191 4.831 4.470 0.920 0.000 0.224 367 S C 2.379 176.904 174.600 -0.125 0.000 1.029 367 S CA 1.349 59.558 58.200 0.015 0.000 0.988 367 S CB -0.582 62.635 63.200 0.028 0.000 0.838 367 S HN 0.618 nan 8.310 nan 0.000 0.462 368 S N 2.004 117.561 115.700 -0.238 0.000 2.382 368 S HA -0.077 4.945 4.470 0.920 0.000 0.228 368 S C 1.575 176.046 174.600 -0.215 0.000 1.027 368 S CA 1.159 59.257 58.200 -0.170 0.000 0.991 368 S CB -0.942 62.211 63.200 -0.078 0.000 0.823 368 S HN 0.763 nan 8.310 nan 0.000 0.469 369 I N -1.913 118.414 120.570 -0.405 0.000 3.812 369 I HA 0.414 5.135 4.170 0.920 0.000 0.319 369 I C 0.036 176.039 176.117 -0.190 0.000 1.353 369 I CA -0.604 60.502 61.300 -0.323 0.000 1.170 369 I CB -0.724 36.978 38.000 -0.497 0.000 1.057 369 I HN 0.012 nan 8.210 nan 0.000 0.411 370 K N 1.629 121.955 120.400 -0.123 0.000 3.071 370 K HA -0.196 4.676 4.320 0.920 0.000 0.262 370 K C 0.377 176.979 176.600 0.003 0.000 0.977 370 K CA 0.682 56.946 56.287 -0.038 0.000 0.721 370 K CB -1.345 31.137 32.500 -0.030 0.000 1.293 370 K HN 0.610 nan 8.250 nan 0.000 0.475 371 R N 0.155 120.667 120.500 0.019 0.000 2.662 371 R HA 0.143 5.035 4.340 0.920 0.000 0.396 371 R C -0.186 176.218 176.300 0.173 0.000 1.096 371 R CA -0.455 55.700 56.100 0.092 0.000 1.081 371 R CB 0.291 30.655 30.300 0.107 0.000 1.382 371 R HN 0.133 nan 8.270 nan 0.000 0.580 372 F N 0.897 120.877 119.950 0.050 0.000 2.578 372 F HA 0.105 5.184 4.527 0.919 0.000 0.381 372 F C 1.459 177.374 175.800 0.192 0.000 1.069 372 F CA 1.972 60.056 58.000 0.141 0.000 1.231 372 F CB 0.719 39.752 39.000 0.055 0.000 1.086 372 F HN 0.443 nan 8.300 nan 0.000 0.564 373 G N 2.916 111.622 108.800 -0.157 0.000 2.225 373 G HA2 -0.317 4.195 3.960 0.920 0.000 0.254 373 G HA3 -0.317 4.195 3.960 0.920 0.000 0.254 373 G C 0.435 175.250 174.900 -0.141 0.000 0.988 373 G CA 0.303 45.259 45.100 -0.240 0.000 0.625 373 G HN 1.203 nan 8.290 nan 0.000 0.527 374 S N -0.045 115.640 115.700 -0.025 0.000 2.580 374 S HA 0.386 5.408 4.470 0.920 0.000 0.266 374 S C 1.358 175.913 174.600 -0.075 0.000 1.354 374 S CA 0.845 59.035 58.200 -0.016 0.000 1.008 374 S CB 1.437 64.665 63.200 0.046 0.000 0.898 374 S HN 0.454 nan 8.310 nan 0.000 0.555 375 K N 0.907 121.277 120.400 -0.051 0.000 2.032 375 K HA -0.140 4.731 4.320 0.920 0.000 0.209 375 K C 2.450 179.009 176.600 -0.068 0.000 1.048 375 K CA 1.389 57.637 56.287 -0.065 0.000 0.927 375 K CB -0.901 31.578 32.500 -0.035 0.000 0.712 375 K HN 0.788 nan 8.250 nan 0.000 0.441 376 A N 0.550 123.361 122.820 -0.016 0.000 1.908 376 A HA -0.259 4.613 4.320 0.920 0.000 0.218 376 A C 1.936 179.440 177.584 -0.133 0.000 1.181 376 A CA 1.918 53.968 52.037 0.023 0.000 0.627 376 A CB -0.966 18.120 19.000 0.144 0.000 0.818 376 A HN 0.590 nan 8.150 nan 0.000 0.445 377 H N -1.205 117.556 119.070 -0.516 0.000 2.251 377 H HA -0.181 4.927 4.556 0.920 0.000 0.294 377 H C 2.139 177.076 175.328 -0.651 0.000 1.078 377 H CA 1.790 57.143 56.048 -1.158 0.000 1.246 377 H CB -0.113 29.151 29.762 -0.829 0.000 1.358 377 H HN 0.338 nan 8.280 nan 0.000 0.488 378 M N 0.833 120.209 119.600 -0.374 0.000 2.149 378 M HA -0.162 4.870 4.480 0.920 0.000 0.261 378 M C 1.666 177.858 176.300 -0.180 0.000 1.064 378 M CA 1.226 56.327 55.300 -0.332 0.000 1.102 378 M CB -0.741 31.694 32.600 -0.276 0.000 1.369 378 M HN 0.393 nan 8.290 nan 0.000 0.408 379 D N -0.343 119.979 120.400 -0.131 0.000 2.144 379 D HA -0.142 5.050 4.640 0.920 0.000 0.200 379 D C 2.079 178.357 176.300 -0.037 0.000 0.978 379 D CA 1.098 55.058 54.000 -0.066 0.000 0.833 379 D CB -0.302 40.477 40.800 -0.034 0.000 0.961 379 D HN 0.279 nan 8.370 nan 0.000 0.470 380 R N 0.253 120.728 120.500 -0.043 0.000 2.075 380 R HA -0.068 4.823 4.340 0.920 0.000 0.232 380 R C 2.077 178.392 176.300 0.025 0.000 1.126 380 R CA 0.732 56.848 56.100 0.028 0.000 0.963 380 R CB -0.624 29.740 30.300 0.108 0.000 0.858 380 R HN 0.049 nan 8.270 nan 0.000 0.435 381 L N 0.957 122.170 121.223 -0.017 0.000 2.079 381 L HA -0.119 4.772 4.340 0.920 0.000 0.210 381 L C 2.176 179.093 176.870 0.078 0.000 1.081 381 L CA 2.048 56.913 54.840 0.042 0.000 0.752 381 L CB -0.614 41.425 42.059 -0.033 0.000 0.896 381 L HN 0.307 nan 8.230 nan 0.000 0.433 382 E N -0.446 119.752 120.200 -0.003 0.000 2.047 382 E HA -0.261 4.641 4.350 0.920 0.000 0.191 382 E C 2.173 178.754 176.600 -0.031 0.000 0.987 382 E CA 1.536 57.916 56.400 -0.033 0.000 0.799 382 E CB -0.183 29.487 29.700 -0.050 0.000 0.752 382 E HN 0.526 nan 8.360 nan 0.000 0.449 383 E N -0.427 119.770 120.200 -0.005 0.000 2.058 383 E HA -0.202 4.700 4.350 0.920 0.000 0.194 383 E C 2.021 178.628 176.600 0.013 0.000 0.997 383 E CA 1.685 58.090 56.400 0.009 0.000 0.801 383 E CB -0.030 29.692 29.700 0.036 0.000 0.746 383 E HN 0.202 nan 8.360 nan 0.000 0.450 384 V N 1.442 121.370 119.914 0.022 0.000 2.358 384 V HA -0.243 4.429 4.120 0.920 0.000 0.246 384 V C 2.302 178.371 176.094 -0.042 0.000 1.047 384 V CA 1.971 64.258 62.300 -0.022 0.000 1.035 384 V CB -0.819 30.934 31.823 -0.116 0.000 0.658 384 V HN 0.362 nan 8.190 nan 0.000 0.452 385 N N 0.382 119.059 118.700 -0.040 0.000 2.104 385 N HA -0.212 5.080 4.740 0.920 0.000 0.190 385 N C 1.798 177.156 175.510 -0.253 0.000 1.024 385 N CA 1.711 54.553 53.050 -0.347 0.000 0.853 385 N CB -0.188 37.977 38.487 -0.537 0.000 1.008 385 N HN 0.400 nan 8.380 nan 0.000 0.424 386 K N -0.065 120.251 120.400 -0.140 0.000 2.217 386 K HA -0.054 4.818 4.320 0.920 0.000 0.202 386 K C 1.790 178.360 176.600 -0.050 0.000 1.051 386 K CA 0.794 57.023 56.287 -0.095 0.000 0.952 386 K CB 0.009 32.470 32.500 -0.065 0.000 0.736 386 K HN 0.308 nan 8.250 nan 0.000 0.453 387 E N 0.761 120.951 120.200 -0.017 0.000 2.107 387 E HA -0.139 4.762 4.350 0.920 0.000 0.191 387 E C 1.726 178.350 176.600 0.040 0.000 0.982 387 E CA 0.861 57.281 56.400 0.033 0.000 0.809 387 E CB 0.085 29.840 29.700 0.092 0.000 0.756 387 E HN 0.226 nan 8.360 nan 0.000 0.459 388 I N 1.057 121.639 120.570 0.020 0.000 2.252 388 I HA -0.216 4.506 4.170 0.920 0.000 0.245 388 I C 2.462 178.577 176.117 -0.004 0.000 1.102 388 I CA 0.866 62.188 61.300 0.037 0.000 1.385 388 I CB -0.211 37.812 38.000 0.038 0.000 1.064 388 I HN 0.138 nan 8.210 nan 0.000 0.414 389 E N 0.744 120.912 120.200 -0.053 0.000 2.051 389 E HA -0.200 4.702 4.350 0.920 0.000 0.192 389 E C 2.373 178.955 176.600 -0.030 0.000 0.991 389 E CA 2.030 58.396 56.400 -0.058 0.000 0.799 389 E CB -0.154 29.490 29.700 -0.092 0.000 0.748 389 E HN 0.528 nan 8.360 nan 0.000 0.449 390 S N -0.534 115.153 115.700 -0.021 0.000 2.458 390 S HA -0.042 4.980 4.470 0.920 0.000 0.223 390 S C 2.015 176.615 174.600 0.001 0.000 1.019 390 S CA 1.256 59.449 58.200 -0.011 0.000 0.937 390 S CB -0.040 63.154 63.200 -0.011 0.000 0.788 390 S HN 0.266 nan 8.310 nan 0.000 0.511 391 T N -1.463 113.098 114.554 0.012 0.000 3.001 391 T HA 0.254 5.156 4.350 0.920 0.000 0.251 391 T C 1.255 175.968 174.700 0.021 0.000 1.040 391 T CA 1.065 63.176 62.100 0.019 0.000 0.985 391 T CB -0.201 68.686 68.868 0.032 0.000 1.011 391 T HN 1.265 nan 8.240 nan 0.000 0.509 392 S N -1.027 114.689 115.700 0.026 0.000 2.769 392 S HA -0.202 4.820 4.470 0.920 0.000 0.264 392 S C 0.306 174.941 174.600 0.059 0.000 1.288 392 S CA 1.607 59.827 58.200 0.032 0.000 1.378 392 S CB -2.532 60.676 63.200 0.013 0.000 1.702 392 S HN 0.996 nan 8.310 nan 0.000 0.656 393 T N 0.004 114.606 114.554 0.079 0.000 2.681 393 T HA 0.720 5.622 4.350 0.920 0.000 0.296 393 T C -1.559 173.273 174.700 0.220 0.000 1.157 393 T CA -0.125 62.046 62.100 0.119 0.000 1.025 393 T CB 1.517 70.390 68.868 0.008 0.000 1.441 393 T HN 1.222 nan 8.240 nan 0.000 0.504 394 Y N -0.559 119.742 120.300 0.000 0.000 2.655 394 Y HA 0.821 5.924 4.550 0.922 0.000 0.336 394 Y C -1.375 174.532 175.900 0.013 0.000 1.154 394 Y CA -1.245 56.867 58.100 0.020 0.000 1.055 394 Y CB 1.128 39.620 38.460 0.053 0.000 1.295 394 Y HN 0.278 nan 8.280 nan 0.000 0.465 395 Q N 2.369 122.186 119.800 0.028 0.000 2.316 395 Q HA 0.462 5.354 4.340 0.920 0.000 0.264 395 Q C -0.915 175.093 176.000 0.012 0.000 0.987 395 Q CA -0.768 55.004 55.803 -0.052 0.000 0.852 395 Q CB 2.801 31.552 28.738 0.022 0.000 1.287 395 Q HN 0.801 nan 8.270 nan 0.000 0.448 396 L N 2.133 123.326 121.223 -0.051 0.000 2.417 396 L HA 0.198 5.090 4.340 0.920 0.000 0.268 396 L C 0.813 177.709 176.870 0.043 0.000 1.158 396 L CA -0.408 54.452 54.840 0.033 0.000 0.819 396 L CB 0.351 42.409 42.059 -0.003 0.000 1.112 396 L HN 0.208 nan 8.230 nan 0.000 0.458 397 K N 1.638 122.069 120.400 0.051 0.000 2.258 397 K HA 0.019 4.890 4.320 0.920 0.000 0.264 397 K C 0.475 177.067 176.600 -0.014 0.000 1.007 397 K CA -0.271 56.028 56.287 0.019 0.000 0.941 397 K CB 0.636 33.145 32.500 0.014 0.000 0.966 397 K HN 0.455 nan 8.250 nan 0.000 0.480 398 D N 0.807 121.201 120.400 -0.010 0.000 2.116 398 D HA -0.177 5.015 4.640 0.920 0.000 0.193 398 D C 1.712 178.004 176.300 -0.015 0.000 0.998 398 D CA 2.289 56.278 54.000 -0.019 0.000 0.836 398 D CB -0.327 40.468 40.800 -0.009 0.000 0.951 398 D HN 0.748 nan 8.370 nan 0.000 0.449 399 T N -1.079 113.469 114.554 -0.010 0.000 2.746 399 T HA -0.153 4.748 4.350 0.920 0.000 0.267 399 T C 1.800 176.473 174.700 -0.044 0.000 1.039 399 T CA 1.259 63.370 62.100 0.018 0.000 1.142 399 T CB -0.406 68.497 68.868 0.060 0.000 0.866 399 T HN 0.232 nan 8.240 nan 0.000 0.444 400 E N 0.761 120.834 120.200 -0.211 0.000 2.106 400 E HA 0.026 4.928 4.350 0.920 0.000 0.192 400 E C 2.111 178.774 176.600 0.105 0.000 0.984 400 E CA 0.889 57.154 56.400 -0.225 0.000 0.806 400 E CB -0.272 29.341 29.700 -0.144 0.000 0.750 400 E HN 0.362 nan 8.360 nan 0.000 0.458 401 L N 0.925 122.154 121.223 0.010 0.000 2.056 401 L HA -0.146 4.745 4.340 0.920 0.000 0.207 401 L C 2.074 178.940 176.870 -0.006 0.000 1.078 401 L CA 1.387 56.195 54.840 -0.052 0.000 0.749 401 L CB -0.096 41.886 42.059 -0.128 0.000 0.901 401 L HN 0.091 nan 8.230 nan 0.000 0.433 402 I N -1.609 118.984 120.570 0.038 0.000 2.142 402 I HA -0.351 4.371 4.170 0.920 0.000 0.240 402 I C 2.370 178.599 176.117 0.186 0.000 1.078 402 I CA 1.795 63.134 61.300 0.065 0.000 1.343 402 I CB -0.522 37.511 38.000 0.055 0.000 1.046 402 I HN 0.336 nan 8.210 nan 0.000 0.405 403 Y N 1.680 122.077 120.300 0.163 0.000 2.114 403 Y HA -0.277 4.825 4.550 0.919 0.000 0.282 403 Y C 2.377 178.493 175.900 0.360 0.000 1.165 403 Y CA 1.854 60.139 58.100 0.309 0.000 1.148 403 Y CB -0.767 37.879 38.460 0.309 0.000 0.972 403 Y HN 0.115 nan 8.280 nan 0.000 0.504 404 G N -0.434 108.588 108.800 0.371 0.000 2.418 404 G HA2 -0.235 4.277 3.960 0.920 0.000 0.217 404 G HA3 -0.235 4.277 3.960 0.920 0.000 0.217 404 G C 1.786 176.687 174.900 0.001 0.000 1.158 404 G CA 0.967 46.185 45.100 0.197 0.000 0.771 404 G HN 0.622 nan 8.290 nan 0.000 0.545 405 A N 0.951 123.759 122.820 -0.020 0.000 1.855 405 A HA 0.017 4.889 4.320 0.920 0.000 0.215 405 A C 2.292 179.923 177.584 0.078 0.000 1.191 405 A CA 1.919 53.927 52.037 -0.048 0.000 0.613 405 A CB -0.400 18.571 19.000 -0.048 0.000 0.829 405 A HN 0.343 nan 8.150 nan 0.000 0.442 406 K N -1.278 119.215 120.400 0.154 0.000 2.113 406 K HA -0.215 4.657 4.320 0.920 0.000 0.208 406 K C 1.908 178.601 176.600 0.155 0.000 1.047 406 K CA 1.911 58.365 56.287 0.280 0.000 0.928 406 K CB -0.331 32.354 32.500 0.308 0.000 0.716 406 K HN 0.672 nan 8.250 nan 0.000 0.446 407 H N -0.312 118.711 119.070 -0.079 0.000 2.470 407 H HA 0.063 5.170 4.556 0.919 0.000 0.289 407 H C 1.897 177.101 175.328 -0.206 0.000 1.033 407 H CA 1.070 56.949 56.048 -0.282 0.000 1.331 407 H CB 0.050 29.540 29.762 -0.454 0.000 1.414 407 H HN 0.250 nan 8.280 nan 0.000 0.545 408 A N 0.346 123.097 122.820 -0.116 0.000 1.933 408 A HA -0.197 4.675 4.320 0.920 0.000 0.218 408 A C 2.008 179.585 177.584 -0.011 0.000 1.175 408 A CA 1.408 53.258 52.037 -0.310 0.000 0.628 408 A CB -0.871 17.559 19.000 -0.950 0.000 0.814 408 A HN 0.596 nan 8.150 nan 0.000 0.444 409 W N 0.860 122.152 121.300 -0.014 0.000 2.378 409 W HA -0.118 5.096 4.660 0.923 0.000 0.313 409 W C 2.327 178.817 176.519 -0.049 0.000 1.197 409 W CA 1.473 58.874 57.345 0.094 0.000 1.304 409 W CB -0.849 28.661 29.460 0.084 0.000 1.148 409 W HN 0.355 nan 8.180 nan 0.000 0.494 410 R N 0.264 120.644 120.500 -0.200 0.000 2.174 410 R HA -0.235 4.657 4.340 0.920 0.000 0.253 410 R C 1.459 177.559 176.300 -0.334 0.000 1.165 410 R CA 2.007 57.734 56.100 -0.621 0.000 0.984 410 R CB -0.514 28.994 30.300 -1.321 0.000 0.873 410 R HN 0.131 nan 8.270 nan 0.000 0.456 411 N N -0.243 118.353 118.700 -0.174 0.000 2.336 411 N HA 0.054 5.345 4.740 0.920 0.000 0.189 411 N C -0.543 174.946 175.510 -0.036 0.000 1.113 411 N CA 0.597 53.580 53.050 -0.111 0.000 0.858 411 N CB 0.742 39.176 38.487 -0.087 0.000 0.970 411 N HN 0.159 nan 8.380 nan 0.000 0.471 412 A N 1.080 123.938 122.820 0.062 0.000 2.655 412 A HA 0.160 5.032 4.320 0.920 0.000 0.297 412 A C 1.452 179.058 177.584 0.036 0.000 1.461 412 A CA -0.150 51.947 52.037 0.101 0.000 1.146 412 A CB -0.267 18.872 19.000 0.231 0.000 1.108 412 A HN 0.259 nan 8.150 nan 0.000 0.550 413 S N 2.658 118.334 115.700 -0.041 0.000 2.442 413 S HA -0.157 4.864 4.470 0.920 0.000 0.236 413 S C 1.530 176.090 174.600 -0.067 0.000 1.007 413 S CA 1.120 59.282 58.200 -0.063 0.000 0.965 413 S CB -0.225 62.896 63.200 -0.130 0.000 0.773 413 S HN 0.748 nan 8.310 nan 0.000 0.504 414 R N -0.410 120.021 120.500 -0.115 0.000 2.299 414 R HA 0.246 5.138 4.340 0.920 0.000 0.197 414 R C 0.304 176.607 176.300 0.006 0.000 0.971 414 R CA 0.156 56.185 56.100 -0.119 0.000 1.030 414 R CB -0.222 29.835 30.300 -0.406 0.000 0.932 414 R HN 0.430 nan 8.270 nan 0.000 0.477 415 C N 0.422 119.736 119.300 0.023 0.000 2.265 415 C HA 0.215 5.227 4.460 0.920 0.000 0.332 415 C C 1.892 176.879 174.990 -0.006 0.000 1.248 415 C CA -0.727 58.336 59.018 0.075 0.000 1.727 415 C CB 0.502 28.371 27.740 0.216 0.000 2.348 415 C HN 0.273 nan 8.230 nan 0.000 0.519 416 V N 5.987 125.846 119.914 -0.091 0.000 3.217 416 V HA 0.157 4.829 4.120 0.920 0.000 0.264 416 V C 1.827 177.984 176.094 0.106 0.000 1.135 416 V CA 2.289 64.452 62.300 -0.227 0.000 1.142 416 V CB -0.158 31.550 31.823 -0.191 0.000 0.754 416 V HN 1.074 nan 8.190 nan 0.000 0.484 417 G N -0.891 107.989 108.800 0.133 0.000 3.284 417 G HA2 0.037 4.548 3.960 0.920 0.000 0.236 417 G HA3 0.037 4.548 3.960 0.920 0.000 0.236 417 G C 1.327 176.272 174.900 0.075 0.000 1.158 417 G CA -0.289 44.888 45.100 0.128 0.000 0.774 417 G HN 0.427 nan 8.290 nan 0.000 0.545 418 R N -0.172 120.322 120.500 -0.010 0.000 2.285 418 R HA 0.124 5.016 4.340 0.920 0.000 0.213 418 R C 2.098 177.908 176.300 -0.817 0.000 1.068 418 R CA 0.169 56.003 56.100 -0.443 0.000 1.004 418 R CB -0.210 29.945 30.300 -0.242 0.000 0.873 418 R HN 0.436 nan 8.270 nan 0.000 0.467 419 I N 1.133 121.268 120.570 -0.725 0.000 2.502 419 I HA -0.307 4.415 4.170 0.920 0.000 0.258 419 I C 1.404 177.314 176.117 -0.344 0.000 1.172 419 I CA 1.396 62.376 61.300 -0.533 0.000 1.430 419 I CB 0.147 38.075 38.000 -0.120 0.000 1.086 419 I HN 0.194 nan 8.210 nan 0.000 0.440 420 Q N 0.371 119.933 119.800 -0.397 0.000 2.403 420 Q HA -0.112 4.780 4.340 0.920 0.000 0.203 420 Q C 1.644 177.199 176.000 -0.742 0.000 0.932 420 Q CA 0.631 56.216 55.803 -0.364 0.000 0.945 420 Q CB -0.263 28.427 28.738 -0.080 0.000 1.045 420 Q HN 0.816 nan 8.270 nan 0.000 0.511 421 W N 0.980 121.610 121.300 -1.117 0.000 2.341 421 W HA -0.181 5.031 4.660 0.918 0.000 0.283 421 W C 1.178 177.340 176.519 -0.595 0.000 1.215 421 W CA 1.498 57.971 57.345 -1.455 0.000 1.211 421 W CB -1.129 27.642 29.460 -1.149 0.000 1.131 421 W HN 0.169 nan 8.180 nan 0.000 0.552 422 S N 0.742 115.586 115.700 -1.427 0.000 2.528 422 S HA 0.046 5.068 4.470 0.920 0.000 0.219 422 S C 0.875 175.188 174.600 -0.479 0.000 0.985 422 S CA 0.039 57.519 58.200 -1.200 0.000 0.914 422 S CB -0.326 61.929 63.200 -1.574 0.000 0.776 422 S HN 0.068 nan 8.310 nan 0.000 0.526 423 K N 1.978 122.198 120.400 -0.301 0.000 2.535 423 K HA 0.402 5.273 4.320 0.920 0.000 0.242 423 K C -1.057 175.600 176.600 0.094 0.000 1.210 423 K CA -0.268 55.974 56.287 -0.075 0.000 1.178 423 K CB 0.182 32.673 32.500 -0.016 0.000 1.778 423 K HN 0.290 nan 8.250 nan 0.000 0.372 424 L N 1.649 122.923 121.223 0.085 0.000 2.325 424 L HA 0.266 5.157 4.340 0.920 0.000 0.281 424 L C -0.522 176.339 176.870 -0.015 0.000 1.004 424 L CA -0.553 54.376 54.840 0.149 0.000 0.823 424 L CB 1.722 43.940 42.059 0.264 0.000 1.236 424 L HN 0.227 nan 8.230 nan 0.000 0.415 425 Q N 3.169 122.921 119.800 -0.081 0.000 2.288 425 Q HA 0.492 5.384 4.340 0.920 0.000 0.258 425 Q C -1.472 174.215 176.000 -0.520 0.000 0.957 425 Q CA 0.069 55.672 55.803 -0.333 0.000 0.919 425 Q CB 1.170 29.665 28.738 -0.405 0.000 1.185 425 Q HN 0.532 nan 8.270 nan 0.000 0.408 426 V N 5.855 125.434 119.914 -0.559 0.000 2.417 426 V HA 0.476 5.148 4.120 0.920 0.000 0.291 426 V C -0.938 174.788 176.094 -0.612 0.000 1.024 426 V CA -0.607 61.419 62.300 -0.458 0.000 0.861 426 V CB 0.976 32.664 31.823 -0.225 0.000 0.985 426 V HN 0.644 nan 8.190 nan 0.000 0.436 427 F N 2.454 122.298 119.950 -0.177 0.000 2.402 427 F HA 0.394 5.477 4.527 0.927 0.000 0.355 427 F C 0.346 176.005 175.800 -0.235 0.000 1.123 427 F CA -1.120 56.774 58.000 -0.177 0.000 1.021 427 F CB 1.249 40.160 39.000 -0.148 0.000 1.160 427 F HN 0.412 nan 8.300 nan 0.000 0.451 428 D N 3.245 123.638 120.400 -0.013 0.000 2.402 428 D HA 0.327 5.519 4.640 0.920 0.000 0.235 428 D C 0.292 176.462 176.300 -0.217 0.000 1.226 428 D CA 0.154 54.073 54.000 -0.136 0.000 0.918 428 D CB 1.048 41.803 40.800 -0.075 0.000 1.043 428 D HN 0.613 nan 8.370 nan 0.000 0.506 429 A N 4.511 127.024 122.820 -0.513 0.000 2.577 429 A HA 0.141 5.013 4.320 0.920 0.000 0.280 429 A C 1.665 178.971 177.584 -0.463 0.000 1.331 429 A CA -0.368 51.137 52.037 -0.887 0.000 0.935 429 A CB -0.058 17.913 19.000 -1.715 0.000 1.082 429 A HN 0.525 nan 8.150 nan 0.000 0.525 430 R N 0.540 120.886 120.500 -0.256 0.000 2.285 430 R HA -0.093 4.798 4.340 0.920 0.000 0.213 430 R C 0.791 177.046 176.300 -0.076 0.000 1.068 430 R CA 1.197 57.210 56.100 -0.145 0.000 1.004 430 R CB -0.020 30.240 30.300 -0.068 0.000 0.873 430 R HN 0.668 nan 8.270 nan 0.000 0.467 431 D N -0.515 119.872 120.400 -0.023 0.000 2.349 431 D HA -0.066 5.125 4.640 0.920 0.000 0.224 431 D C 0.253 176.633 176.300 0.134 0.000 1.029 431 D CA -0.174 53.866 54.000 0.067 0.000 0.879 431 D CB -0.480 40.384 40.800 0.106 0.000 0.906 431 D HN 0.005 nan 8.370 nan 0.000 0.528 432 C N 1.240 120.611 119.300 0.119 0.000 2.644 432 C HA 0.437 5.449 4.460 0.920 0.000 0.417 432 C C 1.909 177.090 174.990 0.317 0.000 1.304 432 C CA 0.686 59.867 59.018 0.273 0.000 2.035 432 C CB 0.091 28.031 27.740 0.332 0.000 2.673 432 C HN 0.579 nan 8.230 nan 0.000 0.602 433 T N 0.408 115.179 114.554 0.361 0.000 2.989 433 T HA 0.230 5.132 4.350 0.920 0.000 0.250 433 T C 0.496 175.378 174.700 0.303 0.000 0.981 433 T CA 0.656 62.977 62.100 0.369 0.000 0.980 433 T CB -0.178 68.830 68.868 0.233 0.000 1.133 433 T HN 0.798 nan 8.240 nan 0.000 0.489 434 T N -1.145 113.567 114.554 0.263 0.000 2.927 434 T HA 0.825 5.727 4.350 0.920 0.000 0.286 434 T C 1.450 176.250 174.700 0.167 0.000 1.040 434 T CA -0.278 61.938 62.100 0.195 0.000 1.010 434 T CB 1.520 70.533 68.868 0.242 0.000 1.177 434 T HN 0.137 nan 8.240 nan 0.000 0.546 435 A N -0.339 122.554 122.820 0.122 0.000 2.014 435 A HA 0.028 4.900 4.320 0.920 0.000 0.218 435 A C 1.946 179.464 177.584 -0.111 0.000 1.163 435 A CA 1.326 53.368 52.037 0.009 0.000 0.652 435 A CB -1.295 17.742 19.000 0.061 0.000 0.808 435 A HN 0.986 nan 8.150 nan 0.000 0.449 436 H N -0.451 118.670 119.070 0.086 0.000 2.353 436 H HA -0.001 5.148 4.556 0.989 0.000 0.300 436 H C 2.391 177.727 175.328 0.013 0.000 1.090 436 H CA 1.461 57.524 56.048 0.026 0.000 1.327 436 H CB -0.428 29.432 29.762 0.163 0.000 1.383 436 H HN 0.466 nan 8.280 nan 0.000 0.508 437 G N 0.601 109.534 108.800 0.222 0.000 2.529 437 G HA2 -0.328 4.184 3.960 0.920 0.000 0.219 437 G HA3 -0.328 4.184 3.960 0.920 0.000 0.219 437 G C 1.614 176.708 174.900 0.323 0.000 1.177 437 G CA 1.459 46.714 45.100 0.258 0.000 0.773 437 G HN 0.308 nan 8.290 nan 0.000 0.573 438 M N -0.600 119.106 119.600 0.177 0.000 2.159 438 M HA 0.064 5.096 4.480 0.920 0.000 0.263 438 M C 2.347 178.697 176.300 0.085 0.000 1.063 438 M CA 1.225 56.559 55.300 0.057 0.000 1.110 438 M CB -0.405 31.950 32.600 -0.408 0.000 1.374 438 M HN 0.309 nan 8.290 nan 0.000 0.411 439 F N 1.253 120.997 119.950 -0.342 0.000 2.146 439 F HA -0.253 4.867 4.527 0.988 0.000 0.298 439 F C 2.191 177.892 175.800 -0.164 0.000 1.096 439 F CA 1.551 59.289 58.000 -0.437 0.000 1.275 439 F CB -0.159 38.211 39.000 -1.049 0.000 1.008 439 F HN 0.156 nan 8.300 nan 0.000 0.480 440 N N -0.044 118.476 118.700 -0.299 0.000 2.069 440 N HA -0.276 5.016 4.740 0.920 0.000 0.191 440 N C 1.729 177.084 175.510 -0.260 0.000 1.031 440 N CA 2.130 54.968 53.050 -0.353 0.000 0.852 440 N CB -0.800 37.541 38.487 -0.244 0.000 1.018 440 N HN 0.461 nan 8.380 nan 0.000 0.423 441 Y N 0.116 120.375 120.300 -0.068 0.000 2.274 441 Y HA -0.023 5.075 4.550 0.912 0.000 0.290 441 Y C 2.142 178.024 175.900 -0.031 0.000 1.145 441 Y CA 0.888 58.970 58.100 -0.031 0.000 1.203 441 Y CB -0.023 38.525 38.460 0.146 0.000 0.984 441 Y HN 0.134 nan 8.280 nan 0.000 0.533 442 I N -1.731 118.943 120.570 0.172 0.000 2.406 442 I HA -0.291 4.431 4.170 0.920 0.000 0.249 442 I C 2.114 178.221 176.117 -0.017 0.000 1.122 442 I CA 0.555 61.917 61.300 0.104 0.000 1.431 442 I CB -0.340 37.733 38.000 0.121 0.000 1.087 442 I HN 0.282 nan 8.210 nan 0.000 0.424 443 C N 0.888 120.068 119.300 -0.200 0.000 2.429 443 C HA -0.126 4.886 4.460 0.920 0.000 0.277 443 C C 2.531 177.453 174.990 -0.114 0.000 1.262 443 C CA 0.757 59.646 59.018 -0.215 0.000 1.733 443 C CB -1.409 26.076 27.740 -0.426 0.000 2.010 443 C HN 0.552 nan 8.230 nan 0.000 0.483 444 N N -0.113 118.496 118.700 -0.151 0.000 2.309 444 N HA -0.115 5.177 4.740 0.920 0.000 0.182 444 N C 1.411 176.852 175.510 -0.115 0.000 1.018 444 N CA 1.174 54.125 53.050 -0.166 0.000 0.876 444 N CB -0.752 37.563 38.487 -0.287 0.000 0.972 444 N HN 0.763 nan 8.380 nan 0.000 0.434 445 H N 0.333 119.302 119.070 -0.168 0.000 2.299 445 H HA 0.016 5.124 4.556 0.920 0.000 0.302 445 H C 1.849 177.235 175.328 0.097 0.000 1.078 445 H CA 1.451 57.481 56.048 -0.031 0.000 1.323 445 H CB 0.106 29.887 29.762 0.031 0.000 1.381 445 H HN -0.125 nan 8.280 nan 0.000 0.498 446 V N 1.082 121.174 119.914 0.298 0.000 2.287 446 V HA -0.287 4.385 4.120 0.920 0.000 0.248 446 V C 2.502 178.686 176.094 0.150 0.000 1.053 446 V CA 2.332 64.756 62.300 0.206 0.000 1.027 446 V CB -0.586 31.287 31.823 0.083 0.000 0.646 446 V HN 0.448 nan 8.190 nan 0.000 0.447 447 K N -0.683 119.775 120.400 0.096 0.000 2.002 447 K HA -0.261 4.611 4.320 0.920 0.000 0.209 447 K C 2.294 178.950 176.600 0.093 0.000 1.048 447 K CA 2.153 58.480 56.287 0.066 0.000 0.930 447 K CB -0.487 32.030 32.500 0.027 0.000 0.714 447 K HN 0.506 nan 8.250 nan 0.000 0.438 448 Y N 0.621 120.932 120.300 0.018 0.000 2.181 448 Y HA -0.206 4.895 4.550 0.918 0.000 0.288 448 Y C 1.939 177.887 175.900 0.080 0.000 1.146 448 Y CA 1.802 59.934 58.100 0.054 0.000 1.164 448 Y CB -0.315 38.203 38.460 0.096 0.000 0.982 448 Y HN 0.210 nan 8.280 nan 0.000 0.515 449 A N -0.788 122.143 122.820 0.186 0.000 1.897 449 A HA -0.096 4.776 4.320 0.920 0.000 0.215 449 A C 2.193 179.812 177.584 0.058 0.000 1.181 449 A CA 1.886 54.001 52.037 0.129 0.000 0.620 449 A CB -1.245 17.910 19.000 0.258 0.000 0.821 449 A HN 0.485 nan 8.150 nan 0.000 0.443 450 T N 0.118 114.717 114.554 0.074 0.000 2.652 450 T HA -0.172 4.730 4.350 0.920 0.000 0.267 450 T C 1.108 175.802 174.700 -0.011 0.000 1.039 450 T CA 1.579 63.711 62.100 0.053 0.000 1.153 450 T CB -0.485 68.418 68.868 0.057 0.000 0.863 450 T HN 0.657 nan 8.240 nan 0.000 0.428 451 N N 1.022 119.690 118.700 -0.054 0.000 2.714 451 N HA -0.226 5.066 4.740 0.920 0.000 0.252 451 N C -0.269 175.206 175.510 -0.059 0.000 1.014 451 N CA 0.857 53.850 53.050 -0.094 0.000 0.735 451 N CB -1.568 36.812 38.487 -0.178 0.000 0.924 451 N HN 0.608 nan 8.380 nan 0.000 0.540 452 K N -2.241 118.138 120.400 -0.035 0.000 3.088 452 K HA -0.218 4.654 4.320 0.920 0.000 0.273 452 K C 1.096 177.673 176.600 -0.037 0.000 1.111 452 K CA 1.224 57.493 56.287 -0.031 0.000 0.803 452 K CB -1.627 30.853 32.500 -0.034 0.000 1.226 452 K HN 0.979 nan 8.250 nan 0.000 0.485 453 G N 0.268 109.049 108.800 -0.031 0.000 2.278 453 G HA2 -0.316 4.196 3.960 0.920 0.000 0.210 453 G HA3 -0.316 4.196 3.960 0.920 0.000 0.210 453 G C -0.127 174.747 174.900 -0.043 0.000 1.000 453 G CA 0.041 45.120 45.100 -0.035 0.000 0.635 453 G HN 0.431 nan 8.290 nan 0.000 0.495 454 N N 1.625 120.288 118.700 -0.062 0.000 2.968 454 N HA 0.434 5.726 4.740 0.920 0.000 0.271 454 N C 0.593 176.051 175.510 -0.085 0.000 1.174 454 N CA -0.454 52.540 53.050 -0.093 0.000 1.096 454 N CB -0.155 38.277 38.487 -0.091 0.000 1.403 454 N HN 0.307 nan 8.380 nan 0.000 0.522 455 L N 2.063 123.250 121.223 -0.060 0.000 2.461 455 L HA 0.232 5.124 4.340 0.920 0.000 0.272 455 L C 0.655 177.609 176.870 0.139 0.000 1.197 455 L CA 0.304 55.185 54.840 0.068 0.000 0.836 455 L CB 0.511 42.702 42.059 0.220 0.000 1.105 455 L HN 0.384 nan 8.230 nan 0.000 0.477 456 R N 1.166 121.766 120.500 0.166 0.000 2.575 456 R HA 0.282 5.174 4.340 0.920 0.000 0.293 456 R C -0.505 175.952 176.300 0.260 0.000 0.983 456 R CA -0.497 55.721 56.100 0.196 0.000 0.887 456 R CB 2.309 32.577 30.300 -0.054 0.000 1.184 456 R HN 0.783 nan 8.270 nan 0.000 0.445 457 S N 1.772 117.642 115.700 0.284 0.000 2.580 457 S HA 0.723 5.745 4.470 0.920 0.000 0.274 457 S C -0.157 174.508 174.600 0.108 0.000 1.329 457 S CA -0.306 57.971 58.200 0.128 0.000 1.036 457 S CB 1.559 64.782 63.200 0.038 0.000 0.919 457 S HN 0.725 nan 8.310 nan 0.000 0.515 458 A N 2.481 125.317 122.820 0.027 0.000 2.608 458 A HA 0.771 5.643 4.320 0.920 0.000 0.292 458 A C -1.292 176.328 177.584 0.061 0.000 1.066 458 A CA -0.789 51.217 52.037 -0.053 0.000 0.676 458 A CB 0.979 19.898 19.000 -0.135 0.000 1.277 458 A HN 1.298 nan 8.150 nan 0.000 0.413 459 I N 0.241 120.844 120.570 0.055 0.000 2.722 459 I HA 0.675 5.397 4.170 0.920 0.000 0.295 459 I C -1.129 175.119 176.117 0.220 0.000 1.161 459 I CA -0.109 61.342 61.300 0.251 0.000 1.032 459 I CB 2.441 40.528 38.000 0.144 0.000 1.244 459 I HN 0.628 nan 8.210 nan 0.000 0.421 460 T N 7.637 122.334 114.554 0.238 0.000 2.824 460 T HA 0.597 5.499 4.350 0.920 0.000 0.282 460 T C -0.520 173.977 174.700 -0.337 0.000 0.993 460 T CA -0.265 61.822 62.100 -0.022 0.000 0.967 460 T CB 1.093 69.985 68.868 0.040 0.000 0.960 460 T HN 0.302 nan 8.240 nan 0.000 0.441 461 I N 4.081 124.345 120.570 -0.509 0.000 2.420 461 I HA 0.395 5.116 4.170 0.920 0.000 0.282 461 I C -0.584 175.182 176.117 -0.584 0.000 1.019 461 I CA -0.696 60.324 61.300 -0.467 0.000 1.130 461 I CB 0.751 38.465 38.000 -0.477 0.000 1.262 461 I HN 0.464 nan 8.210 nan 0.000 0.454 462 F N 6.412 126.273 119.950 -0.150 0.000 2.375 462 F HA 0.402 5.487 4.527 0.930 0.000 0.313 462 F C -1.806 173.839 175.800 -0.259 0.000 1.176 462 F CA -2.232 55.606 58.000 -0.270 0.000 1.142 462 F CB -0.280 38.608 39.000 -0.187 0.000 1.275 462 F HN 0.211 nan 8.300 nan 0.000 0.544 463 P HA -0.026 nan 4.420 nan 0.000 0.266 463 P C -0.938 176.304 177.300 -0.096 0.000 1.193 463 P CA -0.116 62.791 63.100 -0.321 0.000 0.770 463 P CB 0.231 31.536 31.700 -0.658 0.000 0.836 464 Q N 2.707 122.452 119.800 -0.091 0.000 2.417 464 Q HA 0.155 5.047 4.340 0.920 0.000 0.241 464 Q C 0.113 176.022 176.000 -0.152 0.000 1.008 464 Q CA -0.578 55.011 55.803 -0.357 0.000 0.901 464 Q CB 0.675 28.922 28.738 -0.819 0.000 1.259 464 Q HN 0.306 nan 8.270 nan 0.000 0.489 465 R N 0.525 120.932 120.500 -0.154 0.000 2.583 465 R HA -0.042 4.850 4.340 0.920 0.000 0.274 465 R C 0.416 176.676 176.300 -0.065 0.000 0.998 465 R CA 1.209 57.282 56.100 -0.045 0.000 1.081 465 R CB 0.467 30.734 30.300 -0.055 0.000 0.940 465 R HN 0.979 nan 8.270 nan 0.000 0.413 466 T N -0.722 113.829 114.554 -0.004 0.000 3.571 466 T HA 0.016 4.918 4.350 0.920 0.000 0.217 466 T C 0.709 175.390 174.700 -0.032 0.000 0.925 466 T CA 0.313 62.392 62.100 -0.034 0.000 1.376 466 T CB -0.096 68.743 68.868 -0.048 0.000 1.375 466 T HN 0.713 nan 8.240 nan 0.000 0.404 467 D N 0.412 120.798 120.400 -0.023 0.000 2.501 467 D HA 0.362 5.554 4.640 0.920 0.000 0.224 467 D C 1.479 177.805 176.300 0.043 0.000 1.202 467 D CA 0.261 54.257 54.000 -0.005 0.000 0.829 467 D CB -0.217 40.563 40.800 -0.033 0.000 1.023 467 D HN 0.869 nan 8.370 nan 0.000 0.499 468 G N 0.967 109.804 108.800 0.062 0.000 2.212 468 G HA2 -0.375 4.137 3.960 0.920 0.000 0.266 468 G HA3 -0.375 4.137 3.960 0.920 0.000 0.266 468 G C 0.904 175.861 174.900 0.095 0.000 0.978 468 G CA 0.454 45.593 45.100 0.065 0.000 0.632 468 G HN 0.443 nan 8.290 nan 0.000 0.537 469 K N -0.275 120.229 120.400 0.174 0.000 2.498 469 K HA 0.311 5.183 4.320 0.920 0.000 0.207 469 K C 0.380 177.059 176.600 0.131 0.000 1.033 469 K CA -0.043 56.339 56.287 0.158 0.000 1.138 469 K CB 0.320 32.903 32.500 0.139 0.000 0.860 469 K HN 0.506 nan 8.250 nan 0.000 0.490 470 H N -0.562 118.524 119.070 0.027 0.000 2.904 470 H HA 0.139 5.248 4.556 0.921 0.000 0.242 470 H C -1.105 174.263 175.328 0.066 0.000 1.193 470 H CA -0.834 55.231 56.048 0.029 0.000 0.946 470 H CB 0.329 30.126 29.762 0.058 0.000 2.135 470 H HN 0.041 nan 8.280 nan 0.000 0.652 471 D N 0.552 121.039 120.400 0.146 0.000 2.443 471 D HA 0.021 5.213 4.640 0.920 0.000 0.239 471 D C 0.053 176.433 176.300 0.134 0.000 1.136 471 D CA 0.495 54.605 54.000 0.183 0.000 0.879 471 D CB 0.474 41.348 40.800 0.122 0.000 1.195 471 D HN 0.058 nan 8.370 nan 0.000 0.443 472 F N 2.081 122.076 119.950 0.075 0.000 2.384 472 F HA 0.467 5.543 4.527 0.916 0.000 0.338 472 F C 0.997 176.835 175.800 0.064 0.000 1.103 472 F CA -0.203 57.825 58.000 0.047 0.000 1.157 472 F CB 0.689 39.719 39.000 0.050 0.000 1.167 472 F HN -0.113 nan 8.300 nan 0.000 0.529 473 R N 1.013 121.628 120.500 0.191 0.000 2.594 473 R HA 0.483 5.375 4.340 0.920 0.000 0.265 473 R C -1.912 174.519 176.300 0.218 0.000 1.070 473 R CA -0.875 55.343 56.100 0.196 0.000 0.909 473 R CB 1.868 32.291 30.300 0.204 0.000 1.243 473 R HN 0.385 nan 8.270 nan 0.000 0.455 474 V N 3.095 123.130 119.914 0.201 0.000 2.347 474 V HA 0.217 4.889 4.120 0.920 0.000 0.280 474 V C 0.380 176.660 176.094 0.309 0.000 1.021 474 V CA -0.541 61.885 62.300 0.210 0.000 0.847 474 V CB 1.357 33.240 31.823 0.100 0.000 0.990 474 V HN 0.732 nan 8.190 nan 0.000 0.444 475 W N 2.145 123.496 121.300 0.086 0.000 2.436 475 W HA 0.003 5.231 4.660 0.946 0.000 0.284 475 W C 1.088 177.638 176.519 0.052 0.000 1.225 475 W CA -0.198 57.285 57.345 0.230 0.000 1.271 475 W CB -0.661 29.066 29.460 0.445 0.000 1.114 475 W HN 0.542 nan 8.180 nan 0.000 0.559 476 N N 0.139 118.846 118.700 0.012 0.000 2.416 476 N HA -0.010 5.282 4.740 0.920 0.000 0.246 476 N C 1.261 176.586 175.510 -0.308 0.000 1.260 476 N CA 0.968 53.672 53.050 -0.578 0.000 0.897 476 N CB 0.450 38.731 38.487 -0.343 0.000 1.110 476 N HN -0.082 nan 8.380 nan 0.000 0.439 477 S N -0.010 115.482 115.700 -0.346 0.000 2.458 477 S HA 0.019 5.041 4.470 0.920 0.000 0.223 477 S C 0.256 174.745 174.600 -0.185 0.000 1.019 477 S CA 0.389 58.476 58.200 -0.188 0.000 0.937 477 S CB 0.040 63.173 63.200 -0.111 0.000 0.788 477 S HN 0.638 nan 8.310 nan 0.000 0.511 478 Q N -0.363 119.312 119.800 -0.210 0.000 2.423 478 Q HA 0.515 5.407 4.340 0.920 0.000 0.278 478 Q C 0.277 176.136 176.000 -0.235 0.000 1.097 478 Q CA -0.582 55.095 55.803 -0.209 0.000 0.809 478 Q CB 1.977 30.634 28.738 -0.136 0.000 1.391 478 Q HN 0.072 nan 8.270 nan 0.000 0.428 479 L N 0.576 121.661 121.223 -0.229 0.000 2.043 479 L HA -0.088 4.804 4.340 0.920 0.000 0.212 479 L C 0.605 177.327 176.870 -0.246 0.000 1.075 479 L CA 1.456 56.178 54.840 -0.197 0.000 0.752 479 L CB -0.135 41.811 42.059 -0.188 0.000 0.891 479 L HN 0.525 nan 8.230 nan 0.000 0.432 480 I N -0.291 120.048 120.570 -0.386 0.000 2.382 480 I HA 0.327 5.049 4.170 0.920 0.000 0.286 480 I C -0.084 175.484 176.117 -0.914 0.000 1.002 480 I CA -0.203 60.705 61.300 -0.654 0.000 1.135 480 I CB 1.440 38.952 38.000 -0.813 0.000 1.288 480 I HN 0.086 nan 8.210 nan 0.000 0.448 481 R N 4.268 124.365 120.500 -0.672 0.000 2.734 481 R HA 0.498 5.389 4.340 0.920 0.000 0.271 481 R C -1.740 174.359 176.300 -0.335 0.000 1.021 481 R CA -0.960 54.831 56.100 -0.515 0.000 0.893 481 R CB 2.518 32.700 30.300 -0.197 0.000 1.244 481 R HN 0.392 nan 8.270 nan 0.000 0.464 482 Y N 0.270 120.623 120.300 0.089 0.000 2.361 482 Y HA 0.487 5.589 4.550 0.920 0.000 0.332 482 Y C 0.761 176.746 175.900 0.141 0.000 1.101 482 Y CA -0.874 57.332 58.100 0.177 0.000 1.137 482 Y CB 1.788 40.454 38.460 0.343 0.000 1.207 482 Y HN 0.629 nan 8.280 nan 0.000 0.463 483 A N 1.827 124.820 122.820 0.287 0.000 2.386 483 A HA 0.556 5.427 4.320 0.920 0.000 0.246 483 A C 0.446 177.956 177.584 -0.123 0.000 1.089 483 A CA 0.298 52.345 52.037 0.016 0.000 0.790 483 A CB -0.189 18.782 19.000 -0.048 0.000 1.042 483 A HN 0.903 nan 8.150 nan 0.000 0.497 484 G N -0.265 108.342 108.800 -0.322 0.000 2.683 484 G HA2 0.571 5.083 3.960 0.920 0.000 0.299 484 G HA3 0.571 5.083 3.960 0.920 0.000 0.299 484 G C -1.355 173.325 174.900 -0.368 0.000 1.432 484 G CA -0.258 44.691 45.100 -0.250 0.000 0.978 484 G HN 0.520 nan 8.290 nan 0.000 0.513 485 Y N 1.257 121.579 120.300 0.037 0.000 2.350 485 Y HA 0.449 5.550 4.550 0.917 0.000 0.338 485 Y C 0.702 176.603 175.900 0.002 0.000 0.961 485 Y CA -1.005 57.109 58.100 0.024 0.000 1.100 485 Y CB 2.172 40.643 38.460 0.018 0.000 1.179 485 Y HN 0.311 nan 8.280 nan 0.000 0.454 486 K N 2.961 123.441 120.400 0.133 0.000 2.382 486 K HA 0.197 5.069 4.320 0.920 0.000 0.275 486 K C -0.474 176.172 176.600 0.075 0.000 1.009 486 K CA -0.143 56.191 56.287 0.078 0.000 0.970 486 K CB 0.565 33.093 32.500 0.047 0.000 0.934 486 K HN 0.675 nan 8.250 nan 0.000 0.479 487 Q N 2.398 122.224 119.800 0.044 0.000 2.377 487 Q HA 0.191 5.082 4.340 0.920 0.000 0.271 487 Q C -1.805 174.200 176.000 0.008 0.000 1.077 487 Q CA -2.104 53.712 55.803 0.021 0.000 0.820 487 Q CB 1.681 30.427 28.738 0.012 0.000 1.347 487 Q HN 0.334 nan 8.270 nan 0.000 0.444 488 P HA -0.298 nan 4.420 nan 0.000 0.218 488 P C 0.893 178.191 177.300 -0.004 0.000 1.154 488 P CA 1.463 64.560 63.100 -0.005 0.000 0.872 488 P CB 0.207 31.899 31.700 -0.013 0.000 0.790 489 D N -1.064 119.333 120.400 -0.005 0.000 2.192 489 D HA -0.224 4.967 4.640 0.920 0.000 0.189 489 D C 1.656 177.956 176.300 -0.000 0.000 1.007 489 D CA 2.533 56.530 54.000 -0.004 0.000 0.859 489 D CB -0.541 40.256 40.800 -0.004 0.000 0.936 489 D HN 0.293 nan 8.370 nan 0.000 0.447 490 G N -0.581 108.221 108.800 0.004 0.000 2.380 490 G HA2 -0.213 4.299 3.960 0.920 0.000 0.197 490 G HA3 -0.213 4.299 3.960 0.920 0.000 0.197 490 G C 0.473 175.378 174.900 0.008 0.000 1.001 490 G CA 0.794 45.898 45.100 0.006 0.000 0.668 490 G HN 0.788 nan 8.290 nan 0.000 0.483 491 S N 0.108 115.812 115.700 0.007 0.000 2.634 491 S HA 0.692 5.713 4.470 0.920 0.000 0.261 491 S C 0.088 174.695 174.600 0.011 0.000 1.271 491 S CA 0.847 59.051 58.200 0.007 0.000 0.985 491 S CB 1.669 64.871 63.200 0.003 0.000 0.968 491 S HN 0.604 nan 8.310 nan 0.000 0.568 492 T N 1.700 116.257 114.554 0.005 0.000 2.823 492 T HA 0.536 5.438 4.350 0.920 0.000 0.279 492 T C -0.803 173.899 174.700 0.004 0.000 0.998 492 T CA -0.471 61.633 62.100 0.007 0.000 0.994 492 T CB 1.049 69.906 68.868 -0.018 0.000 0.960 492 T HN 0.567 nan 8.240 nan 0.000 0.448 493 L N 3.326 124.580 121.223 0.051 0.000 2.309 493 L HA 0.733 5.625 4.340 0.920 0.000 0.282 493 L C 0.758 177.675 176.870 0.079 0.000 1.036 493 L CA 1.069 55.948 54.840 0.065 0.000 0.806 493 L CB 0.311 42.429 42.059 0.097 0.000 1.220 493 L HN 0.970 nan 8.230 nan 0.000 0.429 494 G N 3.677 112.467 108.800 -0.017 0.000 2.512 494 G HA2 -0.241 4.271 3.960 0.920 0.000 0.240 494 G HA3 -0.241 4.271 3.960 0.920 0.000 0.240 494 G C -0.665 173.968 174.900 -0.446 0.000 1.246 494 G CA 0.012 45.072 45.100 -0.066 0.000 0.919 494 G HN 0.786 nan 8.290 nan 0.000 0.577 495 D N 1.661 121.909 120.400 -0.253 0.000 2.347 495 D HA 0.521 5.712 4.640 0.920 0.000 0.235 495 D C -0.947 175.274 176.300 -0.132 0.000 1.149 495 D CA -1.835 51.981 54.000 -0.308 0.000 0.850 495 D CB 1.383 42.318 40.800 0.226 0.000 1.061 495 D HN -0.013 nan 8.370 nan 0.000 0.487 496 P HA -0.073 nan 4.420 nan 0.000 0.218 496 P C 0.993 178.298 177.300 0.009 0.000 1.149 496 P CA 0.851 63.916 63.100 -0.058 0.000 0.817 496 P CB 0.204 31.871 31.700 -0.055 0.000 0.785 497 A N -0.374 122.473 122.820 0.045 0.000 2.131 497 A HA -0.176 4.696 4.320 0.920 0.000 0.220 497 A C 1.618 179.260 177.584 0.098 0.000 1.158 497 A CA 1.595 53.685 52.037 0.089 0.000 0.665 497 A CB -0.981 18.097 19.000 0.130 0.000 0.795 497 A HN 0.173 nan 8.150 nan 0.000 0.460 498 N N -0.903 117.847 118.700 0.082 0.000 2.235 498 N HA 0.166 5.458 4.740 0.920 0.000 0.231 498 N C 1.127 176.668 175.510 0.051 0.000 1.177 498 N CA 0.251 53.359 53.050 0.097 0.000 0.874 498 N CB 0.560 39.118 38.487 0.119 0.000 1.097 498 N HN 0.191 nan 8.380 nan 0.000 0.518 499 V N 1.197 121.121 119.914 0.016 0.000 2.214 499 V HA -0.310 4.362 4.120 0.920 0.000 0.247 499 V C 2.526 178.600 176.094 -0.032 0.000 1.051 499 V CA 1.902 64.189 62.300 -0.022 0.000 1.003 499 V CB -0.576 31.244 31.823 -0.004 0.000 0.635 499 V HN 0.332 nan 8.190 nan 0.000 0.447 500 Q N -1.135 118.657 119.800 -0.015 0.000 2.096 500 Q HA -0.290 4.602 4.340 0.920 0.000 0.208 500 Q C 2.101 177.970 176.000 -0.218 0.000 0.993 500 Q CA 2.619 58.365 55.803 -0.093 0.000 0.862 500 Q CB -0.284 28.430 28.738 -0.040 0.000 0.915 500 Q HN 0.653 nan 8.270 nan 0.000 0.416 501 F N 0.441 120.207 119.950 -0.307 0.000 2.146 501 F HA -0.180 4.895 4.527 0.913 0.000 0.298 501 F C 2.147 177.810 175.800 -0.227 0.000 1.096 501 F CA 1.864 59.654 58.000 -0.350 0.000 1.275 501 F CB -0.501 38.381 39.000 -0.197 0.000 1.008 501 F HN -0.002 nan 8.300 nan 0.000 0.480 502 T N -0.018 114.431 114.554 -0.175 0.000 2.720 502 T HA -0.222 4.679 4.350 0.920 0.000 0.268 502 T C 1.776 176.370 174.700 -0.177 0.000 1.037 502 T CA 1.856 63.825 62.100 -0.217 0.000 1.144 502 T CB -0.362 68.388 68.868 -0.196 0.000 0.864 502 T HN 0.404 nan 8.240 nan 0.000 0.444 503 E N 0.285 120.389 120.200 -0.160 0.000 2.150 503 E HA -0.013 4.889 4.350 0.920 0.000 0.193 503 E C 2.138 178.632 176.600 -0.176 0.000 0.985 503 E CA 0.653 56.983 56.400 -0.117 0.000 0.814 503 E CB -0.212 29.437 29.700 -0.084 0.000 0.752 503 E HN 0.498 nan 8.360 nan 0.000 0.466 504 I N 0.495 120.889 120.570 -0.293 0.000 2.361 504 I HA -0.312 4.410 4.170 0.920 0.000 0.251 504 I C 2.283 178.217 176.117 -0.304 0.000 1.133 504 I CA 0.554 61.678 61.300 -0.293 0.000 1.413 504 I CB -0.181 37.614 38.000 -0.342 0.000 1.073 504 I HN 0.254 nan 8.210 nan 0.000 0.424 505 C N 0.638 119.690 119.300 -0.412 0.000 2.476 505 C HA -0.069 4.943 4.460 0.920 0.000 0.278 505 C C 2.701 177.661 174.990 -0.051 0.000 1.274 505 C CA 0.370 59.188 59.018 -0.333 0.000 1.713 505 C CB -0.679 26.744 27.740 -0.528 0.000 2.039 505 C HN 0.418 nan 8.230 nan 0.000 0.484 506 I N 1.327 121.926 120.570 0.049 0.000 2.226 506 I HA -0.280 4.442 4.170 0.920 0.000 0.245 506 I C 2.862 178.973 176.117 -0.009 0.000 1.100 506 I CA 1.863 63.223 61.300 0.100 0.000 1.374 506 I CB -0.830 37.233 38.000 0.106 0.000 1.057 506 I HN 0.517 nan 8.210 nan 0.000 0.413 507 Q N 0.900 120.659 119.800 -0.069 0.000 2.167 507 Q HA -0.227 4.665 4.340 0.920 0.000 0.202 507 Q C 1.719 177.632 176.000 -0.145 0.000 0.970 507 Q CA 1.220 56.956 55.803 -0.112 0.000 0.855 507 Q CB -0.105 28.550 28.738 -0.138 0.000 0.911 507 Q HN 0.481 nan 8.270 nan 0.000 0.438 508 Q N -0.449 119.261 119.800 -0.151 0.000 2.373 508 Q HA 0.090 4.981 4.340 0.920 0.000 0.206 508 Q C 0.749 176.683 176.000 -0.110 0.000 0.942 508 Q CA 0.891 56.599 55.803 -0.159 0.000 0.953 508 Q CB 0.783 29.414 28.738 -0.179 0.000 1.022 508 Q HN 0.696 nan 8.270 nan 0.000 0.502 509 G N -0.364 108.399 108.800 -0.061 0.000 2.231 509 G HA2 -0.220 4.291 3.960 0.920 0.000 0.206 509 G HA3 -0.220 4.291 3.960 0.920 0.000 0.206 509 G C -0.293 174.636 174.900 0.048 0.000 0.996 509 G CA -0.247 44.835 45.100 -0.030 0.000 0.645 509 G HN 0.326 nan 8.290 nan 0.000 0.498 510 W N 3.392 124.612 121.300 -0.134 0.000 2.314 510 W HA 0.494 5.701 4.660 0.912 0.000 0.339 510 W C 0.575 177.056 176.519 -0.064 0.000 1.293 510 W CA -0.234 57.048 57.345 -0.104 0.000 1.288 510 W CB 0.721 30.117 29.460 -0.107 0.000 1.186 510 W HN -0.003 nan 8.180 nan 0.000 0.566 511 K N 6.361 126.523 120.400 -0.397 0.000 2.219 511 K HA 0.382 5.254 4.320 0.920 0.000 0.280 511 K C -0.698 175.188 176.600 -1.191 0.000 1.104 511 K CA -0.138 55.823 56.287 -0.543 0.000 0.925 511 K CB -0.098 32.210 32.500 -0.319 0.000 1.261 511 K HN 0.475 nan 8.250 nan 0.000 0.445 512 A N 6.478 128.652 122.820 -1.076 0.000 2.409 512 A HA 0.318 5.190 4.320 0.920 0.000 0.267 512 A C -1.462 175.729 177.584 -0.654 0.000 1.127 512 A CA -1.112 50.166 52.037 -1.265 0.000 0.795 512 A CB 0.332 19.078 19.000 -0.423 0.000 1.061 512 A HN 0.545 nan 8.150 nan 0.000 0.502 513 P HA -0.073 nan 4.420 nan 0.000 0.222 513 P C 0.098 177.229 177.300 -0.281 0.000 1.153 513 P CA 0.356 63.293 63.100 -0.272 0.000 0.798 513 P CB 0.082 31.713 31.700 -0.116 0.000 0.796 514 R N -1.447 118.816 120.500 -0.395 0.000 3.515 514 R HA -0.066 4.825 4.340 0.920 0.000 0.292 514 R C 0.680 176.764 176.300 -0.360 0.000 1.148 514 R CA 0.294 55.932 56.100 -0.769 0.000 0.786 514 R CB -2.394 27.507 30.300 -0.665 0.000 1.327 514 R HN 0.376 nan 8.270 nan 0.000 0.454 515 G N -0.585 108.167 108.800 -0.081 0.000 2.753 515 G HA2 0.427 4.939 3.960 0.920 0.000 0.285 515 G HA3 0.427 4.939 3.960 0.920 0.000 0.285 515 G C 0.288 175.255 174.900 0.112 0.000 1.344 515 G CA -0.424 44.689 45.100 0.021 0.000 1.050 515 G HN 0.159 nan 8.290 nan 0.000 0.532 516 R N -1.615 118.889 120.500 0.007 0.000 2.223 516 R HA 0.234 5.125 4.340 0.920 0.000 0.198 516 R C -0.002 175.978 176.300 -0.535 0.000 0.984 516 R CA 0.426 56.401 56.100 -0.209 0.000 1.018 516 R CB 0.030 30.144 30.300 -0.310 0.000 0.945 516 R HN 0.380 nan 8.270 nan 0.000 0.479 517 F N 1.179 121.130 119.950 0.002 0.000 2.688 517 F HA 0.276 5.354 4.527 0.917 0.000 0.376 517 F C -1.029 174.796 175.800 0.041 0.000 1.428 517 F CA -1.114 56.676 58.000 -0.350 0.000 1.156 517 F CB 0.879 39.533 39.000 -0.577 0.000 1.141 517 F HN -0.212 nan 8.300 nan 0.000 0.521 518 D N 1.650 122.283 120.400 0.387 0.000 2.325 518 D HA 0.148 5.340 4.640 0.920 0.000 0.251 518 D C 0.205 176.842 176.300 0.563 0.000 1.196 518 D CA 0.183 54.470 54.000 0.477 0.000 0.866 518 D CB 1.907 43.036 40.800 0.547 0.000 1.101 518 D HN -0.063 nan 8.370 nan 0.000 0.476 519 V N 3.896 124.086 119.914 0.460 0.000 2.479 519 V HA 0.009 4.681 4.120 0.920 0.000 0.281 519 V C 0.968 177.155 176.094 0.155 0.000 1.031 519 V CA -0.338 62.114 62.300 0.253 0.000 1.038 519 V CB 0.311 32.221 31.823 0.146 0.000 0.981 519 V HN 0.374 nan 8.190 nan 0.000 0.478 520 L N 8.623 129.834 121.223 -0.020 0.000 2.452 520 L HA 0.298 5.190 4.340 0.920 0.000 0.267 520 L C -1.631 175.065 176.870 -0.291 0.000 1.188 520 L CA -1.199 53.481 54.840 -0.267 0.000 0.821 520 L CB 0.689 42.679 42.059 -0.115 0.000 1.102 520 L HN 0.491 nan 8.230 nan 0.000 0.470 521 P HA 0.188 nan 4.420 nan 0.000 0.276 521 P C -1.000 176.214 177.300 -0.143 0.000 1.252 521 P CA -0.507 62.376 63.100 -0.362 0.000 0.802 521 P CB 0.796 32.116 31.700 -0.634 0.000 1.035 522 L N 0.891 122.083 121.223 -0.051 0.000 2.371 522 L HA 0.329 5.221 4.340 0.920 0.000 0.272 522 L C 0.688 177.583 176.870 0.043 0.000 1.124 522 L CA -0.478 54.397 54.840 0.058 0.000 0.816 522 L CB 0.234 42.356 42.059 0.106 0.000 1.129 522 L HN 0.234 nan 8.230 nan 0.000 0.448 523 L N 4.998 126.288 121.223 0.113 0.000 2.318 523 L HA 0.484 5.376 4.340 0.920 0.000 0.277 523 L C -0.934 175.893 176.870 -0.072 0.000 1.008 523 L CA -0.375 54.439 54.840 -0.044 0.000 0.846 523 L CB 1.009 43.087 42.059 0.032 0.000 1.220 523 L HN 0.519 nan 8.230 nan 0.000 0.423 524 L N 4.472 125.643 121.223 -0.086 0.000 2.322 524 L HA 0.488 5.379 4.340 0.920 0.000 0.281 524 L C -0.285 176.476 176.870 -0.181 0.000 1.014 524 L CA -0.393 54.408 54.840 -0.064 0.000 0.815 524 L CB 1.963 44.026 42.059 0.008 0.000 1.247 524 L HN 0.551 nan 8.230 nan 0.000 0.421 525 Q N 3.054 122.760 119.800 -0.156 0.000 2.331 525 Q HA 0.748 5.639 4.340 0.920 0.000 0.267 525 Q C -1.454 174.376 176.000 -0.283 0.000 1.006 525 Q CA -0.647 55.034 55.803 -0.204 0.000 0.818 525 Q CB 2.208 30.895 28.738 -0.086 0.000 1.276 525 Q HN 0.757 nan 8.270 nan 0.000 0.450 526 A N 4.187 126.766 122.820 -0.403 0.000 2.342 526 A HA 0.381 5.253 4.320 0.920 0.000 0.323 526 A C 0.127 177.210 177.584 -0.834 0.000 1.125 526 A CA -0.467 51.084 52.037 -0.811 0.000 0.785 526 A CB 0.818 19.567 19.000 -0.418 0.000 1.221 526 A HN 1.096 nan 8.150 nan 0.000 0.463 527 N N 0.918 118.762 118.700 -1.427 0.000 2.721 527 N HA -0.243 5.049 4.740 0.920 0.000 0.249 527 N C 0.984 176.301 175.510 -0.322 0.000 1.072 527 N CA 1.612 54.333 53.050 -0.550 0.000 0.710 527 N CB -0.672 37.688 38.487 -0.211 0.000 0.993 527 N HN 2.209 nan 8.380 nan 0.000 0.547 528 G N -1.160 107.472 108.800 -0.281 0.000 2.155 528 G HA2 -0.328 4.184 3.960 0.920 0.000 0.257 528 G HA3 -0.328 4.184 3.960 0.920 0.000 0.257 528 G C 0.253 175.078 174.900 -0.125 0.000 0.983 528 G CA 0.608 45.614 45.100 -0.156 0.000 0.676 528 G HN 0.589 nan 8.290 nan 0.000 0.528 529 N N 0.798 119.393 118.700 -0.176 0.000 2.379 529 N HA 0.302 5.594 4.740 0.920 0.000 0.260 529 N C -0.008 175.441 175.510 -0.102 0.000 1.254 529 N CA -0.427 52.555 53.050 -0.114 0.000 0.958 529 N CB 0.323 38.733 38.487 -0.129 0.000 1.208 529 N HN 0.138 nan 8.380 nan 0.000 0.532 530 D N 1.333 121.683 120.400 -0.082 0.000 2.455 530 D HA 0.107 5.299 4.640 0.920 0.000 0.241 530 D C -1.907 174.198 176.300 -0.324 0.000 1.138 530 D CA -0.430 53.448 54.000 -0.202 0.000 0.877 530 D CB 0.244 41.064 40.800 0.032 0.000 1.187 530 D HN 0.261 nan 8.370 nan 0.000 0.451 531 P HA 0.142 nan 4.420 nan 0.000 0.275 531 P C -0.496 176.563 177.300 -0.402 0.000 1.227 531 P CA -0.175 62.549 63.100 -0.626 0.000 0.781 531 P CB 1.379 32.272 31.700 -1.344 0.000 0.906 532 E N 1.151 121.159 120.200 -0.319 0.000 2.299 532 E HA 0.573 5.475 4.350 0.920 0.000 0.260 532 E C -0.603 175.706 176.600 -0.485 0.000 0.944 532 E CA -1.056 55.126 56.400 -0.363 0.000 0.815 532 E CB 1.355 30.834 29.700 -0.367 0.000 1.252 532 E HN 0.340 nan 8.360 nan 0.000 0.418 533 L N 1.588 122.368 121.223 -0.739 0.000 2.329 533 L HA 0.541 5.433 4.340 0.920 0.000 0.279 533 L C -1.254 174.907 176.870 -1.181 0.000 1.014 533 L CA -0.468 53.958 54.840 -0.691 0.000 0.814 533 L CB 0.679 42.480 42.059 -0.430 0.000 1.257 533 L HN 0.428 nan 8.230 nan 0.000 0.424 534 F N 0.451 120.156 119.950 -0.408 0.000 2.601 534 F HA 0.391 4.830 4.527 -0.147 0.000 0.309 534 F C -0.218 175.311 175.800 -0.451 0.000 1.089 534 F CA -0.693 56.937 58.000 -0.617 0.000 0.940 534 F CB 1.844 40.066 39.000 -1.297 0.000 1.273 534 F HN 0.312 nan 8.300 nan 0.000 0.450 535 Q N 2.840 122.548 119.800 -0.152 0.000 2.274 535 Q HA 0.529 5.421 4.340 0.920 0.000 0.256 535 Q C -0.564 175.520 176.000 0.140 0.000 0.927 535 Q CA -0.580 55.230 55.803 0.013 0.000 0.939 535 Q CB 1.016 29.816 28.738 0.104 0.000 1.201 535 Q HN 0.671 nan 8.270 nan 0.000 0.426 536 I N 6.438 127.138 120.570 0.216 0.000 2.775 536 I HA -0.016 4.706 4.170 0.920 0.000 0.290 536 I C -1.905 174.361 176.117 0.248 0.000 1.203 536 I CA -1.473 60.024 61.300 0.328 0.000 1.433 536 I CB 0.238 38.343 38.000 0.175 0.000 1.354 536 I HN 0.510 nan 8.210 nan 0.000 0.579 537 P HA -0.004 nan 4.420 nan 0.000 0.260 537 P C -1.984 175.385 177.300 0.115 0.000 1.185 537 P CA -0.701 62.494 63.100 0.158 0.000 0.763 537 P CB 0.137 31.902 31.700 0.109 0.000 0.776 538 P HA -0.221 nan 4.420 nan 0.000 0.216 538 P C 1.292 178.636 177.300 0.073 0.000 1.150 538 P CA 1.426 64.582 63.100 0.094 0.000 0.843 538 P CB -0.213 31.543 31.700 0.094 0.000 0.787 539 E N -0.121 120.117 120.200 0.063 0.000 2.515 539 E HA -0.103 4.799 4.350 0.920 0.000 0.201 539 E C 1.498 178.122 176.600 0.040 0.000 1.071 539 E CA 0.811 57.239 56.400 0.047 0.000 0.880 539 E CB -0.866 28.857 29.700 0.039 0.000 0.828 539 E HN 0.325 nan 8.360 nan 0.000 0.540 540 L N 0.617 121.868 121.223 0.047 0.000 2.463 540 L HA 0.140 5.032 4.340 0.920 0.000 0.219 540 L C 0.679 177.575 176.870 0.042 0.000 1.088 540 L CA -0.001 54.863 54.840 0.039 0.000 0.849 540 L CB 0.612 42.691 42.059 0.034 0.000 1.012 540 L HN -0.101 nan 8.230 nan 0.000 0.468 541 V N 2.752 122.695 119.914 0.047 0.000 2.313 541 V HA 0.068 4.740 4.120 0.920 0.000 0.252 541 V C 0.219 176.347 176.094 0.056 0.000 1.112 541 V CA -0.442 61.884 62.300 0.043 0.000 0.984 541 V CB 0.589 32.433 31.823 0.035 0.000 1.157 541 V HN 0.093 nan 8.190 nan 0.000 0.493 542 L N 5.288 126.544 121.223 0.055 0.000 2.462 542 L HA 0.341 5.233 4.340 0.920 0.000 0.272 542 L C 0.168 177.075 176.870 0.061 0.000 1.166 542 L CA 0.943 55.807 54.840 0.041 0.000 0.880 542 L CB 0.174 42.248 42.059 0.025 0.000 1.142 542 L HN 0.638 nan 8.230 nan 0.000 0.473 543 E N 3.283 123.502 120.200 0.032 0.000 2.312 543 E HA 0.597 5.499 4.350 0.920 0.000 0.267 543 E C -1.511 175.056 176.600 -0.055 0.000 0.894 543 E CA -0.996 55.431 56.400 0.045 0.000 0.773 543 E CB 2.456 32.213 29.700 0.096 0.000 1.241 543 E HN 0.418 nan 8.360 nan 0.000 0.432 544 V N 3.088 122.952 119.914 -0.083 0.000 2.407 544 V HA 0.323 4.995 4.120 0.920 0.000 0.291 544 V C -2.448 173.637 176.094 -0.016 0.000 1.018 544 V CA -2.099 60.107 62.300 -0.157 0.000 0.842 544 V CB 1.395 32.912 31.823 -0.509 0.000 0.996 544 V HN 0.536 nan 8.190 nan 0.000 0.426 545 P HA 0.287 nan 4.420 nan 0.000 0.276 545 P C -0.722 176.635 177.300 0.095 0.000 1.235 545 P CA -0.182 62.933 63.100 0.026 0.000 0.772 545 P CB 0.462 32.172 31.700 0.016 0.000 0.871 546 I N 4.662 125.330 120.570 0.163 0.000 2.304 546 I HA 0.311 5.032 4.170 0.920 0.000 0.291 546 I C 1.010 177.348 176.117 0.368 0.000 1.018 546 I CA -0.400 61.072 61.300 0.287 0.000 1.260 546 I CB 0.080 38.330 38.000 0.417 0.000 1.390 546 I HN 0.403 nan 8.210 nan 0.000 0.475 547 R N 5.195 125.881 120.500 0.309 0.000 2.888 547 R HA 0.537 5.429 4.340 0.920 0.000 0.266 547 R C -1.038 175.367 176.300 0.175 0.000 1.020 547 R CA -0.691 55.597 56.100 0.315 0.000 0.963 547 R CB 2.186 32.633 30.300 0.245 0.000 1.197 547 R HN 0.561 nan 8.270 nan 0.000 0.481 548 H N 1.819 120.816 119.070 -0.122 0.000 2.492 548 H HA 0.296 5.404 4.556 0.919 0.000 0.345 548 H C -1.798 173.260 175.328 -0.449 0.000 1.136 548 H CA -2.068 53.732 56.048 -0.414 0.000 1.202 548 H CB 2.520 31.872 29.762 -0.685 0.000 1.524 548 H HN 0.346 nan 8.280 nan 0.000 0.506 549 P HA -0.013 nan 4.420 nan 0.000 0.225 549 P C 0.497 177.525 177.300 -0.454 0.000 1.156 549 P CA 1.004 63.506 63.100 -0.996 0.000 0.787 549 P CB 0.833 31.719 31.700 -1.357 0.000 0.802 550 K N -1.096 119.133 120.400 -0.285 0.000 2.262 550 K HA 0.161 5.032 4.320 0.920 0.000 0.200 550 K C 0.754 177.261 176.600 -0.156 0.000 1.058 550 K CA 0.188 56.333 56.287 -0.237 0.000 0.974 550 K CB 0.000 32.267 32.500 -0.389 0.000 0.910 550 K HN 0.118 nan 8.250 nan 0.000 0.484 551 F N 2.813 122.659 119.950 -0.173 0.000 2.439 551 F HA 0.003 5.081 4.527 0.919 0.000 0.356 551 F C 1.238 176.715 175.800 -0.538 0.000 1.161 551 F CA -0.833 56.766 58.000 -0.667 0.000 1.151 551 F CB 0.603 38.725 39.000 -1.462 0.000 1.222 551 F HN 0.066 nan 8.300 nan 0.000 0.558 552 D N 5.016 125.350 120.400 -0.111 0.000 2.123 552 D HA -0.226 4.966 4.640 0.920 0.000 0.196 552 D C 2.081 178.407 176.300 0.043 0.000 0.992 552 D CA 1.569 55.571 54.000 0.003 0.000 0.833 552 D CB -0.031 40.820 40.800 0.084 0.000 0.954 552 D HN 0.645 nan 8.370 nan 0.000 0.455 553 W N -0.372 121.033 121.300 0.175 0.000 2.468 553 W HA -0.139 5.073 4.660 0.919 0.000 0.262 553 W C 1.591 178.196 176.519 0.143 0.000 1.241 553 W CA -0.260 57.151 57.345 0.111 0.000 1.232 553 W CB -1.433 28.044 29.460 0.028 0.000 1.124 553 W HN -0.073 nan 8.180 nan 0.000 0.597 554 F N 3.693 123.541 119.950 -0.168 0.000 2.091 554 F HA -0.295 4.783 4.527 0.919 0.000 0.299 554 F C 2.754 178.624 175.800 0.117 0.000 1.103 554 F CA 3.370 61.351 58.000 -0.033 0.000 1.228 554 F CB -0.405 38.485 39.000 -0.183 0.000 0.984 554 F HN -0.114 nan 8.300 nan 0.000 0.477 555 K N -0.644 119.905 120.400 0.249 0.000 2.173 555 K HA -0.244 4.628 4.320 0.920 0.000 0.207 555 K C 1.226 177.881 176.600 0.092 0.000 1.046 555 K CA 2.011 58.399 56.287 0.167 0.000 0.929 555 K CB -0.784 31.804 32.500 0.146 0.000 0.720 555 K HN 0.202 nan 8.250 nan 0.000 0.453 556 D N 1.006 121.469 120.400 0.105 0.000 2.392 556 D HA -0.022 5.170 4.640 0.920 0.000 0.228 556 D C 1.550 177.865 176.300 0.024 0.000 1.003 556 D CA 0.607 54.653 54.000 0.076 0.000 0.917 556 D CB 0.023 40.889 40.800 0.109 0.000 0.890 556 D HN 0.323 nan 8.370 nan 0.000 0.532 557 L N -0.533 120.667 121.223 -0.039 0.000 2.492 557 L HA 0.131 5.023 4.340 0.920 0.000 0.223 557 L C 1.414 178.276 176.870 -0.013 0.000 1.132 557 L CA 0.271 55.062 54.840 -0.081 0.000 0.850 557 L CB -0.272 41.641 42.059 -0.244 0.000 0.966 557 L HN 0.025 nan 8.230 nan 0.000 0.454 558 G N 1.489 110.294 108.800 0.010 0.000 2.338 558 G HA2 -0.279 4.233 3.960 0.920 0.000 0.296 558 G HA3 -0.279 4.233 3.960 0.920 0.000 0.296 558 G C -0.069 174.852 174.900 0.035 0.000 1.040 558 G CA -0.046 45.082 45.100 0.047 0.000 1.004 558 G HN 0.227 nan 8.290 nan 0.000 0.509 559 L N -0.055 121.138 121.223 -0.051 0.000 2.312 559 L HA 0.703 5.594 4.340 0.920 0.000 0.281 559 L C 0.731 177.466 176.870 -0.225 0.000 1.070 559 L CA -0.573 54.165 54.840 -0.169 0.000 0.805 559 L CB 1.426 43.375 42.059 -0.184 0.000 1.174 559 L HN 0.486 nan 8.230 nan 0.000 0.434 560 K N 2.313 122.379 120.400 -0.557 0.000 2.508 560 K HA 0.486 5.358 4.320 0.920 0.000 0.260 560 K C -1.928 174.704 176.600 0.053 0.000 0.949 560 K CA -0.939 55.196 56.287 -0.252 0.000 0.834 560 K CB 2.672 34.973 32.500 -0.331 0.000 1.365 560 K HN 0.554 nan 8.250 nan 0.000 0.437 561 W N 2.729 124.048 121.300 0.032 0.000 3.029 561 W HA 0.358 5.574 4.660 0.925 0.000 0.339 561 W C -1.101 175.544 176.519 0.209 0.000 1.198 561 W CA -0.915 56.521 57.345 0.152 0.000 1.148 561 W CB 1.860 31.324 29.460 0.007 0.000 1.451 561 W HN 0.709 nan 8.180 nan 0.000 0.564 562 Y N 0.210 120.435 120.300 -0.125 0.000 2.307 562 Y HA 0.555 5.661 4.550 0.926 0.000 0.324 562 Y C 0.968 177.077 175.900 0.350 0.000 1.238 562 Y CA -0.077 58.030 58.100 0.011 0.000 1.280 562 Y CB 0.285 38.621 38.460 -0.206 0.000 1.248 562 Y HN 0.456 nan 8.280 nan 0.000 0.508 563 G N 1.377 110.411 108.800 0.389 0.000 2.430 563 G HA2 -0.053 4.459 3.960 0.920 0.000 0.216 563 G HA3 -0.053 4.459 3.960 0.920 0.000 0.216 563 G C -0.170 175.031 174.900 0.501 0.000 1.146 563 G CA 0.078 45.441 45.100 0.438 0.000 0.793 563 G HN 0.516 nan 8.290 nan 0.000 0.537 564 L N 2.681 124.157 121.223 0.423 0.000 2.255 564 L HA 0.450 5.342 4.340 0.920 0.000 0.289 564 L C -2.240 174.755 176.870 0.209 0.000 1.046 564 L CA -2.573 52.423 54.840 0.260 0.000 0.816 564 L CB 1.564 43.726 42.059 0.173 0.000 1.197 564 L HN -0.127 nan 8.230 nan 0.000 0.427 565 P HA 0.355 nan 4.420 nan 0.000 0.287 565 P C -1.445 175.765 177.300 -0.151 0.000 1.294 565 P CA -0.363 62.598 63.100 -0.231 0.000 0.776 565 P CB 1.390 32.632 31.700 -0.762 0.000 0.889 566 A N 4.155 126.887 122.820 -0.147 0.000 2.605 566 A HA 0.404 5.276 4.320 0.920 0.000 0.293 566 A C -0.441 176.915 177.584 -0.380 0.000 1.216 566 A CA -0.636 51.250 52.037 -0.253 0.000 0.742 566 A CB 0.714 19.589 19.000 -0.208 0.000 1.170 566 A HN 0.289 nan 8.150 nan 0.000 0.443 567 V N 2.854 122.385 119.914 -0.638 0.000 2.521 567 V HA 0.256 4.928 4.120 0.920 0.000 0.286 567 V C 1.314 176.965 176.094 -0.739 0.000 1.034 567 V CA 1.222 63.090 62.300 -0.719 0.000 1.045 567 V CB 1.147 32.376 31.823 -0.990 0.000 0.974 567 V HN 1.110 nan 8.190 nan 0.000 0.480 568 S N 2.002 117.460 115.700 -0.404 0.000 2.666 568 S HA 0.031 5.053 4.470 0.920 0.000 0.239 568 S C 0.881 175.406 174.600 -0.125 0.000 1.031 568 S CA 0.130 58.180 58.200 -0.249 0.000 1.015 568 S CB -0.282 62.816 63.200 -0.171 0.000 0.981 568 S HN 0.897 nan 8.310 nan 0.000 0.547 569 N N 0.351 118.969 118.700 -0.136 0.000 2.236 569 N HA 0.275 5.567 4.740 0.920 0.000 0.196 569 N C 0.360 175.858 175.510 -0.021 0.000 1.114 569 N CA -0.410 52.596 53.050 -0.073 0.000 0.859 569 N CB 0.099 38.528 38.487 -0.098 0.000 0.982 569 N HN 0.291 nan 8.380 nan 0.000 0.493 570 M N 1.104 120.720 119.600 0.028 0.000 2.369 570 M HA 0.359 5.391 4.480 0.920 0.000 0.291 570 M C -0.727 175.700 176.300 0.211 0.000 1.178 570 M CA -0.816 54.566 55.300 0.136 0.000 0.996 570 M CB 2.072 34.812 32.600 0.234 0.000 1.472 570 M HN 0.076 nan 8.290 nan 0.000 0.496 571 L N 2.147 123.509 121.223 0.232 0.000 2.349 571 L HA 0.486 5.377 4.340 0.920 0.000 0.278 571 L C -1.466 175.544 176.870 0.234 0.000 0.996 571 L CA -0.909 54.055 54.840 0.206 0.000 0.825 571 L CB 1.359 43.484 42.059 0.109 0.000 1.243 571 L HN 0.531 nan 8.230 nan 0.000 0.412 572 L N 4.925 126.294 121.223 0.243 0.000 2.281 572 L HA 0.396 5.288 4.340 0.920 0.000 0.285 572 L C -0.288 176.637 176.870 0.092 0.000 1.074 572 L CA 0.468 55.354 54.840 0.078 0.000 0.817 572 L CB 1.061 43.172 42.059 0.087 0.000 1.168 572 L HN 0.693 nan 8.230 nan 0.000 0.434 573 E N 5.787 125.961 120.200 -0.043 0.000 2.113 573 E HA 0.454 5.356 4.350 0.920 0.000 0.273 573 E C -1.404 175.142 176.600 -0.090 0.000 0.924 573 E CA -0.473 55.901 56.400 -0.042 0.000 0.764 573 E CB 0.915 30.584 29.700 -0.052 0.000 1.104 573 E HN 0.665 nan 8.360 nan 0.000 0.406 574 I N 3.175 123.693 120.570 -0.086 0.000 2.439 574 I HA 0.300 5.022 4.170 0.920 0.000 0.285 574 I C 0.696 176.599 176.117 -0.356 0.000 1.021 574 I CA -0.525 60.602 61.300 -0.288 0.000 1.091 574 I CB 2.021 39.815 38.000 -0.343 0.000 1.242 574 I HN 0.836 nan 8.210 nan 0.000 0.439 575 G N 4.272 112.865 108.800 -0.345 0.000 2.356 575 G HA2 -0.101 4.411 3.960 0.920 0.000 0.296 575 G HA3 -0.101 4.411 3.960 0.920 0.000 0.296 575 G C 1.027 175.968 174.900 0.069 0.000 1.022 575 G CA 0.727 45.788 45.100 -0.065 0.000 0.961 575 G HN 1.557 nan 8.290 nan 0.000 0.510 576 G N -2.026 106.773 108.800 -0.001 0.000 2.234 576 G HA2 -0.250 4.262 3.960 0.920 0.000 0.260 576 G HA3 -0.250 4.262 3.960 0.920 0.000 0.260 576 G C 0.512 175.376 174.900 -0.061 0.000 0.987 576 G CA 0.581 45.688 45.100 0.012 0.000 0.625 576 G HN 1.341 nan 8.290 nan 0.000 0.532 577 L N 1.064 122.190 121.223 -0.160 0.000 2.350 577 L HA 0.535 5.427 4.340 0.920 0.000 0.275 577 L C 0.267 176.899 176.870 -0.396 0.000 1.099 577 L CA -0.485 54.143 54.840 -0.353 0.000 0.808 577 L CB 1.021 42.741 42.059 -0.565 0.000 1.149 577 L HN 0.202 nan 8.230 nan 0.000 0.442 578 E N 3.358 123.283 120.200 -0.458 0.000 2.155 578 E HA 0.364 5.266 4.350 0.920 0.000 0.264 578 E C -1.466 174.863 176.600 -0.451 0.000 0.886 578 E CA -0.432 55.782 56.400 -0.309 0.000 0.752 578 E CB 1.465 31.078 29.700 -0.145 0.000 1.133 578 E HN 0.260 nan 8.360 nan 0.000 0.414 579 F N 1.666 121.595 119.950 -0.035 0.000 2.385 579 F HA 0.110 5.187 4.527 0.917 0.000 0.360 579 F C 1.456 177.295 175.800 0.065 0.000 1.122 579 F CA -0.446 57.556 58.000 0.004 0.000 1.090 579 F CB 1.397 40.384 39.000 -0.022 0.000 1.150 579 F HN 0.427 nan 8.300 nan 0.000 0.472 580 S N 1.303 117.136 115.700 0.220 0.000 2.486 580 S HA 0.391 5.413 4.470 0.920 0.000 0.220 580 S C 0.722 175.452 174.600 0.217 0.000 1.011 580 S CA 0.096 58.404 58.200 0.180 0.000 0.921 580 S CB 0.261 63.540 63.200 0.132 0.000 0.785 580 S HN 0.524 nan 8.310 nan 0.000 0.517 581 A N 1.420 124.419 122.820 0.299 0.000 2.285 581 A HA 0.604 5.476 4.320 0.920 0.000 0.310 581 A C 0.046 177.874 177.584 0.406 0.000 1.266 581 A CA -0.713 51.533 52.037 0.347 0.000 0.832 581 A CB 0.061 19.289 19.000 0.381 0.000 1.163 581 A HN 0.978 nan 8.150 nan 0.000 0.499 582 C N 0.972 120.456 119.300 0.307 0.000 3.327 582 C HA 0.470 5.481 4.460 0.920 0.000 0.192 582 C C -2.733 172.397 174.990 0.233 0.000 1.603 582 C CA -1.971 57.198 59.018 0.251 0.000 1.222 582 C CB -0.367 27.553 27.740 0.300 0.000 1.981 582 C HN 0.573 nan 8.230 nan 0.000 0.563 583 P HA 0.302 nan 4.420 nan 0.000 0.266 583 P C -0.589 176.720 177.300 0.015 0.000 1.195 583 P CA 1.023 64.075 63.100 -0.080 0.000 0.768 583 P CB 0.379 32.000 31.700 -0.132 0.000 0.838 584 F N -0.579 119.303 119.950 -0.113 0.000 2.626 584 F HA 0.791 5.872 4.527 0.922 0.000 0.311 584 F C -0.746 174.974 175.800 -0.132 0.000 1.088 584 F CA -1.181 56.772 58.000 -0.079 0.000 0.949 584 F CB 1.541 40.388 39.000 -0.256 0.000 1.322 584 F HN 0.432 nan 8.300 nan 0.000 0.461 585 S N -0.020 115.782 115.700 0.169 0.000 2.550 585 S HA 0.919 5.941 4.470 0.920 0.000 0.270 585 S C -0.826 173.749 174.600 -0.042 0.000 1.145 585 S CA -0.122 58.103 58.200 0.042 0.000 0.852 585 S CB 1.471 64.765 63.200 0.158 0.000 1.119 585 S HN 1.590 nan 8.310 nan 0.000 0.465 586 G N 0.141 108.876 108.800 -0.109 0.000 3.341 586 G HA2 0.716 5.228 3.960 0.920 0.000 0.186 586 G HA3 0.716 5.228 3.960 0.920 0.000 0.186 586 G C -1.303 173.651 174.900 0.090 0.000 1.430 586 G CA -0.032 44.961 45.100 -0.179 0.000 0.961 586 G HN 1.318 nan 8.290 nan 0.000 0.767 587 W N -1.566 119.730 121.300 -0.006 0.000 3.025 587 W HA 0.775 5.986 4.660 0.918 0.000 0.343 587 W C -1.695 174.824 176.519 -0.000 0.000 1.246 587 W CA -2.206 55.146 57.345 0.011 0.000 1.178 587 W CB 0.426 29.942 29.460 0.094 0.000 1.463 587 W HN 0.420 nan 8.180 nan 0.000 0.578 588 Y N 2.517 123.030 120.300 0.356 0.000 2.346 588 Y HA 0.320 5.422 4.550 0.919 0.000 0.330 588 Y C 0.887 176.858 175.900 0.118 0.000 1.178 588 Y CA -0.750 57.425 58.100 0.124 0.000 1.331 588 Y CB 1.323 39.761 38.460 -0.037 0.000 1.253 588 Y HN 0.370 nan 8.280 nan 0.000 0.529 589 M N 2.978 122.741 119.600 0.270 0.000 2.209 589 M HA 0.276 5.308 4.480 0.920 0.000 0.355 589 M C 1.167 177.454 176.300 -0.021 0.000 1.171 589 M CA 0.044 55.421 55.300 0.129 0.000 1.069 589 M CB 1.169 33.826 32.600 0.094 0.000 1.622 589 M HN 0.924 nan 8.290 nan 0.000 0.459 590 G N 1.595 110.345 108.800 -0.082 0.000 2.574 590 G HA2 -0.334 4.178 3.960 0.920 0.000 0.220 590 G HA3 -0.334 4.178 3.960 0.920 0.000 0.220 590 G C 1.142 175.873 174.900 -0.281 0.000 1.173 590 G CA 1.898 46.867 45.100 -0.219 0.000 0.772 590 G HN 0.879 nan 8.290 nan 0.000 0.585 591 T N -0.636 113.791 114.554 -0.212 0.000 2.849 591 T HA -0.069 4.833 4.350 0.920 0.000 0.270 591 T C 1.923 176.449 174.700 -0.290 0.000 1.066 591 T CA 1.692 63.626 62.100 -0.277 0.000 1.130 591 T CB -0.323 68.353 68.868 -0.320 0.000 0.864 591 T HN 0.564 nan 8.240 nan 0.000 0.481 592 E N 1.025 121.072 120.200 -0.255 0.000 2.058 592 E HA -0.089 4.813 4.350 0.920 0.000 0.194 592 E C 2.114 178.421 176.600 -0.489 0.000 0.997 592 E CA 1.603 57.857 56.400 -0.242 0.000 0.801 592 E CB -0.347 29.346 29.700 -0.011 0.000 0.746 592 E HN 0.607 nan 8.360 nan 0.000 0.450 593 I N 0.170 120.260 120.570 -0.799 0.000 2.296 593 I HA -0.056 4.666 4.170 0.920 0.000 0.242 593 I C 2.608 178.100 176.117 -1.042 0.000 1.087 593 I CA 0.931 61.484 61.300 -1.246 0.000 1.393 593 I CB -0.529 36.551 38.000 -1.533 0.000 1.093 593 I HN 0.107 nan 8.210 nan 0.000 0.421 594 G N 0.707 109.099 108.800 -0.680 0.000 2.402 594 G HA2 -0.126 4.386 3.960 0.920 0.000 0.216 594 G HA3 -0.126 4.386 3.960 0.920 0.000 0.216 594 G C 1.635 176.420 174.900 -0.191 0.000 1.162 594 G CA 1.001 45.880 45.100 -0.369 0.000 0.777 594 G HN 0.220 nan 8.290 nan 0.000 0.539 595 V N 0.216 119.991 119.914 -0.231 0.000 2.436 595 V HA 0.066 4.738 4.120 0.920 0.000 0.240 595 V C 2.827 178.842 176.094 -0.132 0.000 1.040 595 V CA 1.037 63.245 62.300 -0.154 0.000 1.052 595 V CB -0.255 31.455 31.823 -0.189 0.000 0.707 595 V HN 0.123 nan 8.190 nan 0.000 0.469 596 R N 0.952 121.341 120.500 -0.185 0.000 2.048 596 R HA 0.051 4.942 4.340 0.920 0.000 0.224 596 R C 2.057 178.304 176.300 -0.088 0.000 1.163 596 R CA 1.158 57.181 56.100 -0.128 0.000 0.956 596 R CB -1.336 28.884 30.300 -0.133 0.000 0.849 596 R HN 0.461 nan 8.270 nan 0.000 0.435 597 N N 0.607 119.172 118.700 -0.224 0.000 2.223 597 N HA -0.149 5.143 4.740 0.920 0.000 0.185 597 N C 1.815 177.396 175.510 0.118 0.000 1.016 597 N CA 1.229 54.171 53.050 -0.180 0.000 0.863 597 N CB -0.248 37.769 38.487 -0.783 0.000 0.983 597 N HN 0.452 nan 8.380 nan 0.000 0.429 598 Y N -1.110 119.123 120.300 -0.111 0.000 2.503 598 Y HA 0.090 5.192 4.550 0.919 0.000 0.277 598 Y C 1.795 177.740 175.900 0.076 0.000 1.102 598 Y CA -0.047 58.063 58.100 0.018 0.000 1.261 598 Y CB 0.465 38.912 38.460 -0.021 0.000 1.096 598 Y HN 0.069 nan 8.280 nan 0.000 0.546 599 C N -1.130 118.277 119.300 0.180 0.000 3.097 599 C HA 0.147 5.159 4.460 0.920 0.000 0.335 599 C C 0.200 175.234 174.990 0.074 0.000 1.283 599 C CA -0.574 58.514 59.018 0.116 0.000 1.778 599 C CB -0.469 27.315 27.740 0.074 0.000 2.365 599 C HN 0.230 nan 8.230 nan 0.000 0.627 600 D N 2.154 122.587 120.400 0.056 0.000 2.583 600 D HA -0.059 5.133 4.640 0.920 0.000 0.232 600 D C 1.173 177.508 176.300 0.058 0.000 1.128 600 D CA 0.457 54.480 54.000 0.039 0.000 0.859 600 D CB 0.249 41.069 40.800 0.033 0.000 1.169 600 D HN 0.276 nan 8.370 nan 0.000 0.481 601 N N 1.469 120.194 118.700 0.041 0.000 2.137 601 N HA -0.224 5.068 4.740 0.920 0.000 0.190 601 N C 1.348 176.881 175.510 0.039 0.000 1.017 601 N CA 1.508 54.584 53.050 0.043 0.000 0.859 601 N CB 0.122 38.628 38.487 0.032 0.000 1.002 601 N HN 0.394 nan 8.380 nan 0.000 0.428 602 S N -0.468 115.253 115.700 0.036 0.000 2.562 602 S HA 0.132 5.154 4.470 0.920 0.000 0.221 602 S C 1.266 175.885 174.600 0.032 0.000 0.975 602 S CA -0.269 57.950 58.200 0.031 0.000 0.918 602 S CB 0.362 63.582 63.200 0.033 0.000 0.772 602 S HN 0.133 nan 8.310 nan 0.000 0.531 603 R N 0.227 120.761 120.500 0.057 0.000 2.138 603 R HA 0.365 5.257 4.340 0.920 0.000 0.129 603 R C 1.008 177.339 176.300 0.052 0.000 1.410 603 R CA -0.226 55.923 56.100 0.082 0.000 1.523 603 R CB -1.168 29.242 30.300 0.182 0.000 1.468 603 R HN 0.342 nan 8.270 nan 0.000 0.550 604 Y N 1.334 121.742 120.300 0.179 0.000 2.516 604 Y HA 0.033 5.133 4.550 0.918 0.000 0.291 604 Y C 0.575 176.538 175.900 0.105 0.000 1.131 604 Y CA 0.789 58.989 58.100 0.167 0.000 1.281 604 Y CB -0.130 38.489 38.460 0.265 0.000 1.013 604 Y HN 0.523 nan 8.280 nan 0.000 0.554 605 N N 1.144 119.975 118.700 0.217 0.000 2.667 605 N HA -0.219 5.073 4.740 0.920 0.000 0.263 605 N C 0.354 175.942 175.510 0.130 0.000 1.038 605 N CA 0.440 53.574 53.050 0.141 0.000 0.749 605 N CB -1.004 37.539 38.487 0.092 0.000 0.892 605 N HN 0.636 nan 8.380 nan 0.000 0.546 606 I N -2.446 118.207 120.570 0.138 0.000 4.018 606 I HA 0.120 4.842 4.170 0.920 0.000 0.337 606 I C 1.702 177.892 176.117 0.122 0.000 1.327 606 I CA -0.528 60.831 61.300 0.097 0.000 1.100 606 I CB 0.030 38.045 38.000 0.026 0.000 1.025 606 I HN 0.176 nan 8.210 nan 0.000 0.396 607 L N 1.172 122.489 121.223 0.157 0.000 1.971 607 L HA -0.195 4.696 4.340 0.920 0.000 0.215 607 L C 2.690 179.726 176.870 0.276 0.000 1.072 607 L CA 1.952 56.920 54.840 0.214 0.000 0.758 607 L CB -0.589 41.579 42.059 0.182 0.000 0.889 607 L HN 0.364 nan 8.230 nan 0.000 0.433 608 E N -0.151 120.202 120.200 0.254 0.000 2.086 608 E HA -0.300 4.602 4.350 0.920 0.000 0.200 608 E C 2.052 178.678 176.600 0.042 0.000 1.012 608 E CA 1.907 58.402 56.400 0.158 0.000 0.812 608 E CB -0.117 29.636 29.700 0.089 0.000 0.743 608 E HN 0.544 nan 8.360 nan 0.000 0.453 609 E N -0.037 120.183 120.200 0.033 0.000 2.077 609 E HA -0.167 4.735 4.350 0.920 0.000 0.193 609 E C 2.216 178.787 176.600 -0.049 0.000 0.989 609 E CA 1.235 57.618 56.400 -0.029 0.000 0.800 609 E CB 0.063 29.746 29.700 -0.029 0.000 0.746 609 E HN 0.083 nan 8.360 nan 0.000 0.452 610 V N 1.221 121.160 119.914 0.042 0.000 2.323 610 V HA -0.222 4.449 4.120 0.920 0.000 0.244 610 V C 2.322 178.455 176.094 0.065 0.000 1.041 610 V CA 1.684 64.052 62.300 0.113 0.000 1.025 610 V CB -0.694 31.300 31.823 0.285 0.000 0.656 610 V HN 0.307 nan 8.190 nan 0.000 0.451 611 A N -0.214 122.676 122.820 0.117 0.000 1.908 611 A HA -0.279 4.593 4.320 0.920 0.000 0.218 611 A C 2.279 179.795 177.584 -0.114 0.000 1.181 611 A CA 2.138 54.230 52.037 0.093 0.000 0.627 611 A CB -0.499 18.643 19.000 0.237 0.000 0.818 611 A HN 0.530 nan 8.150 nan 0.000 0.445 612 K N -0.597 119.694 120.400 -0.182 0.000 2.209 612 K HA -0.102 4.770 4.320 0.920 0.000 0.204 612 K C 1.693 178.080 176.600 -0.355 0.000 1.048 612 K CA 1.165 57.300 56.287 -0.253 0.000 0.940 612 K CB -0.000 32.367 32.500 -0.221 0.000 0.729 612 K HN 0.248 nan 8.250 nan 0.000 0.451 613 K N 0.099 120.202 120.400 -0.495 0.000 2.243 613 K HA 0.036 4.908 4.320 0.920 0.000 0.201 613 K C 1.744 177.749 176.600 -0.991 0.000 1.051 613 K CA 0.952 56.655 56.287 -0.972 0.000 0.970 613 K CB 0.080 31.604 32.500 -1.627 0.000 0.755 613 K HN 0.219 nan 8.250 nan 0.000 0.465 614 M N 0.386 119.660 119.600 -0.543 0.000 2.558 614 M HA -0.054 4.977 4.480 0.920 0.000 0.255 614 M C -0.327 175.851 176.300 -0.203 0.000 1.113 614 M CA 0.359 55.475 55.300 -0.306 0.000 1.097 614 M CB -0.151 32.412 32.600 -0.063 0.000 1.426 614 M HN 0.027 nan 8.290 nan 0.000 0.488 615 D N 1.519 121.781 120.400 -0.230 0.000 2.699 615 D HA -0.152 5.040 4.640 0.920 0.000 0.239 615 D C -1.055 175.183 176.300 -0.103 0.000 1.136 615 D CA 0.443 54.341 54.000 -0.170 0.000 0.668 615 D CB -0.999 39.708 40.800 -0.154 0.000 1.060 615 D HN 0.258 nan 8.370 nan 0.000 0.429 616 L N 0.085 121.253 121.223 -0.090 0.000 2.399 616 L HA 0.398 5.290 4.340 0.920 0.000 0.265 616 L C 0.945 177.748 176.870 -0.113 0.000 1.089 616 L CA -0.835 53.986 54.840 -0.032 0.000 0.802 616 L CB 0.737 42.845 42.059 0.082 0.000 1.180 616 L HN 0.020 nan 8.230 nan 0.000 0.454 617 D N 1.585 121.951 120.400 -0.057 0.000 2.359 617 D HA 0.148 5.340 4.640 0.920 0.000 0.250 617 D C 0.449 176.620 176.300 -0.214 0.000 1.264 617 D CA 0.254 54.194 54.000 -0.100 0.000 0.911 617 D CB 0.580 41.370 40.800 -0.016 0.000 1.056 617 D HN 0.367 nan 8.370 nan 0.000 0.499 618 M N 2.528 121.832 119.600 -0.493 0.000 2.505 618 M HA 0.158 5.190 4.480 0.920 0.000 0.230 618 M C 1.481 177.544 176.300 -0.396 0.000 1.153 618 M CA -0.025 54.670 55.300 -1.009 0.000 0.997 618 M CB 0.341 32.171 32.600 -1.283 0.000 1.606 618 M HN 0.273 nan 8.290 nan 0.000 0.481 619 R N 0.836 121.236 120.500 -0.167 0.000 2.189 619 R HA 0.061 4.952 4.340 0.920 0.000 0.218 619 R C 0.003 176.332 176.300 0.048 0.000 1.074 619 R CA 0.827 56.896 56.100 -0.052 0.000 0.991 619 R CB 0.070 30.345 30.300 -0.041 0.000 0.883 619 R HN 0.266 nan 8.270 nan 0.000 0.457 620 K N -0.857 119.622 120.400 0.132 0.000 2.523 620 K HA 0.129 5.001 4.320 0.920 0.000 0.257 620 K C 0.447 177.226 176.600 0.297 0.000 0.932 620 K CA -0.271 56.123 56.287 0.178 0.000 0.812 620 K CB 2.050 34.615 32.500 0.109 0.000 1.326 620 K HN -0.112 nan 8.250 nan 0.000 0.433 621 T N -2.410 112.273 114.554 0.215 0.000 2.803 621 T HA -0.191 4.711 4.350 0.920 0.000 0.269 621 T C 1.660 176.389 174.700 0.049 0.000 1.052 621 T CA 1.815 63.981 62.100 0.110 0.000 1.136 621 T CB -0.358 68.526 68.868 0.027 0.000 0.864 621 T HN 0.548 nan 8.240 nan 0.000 0.467 622 S N 1.953 117.698 115.700 0.075 0.000 2.595 622 S HA -0.020 5.002 4.470 0.920 0.000 0.235 622 S C 2.014 176.655 174.600 0.069 0.000 0.974 622 S CA 0.655 58.885 58.200 0.051 0.000 0.942 622 S CB -0.724 62.503 63.200 0.046 0.000 0.766 622 S HN 0.769 nan 8.310 nan 0.000 0.536 623 S N 1.535 117.312 115.700 0.129 0.000 2.558 623 S HA 0.254 5.276 4.470 0.920 0.000 0.217 623 S C 0.883 175.555 174.600 0.120 0.000 0.975 623 S CA -0.101 58.184 58.200 0.142 0.000 0.912 623 S CB -0.918 62.405 63.200 0.205 0.000 0.776 623 S HN 0.593 nan 8.310 nan 0.000 0.526 624 L N 0.897 122.143 121.223 0.040 0.000 3.717 624 L HA -0.177 4.715 4.340 0.920 0.000 0.414 624 L C 1.591 178.447 176.870 -0.024 0.000 1.228 624 L CA 0.723 55.529 54.840 -0.056 0.000 0.918 624 L CB -2.655 39.393 42.059 -0.020 0.000 1.865 624 L HN 0.740 nan 8.230 nan 0.000 0.922 625 W N 0.058 121.374 121.300 0.028 0.000 2.388 625 W HA -0.129 5.083 4.660 0.919 0.000 0.294 625 W C 1.761 178.305 176.519 0.041 0.000 1.212 625 W CA 1.225 58.589 57.345 0.032 0.000 1.271 625 W CB -0.657 28.814 29.460 0.019 0.000 1.126 625 W HN 0.246 nan 8.180 nan 0.000 0.535 626 K N 1.086 120.974 120.400 -0.853 0.000 2.032 626 K HA -0.190 4.682 4.320 0.920 0.000 0.209 626 K C 1.503 177.972 176.600 -0.219 0.000 1.048 626 K CA 2.534 58.415 56.287 -0.676 0.000 0.927 626 K CB -0.323 31.642 32.500 -0.893 0.000 0.712 626 K HN 0.063 nan 8.250 nan 0.000 0.441 627 D N 0.197 120.487 120.400 -0.183 0.000 2.183 627 D HA -0.121 5.071 4.640 0.920 0.000 0.203 627 D C 1.993 178.301 176.300 0.013 0.000 0.969 627 D CA 0.810 54.766 54.000 -0.073 0.000 0.842 627 D CB 0.067 40.827 40.800 -0.068 0.000 0.957 627 D HN 0.175 nan 8.370 nan 0.000 0.484 628 Q N 0.376 120.211 119.800 0.058 0.000 2.016 628 Q HA -0.065 4.827 4.340 0.920 0.000 0.200 628 Q C 2.368 178.468 176.000 0.167 0.000 0.978 628 Q CA 1.377 57.254 55.803 0.124 0.000 0.833 628 Q CB -0.286 28.551 28.738 0.164 0.000 0.895 628 Q HN 0.322 nan 8.270 nan 0.000 0.427 629 A N 1.044 123.984 122.820 0.200 0.000 1.972 629 A HA -0.168 4.703 4.320 0.920 0.000 0.219 629 A C 2.089 179.795 177.584 0.205 0.000 1.169 629 A CA 1.049 53.235 52.037 0.249 0.000 0.635 629 A CB -0.580 18.595 19.000 0.292 0.000 0.810 629 A HN 0.314 nan 8.150 nan 0.000 0.446 630 L N -0.071 121.225 121.223 0.122 0.000 2.012 630 L HA -0.129 4.763 4.340 0.920 0.000 0.210 630 L C 2.399 179.321 176.870 0.086 0.000 1.073 630 L CA 1.986 56.875 54.840 0.081 0.000 0.748 630 L CB -0.575 41.488 42.059 0.008 0.000 0.891 630 L HN 0.158 nan 8.230 nan 0.000 0.431 631 V N -0.047 119.919 119.914 0.088 0.000 2.343 631 V HA -0.231 4.441 4.120 0.920 0.000 0.247 631 V C 2.600 178.761 176.094 0.113 0.000 1.051 631 V CA 1.894 64.246 62.300 0.086 0.000 1.036 631 V CB -0.697 31.177 31.823 0.085 0.000 0.654 631 V HN 0.487 nan 8.190 nan 0.000 0.451 632 E N -0.154 120.150 120.200 0.173 0.000 2.150 632 E HA -0.113 4.789 4.350 0.920 0.000 0.193 632 E C 2.158 178.862 176.600 0.175 0.000 0.985 632 E CA 1.069 57.603 56.400 0.224 0.000 0.814 632 E CB -0.242 29.642 29.700 0.307 0.000 0.752 632 E HN 0.569 nan 8.360 nan 0.000 0.466 633 I N 1.853 122.559 120.570 0.226 0.000 2.361 633 I HA -0.245 4.477 4.170 0.920 0.000 0.251 633 I C 2.025 178.232 176.117 0.149 0.000 1.133 633 I CA 0.875 62.346 61.300 0.287 0.000 1.413 633 I CB -0.214 38.008 38.000 0.370 0.000 1.073 633 I HN 0.059 nan 8.210 nan 0.000 0.424 634 N N 0.427 119.172 118.700 0.074 0.000 2.416 634 N HA 0.042 5.333 4.740 0.920 0.000 0.177 634 N C 1.939 177.441 175.510 -0.013 0.000 1.036 634 N CA 0.893 53.945 53.050 0.003 0.000 0.901 634 N CB 0.278 38.752 38.487 -0.021 0.000 0.976 634 N HN 0.349 nan 8.380 nan 0.000 0.444 635 I N 1.246 121.800 120.570 -0.026 0.000 2.315 635 I HA -0.184 4.538 4.170 0.920 0.000 0.248 635 I C 2.397 178.416 176.117 -0.163 0.000 1.117 635 I CA 0.661 61.892 61.300 -0.114 0.000 1.404 635 I CB -0.083 37.791 38.000 -0.211 0.000 1.071 635 I HN 0.040 nan 8.210 nan 0.000 0.419 636 A N 0.213 122.926 122.820 -0.178 0.000 1.897 636 A HA -0.110 4.762 4.320 0.920 0.000 0.215 636 A C 2.402 180.011 177.584 0.043 0.000 1.181 636 A CA 1.335 53.266 52.037 -0.176 0.000 0.620 636 A CB -0.860 17.857 19.000 -0.471 0.000 0.821 636 A HN 0.194 nan 8.150 nan 0.000 0.443 637 V N 0.392 120.338 119.914 0.054 0.000 2.233 637 V HA -0.311 4.360 4.120 0.920 0.000 0.247 637 V C 2.599 178.709 176.094 0.027 0.000 1.050 637 V CA 2.205 64.528 62.300 0.038 0.000 1.010 637 V CB -0.942 30.789 31.823 -0.154 0.000 0.637 637 V HN 0.582 nan 8.190 nan 0.000 0.444 638 L N -1.258 119.948 121.223 -0.028 0.000 2.043 638 L HA -0.258 4.634 4.340 0.920 0.000 0.212 638 L C 2.517 179.438 176.870 0.085 0.000 1.075 638 L CA 2.298 57.139 54.840 0.000 0.000 0.752 638 L CB -0.724 41.334 42.059 -0.001 0.000 0.891 638 L HN 0.476 nan 8.230 nan 0.000 0.432 639 Y N 0.249 120.520 120.300 -0.048 0.000 2.200 639 Y HA -0.209 4.893 4.550 0.920 0.000 0.290 639 Y C 2.729 178.634 175.900 0.007 0.000 1.137 639 Y CA 1.585 59.648 58.100 -0.062 0.000 1.163 639 Y CB -0.194 38.162 38.460 -0.172 0.000 0.988 639 Y HN 0.052 nan 8.280 nan 0.000 0.518 640 S N 0.299 115.989 115.700 -0.017 0.000 2.356 640 S HA -0.165 4.857 4.470 0.920 0.000 0.223 640 S C 1.760 176.347 174.600 -0.023 0.000 1.032 640 S CA 1.566 59.734 58.200 -0.052 0.000 1.005 640 S CB -0.753 62.532 63.200 0.140 0.000 0.867 640 S HN 0.441 nan 8.310 nan 0.000 0.449 641 F N 2.017 121.913 119.950 -0.089 0.000 2.102 641 F HA -0.140 4.939 4.527 0.919 0.000 0.298 641 F C 2.667 178.406 175.800 -0.101 0.000 1.105 641 F CA 1.254 59.218 58.000 -0.060 0.000 1.239 641 F CB -0.803 38.188 39.000 -0.015 0.000 0.991 641 F HN 0.221 nan 8.300 nan 0.000 0.474 642 Q N -0.723 119.112 119.800 0.058 0.000 2.084 642 Q HA -0.163 4.729 4.340 0.920 0.000 0.202 642 Q C 2.313 178.230 176.000 -0.140 0.000 0.978 642 Q CA 1.827 57.605 55.803 -0.042 0.000 0.844 642 Q CB -0.457 28.260 28.738 -0.036 0.000 0.898 642 Q HN 0.236 nan 8.270 nan 0.000 0.426 643 S N 0.880 116.411 115.700 -0.282 0.000 2.419 643 S HA -0.110 4.912 4.470 0.920 0.000 0.233 643 S C 0.786 175.271 174.600 -0.192 0.000 1.016 643 S CA 1.145 59.157 58.200 -0.314 0.000 0.974 643 S CB -0.029 62.840 63.200 -0.551 0.000 0.786 643 S HN 0.333 nan 8.310 nan 0.000 0.492 644 D N 0.376 120.672 120.400 -0.172 0.000 2.369 644 D HA 0.174 5.365 4.640 0.920 0.000 0.211 644 D C 0.110 176.340 176.300 -0.118 0.000 1.077 644 D CA 0.095 54.009 54.000 -0.144 0.000 0.842 644 D CB 0.122 40.816 40.800 -0.177 0.000 0.947 644 D HN 0.259 nan 8.370 nan 0.000 0.509 645 K N -0.361 119.980 120.400 -0.098 0.000 3.117 645 K HA -0.131 4.741 4.320 0.920 0.000 0.269 645 K C -0.627 175.934 176.600 -0.065 0.000 1.098 645 K CA 0.104 56.348 56.287 -0.073 0.000 0.785 645 K CB -1.692 30.766 32.500 -0.069 0.000 1.242 645 K HN 0.025 nan 8.250 nan 0.000 0.491 646 V N 1.562 121.440 119.914 -0.060 0.000 2.407 646 V HA 0.103 4.775 4.120 0.920 0.000 0.278 646 V C 0.924 177.077 176.094 0.099 0.000 1.037 646 V CA -0.534 61.754 62.300 -0.020 0.000 0.900 646 V CB 1.636 33.354 31.823 -0.175 0.000 0.983 646 V HN 0.218 nan 8.190 nan 0.000 0.459 647 T N 6.833 121.402 114.554 0.024 0.000 2.866 647 T HA 0.329 5.231 4.350 0.920 0.000 0.293 647 T C -0.232 174.519 174.700 0.084 0.000 1.005 647 T CA 0.819 62.861 62.100 -0.097 0.000 1.162 647 T CB -0.025 68.593 68.868 -0.416 0.000 0.968 647 T HN 0.583 nan 8.240 nan 0.000 0.530 648 I N 2.871 123.458 120.570 0.028 0.000 2.775 648 I HA 0.626 5.348 4.170 0.920 0.000 0.295 648 I C -1.346 174.804 176.117 0.054 0.000 1.287 648 I CA -1.002 60.349 61.300 0.086 0.000 1.029 648 I CB 1.882 39.862 38.000 -0.033 0.000 1.282 648 I HN 0.436 nan 8.210 nan 0.000 0.426 649 V N 5.835 125.847 119.914 0.163 0.000 2.628 649 V HA 0.507 5.179 4.120 0.920 0.000 0.306 649 V C -0.973 175.183 176.094 0.104 0.000 1.045 649 V CA -0.239 62.153 62.300 0.153 0.000 0.905 649 V CB 2.183 34.180 31.823 0.290 0.000 0.997 649 V HN 0.894 nan 8.190 nan 0.000 0.436 650 D N 3.590 124.032 120.400 0.069 0.000 2.348 650 D HA 0.206 5.398 4.640 0.920 0.000 0.249 650 D C 1.143 177.454 176.300 0.018 0.000 1.110 650 D CA 0.058 54.089 54.000 0.052 0.000 0.967 650 D CB 0.527 41.339 40.800 0.019 0.000 1.139 650 D HN 0.717 nan 8.370 nan 0.000 0.466 651 H N -0.234 118.777 119.070 -0.099 0.000 2.495 651 H HA -0.088 5.020 4.556 0.919 0.000 0.287 651 H C 0.867 176.082 175.328 -0.189 0.000 1.033 651 H CA 1.064 57.013 56.048 -0.165 0.000 1.307 651 H CB -0.478 29.137 29.762 -0.245 0.000 1.401 651 H HN 0.518 nan 8.280 nan 0.000 0.555 652 H N 0.583 119.428 119.070 -0.374 0.000 2.363 652 H HA -0.053 5.055 4.556 0.920 0.000 0.301 652 H C 2.341 177.639 175.328 -0.051 0.000 1.074 652 H CA 1.445 57.377 56.048 -0.193 0.000 1.354 652 H CB 0.106 29.732 29.762 -0.227 0.000 1.397 652 H HN 0.437 nan 8.280 nan 0.000 0.516 653 S N 0.571 116.315 115.700 0.073 0.000 2.388 653 S HA 0.004 5.025 4.470 0.920 0.000 0.223 653 S C 2.441 177.107 174.600 0.110 0.000 1.034 653 S CA 0.822 59.074 58.200 0.087 0.000 0.963 653 S CB -0.213 63.031 63.200 0.074 0.000 0.827 653 S HN 0.402 nan 8.310 nan 0.000 0.481 654 A N 1.382 124.268 122.820 0.109 0.000 1.892 654 A HA -0.133 4.739 4.320 0.920 0.000 0.218 654 A C 2.529 180.204 177.584 0.151 0.000 1.188 654 A CA 2.765 54.884 52.037 0.137 0.000 0.631 654 A CB -1.872 17.199 19.000 0.118 0.000 0.822 654 A HN 0.812 nan 8.150 nan 0.000 0.447 655 T N -2.592 112.034 114.554 0.121 0.000 2.857 655 T HA -0.110 4.792 4.350 0.920 0.000 0.266 655 T C 1.762 176.582 174.700 0.201 0.000 1.048 655 T CA 1.335 63.530 62.100 0.159 0.000 1.139 655 T CB -0.370 68.559 68.868 0.101 0.000 0.874 655 T HN 0.566 nan 8.240 nan 0.000 0.455 656 E N 1.151 121.443 120.200 0.153 0.000 2.070 656 E HA -0.173 4.729 4.350 0.920 0.000 0.197 656 E C 2.405 179.091 176.600 0.143 0.000 1.004 656 E CA 1.551 58.032 56.400 0.136 0.000 0.805 656 E CB -0.259 29.504 29.700 0.105 0.000 0.744 656 E HN 0.549 nan 8.360 nan 0.000 0.451 657 S N 0.038 115.831 115.700 0.156 0.000 2.368 657 S HA -0.148 4.873 4.470 0.920 0.000 0.225 657 S C 1.508 176.225 174.600 0.195 0.000 1.030 657 S CA 1.048 59.342 58.200 0.155 0.000 0.999 657 S CB -0.393 62.901 63.200 0.156 0.000 0.844 657 S HN 0.355 nan 8.310 nan 0.000 0.459 658 F N 2.341 122.353 119.950 0.105 0.000 2.146 658 F HA -0.073 5.006 4.527 0.920 0.000 0.298 658 F C 1.833 177.723 175.800 0.151 0.000 1.096 658 F CA 0.959 59.040 58.000 0.135 0.000 1.275 658 F CB -0.227 38.836 39.000 0.104 0.000 1.008 658 F HN 0.081 nan 8.300 nan 0.000 0.480 659 I N 0.816 121.488 120.570 0.169 0.000 2.208 659 I HA -0.320 4.402 4.170 0.920 0.000 0.245 659 I C 2.452 178.550 176.117 -0.032 0.000 1.097 659 I CA 1.531 62.866 61.300 0.058 0.000 1.363 659 I CB -1.393 36.680 38.000 0.121 0.000 1.051 659 I HN 0.230 nan 8.210 nan 0.000 0.413 660 K N -0.052 120.358 120.400 0.016 0.000 2.097 660 K HA -0.254 4.618 4.320 0.920 0.000 0.206 660 K C 2.294 178.887 176.600 -0.011 0.000 1.049 660 K CA 1.581 57.875 56.287 0.011 0.000 0.933 660 K CB -0.163 32.364 32.500 0.045 0.000 0.717 660 K HN 0.349 nan 8.250 nan 0.000 0.442 661 H N 0.368 119.355 119.070 -0.137 0.000 2.333 661 H HA -0.010 5.098 4.556 0.920 0.000 0.302 661 H C 2.134 177.320 175.328 -0.235 0.000 1.075 661 H CA 2.013 57.960 56.048 -0.169 0.000 1.348 661 H CB -0.099 29.550 29.762 -0.188 0.000 1.393 661 H HN 0.073 nan 8.280 nan 0.000 0.509 662 M N 0.362 119.655 119.600 -0.512 0.000 2.088 662 M HA -0.247 4.785 4.480 0.920 0.000 0.256 662 M C 2.085 178.319 176.300 -0.110 0.000 1.071 662 M CA 2.396 57.469 55.300 -0.377 0.000 1.097 662 M CB -0.120 32.287 32.600 -0.321 0.000 1.315 662 M HN 0.505 nan 8.290 nan 0.000 0.406 663 E N -0.226 119.911 120.200 -0.105 0.000 2.058 663 E HA -0.227 4.675 4.350 0.920 0.000 0.194 663 E C 1.689 178.273 176.600 -0.027 0.000 0.997 663 E CA 1.340 57.712 56.400 -0.046 0.000 0.801 663 E CB -0.443 29.227 29.700 -0.051 0.000 0.746 663 E HN 0.559 nan 8.360 nan 0.000 0.450 664 N N 0.994 119.646 118.700 -0.079 0.000 2.069 664 N HA -0.170 5.122 4.740 0.920 0.000 0.191 664 N C 1.692 177.133 175.510 -0.115 0.000 1.031 664 N CA 1.033 54.036 53.050 -0.079 0.000 0.852 664 N CB -0.211 38.239 38.487 -0.062 0.000 1.018 664 N HN 0.216 nan 8.380 nan 0.000 0.423 665 E N -0.004 120.053 120.200 -0.238 0.000 2.110 665 E HA -0.135 4.767 4.350 0.920 0.000 0.193 665 E C 1.838 178.313 176.600 -0.207 0.000 0.988 665 E CA 0.727 56.961 56.400 -0.277 0.000 0.804 665 E CB -0.362 29.067 29.700 -0.452 0.000 0.745 665 E HN 0.519 nan 8.360 nan 0.000 0.458 666 Y N 0.712 120.917 120.300 -0.159 0.000 2.293 666 Y HA -0.079 5.023 4.550 0.920 0.000 0.291 666 Y C 2.619 178.464 175.900 -0.092 0.000 1.137 666 Y CA 1.132 59.167 58.100 -0.107 0.000 1.202 666 Y CB -0.056 38.350 38.460 -0.090 0.000 0.990 666 Y HN -0.069 nan 8.280 nan 0.000 0.537 667 R N -1.499 119.027 120.500 0.043 0.000 2.093 667 R HA -0.063 4.829 4.340 0.920 0.000 0.224 667 R C 1.527 177.813 176.300 -0.024 0.000 1.101 667 R CA 1.529 57.634 56.100 0.009 0.000 0.979 667 R CB -0.270 30.031 30.300 0.002 0.000 0.877 667 R HN 0.312 nan 8.270 nan 0.000 0.441 668 C N -1.770 117.504 119.300 -0.044 0.000 2.820 668 C HA 0.332 5.344 4.460 0.920 0.000 0.323 668 C C 2.125 177.077 174.990 -0.063 0.000 1.279 668 C CA -0.309 58.684 59.018 -0.041 0.000 1.790 668 C CB -0.030 27.698 27.740 -0.019 0.000 2.328 668 C HN 0.447 nan 8.230 nan 0.000 0.579 669 R N 0.011 120.446 120.500 -0.109 0.000 2.394 669 R HA 0.250 5.142 4.340 0.920 0.000 0.220 669 R C 1.352 177.547 176.300 -0.174 0.000 0.887 669 R CA 0.961 56.981 56.100 -0.134 0.000 1.034 669 R CB 0.479 30.678 30.300 -0.168 0.000 1.179 669 R HN 0.440 nan 8.270 nan 0.000 0.561 670 G N 0.049 108.726 108.800 -0.204 0.000 2.132 670 G HA2 -0.147 4.364 3.960 0.920 0.000 0.234 670 G HA3 -0.147 4.364 3.960 0.920 0.000 0.234 670 G C 0.130 174.766 174.900 -0.442 0.000 0.989 670 G CA 0.082 45.035 45.100 -0.246 0.000 0.676 670 G HN 0.810 nan 8.290 nan 0.000 0.522 671 G N -2.343 106.024 108.800 -0.721 0.000 2.356 671 G HA2 0.530 5.042 3.960 0.920 0.000 0.300 671 G HA3 0.530 5.042 3.960 0.920 0.000 0.300 671 G C -0.825 173.631 174.900 -0.740 0.000 1.331 671 G CA 0.439 44.781 45.100 -1.263 0.000 0.905 671 G HN 1.941 nan 8.290 nan 0.000 0.587 672 C N 2.048 121.044 119.300 -0.507 0.000 2.833 672 C HA 0.717 5.728 4.460 0.920 0.000 0.383 672 C C -2.585 172.321 174.990 -0.140 0.000 1.058 672 C CA -1.099 57.788 59.018 -0.218 0.000 1.259 672 C CB 1.109 28.750 27.740 -0.165 0.000 1.726 672 C HN 0.723 nan 8.230 nan 0.000 0.484 673 P HA 0.465 nan 4.420 nan 0.000 0.276 673 P C -0.758 176.443 177.300 -0.165 0.000 1.230 673 P CA 0.409 63.129 63.100 -0.635 0.000 0.776 673 P CB 1.267 32.397 31.700 -0.951 0.000 0.888 674 A N 2.182 124.970 122.820 -0.054 0.000 2.488 674 A HA 0.380 5.252 4.320 0.920 0.000 0.295 674 A C -1.114 176.521 177.584 0.086 0.000 1.045 674 A CA -0.518 51.581 52.037 0.102 0.000 0.703 674 A CB 1.134 20.316 19.000 0.304 0.000 1.271 674 A HN 0.430 nan 8.150 nan 0.000 0.400 675 D N 2.257 122.691 120.400 0.058 0.000 2.485 675 D HA 0.122 5.314 4.640 0.920 0.000 0.221 675 D C 0.901 177.340 176.300 0.230 0.000 1.112 675 D CA -0.477 53.589 54.000 0.109 0.000 0.911 675 D CB 0.171 40.963 40.800 -0.014 0.000 1.019 675 D HN 0.641 nan 8.370 nan 0.000 0.516 676 W N 3.798 125.133 121.300 0.058 0.000 2.305 676 W HA -0.289 4.923 4.660 0.920 0.000 0.308 676 W C 1.550 178.112 176.519 0.073 0.000 1.226 676 W CA 1.122 58.494 57.345 0.044 0.000 1.253 676 W CB 0.107 29.573 29.460 0.011 0.000 1.146 676 W HN 0.249 nan 8.180 nan 0.000 0.507 677 V N -0.267 119.999 119.914 0.587 0.000 2.453 677 V HA -0.315 4.357 4.120 0.920 0.000 0.252 677 V C 1.441 177.668 176.094 0.221 0.000 1.068 677 V CA 2.138 64.718 62.300 0.468 0.000 1.070 677 V CB -0.845 31.253 31.823 0.458 0.000 0.664 677 V HN 0.346 nan 8.190 nan 0.000 0.461 678 W N -1.812 119.479 121.300 -0.015 0.000 2.808 678 W HA 0.286 5.496 4.660 0.918 0.000 0.266 678 W C 2.112 178.535 176.519 -0.161 0.000 1.247 678 W CA -0.244 57.059 57.345 -0.070 0.000 1.440 678 W CB -0.119 29.317 29.460 -0.040 0.000 1.040 678 W HN 0.060 nan 8.180 nan 0.000 0.606 679 I N 0.070 120.634 120.570 -0.011 0.000 2.286 679 I HA -0.082 4.640 4.170 0.920 0.000 0.245 679 I C 0.671 176.612 176.117 -0.293 0.000 1.104 679 I CA 0.834 62.000 61.300 -0.224 0.000 1.397 679 I CB -1.535 36.246 38.000 -0.364 0.000 1.072 679 I HN -0.414 nan 8.210 nan 0.000 0.417 680 V N 4.211 123.862 119.914 -0.440 0.000 2.485 680 V HA 0.049 4.721 4.120 0.920 0.000 0.287 680 V C -1.893 174.033 176.094 -0.280 0.000 1.022 680 V CA -0.983 61.036 62.300 -0.468 0.000 1.067 680 V CB -0.190 31.103 31.823 -0.883 0.000 0.967 680 V HN 0.130 nan 8.190 nan 0.000 0.479 681 P HA 0.114 nan 4.420 nan 0.000 0.267 681 P C -1.905 175.272 177.300 -0.204 0.000 1.200 681 P CA -1.081 61.905 63.100 -0.189 0.000 0.772 681 P CB 0.037 31.637 31.700 -0.168 0.000 0.855 682 P HA 0.005 nan 4.420 nan 0.000 0.237 682 P C 0.185 177.375 177.300 -0.182 0.000 1.178 682 P CA 1.180 64.166 63.100 -0.190 0.000 0.766 682 P CB 0.021 31.605 31.700 -0.194 0.000 0.876 683 M N -4.449 115.006 119.600 -0.241 0.000 2.591 683 M HA 0.582 5.614 4.480 0.920 0.000 0.306 683 M C -0.090 176.103 176.300 -0.177 0.000 1.190 683 M CA -0.636 54.539 55.300 -0.208 0.000 0.889 683 M CB 2.102 34.556 32.600 -0.243 0.000 1.728 683 M HN -0.367 nan 8.290 nan 0.000 0.458 684 S N 0.550 116.194 115.700 -0.094 0.000 3.521 684 S HA -0.177 4.845 4.470 0.920 0.000 0.328 684 S C 1.127 175.695 174.600 -0.054 0.000 1.165 684 S CA 0.830 59.010 58.200 -0.033 0.000 0.941 684 S CB -2.073 61.175 63.200 0.081 0.000 0.951 684 S HN 1.238 nan 8.310 nan 0.000 0.539 685 G N 2.247 110.991 108.800 -0.095 0.000 2.732 685 G HA2 -0.383 4.129 3.960 0.920 0.000 0.222 685 G HA3 -0.383 4.129 3.960 0.920 0.000 0.222 685 G C 1.427 176.194 174.900 -0.221 0.000 1.203 685 G CA 1.813 46.862 45.100 -0.085 0.000 0.780 685 G HN 1.396 nan 8.290 nan 0.000 0.621 686 S N 0.597 115.890 115.700 -0.678 0.000 2.607 686 S HA 0.090 5.112 4.470 0.920 0.000 0.224 686 S C 2.097 176.614 174.600 -0.139 0.000 0.969 686 S CA 0.928 58.519 58.200 -1.017 0.000 0.927 686 S CB -0.354 62.013 63.200 -1.389 0.000 0.772 686 S HN 0.800 nan 8.310 nan 0.000 0.533 687 I N 0.290 120.841 120.570 -0.031 0.000 3.793 687 I HA 0.231 4.953 4.170 0.920 0.000 0.315 687 I C 0.510 176.739 176.117 0.187 0.000 1.275 687 I CA -0.238 61.125 61.300 0.105 0.000 1.214 687 I CB -0.466 37.599 38.000 0.108 0.000 1.018 687 I HN 0.194 nan 8.210 nan 0.000 0.439 688 T N -1.213 113.444 114.554 0.171 0.000 2.907 688 T HA 0.441 5.343 4.350 0.920 0.000 0.284 688 T C -1.605 173.257 174.700 0.269 0.000 1.004 688 T CA -1.855 60.356 62.100 0.185 0.000 1.063 688 T CB 1.463 70.388 68.868 0.094 0.000 0.992 688 T HN -0.089 nan 8.240 nan 0.000 0.483 689 P HA -0.066 nan 4.420 nan 0.000 0.219 689 P C 1.929 179.433 177.300 0.341 0.000 1.150 689 P CA 0.916 64.199 63.100 0.306 0.000 0.814 689 P CB -0.457 31.365 31.700 0.204 0.000 0.787 690 V N -2.780 117.276 119.914 0.237 0.000 2.380 690 V HA -0.272 4.400 4.120 0.920 0.000 0.251 690 V C 2.331 178.493 176.094 0.114 0.000 1.063 690 V CA 1.679 64.077 62.300 0.163 0.000 1.055 690 V CB -2.355 29.483 31.823 0.024 0.000 0.657 690 V HN -0.078 nan 8.190 nan 0.000 0.455 691 F N 1.937 121.859 119.950 -0.045 0.000 2.120 691 F HA -0.232 4.846 4.527 0.919 0.000 0.300 691 F C 2.504 178.416 175.800 0.185 0.000 1.095 691 F CA 2.475 60.446 58.000 -0.048 0.000 1.249 691 F CB -0.393 38.510 39.000 -0.162 0.000 0.995 691 F HN 0.286 nan 8.300 nan 0.000 0.480 692 H N -1.159 118.210 119.070 0.499 0.000 2.547 692 H HA 0.064 5.172 4.556 0.920 0.000 0.266 692 H C 0.398 175.949 175.328 0.371 0.000 0.988 692 H CA 0.289 56.592 56.048 0.425 0.000 1.147 692 H CB -0.166 29.844 29.762 0.413 0.000 1.365 692 H HN 0.237 nan 8.280 nan 0.000 0.589 693 Q N 2.196 122.247 119.800 0.419 0.000 2.377 693 Q HA 0.110 5.002 4.340 0.920 0.000 0.249 693 Q C -0.516 175.702 176.000 0.363 0.000 1.005 693 Q CA -0.238 55.766 55.803 0.335 0.000 0.912 693 Q CB 0.320 29.234 28.738 0.293 0.000 1.223 693 Q HN 0.256 nan 8.270 nan 0.000 0.459 694 E N 3.416 123.782 120.200 0.277 0.000 2.452 694 E HA 0.072 4.974 4.350 0.920 0.000 0.261 694 E C -0.454 176.272 176.600 0.211 0.000 0.987 694 E CA 0.650 57.176 56.400 0.210 0.000 0.926 694 E CB 0.586 30.387 29.700 0.169 0.000 0.934 694 E HN 0.593 nan 8.360 nan 0.000 0.452 695 M N 2.752 122.484 119.600 0.220 0.000 2.518 695 M HA 0.388 5.420 4.480 0.920 0.000 0.300 695 M C -0.989 175.427 176.300 0.192 0.000 1.175 695 M CA -0.700 54.745 55.300 0.242 0.000 0.890 695 M CB 1.735 34.525 32.600 0.317 0.000 1.710 695 M HN 0.235 nan 8.290 nan 0.000 0.453 696 L N 2.024 123.380 121.223 0.221 0.000 2.296 696 L HA 0.490 5.381 4.340 0.920 0.000 0.286 696 L C -0.420 176.559 176.870 0.182 0.000 1.023 696 L CA -0.378 54.601 54.840 0.231 0.000 0.812 696 L CB 1.391 43.646 42.059 0.327 0.000 1.223 696 L HN 0.719 nan 8.230 nan 0.000 0.421 697 N N 3.244 122.039 118.700 0.159 0.000 2.400 697 N HA 0.560 5.852 4.740 0.920 0.000 0.288 697 N C -1.698 173.910 175.510 0.164 0.000 1.024 697 N CA -0.375 52.700 53.050 0.041 0.000 0.894 697 N CB 1.394 39.908 38.487 0.044 0.000 1.173 697 N HN 0.483 nan 8.380 nan 0.000 0.487 698 Y N -0.153 120.169 120.300 0.037 0.000 2.677 698 Y HA 0.448 5.550 4.550 0.920 0.000 0.334 698 Y C -1.397 174.514 175.900 0.017 0.000 1.196 698 Y CA -1.332 56.787 58.100 0.033 0.000 1.059 698 Y CB 0.790 39.284 38.460 0.057 0.000 1.315 698 Y HN 0.194 nan 8.280 nan 0.000 0.455 699 R N 2.600 123.215 120.500 0.192 0.000 2.246 699 R HA 0.602 5.494 4.340 0.920 0.000 0.332 699 R C -1.228 175.144 176.300 0.120 0.000 0.974 699 R CA -0.595 55.558 56.100 0.089 0.000 0.837 699 R CB 1.348 31.681 30.300 0.055 0.000 1.145 699 R HN 0.694 nan 8.270 nan 0.000 0.467 700 L N 0.827 122.096 121.223 0.077 0.000 2.332 700 L HA 0.552 5.444 4.340 0.920 0.000 0.269 700 L C 0.570 177.457 176.870 0.028 0.000 1.016 700 L CA -0.753 54.131 54.840 0.073 0.000 0.809 700 L CB 2.032 44.131 42.059 0.067 0.000 1.280 700 L HN 0.433 nan 8.230 nan 0.000 0.447 701 T N 0.529 115.106 114.554 0.038 0.000 2.908 701 T HA 0.523 5.425 4.350 0.920 0.000 0.290 701 T C -2.616 172.122 174.700 0.064 0.000 1.034 701 T CA -1.733 60.382 62.100 0.025 0.000 1.010 701 T CB 1.960 70.847 68.868 0.032 0.000 1.068 701 T HN 0.214 nan 8.240 nan 0.000 0.481 702 P HA 0.234 nan 4.420 nan 0.000 0.266 702 P C -1.199 176.018 177.300 -0.139 0.000 1.193 702 P CA -0.038 63.027 63.100 -0.059 0.000 0.770 702 P CB 0.444 32.103 31.700 -0.069 0.000 0.836 703 S N 0.682 116.252 115.700 -0.216 0.000 2.579 703 S HA 0.654 5.676 4.470 0.920 0.000 0.272 703 S C -1.242 173.152 174.600 -0.345 0.000 1.141 703 S CA -0.849 57.217 58.200 -0.225 0.000 0.843 703 S CB 0.794 63.946 63.200 -0.080 0.000 1.122 703 S HN 0.123 nan 8.310 nan 0.000 0.468 704 F N 1.415 121.345 119.950 -0.034 0.000 2.408 704 F HA 0.559 5.637 4.527 0.919 0.000 0.344 704 F C 0.908 176.706 175.800 -0.003 0.000 1.112 704 F CA -0.335 57.658 58.000 -0.012 0.000 1.096 704 F CB 1.273 40.249 39.000 -0.040 0.000 1.129 704 F HN 0.496 nan 8.300 nan 0.000 0.486 705 E N 1.604 121.920 120.200 0.192 0.000 2.299 705 E HA 0.633 5.535 4.350 0.920 0.000 0.265 705 E C -0.637 176.020 176.600 0.094 0.000 0.911 705 E CA -1.051 55.409 56.400 0.098 0.000 0.789 705 E CB 2.175 31.905 29.700 0.051 0.000 1.246 705 E HN 0.596 nan 8.360 nan 0.000 0.427 706 A N 1.519 124.364 122.820 0.042 0.000 2.313 706 A HA 0.406 5.277 4.320 0.920 0.000 0.261 706 A C -0.045 177.538 177.584 -0.002 0.000 1.090 706 A CA -0.127 51.921 52.037 0.018 0.000 0.807 706 A CB 0.385 19.387 19.000 0.002 0.000 1.055 706 A HN 0.627 nan 8.150 nan 0.000 0.492 707 Q N -0.051 119.729 119.800 -0.034 0.000 2.435 707 Q HA 0.596 5.487 4.340 0.920 0.000 0.282 707 Q C -3.043 172.880 176.000 -0.130 0.000 1.020 707 Q CA -1.879 53.887 55.803 -0.063 0.000 0.820 707 Q CB 0.758 29.470 28.738 -0.045 0.000 1.436 707 Q HN 0.418 nan 8.270 nan 0.000 0.395 708 P HA 0.036 nan 4.420 nan 0.000 0.265 708 P C -0.805 176.262 177.300 -0.389 0.000 1.193 708 P CA 0.182 63.142 63.100 -0.235 0.000 0.765 708 P CB 0.346 31.927 31.700 -0.199 0.000 0.823 709 D N 5.116 125.173 120.400 -0.572 0.000 2.583 709 D HA -0.065 5.127 4.640 0.920 0.000 0.232 709 D C -1.215 174.424 176.300 -1.101 0.000 1.128 709 D CA -0.384 52.984 54.000 -1.052 0.000 0.859 709 D CB 0.520 40.285 40.800 -1.725 0.000 1.169 709 D HN 0.278 nan 8.370 nan 0.000 0.481 710 P HA -0.134 nan 4.420 nan 0.000 0.222 710 P C 1.358 178.198 177.300 -0.767 0.000 1.147 710 P CA 1.015 63.570 63.100 -0.907 0.000 0.790 710 P CB -0.110 30.803 31.700 -1.312 0.000 0.780 711 W N 0.475 121.374 121.300 -0.669 0.000 2.467 711 W HA 0.070 5.280 4.660 0.915 0.000 0.275 711 W C 1.413 177.928 176.519 -0.007 0.000 1.239 711 W CA 0.373 57.570 57.345 -0.247 0.000 1.266 711 W CB -2.183 27.273 29.460 -0.006 0.000 1.112 711 W HN -0.185 nan 8.180 nan 0.000 0.576 712 N N 0.719 119.286 118.700 -0.222 0.000 2.381 712 N HA -0.124 5.168 4.740 0.920 0.000 0.182 712 N C 1.596 177.089 175.510 -0.028 0.000 1.025 712 N CA 2.452 55.459 53.050 -0.071 0.000 0.888 712 N CB -0.580 37.790 38.487 -0.195 0.000 0.965 712 N HN 0.579 nan 8.380 nan 0.000 0.438 713 T N -3.121 111.389 114.554 -0.073 0.000 3.098 713 T HA 0.007 4.909 4.350 0.920 0.000 0.246 713 T C 0.784 175.484 174.700 -0.000 0.000 0.983 713 T CA -0.227 61.845 62.100 -0.047 0.000 1.094 713 T CB -0.360 68.450 68.868 -0.096 0.000 1.035 713 T HN 0.178 nan 8.240 nan 0.000 0.456 714 H N 2.473 121.485 119.070 -0.098 0.000 2.972 714 H HA 0.426 5.536 4.556 0.924 0.000 0.343 714 H C -0.213 175.061 175.328 -0.090 0.000 1.054 714 H CA 0.357 56.342 56.048 -0.104 0.000 1.412 714 H CB 0.621 30.317 29.762 -0.111 0.000 1.385 714 H HN 0.393 nan 8.280 nan 0.000 0.600 715 V N 2.671 122.143 119.914 -0.736 0.000 2.628 715 V HA 0.421 5.093 4.120 0.920 0.000 0.306 715 V C -0.551 175.196 176.094 -0.579 0.000 1.045 715 V CA -1.162 60.895 62.300 -0.405 0.000 0.905 715 V CB 0.991 32.733 31.823 -0.135 0.000 0.997 715 V HN 0.734 nan 8.190 nan 0.000 0.436 716 W N 0.000 121.250 121.300 -0.083 0.000 2.388 716 W HA 0.000 5.205 4.660 0.908 0.000 0.303 716 W CA 0.000 57.362 57.345 0.028 0.000 1.226 716 W CB 0.000 29.521 29.460 0.101 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535