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 3fc5_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP 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 FSACPFSSWY MGTEIGVRDY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 299 R HA 0.000 nan 4.340 nan 0.000 0.208 299 R C 0.000 176.272 176.300 -0.046 0.000 0.893 299 R CA 0.000 56.102 56.100 0.003 0.000 0.921 299 R CB 0.000 30.340 30.300 0.066 0.000 0.687 300 F N 4.019 124.025 119.950 0.093 0.000 2.403 300 F HA 0.629 4.677 4.527 -0.799 0.000 0.326 300 F C 0.197 176.043 175.800 0.077 0.000 1.081 300 F CA -0.670 57.398 58.000 0.114 0.000 1.041 300 F CB 1.243 40.279 39.000 0.059 0.000 1.234 300 F HN 0.191 nan 8.300 nan 0.000 0.503 301 L N 1.632 122.998 121.223 0.238 0.000 2.422 301 L HA 0.493 4.354 4.340 -0.799 0.000 0.264 301 L C -0.832 176.104 176.870 0.109 0.000 0.984 301 L CA -0.862 54.024 54.840 0.077 0.000 0.819 301 L CB 2.561 44.538 42.059 -0.137 0.000 1.330 301 L HN 0.551 nan 8.230 nan 0.000 0.410 302 K N 1.785 122.221 120.400 0.060 0.000 2.203 302 K HA 0.747 4.588 4.320 -0.799 0.000 0.251 302 K C -1.196 175.410 176.600 0.011 0.000 0.944 302 K CA -0.752 55.553 56.287 0.030 0.000 0.829 302 K CB 2.765 35.265 32.500 -0.001 0.000 1.125 302 K HN 0.371 nan 8.250 nan 0.000 0.430 303 V N -0.728 119.162 119.914 -0.039 0.000 2.531 303 V HA 0.519 4.160 4.120 -0.799 0.000 0.301 303 V C -0.745 175.289 176.094 -0.100 0.000 1.034 303 V CA -0.967 61.313 62.300 -0.033 0.000 0.865 303 V CB 1.497 33.312 31.823 -0.015 0.000 0.995 303 V HN 0.698 nan 8.190 nan 0.000 0.424 304 K N 3.692 124.039 120.400 -0.088 0.000 2.138 304 K HA 0.398 4.239 4.320 -0.799 0.000 0.263 304 K C -0.529 175.971 176.600 -0.167 0.000 0.965 304 K CA -0.653 55.481 56.287 -0.255 0.000 0.868 304 K CB 1.366 33.525 32.500 -0.569 0.000 1.083 304 K HN 0.912 nan 8.250 nan 0.000 0.443 305 N N 3.952 122.552 118.700 -0.168 0.000 2.426 305 N HA 0.067 4.328 4.740 -0.799 0.000 0.257 305 N C -0.353 175.127 175.510 -0.049 0.000 1.002 305 N CA -0.269 52.783 53.050 0.002 0.000 0.942 305 N CB 0.471 38.979 38.487 0.035 0.000 1.112 305 N HN 0.629 nan 8.380 nan 0.000 0.499 306 W N 2.001 123.378 121.300 0.129 0.000 3.204 306 W HA 0.137 4.318 4.660 -0.799 0.000 0.249 306 W C 1.841 178.401 176.519 0.069 0.000 1.322 306 W CA -0.221 57.189 57.345 0.108 0.000 1.593 306 W CB 0.342 29.888 29.460 0.144 0.000 1.122 306 W HN 0.645 nan 8.180 nan 0.000 0.710 307 E N -0.436 119.874 120.200 0.183 0.000 2.465 307 E HA -0.045 3.826 4.350 -0.799 0.000 0.209 307 E C 1.554 178.162 176.600 0.013 0.000 0.951 307 E CA 1.365 57.782 56.400 0.028 0.000 0.997 307 E CB 0.407 30.048 29.700 -0.099 0.000 1.025 307 E HN 0.205 nan 8.360 nan 0.000 0.500 308 T N -3.296 111.264 114.554 0.011 0.000 3.041 308 T HA 0.132 4.003 4.350 -0.799 0.000 0.276 308 T C 0.383 175.049 174.700 -0.056 0.000 0.948 308 T CA 0.224 62.315 62.100 -0.016 0.000 0.885 308 T CB 0.379 69.245 68.868 -0.004 0.000 1.175 308 T HN -0.012 nan 8.240 nan 0.000 0.529 309 D N 0.613 120.952 120.400 -0.101 0.000 3.059 309 D HA -0.128 4.032 4.640 -0.799 0.000 0.213 309 D C 0.041 176.241 176.300 -0.166 0.000 1.144 309 D CA 0.574 54.467 54.000 -0.178 0.000 0.975 309 D CB -1.737 38.979 40.800 -0.139 0.000 1.125 309 D HN 0.461 nan 8.370 nan 0.000 0.412 310 V N 0.959 120.798 119.914 -0.124 0.000 2.599 310 V HA 0.105 3.746 4.120 -0.799 0.000 0.300 310 V C 0.957 176.955 176.094 -0.159 0.000 1.034 310 V CA 0.124 62.353 62.300 -0.118 0.000 1.115 310 V CB 1.588 33.358 31.823 -0.087 0.000 0.934 310 V HN -0.059 nan 8.190 nan 0.000 0.485 311 V N 6.567 126.389 119.914 -0.154 0.000 2.628 311 V HA 0.578 4.219 4.120 -0.799 0.000 0.306 311 V C -0.208 175.779 176.094 -0.178 0.000 1.045 311 V CA -0.599 61.599 62.300 -0.169 0.000 0.905 311 V CB 1.827 33.562 31.823 -0.147 0.000 0.997 311 V HN 0.639 nan 8.190 nan 0.000 0.436 312 L N 2.788 123.868 121.223 -0.238 0.000 2.381 312 L HA 0.647 4.508 4.340 -0.799 0.000 0.268 312 L C -0.273 176.511 176.870 -0.143 0.000 0.997 312 L CA -0.472 54.181 54.840 -0.311 0.000 0.818 312 L CB 2.658 44.214 42.059 -0.839 0.000 1.310 312 L HN 0.555 nan 8.230 nan 0.000 0.416 313 T N 0.075 114.659 114.554 0.050 0.000 2.749 313 T HA 0.184 4.055 4.350 -0.799 0.000 0.287 313 T C -0.645 174.292 174.700 0.395 0.000 0.970 313 T CA -0.400 61.826 62.100 0.210 0.000 0.980 313 T CB 1.291 70.288 68.868 0.216 0.000 0.924 313 T HN 0.427 nan 8.240 nan 0.000 0.456 314 D N 2.832 123.470 120.400 0.397 0.000 2.412 314 D HA 0.155 4.315 4.640 -0.799 0.000 0.224 314 D C 0.943 177.396 176.300 0.255 0.000 1.093 314 D CA -0.312 53.917 54.000 0.382 0.000 0.850 314 D CB 1.261 42.310 40.800 0.414 0.000 1.046 314 D HN 0.611 nan 8.370 nan 0.000 0.507 315 T N 1.229 115.823 114.554 0.067 0.000 3.037 315 T HA -0.059 3.812 4.350 -0.799 0.000 0.251 315 T C 1.829 176.341 174.700 -0.314 0.000 1.079 315 T CA -0.243 61.748 62.100 -0.181 0.000 1.067 315 T CB 0.236 68.972 68.868 -0.219 0.000 0.948 315 T HN 0.246 nan 8.240 nan 0.000 0.496 316 L N 3.211 124.318 121.223 -0.195 0.000 2.131 316 L HA -0.073 3.787 4.340 -0.799 0.000 0.210 316 L C 2.553 179.139 176.870 -0.473 0.000 1.092 316 L CA 1.697 56.398 54.840 -0.232 0.000 0.759 316 L CB -1.033 40.979 42.059 -0.079 0.000 0.903 316 L HN 0.568 nan 8.230 nan 0.000 0.435 317 H N -1.236 117.341 119.070 -0.821 0.000 2.518 317 H HA -0.152 3.925 4.556 -0.799 0.000 0.292 317 H C 2.008 176.999 175.328 -0.562 0.000 1.068 317 H CA 1.421 56.691 56.048 -1.297 0.000 1.275 317 H CB -0.701 28.406 29.762 -1.092 0.000 1.375 317 H HN 0.423 nan 8.280 nan 0.000 0.563 318 L N 0.532 121.101 121.223 -1.090 0.000 2.083 318 L HA -0.129 3.731 4.340 -0.799 0.000 0.209 318 L C 2.088 178.745 176.870 -0.355 0.000 1.083 318 L CA 1.159 55.584 54.840 -0.692 0.000 0.752 318 L CB -0.273 41.417 42.059 -0.616 0.000 0.899 318 L HN 0.098 nan 8.230 nan 0.000 0.433 319 K N 0.175 120.397 120.400 -0.297 0.000 2.551 319 K HA 0.065 3.905 4.320 -0.799 0.000 0.192 319 K C 0.853 177.400 176.600 -0.088 0.000 1.027 319 K CA 0.066 56.260 56.287 -0.154 0.000 1.059 319 K CB -0.283 32.150 32.500 -0.112 0.000 0.831 319 K HN 0.139 nan 8.250 nan 0.000 0.508 320 S N 0.580 116.212 115.700 -0.114 0.000 2.579 320 S HA 0.103 4.094 4.470 -0.799 0.000 0.275 320 S C 1.083 175.686 174.600 0.005 0.000 1.345 320 S CA 0.330 58.527 58.200 -0.006 0.000 1.031 320 S CB 0.694 63.903 63.200 0.016 0.000 0.892 320 S HN 0.437 nan 8.310 nan 0.000 0.529 321 T N 2.854 117.430 114.554 0.037 0.000 3.280 321 T HA 0.309 4.179 4.350 -0.799 0.000 0.256 321 T C 0.777 175.497 174.700 0.034 0.000 0.995 321 T CA -0.419 61.697 62.100 0.028 0.000 1.144 321 T CB -0.596 68.291 68.868 0.031 0.000 1.140 321 T HN 0.507 nan 8.240 nan 0.000 0.423 322 L N 1.718 122.966 121.223 0.042 0.000 2.474 322 L HA 0.399 4.260 4.340 -0.799 0.000 0.259 322 L C 0.439 177.336 176.870 0.045 0.000 1.232 322 L CA -0.378 54.484 54.840 0.037 0.000 0.821 322 L CB 0.109 42.187 42.059 0.031 0.000 1.108 322 L HN 0.302 nan 8.230 nan 0.000 0.495 323 E N -0.690 119.534 120.200 0.039 0.000 2.250 323 E HA 0.158 4.029 4.350 -0.799 0.000 0.269 323 E C 0.339 176.966 176.600 0.045 0.000 1.018 323 E CA -0.057 56.368 56.400 0.042 0.000 0.873 323 E CB 1.507 31.227 29.700 0.035 0.000 1.134 323 E HN 0.716 nan 8.360 nan 0.000 0.403 324 T N -1.682 112.901 114.554 0.049 0.000 3.037 324 T HA 0.223 4.093 4.350 -0.799 0.000 0.251 324 T C 1.383 176.110 174.700 0.044 0.000 1.079 324 T CA 0.391 62.521 62.100 0.050 0.000 1.067 324 T CB 0.260 69.164 68.868 0.060 0.000 0.948 324 T HN 0.765 nan 8.240 nan 0.000 0.496 325 G N 0.373 109.197 108.800 0.041 0.000 2.217 325 G HA2 -0.251 3.230 3.960 -0.799 0.000 0.246 325 G HA3 -0.251 3.230 3.960 -0.799 0.000 0.246 325 G C 0.282 175.206 174.900 0.039 0.000 0.990 325 G CA -0.100 45.024 45.100 0.040 0.000 0.627 325 G HN 0.736 nan 8.290 nan 0.000 0.522 326 C N 1.163 120.486 119.300 0.038 0.000 2.351 326 C HA 0.932 4.913 4.460 -0.799 0.000 0.359 326 C C 0.991 175.997 174.990 0.026 0.000 1.193 326 C CA 0.593 59.631 59.018 0.033 0.000 2.270 326 C CB 1.154 28.913 27.740 0.031 0.000 2.369 326 C HN 0.988 nan 8.230 nan 0.000 0.553 327 T N -1.026 113.540 114.554 0.020 0.000 2.804 327 T HA 0.386 4.257 4.350 -0.799 0.000 0.290 327 T C 0.408 175.077 174.700 -0.051 0.000 1.099 327 T CA -0.395 61.707 62.100 0.003 0.000 1.011 327 T CB 1.010 69.903 68.868 0.041 0.000 1.291 327 T HN 0.482 nan 8.240 nan 0.000 0.523 328 E N -0.208 119.905 120.200 -0.145 0.000 2.204 328 E HA -0.060 3.811 4.350 -0.799 0.000 0.195 328 E C 1.414 177.805 176.600 -0.349 0.000 0.990 328 E CA 1.291 57.515 56.400 -0.293 0.000 0.821 328 E CB -0.144 29.282 29.700 -0.456 0.000 0.750 328 E HN 0.585 nan 8.360 nan 0.000 0.477 329 H N -1.607 117.469 119.070 0.010 0.000 2.652 329 H HA 0.406 4.483 4.556 -0.799 0.000 0.274 329 H C 0.039 175.372 175.328 0.008 0.000 1.021 329 H CA 0.120 56.173 56.048 0.008 0.000 1.187 329 H CB 1.012 30.779 29.762 0.008 0.000 1.505 329 H HN 0.078 nan 8.280 nan 0.000 0.530 330 I N 0.369 120.990 120.570 0.084 0.000 2.785 330 I HA 0.152 3.842 4.170 -0.799 0.000 0.293 330 I C -1.355 174.783 176.117 0.035 0.000 1.446 330 I CA -0.673 60.663 61.300 0.060 0.000 1.028 330 I CB 2.410 40.451 38.000 0.068 0.000 1.349 330 I HN 0.036 nan 8.210 nan 0.000 0.438 331 C N 7.409 126.726 119.300 0.028 0.000 2.345 331 C HA 0.599 4.579 4.460 -0.799 0.000 0.323 331 C C 0.538 175.547 174.990 0.032 0.000 1.276 331 C CA -0.472 58.560 59.018 0.024 0.000 1.543 331 C CB 0.862 28.609 27.740 0.011 0.000 2.211 331 C HN 0.845 nan 8.230 nan 0.000 0.493 332 M N 4.591 124.214 119.600 0.039 0.000 2.576 332 M HA 0.217 4.218 4.480 -0.799 0.000 0.322 332 M C 1.851 178.186 176.300 0.060 0.000 1.184 332 M CA 0.108 55.437 55.300 0.047 0.000 0.967 332 M CB 0.230 32.858 32.600 0.046 0.000 1.372 332 M HN 0.977 nan 8.290 nan 0.000 0.509 333 G N 1.300 110.135 108.800 0.059 0.000 2.549 333 G HA2 -0.250 3.231 3.960 -0.799 0.000 0.222 333 G HA3 -0.250 3.231 3.960 -0.799 0.000 0.222 333 G C 1.443 176.413 174.900 0.116 0.000 1.100 333 G CA 1.657 46.804 45.100 0.079 0.000 0.739 333 G HN 0.585 nan 8.290 nan 0.000 0.577 334 S N -0.706 115.058 115.700 0.106 0.000 2.554 334 S HA 0.379 4.370 4.470 -0.799 0.000 0.226 334 S C 0.576 175.252 174.600 0.127 0.000 0.980 334 S CA -0.652 57.628 58.200 0.134 0.000 0.939 334 S CB 0.221 63.484 63.200 0.106 0.000 0.832 334 S HN 0.007 nan 8.310 nan 0.000 0.486 335 I N 2.616 123.249 120.570 0.104 0.000 2.396 335 I HA 0.226 3.917 4.170 -0.799 0.000 0.289 335 I C 1.476 177.661 176.117 0.113 0.000 1.056 335 I CA -0.018 61.336 61.300 0.090 0.000 1.365 335 I CB 0.589 38.628 38.000 0.064 0.000 1.407 335 I HN 0.351 nan 8.210 nan 0.000 0.509 336 M N 6.403 126.075 119.600 0.120 0.000 2.117 336 M HA -0.065 3.936 4.480 -0.799 0.000 0.262 336 M C 0.136 176.471 176.300 0.058 0.000 1.065 336 M CA 1.943 57.331 55.300 0.147 0.000 1.114 336 M CB 0.216 32.894 32.600 0.131 0.000 1.361 336 M HN 0.445 nan 8.290 nan 0.000 0.408 337 L N 0.495 121.727 121.223 0.016 0.000 2.490 337 L HA 0.440 4.301 4.340 -0.799 0.000 0.256 337 L C -2.301 174.587 176.870 0.030 0.000 1.089 337 L CA -1.673 53.167 54.840 -0.000 0.000 0.916 337 L CB 0.312 42.312 42.059 -0.098 0.000 1.188 337 L HN 0.038 nan 8.230 nan 0.000 0.476 351 K N 0.882 121.307 120.400 0.042 0.000 2.034 351 K HA -0.225 3.616 4.320 -0.799 0.000 0.214 351 K C 1.541 178.180 176.600 0.064 0.000 1.051 351 K CA 2.289 58.607 56.287 0.052 0.000 0.931 351 K CB -0.113 32.407 32.500 0.033 0.000 0.715 351 K HN 0.564 nan 8.250 nan 0.000 0.446 352 D N 0.458 120.885 120.400 0.045 0.000 2.178 352 D HA -0.135 4.026 4.640 -0.799 0.000 0.202 352 D C 1.827 178.168 176.300 0.068 0.000 0.974 352 D CA 1.256 55.285 54.000 0.048 0.000 0.841 352 D CB 0.163 40.978 40.800 0.026 0.000 0.953 352 D HN 0.239 nan 8.370 nan 0.000 0.478 353 Q N -0.676 119.159 119.800 0.057 0.000 2.119 353 Q HA -0.098 3.763 4.340 -0.799 0.000 0.201 353 Q C 2.031 178.073 176.000 0.070 0.000 0.972 353 Q CA 0.732 56.568 55.803 0.055 0.000 0.847 353 Q CB -0.069 28.693 28.738 0.039 0.000 0.903 353 Q HN 0.282 nan 8.270 nan 0.000 0.433 354 L N -0.169 121.104 121.223 0.083 0.000 2.109 354 L HA -0.062 3.798 4.340 -0.799 0.000 0.207 354 L C 1.930 178.846 176.870 0.076 0.000 1.086 354 L CA 1.468 56.360 54.840 0.086 0.000 0.760 354 L CB -0.511 41.610 42.059 0.105 0.000 0.910 354 L HN 0.118 nan 8.230 nan 0.000 0.437 355 F N 0.909 120.846 119.950 -0.021 0.000 2.146 355 F HA -0.058 3.990 4.527 -0.799 0.000 0.298 355 F C -0.550 175.238 175.800 -0.020 0.000 1.096 355 F CA 1.172 59.140 58.000 -0.054 0.000 1.275 355 F CB -1.307 37.657 39.000 -0.060 0.000 1.008 355 F HN 0.161 nan 8.300 nan 0.000 0.480 356 P HA -0.204 nan 4.420 nan 0.000 0.215 356 P C 2.095 179.385 177.300 -0.017 0.000 1.157 356 P CA 1.752 64.899 63.100 0.078 0.000 0.868 356 P CB -0.156 31.600 31.700 0.094 0.000 0.788 357 L N -1.030 120.193 121.223 0.001 0.000 2.013 357 L HA -0.234 3.626 4.340 -0.799 0.000 0.212 357 L C 2.500 179.375 176.870 0.007 0.000 1.073 357 L CA 1.948 56.799 54.840 0.018 0.000 0.753 357 L CB -1.342 40.736 42.059 0.032 0.000 0.890 357 L HN -0.020 nan 8.230 nan 0.000 0.432 358 A N 0.053 122.802 122.820 -0.118 0.000 1.877 358 A HA -0.251 3.590 4.320 -0.799 0.000 0.216 358 A C 2.417 179.876 177.584 -0.208 0.000 1.186 358 A CA 1.955 53.883 52.037 -0.182 0.000 0.620 358 A CB -0.484 18.162 19.000 -0.590 0.000 0.822 358 A HN 0.334 nan 8.150 nan 0.000 0.443 359 K N -0.201 119.923 120.400 -0.459 0.000 2.032 359 K HA -0.234 3.606 4.320 -0.799 0.000 0.209 359 K C 2.119 178.704 176.600 -0.023 0.000 1.048 359 K CA 1.793 57.898 56.287 -0.303 0.000 0.927 359 K CB -0.211 32.133 32.500 -0.261 0.000 0.712 359 K HN 0.638 nan 8.250 nan 0.000 0.441 360 E N -0.194 120.018 120.200 0.020 0.000 2.038 360 E HA -0.235 3.636 4.350 -0.799 0.000 0.195 360 E C 1.949 178.627 176.600 0.129 0.000 1.000 360 E CA 1.421 57.874 56.400 0.089 0.000 0.803 360 E CB -0.278 29.474 29.700 0.087 0.000 0.750 360 E HN 0.367 nan 8.360 nan 0.000 0.448 361 F N 1.518 121.485 119.950 0.029 0.000 2.069 361 F HA -0.211 3.837 4.527 -0.798 0.000 0.298 361 F C 2.054 177.892 175.800 0.064 0.000 1.113 361 F CA 1.576 59.612 58.000 0.061 0.000 1.214 361 F CB -0.418 38.622 39.000 0.067 0.000 0.978 361 F HN 0.014 nan 8.300 nan 0.000 0.474 362 L N 0.034 121.250 121.223 -0.012 0.000 2.079 362 L HA -0.252 3.609 4.340 -0.799 0.000 0.210 362 L C 2.240 179.106 176.870 -0.007 0.000 1.081 362 L CA 1.500 56.327 54.840 -0.022 0.000 0.752 362 L CB -0.917 41.241 42.059 0.165 0.000 0.896 362 L HN 0.130 nan 8.230 nan 0.000 0.433 363 D N -0.228 120.223 120.400 0.086 0.000 2.092 363 D HA -0.208 3.952 4.640 -0.799 0.000 0.193 363 D C 2.273 178.619 176.300 0.077 0.000 0.994 363 D CA 1.208 55.340 54.000 0.221 0.000 0.828 363 D CB -0.287 40.742 40.800 0.382 0.000 0.963 363 D HN 0.392 nan 8.370 nan 0.000 0.450 364 Q N -0.572 119.191 119.800 -0.062 0.000 2.045 364 Q HA -0.234 3.626 4.340 -0.799 0.000 0.206 364 Q C 2.202 177.971 176.000 -0.386 0.000 0.991 364 Q CA 1.570 57.282 55.803 -0.150 0.000 0.851 364 Q CB -0.422 28.262 28.738 -0.090 0.000 0.911 364 Q HN 0.384 nan 8.270 nan 0.000 0.418 365 Y N 0.119 119.888 120.300 -0.884 0.000 2.081 365 Y HA -0.322 3.749 4.550 -0.798 0.000 0.280 365 Y C 1.855 177.272 175.900 -0.804 0.000 1.163 365 Y CA 1.734 59.042 58.100 -1.320 0.000 1.135 365 Y CB -0.580 37.021 38.460 -1.431 0.000 0.970 365 Y HN 0.123 nan 8.280 nan 0.000 0.498 366 Y N -0.978 118.922 120.300 -0.665 0.000 2.242 366 Y HA -0.189 3.882 4.550 -0.798 0.000 0.291 366 Y C 3.073 178.749 175.900 -0.373 0.000 1.137 366 Y CA 1.703 59.419 58.100 -0.639 0.000 1.181 366 Y CB -0.648 37.278 38.460 -0.891 0.000 0.989 366 Y HN 0.171 nan 8.280 nan 0.000 0.527 367 S N -0.617 115.050 115.700 -0.055 0.000 2.368 367 S HA -0.228 3.763 4.470 -0.799 0.000 0.225 367 S C 2.374 176.879 174.600 -0.159 0.000 1.030 367 S CA 1.543 59.715 58.200 -0.047 0.000 0.999 367 S CB -0.650 62.464 63.200 -0.144 0.000 0.844 367 S HN 0.607 nan 8.310 nan 0.000 0.459 368 S N 1.780 117.317 115.700 -0.271 0.000 2.399 368 S HA -0.070 3.921 4.470 -0.799 0.000 0.231 368 S C 1.735 176.195 174.600 -0.234 0.000 1.022 368 S CA 1.203 59.285 58.200 -0.197 0.000 0.983 368 S CB -0.845 62.276 63.200 -0.133 0.000 0.803 368 S HN 0.775 nan 8.310 nan 0.000 0.480 369 I N -2.529 117.789 120.570 -0.420 0.000 3.883 369 I HA 0.378 4.068 4.170 -0.799 0.000 0.326 369 I C 0.031 176.042 176.117 -0.178 0.000 1.283 369 I CA -0.323 60.772 61.300 -0.341 0.000 1.161 369 I CB -0.417 37.248 38.000 -0.558 0.000 1.012 369 I HN 0.066 nan 8.210 nan 0.000 0.421 370 K N 1.749 122.076 120.400 -0.121 0.000 3.200 370 K HA -0.107 3.734 4.320 -0.799 0.000 0.272 370 K C -0.313 176.298 176.600 0.018 0.000 1.150 370 K CA 0.267 56.536 56.287 -0.031 0.000 0.801 370 K CB -1.296 31.188 32.500 -0.027 0.000 1.269 370 K HN 0.447 nan 8.250 nan 0.000 0.500 371 R N 0.272 120.803 120.500 0.053 0.000 2.668 371 R HA 0.159 4.020 4.340 -0.799 0.000 0.435 371 R C -0.289 176.108 176.300 0.163 0.000 1.059 371 R CA -0.446 55.726 56.100 0.120 0.000 1.073 371 R CB -0.164 30.252 30.300 0.194 0.000 1.401 371 R HN 0.158 nan 8.270 nan 0.000 0.590 372 F N 1.557 121.528 119.950 0.034 0.000 2.571 372 F HA 0.256 4.303 4.527 -0.799 0.000 0.384 372 F C 1.456 177.364 175.800 0.180 0.000 1.058 372 F CA 1.703 59.772 58.000 0.115 0.000 1.200 372 F CB 0.578 39.602 39.000 0.040 0.000 1.077 372 F HN 0.593 nan 8.300 nan 0.000 0.558 373 G N 3.072 111.763 108.800 -0.183 0.000 2.205 373 G HA2 -0.309 3.172 3.960 -0.799 0.000 0.261 373 G HA3 -0.309 3.172 3.960 -0.799 0.000 0.261 373 G C 0.450 175.236 174.900 -0.189 0.000 0.980 373 G CA 0.330 45.228 45.100 -0.336 0.000 0.632 373 G HN 1.181 nan 8.290 nan 0.000 0.533 374 S N -0.171 115.482 115.700 -0.078 0.000 2.580 374 S HA 0.350 4.340 4.470 -0.799 0.000 0.261 374 S C 1.431 175.958 174.600 -0.121 0.000 1.366 374 S CA 0.844 59.007 58.200 -0.062 0.000 0.996 374 S CB 1.421 64.621 63.200 0.001 0.000 0.902 374 S HN 0.526 nan 8.310 nan 0.000 0.566 375 K N 0.885 121.236 120.400 -0.081 0.000 2.026 375 K HA -0.145 3.695 4.320 -0.799 0.000 0.208 375 K C 2.396 178.938 176.600 -0.096 0.000 1.048 375 K CA 1.327 57.561 56.287 -0.088 0.000 0.929 375 K CB -0.999 31.471 32.500 -0.049 0.000 0.713 375 K HN 0.774 nan 8.250 nan 0.000 0.439 376 A N 0.958 123.747 122.820 -0.051 0.000 1.903 376 A HA -0.293 3.548 4.320 -0.799 0.000 0.219 376 A C 2.064 179.529 177.584 -0.198 0.000 1.191 376 A CA 2.136 54.166 52.037 -0.011 0.000 0.638 376 A CB -1.186 17.893 19.000 0.130 0.000 0.823 376 A HN 0.680 nan 8.150 nan 0.000 0.451 377 H N -1.401 117.269 119.070 -0.666 0.000 2.290 377 H HA -0.146 3.931 4.556 -0.799 0.000 0.298 377 H C 2.160 177.108 175.328 -0.633 0.000 1.087 377 H CA 1.591 56.873 56.048 -1.277 0.000 1.291 377 H CB -0.086 29.035 29.762 -1.069 0.000 1.369 377 H HN 0.367 nan 8.280 nan 0.000 0.492 378 M N 0.911 120.261 119.600 -0.416 0.000 2.086 378 M HA -0.164 3.836 4.480 -0.799 0.000 0.261 378 M C 1.784 177.981 176.300 -0.172 0.000 1.067 378 M CA 1.140 56.238 55.300 -0.337 0.000 1.116 378 M CB -0.855 31.580 32.600 -0.275 0.000 1.348 378 M HN 0.368 nan 8.290 nan 0.000 0.407 379 D N 0.082 120.409 120.400 -0.121 0.000 2.092 379 D HA -0.196 3.965 4.640 -0.799 0.000 0.193 379 D C 2.072 178.366 176.300 -0.010 0.000 0.994 379 D CA 1.528 55.498 54.000 -0.049 0.000 0.828 379 D CB -0.390 40.396 40.800 -0.022 0.000 0.963 379 D HN 0.240 nan 8.370 nan 0.000 0.450 380 R N 0.645 121.149 120.500 0.008 0.000 2.083 380 R HA -0.124 3.736 4.340 -0.799 0.000 0.237 380 R C 2.238 178.581 176.300 0.073 0.000 1.137 380 R CA 0.761 56.916 56.100 0.092 0.000 0.951 380 R CB -0.801 29.635 30.300 0.227 0.000 0.851 380 R HN 0.088 nan 8.270 nan 0.000 0.434 381 L N 1.172 122.411 121.223 0.026 0.000 1.990 381 L HA -0.211 3.649 4.340 -0.799 0.000 0.213 381 L C 2.204 179.136 176.870 0.104 0.000 1.072 381 L CA 2.479 57.343 54.840 0.040 0.000 0.755 381 L CB -1.331 40.694 42.059 -0.056 0.000 0.889 381 L HN 0.387 nan 8.230 nan 0.000 0.432 382 E N -0.027 120.195 120.200 0.037 0.000 2.058 382 E HA -0.275 3.596 4.350 -0.799 0.000 0.194 382 E C 2.119 178.749 176.600 0.050 0.000 0.997 382 E CA 1.971 58.389 56.400 0.030 0.000 0.801 382 E CB -0.256 29.435 29.700 -0.014 0.000 0.746 382 E HN 0.538 nan 8.360 nan 0.000 0.450 383 E N -0.345 119.885 120.200 0.050 0.000 2.012 383 E HA -0.200 3.671 4.350 -0.799 0.000 0.197 383 E C 2.120 178.764 176.600 0.073 0.000 1.007 383 E CA 1.961 58.396 56.400 0.059 0.000 0.816 383 E CB -0.168 29.573 29.700 0.069 0.000 0.762 383 E HN 0.217 nan 8.360 nan 0.000 0.451 384 V N 2.337 122.294 119.914 0.071 0.000 2.282 384 V HA -0.364 3.277 4.120 -0.799 0.000 0.249 384 V C 2.485 178.618 176.094 0.065 0.000 1.057 384 V CA 2.243 64.543 62.300 -0.000 0.000 1.032 384 V CB -1.076 30.639 31.823 -0.179 0.000 0.645 384 V HN 0.474 nan 8.190 nan 0.000 0.447 385 N N 0.281 119.132 118.700 0.252 0.000 2.011 385 N HA -0.300 3.961 4.740 -0.799 0.000 0.199 385 N C 1.966 177.514 175.510 0.064 0.000 1.047 385 N CA 2.217 55.442 53.050 0.291 0.000 0.863 385 N CB -0.134 38.417 38.487 0.107 0.000 1.056 385 N HN 0.501 nan 8.380 nan 0.000 0.427 386 K N 0.552 120.971 120.400 0.033 0.000 2.063 386 K HA -0.194 3.647 4.320 -0.799 0.000 0.208 386 K C 2.097 178.717 176.600 0.034 0.000 1.048 386 K CA 1.431 57.724 56.287 0.011 0.000 0.928 386 K CB -0.187 32.319 32.500 0.010 0.000 0.713 386 K HN 0.393 nan 8.250 nan 0.000 0.442 387 E N 1.017 121.253 120.200 0.060 0.000 2.110 387 E HA -0.185 3.686 4.350 -0.799 0.000 0.193 387 E C 1.898 178.553 176.600 0.091 0.000 0.988 387 E CA 1.007 57.456 56.400 0.082 0.000 0.804 387 E CB 0.006 29.779 29.700 0.121 0.000 0.745 387 E HN 0.260 nan 8.360 nan 0.000 0.458 388 I N 0.733 121.358 120.570 0.091 0.000 2.252 388 I HA -0.213 3.478 4.170 -0.799 0.000 0.245 388 I C 2.537 178.692 176.117 0.063 0.000 1.102 388 I CA 1.135 62.494 61.300 0.099 0.000 1.385 388 I CB -0.249 37.820 38.000 0.116 0.000 1.064 388 I HN 0.126 nan 8.210 nan 0.000 0.414 389 E N 0.975 121.195 120.200 0.033 0.000 2.077 389 E HA -0.228 3.643 4.350 -0.799 0.000 0.193 389 E C 2.252 178.860 176.600 0.013 0.000 0.989 389 E CA 1.929 58.331 56.400 0.005 0.000 0.800 389 E CB -0.185 29.499 29.700 -0.027 0.000 0.746 389 E HN 0.379 nan 8.360 nan 0.000 0.452 390 S N -1.253 114.460 115.700 0.022 0.000 2.348 390 S HA -0.098 3.893 4.470 -0.799 0.000 0.219 390 S C 2.038 176.655 174.600 0.029 0.000 1.033 390 S CA 1.940 60.153 58.200 0.022 0.000 0.974 390 S CB -0.688 62.528 63.200 0.025 0.000 0.868 390 S HN 0.455 nan 8.310 nan 0.000 0.459 391 T N -1.352 113.228 114.554 0.043 0.000 3.040 391 T HA 0.253 4.124 4.350 -0.799 0.000 0.250 391 T C 1.052 175.780 174.700 0.046 0.000 1.058 391 T CA 1.023 63.148 62.100 0.043 0.000 0.988 391 T CB -0.291 68.609 68.868 0.053 0.000 0.993 391 T HN 1.330 nan 8.240 nan 0.000 0.519 392 S N -1.010 114.722 115.700 0.054 0.000 3.380 392 S HA -0.207 3.784 4.470 -0.799 0.000 0.300 392 S C 0.265 174.911 174.600 0.077 0.000 1.255 392 S CA 1.346 59.580 58.200 0.057 0.000 0.963 392 S CB -2.821 60.401 63.200 0.036 0.000 1.106 392 S HN 1.069 nan 8.310 nan 0.000 0.629 393 T N -0.496 114.125 114.554 0.111 0.000 2.630 393 T HA 0.711 4.582 4.350 -0.799 0.000 0.300 393 T C -1.488 173.393 174.700 0.302 0.000 1.261 393 T CA 0.016 62.211 62.100 0.158 0.000 1.060 393 T CB 1.109 70.005 68.868 0.046 0.000 1.670 393 T HN 1.524 nan 8.240 nan 0.000 0.473 394 Y N -0.927 119.367 120.300 -0.010 0.000 2.818 394 Y HA 0.760 4.832 4.550 -0.797 0.000 0.341 394 Y C -1.921 173.978 175.900 -0.002 0.000 1.283 394 Y CA -1.299 56.805 58.100 0.007 0.000 1.075 394 Y CB 0.775 39.250 38.460 0.026 0.000 1.370 394 Y HN 0.444 nan 8.280 nan 0.000 0.448 395 Q N 1.998 121.760 119.800 -0.063 0.000 2.365 395 Q HA 0.543 4.404 4.340 -0.799 0.000 0.269 395 Q C -1.248 174.709 176.000 -0.072 0.000 1.061 395 Q CA -0.874 54.850 55.803 -0.131 0.000 0.816 395 Q CB 3.144 31.872 28.738 -0.017 0.000 1.325 395 Q HN 0.754 nan 8.270 nan 0.000 0.446 396 L N 1.857 123.018 121.223 -0.104 0.000 2.312 396 L HA 0.360 4.220 4.340 -0.799 0.000 0.281 396 L C 0.616 177.478 176.870 -0.014 0.000 1.070 396 L CA -0.952 53.870 54.840 -0.031 0.000 0.805 396 L CB 0.514 42.533 42.059 -0.067 0.000 1.174 396 L HN 0.205 nan 8.230 nan 0.000 0.434 397 K N 1.574 121.973 120.400 -0.001 0.000 2.440 397 K HA -0.033 3.808 4.320 -0.799 0.000 0.270 397 K C 0.444 177.010 176.600 -0.056 0.000 0.980 397 K CA -0.056 56.217 56.287 -0.023 0.000 0.953 397 K CB 0.635 33.118 32.500 -0.027 0.000 0.925 397 K HN 0.478 nan 8.250 nan 0.000 0.497 398 D N 0.849 121.224 120.400 -0.042 0.000 2.158 398 D HA -0.158 4.003 4.640 -0.799 0.000 0.197 398 D C 1.707 177.974 176.300 -0.055 0.000 0.995 398 D CA 2.117 56.087 54.000 -0.050 0.000 0.846 398 D CB -0.158 40.624 40.800 -0.030 0.000 0.941 398 D HN 0.744 nan 8.370 nan 0.000 0.456 399 T N -1.130 113.390 114.554 -0.057 0.000 2.746 399 T HA -0.152 3.718 4.350 -0.799 0.000 0.267 399 T C 1.782 176.402 174.700 -0.133 0.000 1.039 399 T CA 1.203 63.276 62.100 -0.045 0.000 1.142 399 T CB -0.424 68.445 68.868 0.001 0.000 0.866 399 T HN 0.243 nan 8.240 nan 0.000 0.444 400 E N 0.949 120.969 120.200 -0.300 0.000 2.072 400 E HA 0.004 3.875 4.350 -0.799 0.000 0.191 400 E C 2.139 178.766 176.600 0.046 0.000 0.985 400 E CA 0.877 57.102 56.400 -0.292 0.000 0.801 400 E CB -0.329 29.250 29.700 -0.201 0.000 0.750 400 E HN 0.295 nan 8.360 nan 0.000 0.452 401 L N 1.225 122.420 121.223 -0.047 0.000 2.012 401 L HA -0.188 3.673 4.340 -0.799 0.000 0.210 401 L C 2.072 178.910 176.870 -0.054 0.000 1.073 401 L CA 1.575 56.352 54.840 -0.105 0.000 0.748 401 L CB -0.211 41.742 42.059 -0.177 0.000 0.891 401 L HN 0.118 nan 8.230 nan 0.000 0.431 402 I N -1.867 118.698 120.570 -0.008 0.000 2.142 402 I HA -0.348 3.343 4.170 -0.799 0.000 0.240 402 I C 2.395 178.603 176.117 0.151 0.000 1.078 402 I CA 1.772 63.094 61.300 0.036 0.000 1.343 402 I CB -0.541 37.478 38.000 0.032 0.000 1.046 402 I HN 0.351 nan 8.210 nan 0.000 0.405 403 Y N 1.761 122.122 120.300 0.102 0.000 2.114 403 Y HA -0.256 3.814 4.550 -0.799 0.000 0.282 403 Y C 2.401 178.445 175.900 0.240 0.000 1.165 403 Y CA 1.825 60.042 58.100 0.196 0.000 1.148 403 Y CB -0.793 37.767 38.460 0.166 0.000 0.972 403 Y HN 0.102 nan 8.280 nan 0.000 0.504 404 G N -0.132 108.885 108.800 0.362 0.000 2.446 404 G HA2 -0.289 3.192 3.960 -0.799 0.000 0.217 404 G HA3 -0.289 3.192 3.960 -0.799 0.000 0.217 404 G C 1.788 176.683 174.900 -0.008 0.000 1.168 404 G CA 1.198 46.418 45.100 0.200 0.000 0.771 404 G HN 0.647 nan 8.290 nan 0.000 0.551 405 A N 1.005 123.805 122.820 -0.032 0.000 1.845 405 A HA -0.028 3.812 4.320 -0.799 0.000 0.215 405 A C 2.284 179.928 177.584 0.099 0.000 1.195 405 A CA 2.060 54.068 52.037 -0.048 0.000 0.616 405 A CB -0.527 18.447 19.000 -0.043 0.000 0.832 405 A HN 0.343 nan 8.150 nan 0.000 0.443 406 K N -1.361 119.157 120.400 0.197 0.000 2.127 406 K HA -0.258 3.582 4.320 -0.799 0.000 0.208 406 K C 1.898 178.672 176.600 0.291 0.000 1.047 406 K CA 2.101 58.612 56.287 0.373 0.000 0.927 406 K CB -0.358 32.387 32.500 0.408 0.000 0.716 406 K HN 0.669 nan 8.250 nan 0.000 0.450 407 H N -0.763 118.264 119.070 -0.071 0.000 2.512 407 H HA 0.123 4.199 4.556 -0.799 0.000 0.279 407 H C 1.768 176.973 175.328 -0.205 0.000 0.999 407 H CA 0.866 56.739 56.048 -0.292 0.000 1.283 407 H CB 0.154 29.616 29.762 -0.500 0.000 1.421 407 H HN 0.256 nan 8.280 nan 0.000 0.554 408 A N 0.132 122.901 122.820 -0.085 0.000 1.929 408 A HA -0.165 3.675 4.320 -0.799 0.000 0.216 408 A C 1.979 179.585 177.584 0.036 0.000 1.176 408 A CA 1.143 53.026 52.037 -0.258 0.000 0.628 408 A CB -0.814 17.692 19.000 -0.823 0.000 0.816 408 A HN 0.575 nan 8.150 nan 0.000 0.444 409 W N 1.036 122.362 121.300 0.044 0.000 2.355 409 W HA -0.092 4.091 4.660 -0.795 0.000 0.309 409 W C 2.244 178.726 176.519 -0.061 0.000 1.206 409 W CA 1.490 58.903 57.345 0.114 0.000 1.284 409 W CB -0.574 28.945 29.460 0.099 0.000 1.145 409 W HN 0.272 nan 8.180 nan 0.000 0.502 410 R N 0.326 120.735 120.500 -0.152 0.000 2.159 410 R HA -0.165 3.696 4.340 -0.799 0.000 0.237 410 R C 1.110 177.200 176.300 -0.349 0.000 1.131 410 R CA 1.511 57.246 56.100 -0.609 0.000 0.982 410 R CB -0.489 28.985 30.300 -1.376 0.000 0.868 410 R HN 0.190 nan 8.270 nan 0.000 0.453 411 N N -0.182 118.404 118.700 -0.190 0.000 2.280 411 N HA 0.047 4.307 4.740 -0.799 0.000 0.192 411 N C -0.333 175.137 175.510 -0.067 0.000 1.109 411 N CA 0.249 53.216 53.050 -0.138 0.000 0.855 411 N CB 0.748 39.167 38.487 -0.113 0.000 0.974 411 N HN 0.062 nan 8.380 nan 0.000 0.482 412 A N 1.209 124.044 122.820 0.024 0.000 2.639 412 A HA 0.143 3.984 4.320 -0.799 0.000 0.295 412 A C 1.431 179.006 177.584 -0.016 0.000 1.443 412 A CA -0.146 51.910 52.037 0.033 0.000 1.117 412 A CB -0.402 18.668 19.000 0.117 0.000 1.098 412 A HN 0.280 nan 8.150 nan 0.000 0.552 413 S N 2.464 118.117 115.700 -0.078 0.000 2.465 413 S HA -0.182 3.809 4.470 -0.799 0.000 0.241 413 S C 1.425 175.987 174.600 -0.062 0.000 1.000 413 S CA 1.213 59.369 58.200 -0.073 0.000 0.964 413 S CB -0.218 62.906 63.200 -0.126 0.000 0.763 413 S HN 0.765 nan 8.310 nan 0.000 0.512 414 R N -0.356 120.074 120.500 -0.115 0.000 2.317 414 R HA 0.273 4.133 4.340 -0.799 0.000 0.208 414 R C 0.040 176.353 176.300 0.021 0.000 0.914 414 R CA -0.035 56.012 56.100 -0.088 0.000 1.060 414 R CB -0.107 29.944 30.300 -0.414 0.000 1.015 414 R HN 0.416 nan 8.270 nan 0.000 0.498 415 C N 0.653 119.950 119.300 -0.005 0.000 2.265 415 C HA 0.226 4.206 4.460 -0.799 0.000 0.332 415 C C 1.918 176.868 174.990 -0.067 0.000 1.248 415 C CA -0.693 58.344 59.018 0.032 0.000 1.727 415 C CB 0.504 28.330 27.740 0.143 0.000 2.348 415 C HN 0.299 nan 8.230 nan 0.000 0.519 416 V N 6.282 126.109 119.914 -0.146 0.000 3.041 416 V HA 0.151 3.792 4.120 -0.799 0.000 0.260 416 V C 1.944 178.054 176.094 0.028 0.000 1.105 416 V CA 2.408 64.527 62.300 -0.302 0.000 1.125 416 V CB -0.257 31.410 31.823 -0.260 0.000 0.730 416 V HN 1.083 nan 8.190 nan 0.000 0.479 417 G N -0.474 108.376 108.800 0.082 0.000 2.744 417 G HA2 -0.109 3.372 3.960 -0.799 0.000 0.211 417 G HA3 -0.109 3.372 3.960 -0.799 0.000 0.211 417 G C 1.453 176.407 174.900 0.091 0.000 1.143 417 G CA -0.037 45.135 45.100 0.120 0.000 0.788 417 G HN 0.489 nan 8.290 nan 0.000 0.534 418 R N -0.141 120.367 120.500 0.012 0.000 2.341 418 R HA 0.085 3.946 4.340 -0.799 0.000 0.213 418 R C 2.035 177.822 176.300 -0.855 0.000 1.082 418 R CA 0.193 56.038 56.100 -0.426 0.000 1.017 418 R CB -0.293 29.858 30.300 -0.249 0.000 0.860 418 R HN 0.432 nan 8.270 nan 0.000 0.473 419 I N 0.907 121.086 120.570 -0.653 0.000 2.700 419 I HA -0.246 3.445 4.170 -0.799 0.000 0.261 419 I C 1.255 177.194 176.117 -0.296 0.000 1.219 419 I CA 1.287 62.302 61.300 -0.475 0.000 1.463 419 I CB 0.143 38.094 38.000 -0.081 0.000 1.092 419 I HN 0.231 nan 8.210 nan 0.000 0.452 420 Q N 0.444 120.033 119.800 -0.351 0.000 2.360 420 Q HA -0.093 3.767 4.340 -0.799 0.000 0.202 420 Q C 1.656 177.176 176.000 -0.800 0.000 0.915 420 Q CA 0.361 55.967 55.803 -0.329 0.000 0.943 420 Q CB -0.154 28.589 28.738 0.008 0.000 1.064 420 Q HN 0.787 nan 8.270 nan 0.000 0.511 421 W N 1.358 121.890 121.300 -1.280 0.000 2.331 421 W HA -0.225 3.955 4.660 -0.800 0.000 0.291 421 W C 1.328 177.457 176.519 -0.650 0.000 1.214 421 W CA 1.513 57.861 57.345 -1.662 0.000 1.228 421 W CB -1.075 27.649 29.460 -1.228 0.000 1.135 421 W HN 0.131 nan 8.180 nan 0.000 0.537 422 S N 1.331 116.086 115.700 -1.575 0.000 2.414 422 S HA -0.069 3.922 4.470 -0.799 0.000 0.227 422 S C 0.856 175.143 174.600 -0.522 0.000 1.022 422 S CA 0.609 57.999 58.200 -1.350 0.000 0.958 422 S CB -0.550 61.843 63.200 -1.345 0.000 0.797 422 S HN 0.254 nan 8.310 nan 0.000 0.493 423 K N 1.861 122.064 120.400 -0.329 0.000 2.180 423 K HA 0.506 4.347 4.320 -0.799 0.000 0.250 423 K C -1.121 175.531 176.600 0.087 0.000 1.135 423 K CA -0.239 55.995 56.287 -0.090 0.000 1.037 423 K CB 0.488 32.968 32.500 -0.033 0.000 1.624 423 K HN 0.252 nan 8.250 nan 0.000 0.382 424 L N 1.511 122.782 121.223 0.080 0.000 2.406 424 L HA 0.297 4.158 4.340 -0.799 0.000 0.272 424 L C -1.144 175.706 176.870 -0.034 0.000 0.980 424 L CA -0.663 54.261 54.840 0.139 0.000 0.831 424 L CB 1.885 44.122 42.059 0.297 0.000 1.253 424 L HN 0.300 nan 8.230 nan 0.000 0.406 425 Q N 3.265 122.989 119.800 -0.126 0.000 2.295 425 Q HA 0.500 4.361 4.340 -0.799 0.000 0.259 425 Q C -1.518 174.114 176.000 -0.614 0.000 0.976 425 Q CA 0.038 55.600 55.803 -0.402 0.000 0.923 425 Q CB 1.092 29.517 28.738 -0.522 0.000 1.185 425 Q HN 0.558 nan 8.270 nan 0.000 0.410 426 V N 6.167 125.744 119.914 -0.561 0.000 2.370 426 V HA 0.441 4.082 4.120 -0.799 0.000 0.283 426 V C -0.827 174.959 176.094 -0.514 0.000 1.023 426 V CA -0.592 61.436 62.300 -0.454 0.000 0.857 426 V CB 0.664 32.351 31.823 -0.226 0.000 0.985 426 V HN 0.618 nan 8.190 nan 0.000 0.443 427 F N 2.574 122.406 119.950 -0.197 0.000 2.388 427 F HA 0.400 4.451 4.527 -0.792 0.000 0.358 427 F C 0.412 176.047 175.800 -0.275 0.000 1.122 427 F CA -1.346 56.531 58.000 -0.205 0.000 1.056 427 F CB 1.194 40.089 39.000 -0.175 0.000 1.155 427 F HN 0.407 nan 8.300 nan 0.000 0.461 428 D N 3.209 123.585 120.400 -0.040 0.000 2.393 428 D HA 0.382 4.543 4.640 -0.799 0.000 0.232 428 D C 0.070 176.193 176.300 -0.295 0.000 1.192 428 D CA 0.137 54.027 54.000 -0.183 0.000 0.882 428 D CB 1.099 41.834 40.800 -0.108 0.000 1.038 428 D HN 0.621 nan 8.370 nan 0.000 0.499 429 A N 4.633 127.071 122.820 -0.638 0.000 2.713 429 A HA 0.168 4.009 4.320 -0.799 0.000 0.296 429 A C 1.591 178.807 177.584 -0.614 0.000 1.255 429 A CA -0.408 50.959 52.037 -1.118 0.000 0.955 429 A CB 0.019 17.661 19.000 -2.264 0.000 1.149 429 A HN 0.515 nan 8.150 nan 0.000 0.538 430 R N 0.499 120.795 120.500 -0.340 0.000 2.280 430 R HA -0.082 3.778 4.340 -0.799 0.000 0.207 430 R C 0.677 176.912 176.300 -0.109 0.000 1.043 430 R CA 1.217 57.198 56.100 -0.199 0.000 1.006 430 R CB 0.059 30.292 30.300 -0.111 0.000 0.885 430 R HN 0.677 nan 8.270 nan 0.000 0.467 431 D N -0.736 119.634 120.400 -0.051 0.000 2.340 431 D HA -0.057 4.103 4.640 -0.799 0.000 0.220 431 D C 0.342 176.712 176.300 0.117 0.000 1.039 431 D CA -0.215 53.814 54.000 0.048 0.000 0.866 431 D CB -0.494 40.357 40.800 0.085 0.000 0.913 431 D HN -0.017 nan 8.370 nan 0.000 0.523 432 C N 0.975 120.327 119.300 0.088 0.000 2.605 432 C HA 0.510 4.490 4.460 -0.799 0.000 0.404 432 C C 1.772 176.935 174.990 0.288 0.000 1.284 432 C CA 0.689 59.854 59.018 0.244 0.000 2.199 432 C CB 0.265 28.187 27.740 0.304 0.000 2.647 432 C HN 0.573 nan 8.230 nan 0.000 0.604 433 T N -0.196 114.588 114.554 0.383 0.000 3.028 433 T HA 0.258 4.128 4.350 -0.799 0.000 0.262 433 T C 0.248 175.148 174.700 0.333 0.000 0.916 433 T CA 0.614 62.960 62.100 0.409 0.000 0.873 433 T CB -0.174 68.843 68.868 0.248 0.000 1.232 433 T HN 0.911 nan 8.240 nan 0.000 0.529 434 T N -1.650 113.090 114.554 0.310 0.000 2.883 434 T HA 0.812 4.683 4.350 -0.799 0.000 0.296 434 T C 1.420 176.243 174.700 0.205 0.000 1.117 434 T CA -0.169 62.061 62.100 0.216 0.000 1.006 434 T CB 1.490 70.489 68.868 0.218 0.000 1.191 434 T HN 0.120 nan 8.240 nan 0.000 0.508 435 A N 0.309 123.225 122.820 0.161 0.000 1.902 435 A HA -0.047 3.794 4.320 -0.799 0.000 0.217 435 A C 1.993 179.575 177.584 -0.003 0.000 1.181 435 A CA 1.992 54.092 52.037 0.105 0.000 0.623 435 A CB -1.553 17.575 19.000 0.213 0.000 0.818 435 A HN 1.020 nan 8.150 nan 0.000 0.443 436 H N -0.680 118.496 119.070 0.177 0.000 2.319 436 H HA -0.050 4.869 4.556 0.605 0.000 0.299 436 H C 2.407 177.775 175.328 0.066 0.000 1.092 436 H CA 1.780 57.900 56.048 0.119 0.000 1.302 436 H CB -0.419 29.485 29.762 0.235 0.000 1.373 436 H HN 0.487 nan 8.280 nan 0.000 0.497 437 G N 0.261 109.216 108.800 0.258 0.000 2.491 437 G HA2 -0.333 3.148 3.960 -0.799 0.000 0.218 437 G HA3 -0.333 3.148 3.960 -0.799 0.000 0.218 437 G C 1.650 176.737 174.900 0.312 0.000 1.180 437 G CA 1.373 46.629 45.100 0.260 0.000 0.774 437 G HN 0.301 nan 8.290 nan 0.000 0.562 438 M N -0.574 119.158 119.600 0.220 0.000 2.080 438 M HA 0.000 4.001 4.480 -0.799 0.000 0.260 438 M C 2.341 178.666 176.300 0.043 0.000 1.068 438 M CA 1.468 56.839 55.300 0.119 0.000 1.109 438 M CB -0.455 31.988 32.600 -0.260 0.000 1.342 438 M HN 0.303 nan 8.290 nan 0.000 0.405 439 F N 1.277 120.988 119.950 -0.398 0.000 2.126 439 F HA -0.303 3.849 4.527 -0.625 0.000 0.299 439 F C 2.112 177.800 175.800 -0.187 0.000 1.096 439 F CA 2.059 59.744 58.000 -0.525 0.000 1.255 439 F CB -0.239 38.033 39.000 -1.213 0.000 0.997 439 F HN 0.190 nan 8.300 nan 0.000 0.479 440 N N -0.566 118.021 118.700 -0.188 0.000 2.106 440 N HA -0.236 4.024 4.740 -0.799 0.000 0.188 440 N C 1.851 177.225 175.510 -0.226 0.000 1.029 440 N CA 1.945 54.845 53.050 -0.250 0.000 0.848 440 N CB -0.803 37.607 38.487 -0.128 0.000 1.007 440 N HN 0.464 nan 8.380 nan 0.000 0.423 441 Y N 0.503 120.749 120.300 -0.089 0.000 2.114 441 Y HA -0.176 3.890 4.550 -0.807 0.000 0.282 441 Y C 2.218 178.061 175.900 -0.095 0.000 1.165 441 Y CA 1.443 59.495 58.100 -0.080 0.000 1.148 441 Y CB -0.167 38.335 38.460 0.070 0.000 0.972 441 Y HN 0.139 nan 8.280 nan 0.000 0.504 442 I N -1.552 119.085 120.570 0.111 0.000 2.252 442 I HA -0.351 3.340 4.170 -0.799 0.000 0.245 442 I C 2.328 178.382 176.117 -0.105 0.000 1.102 442 I CA 0.888 62.199 61.300 0.018 0.000 1.385 442 I CB -0.410 37.574 38.000 -0.026 0.000 1.064 442 I HN 0.332 nan 8.210 nan 0.000 0.414 443 C N 0.720 119.841 119.300 -0.298 0.000 2.429 443 C HA -0.142 3.838 4.460 -0.799 0.000 0.277 443 C C 2.605 177.504 174.990 -0.153 0.000 1.262 443 C CA 0.832 59.669 59.018 -0.302 0.000 1.733 443 C CB -1.427 26.015 27.740 -0.497 0.000 2.010 443 C HN 0.552 nan 8.230 nan 0.000 0.483 444 N N -0.042 118.556 118.700 -0.170 0.000 2.120 444 N HA -0.144 4.117 4.740 -0.799 0.000 0.188 444 N C 1.431 176.880 175.510 -0.102 0.000 1.024 444 N CA 1.532 54.476 53.050 -0.177 0.000 0.852 444 N CB -0.829 37.473 38.487 -0.309 0.000 1.003 444 N HN 0.765 nan 8.380 nan 0.000 0.424 445 H N 0.502 119.472 119.070 -0.166 0.000 2.293 445 H HA -0.027 4.050 4.556 -0.798 0.000 0.300 445 H C 1.928 177.334 175.328 0.130 0.000 1.082 445 H CA 1.786 57.859 56.048 0.042 0.000 1.308 445 H CB -0.027 29.796 29.762 0.101 0.000 1.375 445 H HN -0.113 nan 8.280 nan 0.000 0.495 446 V N 0.974 121.070 119.914 0.302 0.000 2.282 446 V HA -0.316 3.325 4.120 -0.799 0.000 0.249 446 V C 2.518 178.701 176.094 0.148 0.000 1.057 446 V CA 2.410 64.828 62.300 0.198 0.000 1.032 446 V CB -0.579 31.271 31.823 0.045 0.000 0.645 446 V HN 0.449 nan 8.190 nan 0.000 0.447 447 K N -1.035 119.423 120.400 0.096 0.000 2.025 447 K HA -0.221 3.620 4.320 -0.799 0.000 0.207 447 K C 2.280 178.934 176.600 0.090 0.000 1.049 447 K CA 1.799 58.124 56.287 0.063 0.000 0.933 447 K CB -0.394 32.121 32.500 0.024 0.000 0.714 447 K HN 0.520 nan 8.250 nan 0.000 0.438 448 Y N 0.724 121.045 120.300 0.034 0.000 2.165 448 Y HA -0.221 3.848 4.550 -0.801 0.000 0.286 448 Y C 1.905 177.856 175.900 0.085 0.000 1.155 448 Y CA 1.824 59.969 58.100 0.074 0.000 1.164 448 Y CB -0.369 38.190 38.460 0.165 0.000 0.978 448 Y HN 0.167 nan 8.280 nan 0.000 0.513 449 A N -0.702 122.219 122.820 0.168 0.000 1.897 449 A HA -0.114 3.727 4.320 -0.799 0.000 0.215 449 A C 2.198 179.802 177.584 0.033 0.000 1.181 449 A CA 2.012 54.109 52.037 0.101 0.000 0.620 449 A CB -1.263 17.878 19.000 0.234 0.000 0.821 449 A HN 0.503 nan 8.150 nan 0.000 0.443 450 T N -0.262 114.327 114.554 0.057 0.000 2.708 450 T HA -0.142 3.729 4.350 -0.799 0.000 0.266 450 T C 1.034 175.724 174.700 -0.016 0.000 1.037 450 T CA 1.157 63.283 62.100 0.043 0.000 1.146 450 T CB -0.558 68.339 68.868 0.048 0.000 0.865 450 T HN 0.739 nan 8.240 nan 0.000 0.435 451 N N 0.878 119.541 118.700 -0.061 0.000 2.727 451 N HA -0.272 3.988 4.740 -0.799 0.000 0.249 451 N C -0.508 174.966 175.510 -0.061 0.000 1.048 451 N CA 0.611 53.601 53.050 -0.099 0.000 0.714 451 N CB -0.709 37.676 38.487 -0.171 0.000 0.959 451 N HN 0.497 nan 8.380 nan 0.000 0.544 452 K N -2.660 117.718 120.400 -0.037 0.000 3.341 452 K HA -0.248 3.593 4.320 -0.799 0.000 0.305 452 K C 0.924 177.501 176.600 -0.038 0.000 1.270 452 K CA 1.037 57.304 56.287 -0.034 0.000 0.897 452 K CB -1.749 30.729 32.500 -0.037 0.000 1.264 452 K HN 0.853 nan 8.250 nan 0.000 0.468 453 G N 0.607 109.389 108.800 -0.030 0.000 2.238 453 G HA2 -0.320 3.161 3.960 -0.799 0.000 0.217 453 G HA3 -0.320 3.161 3.960 -0.799 0.000 0.217 453 G C -0.135 174.745 174.900 -0.033 0.000 0.996 453 G CA 0.113 45.195 45.100 -0.029 0.000 0.632 453 G HN 0.447 nan 8.290 nan 0.000 0.503 454 N N 1.442 120.110 118.700 -0.053 0.000 2.968 454 N HA 0.414 4.674 4.740 -0.799 0.000 0.271 454 N C 0.377 175.850 175.510 -0.061 0.000 1.174 454 N CA -0.803 52.199 53.050 -0.080 0.000 1.096 454 N CB -0.119 38.316 38.487 -0.088 0.000 1.403 454 N HN 0.089 nan 8.380 nan 0.000 0.522 455 L N 2.263 123.481 121.223 -0.008 0.000 2.543 455 L HA 0.059 3.920 4.340 -0.799 0.000 0.285 455 L C 0.781 177.759 176.870 0.181 0.000 1.236 455 L CA 1.054 55.967 54.840 0.122 0.000 0.871 455 L CB 0.099 42.337 42.059 0.299 0.000 1.121 455 L HN 0.467 nan 8.230 nan 0.000 0.501 456 R N 1.120 121.721 120.500 0.168 0.000 2.750 456 R HA 0.485 4.346 4.340 -0.799 0.000 0.281 456 R C -0.600 175.834 176.300 0.223 0.000 0.972 456 R CA -0.741 55.474 56.100 0.191 0.000 0.912 456 R CB 1.844 32.109 30.300 -0.057 0.000 1.187 456 R HN 0.555 nan 8.270 nan 0.000 0.464 457 S N 1.129 116.957 115.700 0.214 0.000 2.523 457 S HA 0.588 4.579 4.470 -0.799 0.000 0.275 457 S C -0.569 174.044 174.600 0.021 0.000 1.281 457 S CA -0.420 57.808 58.200 0.046 0.000 1.050 457 S CB 1.414 64.596 63.200 -0.029 0.000 0.937 457 S HN 0.661 nan 8.310 nan 0.000 0.492 458 A N 2.987 125.776 122.820 -0.051 0.000 2.587 458 A HA 0.848 4.689 4.320 -0.799 0.000 0.293 458 A C -1.236 176.333 177.584 -0.026 0.000 1.087 458 A CA -0.676 51.238 52.037 -0.205 0.000 0.692 458 A CB 1.199 19.942 19.000 -0.429 0.000 1.291 458 A HN 0.820 nan 8.150 nan 0.000 0.407 459 I N 0.440 120.974 120.570 -0.060 0.000 2.686 459 I HA 0.633 4.324 4.170 -0.799 0.000 0.295 459 I C -1.083 175.121 176.117 0.146 0.000 1.114 459 I CA -0.124 61.283 61.300 0.178 0.000 1.038 459 I CB 2.388 40.450 38.000 0.104 0.000 1.238 459 I HN 0.586 nan 8.210 nan 0.000 0.420 460 T N 7.864 122.567 114.554 0.249 0.000 2.779 460 T HA 0.567 4.438 4.350 -0.799 0.000 0.280 460 T C -0.347 174.199 174.700 -0.258 0.000 0.987 460 T CA -0.245 61.863 62.100 0.013 0.000 0.966 460 T CB 0.911 69.799 68.868 0.033 0.000 0.933 460 T HN 0.307 nan 8.240 nan 0.000 0.442 461 I N 4.174 124.480 120.570 -0.440 0.000 2.354 461 I HA 0.403 4.093 4.170 -0.799 0.000 0.286 461 I C -0.503 175.266 176.117 -0.580 0.000 1.007 461 I CA -0.643 60.398 61.300 -0.432 0.000 1.167 461 I CB 0.706 38.401 38.000 -0.507 0.000 1.320 461 I HN 0.475 nan 8.210 nan 0.000 0.458 462 F N 6.645 126.473 119.950 -0.204 0.000 2.362 462 F HA 0.450 4.501 4.527 -0.793 0.000 0.311 462 F C -1.875 173.762 175.800 -0.270 0.000 1.161 462 F CA -2.306 55.495 58.000 -0.332 0.000 1.085 462 F CB -0.030 38.794 39.000 -0.294 0.000 1.311 462 F HN 0.217 nan 8.300 nan 0.000 0.524 463 P HA -0.026 nan 4.420 nan 0.000 0.264 463 P C -0.948 176.369 177.300 0.028 0.000 1.183 463 P CA -0.090 62.870 63.100 -0.234 0.000 0.763 463 P CB 0.215 31.617 31.700 -0.497 0.000 0.807 464 Q N 3.395 123.204 119.800 0.014 0.000 2.524 464 Q HA 0.082 3.943 4.340 -0.799 0.000 0.246 464 Q C 0.167 176.096 176.000 -0.117 0.000 1.063 464 Q CA -0.360 55.250 55.803 -0.321 0.000 0.945 464 Q CB 0.750 29.008 28.738 -0.801 0.000 1.292 464 Q HN 0.341 nan 8.270 nan 0.000 0.518 465 R N 0.189 120.600 120.500 -0.148 0.000 2.694 465 R HA 0.053 3.914 4.340 -0.799 0.000 0.268 465 R C 0.209 176.480 176.300 -0.050 0.000 1.061 465 R CA 0.916 56.998 56.100 -0.030 0.000 1.133 465 R CB 0.592 30.871 30.300 -0.034 0.000 1.020 465 R HN 0.994 nan 8.270 nan 0.000 0.475 466 T N -1.331 113.230 114.554 0.012 0.000 3.463 466 T HA 0.001 3.872 4.350 -0.799 0.000 0.203 466 T C 0.925 175.632 174.700 0.011 0.000 0.955 466 T CA 0.198 62.293 62.100 -0.007 0.000 1.230 466 T CB -0.278 68.577 68.868 -0.021 0.000 1.392 466 T HN 0.715 nan 8.240 nan 0.000 0.361 467 D N 1.182 121.610 120.400 0.047 0.000 2.349 467 D HA 0.259 4.420 4.640 -0.799 0.000 0.214 467 D C 1.624 177.974 176.300 0.085 0.000 1.063 467 D CA 0.702 54.741 54.000 0.066 0.000 0.847 467 D CB -0.305 40.547 40.800 0.086 0.000 0.933 467 D HN 0.943 nan 8.370 nan 0.000 0.513 468 G N 1.185 110.039 108.800 0.090 0.000 2.184 468 G HA2 -0.358 3.122 3.960 -0.799 0.000 0.264 468 G HA3 -0.358 3.122 3.960 -0.799 0.000 0.264 468 G C 0.997 175.935 174.900 0.062 0.000 0.975 468 G CA 0.564 45.702 45.100 0.064 0.000 0.642 468 G HN 0.473 nan 8.290 nan 0.000 0.536 469 K N -0.631 119.841 120.400 0.120 0.000 2.358 469 K HA 0.225 4.066 4.320 -0.799 0.000 0.200 469 K C 0.462 176.912 176.600 -0.250 0.000 1.030 469 K CA 0.330 56.597 56.287 -0.032 0.000 1.097 469 K CB 0.386 32.861 32.500 -0.041 0.000 0.862 469 K HN 0.524 nan 8.250 nan 0.000 0.534 470 H N 0.338 119.408 119.070 0.000 0.000 2.587 470 H HA 0.195 4.271 4.556 -0.800 0.000 0.245 470 H C -1.139 174.180 175.328 -0.015 0.000 1.238 470 H CA -0.889 55.145 56.048 -0.023 0.000 0.963 470 H CB 0.094 29.859 29.762 0.006 0.000 1.904 470 H HN -0.032 nan 8.280 nan 0.000 0.584 471 D N 0.560 121.006 120.400 0.076 0.000 2.424 471 D HA 0.026 4.187 4.640 -0.799 0.000 0.244 471 D C 0.029 176.352 176.300 0.039 0.000 1.134 471 D CA 0.230 54.301 54.000 0.119 0.000 0.881 471 D CB 0.527 41.383 40.800 0.092 0.000 1.191 471 D HN 0.123 nan 8.370 nan 0.000 0.445 472 F N 2.389 122.380 119.950 0.069 0.000 2.410 472 F HA 0.344 4.387 4.527 -0.807 0.000 0.348 472 F C 1.110 176.934 175.800 0.041 0.000 1.106 472 F CA -0.121 57.898 58.000 0.031 0.000 1.163 472 F CB 0.663 39.678 39.000 0.025 0.000 1.129 472 F HN -0.149 nan 8.300 nan 0.000 0.516 473 R N 1.850 122.452 120.500 0.170 0.000 2.651 473 R HA 0.532 4.393 4.340 -0.799 0.000 0.278 473 R C -1.668 174.760 176.300 0.212 0.000 1.010 473 R CA -0.962 55.252 56.100 0.189 0.000 0.896 473 R CB 2.090 32.522 30.300 0.219 0.000 1.211 473 R HN 0.365 nan 8.270 nan 0.000 0.456 474 V N 2.903 122.920 119.914 0.172 0.000 2.383 474 V HA 0.181 3.822 4.120 -0.799 0.000 0.275 474 V C 0.360 176.639 176.094 0.309 0.000 1.036 474 V CA -0.477 61.934 62.300 0.184 0.000 0.889 474 V CB 1.287 33.143 31.823 0.055 0.000 0.985 474 V HN 0.745 nan 8.190 nan 0.000 0.459 475 W N 2.111 123.460 121.300 0.082 0.000 2.584 475 W HA 0.081 4.278 4.660 -0.771 0.000 0.264 475 W C 0.940 177.510 176.519 0.085 0.000 1.264 475 W CA -0.433 57.056 57.345 0.241 0.000 1.306 475 W CB -0.580 29.141 29.460 0.436 0.000 1.110 475 W HN 0.521 nan 8.180 nan 0.000 0.606 476 N N -0.127 118.587 118.700 0.024 0.000 2.482 476 N HA 0.033 4.293 4.740 -0.799 0.000 0.260 476 N C 1.176 176.504 175.510 -0.305 0.000 1.236 476 N CA 0.725 53.449 53.050 -0.542 0.000 0.938 476 N CB 0.697 38.980 38.487 -0.341 0.000 1.128 476 N HN -0.153 nan 8.380 nan 0.000 0.448 477 S N -0.017 115.475 115.700 -0.346 0.000 2.458 477 S HA 0.043 4.033 4.470 -0.799 0.000 0.223 477 S C 0.278 174.767 174.600 -0.185 0.000 1.019 477 S CA 0.380 58.471 58.200 -0.182 0.000 0.937 477 S CB 0.047 63.185 63.200 -0.102 0.000 0.788 477 S HN 0.613 nan 8.310 nan 0.000 0.511 478 Q N -0.343 119.326 119.800 -0.220 0.000 2.423 478 Q HA 0.527 4.387 4.340 -0.799 0.000 0.278 478 Q C 0.303 176.144 176.000 -0.264 0.000 1.097 478 Q CA -0.555 55.109 55.803 -0.232 0.000 0.809 478 Q CB 1.962 30.601 28.738 -0.165 0.000 1.391 478 Q HN 0.061 nan 8.270 nan 0.000 0.428 479 L N 0.558 121.623 121.223 -0.263 0.000 2.012 479 L HA -0.083 3.778 4.340 -0.799 0.000 0.210 479 L C 0.581 177.287 176.870 -0.272 0.000 1.073 479 L CA 1.452 56.153 54.840 -0.231 0.000 0.748 479 L CB -0.166 41.757 42.059 -0.228 0.000 0.891 479 L HN 0.517 nan 8.230 nan 0.000 0.431 480 I N -0.397 119.929 120.570 -0.407 0.000 2.389 480 I HA 0.371 4.062 4.170 -0.799 0.000 0.288 480 I C -0.163 175.345 176.117 -1.015 0.000 0.999 480 I CA -0.288 60.629 61.300 -0.640 0.000 1.129 480 I CB 1.634 39.206 38.000 -0.714 0.000 1.288 480 I HN 0.080 nan 8.210 nan 0.000 0.444 481 R N 4.103 124.133 120.500 -0.783 0.000 2.710 481 R HA 0.481 4.341 4.340 -0.799 0.000 0.270 481 R C -1.642 174.392 176.300 -0.444 0.000 1.021 481 R CA -0.952 54.755 56.100 -0.654 0.000 0.889 481 R CB 2.509 32.658 30.300 -0.252 0.000 1.243 481 R HN 0.395 nan 8.270 nan 0.000 0.464 482 Y N 0.345 120.651 120.300 0.010 0.000 2.307 482 Y HA 0.458 4.529 4.550 -0.798 0.000 0.324 482 Y C 0.899 176.856 175.900 0.095 0.000 1.238 482 Y CA -0.580 57.588 58.100 0.114 0.000 1.280 482 Y CB 1.138 39.756 38.460 0.263 0.000 1.248 482 Y HN 0.580 nan 8.280 nan 0.000 0.508 483 A N 1.222 124.180 122.820 0.230 0.000 2.313 483 A HA 0.671 4.512 4.320 -0.799 0.000 0.261 483 A C 0.300 177.733 177.584 -0.253 0.000 1.090 483 A CA 0.077 52.093 52.037 -0.036 0.000 0.807 483 A CB -0.021 18.948 19.000 -0.053 0.000 1.055 483 A HN 0.890 nan 8.150 nan 0.000 0.492 484 G N -0.301 108.260 108.800 -0.399 0.000 2.626 484 G HA2 0.568 4.049 3.960 -0.799 0.000 0.304 484 G HA3 0.568 4.049 3.960 -0.799 0.000 0.304 484 G C -1.334 173.312 174.900 -0.422 0.000 1.385 484 G CA -0.241 44.654 45.100 -0.341 0.000 0.957 484 G HN 0.523 nan 8.290 nan 0.000 0.504 485 Y N 1.134 121.462 120.300 0.047 0.000 2.328 485 Y HA 0.443 4.512 4.550 -0.801 0.000 0.336 485 Y C 0.555 176.459 175.900 0.006 0.000 0.960 485 Y CA -0.981 57.138 58.100 0.031 0.000 1.134 485 Y CB 2.431 40.905 38.460 0.024 0.000 1.166 485 Y HN 0.400 nan 8.280 nan 0.000 0.464 486 K N 4.052 124.533 120.400 0.136 0.000 2.273 486 K HA 0.189 4.030 4.320 -0.799 0.000 0.287 486 K C -0.403 176.237 176.600 0.067 0.000 1.089 486 K CA -0.227 56.105 56.287 0.075 0.000 0.909 486 K CB 0.454 32.981 32.500 0.045 0.000 1.123 486 K HN 0.722 nan 8.250 nan 0.000 0.473 487 Q N 3.648 123.479 119.800 0.053 0.000 2.417 487 Q HA 0.058 3.918 4.340 -0.799 0.000 0.241 487 Q C -1.672 174.338 176.000 0.016 0.000 1.008 487 Q CA -1.791 54.029 55.803 0.029 0.000 0.901 487 Q CB 0.643 29.393 28.738 0.019 0.000 1.259 487 Q HN 0.459 nan 8.270 nan 0.000 0.489 488 P HA -0.164 nan 4.420 nan 0.000 0.218 488 P C 0.336 177.638 177.300 0.003 0.000 1.149 488 P CA 1.226 64.328 63.100 0.003 0.000 0.817 488 P CB 0.080 31.778 31.700 -0.004 0.000 0.785 489 D N -1.334 119.067 120.400 0.002 0.000 2.378 489 D HA -0.028 4.133 4.640 -0.799 0.000 0.222 489 D C 1.516 177.819 176.300 0.005 0.000 0.980 489 D CA 1.220 55.221 54.000 0.002 0.000 0.907 489 D CB -0.950 39.850 40.800 -0.000 0.000 0.899 489 D HN 0.282 nan 8.370 nan 0.000 0.527 490 G N -0.327 108.478 108.800 0.008 0.000 2.254 490 G HA2 -0.281 3.199 3.960 -0.799 0.000 0.225 490 G HA3 -0.281 3.199 3.960 -0.799 0.000 0.225 490 G C 0.528 175.435 174.900 0.011 0.000 1.003 490 G CA 0.409 45.516 45.100 0.010 0.000 0.622 490 G HN 0.869 nan 8.290 nan 0.000 0.507 491 S N -0.174 115.532 115.700 0.010 0.000 2.617 491 S HA 0.640 4.631 4.470 -0.799 0.000 0.259 491 S C 0.072 174.680 174.600 0.012 0.000 1.301 491 S CA 0.969 59.174 58.200 0.008 0.000 0.984 491 S CB 1.599 64.802 63.200 0.006 0.000 0.954 491 S HN 0.744 nan 8.310 nan 0.000 0.572 492 T N 1.389 115.944 114.554 0.002 0.000 2.848 492 T HA 0.522 4.393 4.350 -0.799 0.000 0.285 492 T C -0.982 173.715 174.700 -0.004 0.000 0.995 492 T CA -0.519 61.583 62.100 0.003 0.000 0.970 492 T CB 1.187 70.040 68.868 -0.024 0.000 0.976 492 T HN 0.597 nan 8.240 nan 0.000 0.441 493 L N 3.497 124.755 121.223 0.059 0.000 2.307 493 L HA 0.741 4.601 4.340 -0.799 0.000 0.282 493 L C 0.861 177.771 176.870 0.066 0.000 1.051 493 L CA 1.222 56.116 54.840 0.089 0.000 0.804 493 L CB 0.158 42.328 42.059 0.185 0.000 1.197 493 L HN 0.965 nan 8.230 nan 0.000 0.431 494 G N 3.891 112.663 108.800 -0.048 0.000 2.509 494 G HA2 -0.269 3.212 3.960 -0.799 0.000 0.259 494 G HA3 -0.269 3.212 3.960 -0.799 0.000 0.259 494 G C -0.506 174.114 174.900 -0.466 0.000 1.169 494 G CA 0.194 45.213 45.100 -0.136 0.000 0.953 494 G HN 0.851 nan 8.290 nan 0.000 0.563 495 D N 1.784 122.052 120.400 -0.220 0.000 2.412 495 D HA 0.545 4.706 4.640 -0.799 0.000 0.224 495 D C -1.120 175.129 176.300 -0.086 0.000 1.093 495 D CA -1.922 51.959 54.000 -0.198 0.000 0.850 495 D CB 1.370 42.389 40.800 0.366 0.000 1.046 495 D HN -0.017 nan 8.370 nan 0.000 0.507 496 P HA -0.107 nan 4.420 nan 0.000 0.221 496 P C 0.993 178.307 177.300 0.023 0.000 1.145 496 P CA 0.871 63.944 63.100 -0.044 0.000 0.795 496 P CB 0.253 31.926 31.700 -0.045 0.000 0.775 497 A N -0.453 122.407 122.820 0.068 0.000 2.070 497 A HA -0.156 3.684 4.320 -0.799 0.000 0.220 497 A C 1.743 179.390 177.584 0.106 0.000 1.159 497 A CA 1.532 53.632 52.037 0.104 0.000 0.656 497 A CB -0.812 18.280 19.000 0.153 0.000 0.800 497 A HN 0.179 nan 8.150 nan 0.000 0.453 498 N N -0.943 117.813 118.700 0.094 0.000 2.177 498 N HA 0.117 4.377 4.740 -0.799 0.000 0.218 498 N C 1.158 176.713 175.510 0.075 0.000 1.182 498 N CA 0.267 53.384 53.050 0.111 0.000 0.882 498 N CB 0.596 39.157 38.487 0.123 0.000 1.052 498 N HN 0.169 nan 8.380 nan 0.000 0.519 499 V N 1.474 121.403 119.914 0.026 0.000 2.282 499 V HA -0.291 3.350 4.120 -0.799 0.000 0.249 499 V C 2.627 178.717 176.094 -0.007 0.000 1.057 499 V CA 1.970 64.265 62.300 -0.009 0.000 1.032 499 V CB -0.331 31.493 31.823 0.002 0.000 0.645 499 V HN 0.397 nan 8.190 nan 0.000 0.447 500 Q N -1.254 118.550 119.800 0.005 0.000 2.079 500 Q HA -0.223 3.637 4.340 -0.799 0.000 0.200 500 Q C 2.182 178.078 176.000 -0.174 0.000 0.974 500 Q CA 2.013 57.775 55.803 -0.069 0.000 0.840 500 Q CB -0.184 28.531 28.738 -0.038 0.000 0.898 500 Q HN 0.637 nan 8.270 nan 0.000 0.430 501 F N 0.991 120.786 119.950 -0.258 0.000 2.171 501 F HA -0.164 3.880 4.527 -0.806 0.000 0.300 501 F C 2.085 177.784 175.800 -0.169 0.000 1.090 501 F CA 1.847 59.668 58.000 -0.298 0.000 1.293 501 F CB -0.475 38.440 39.000 -0.141 0.000 1.013 501 F HN 0.001 nan 8.300 nan 0.000 0.486 502 T N 0.054 114.550 114.554 -0.096 0.000 2.759 502 T HA -0.213 3.658 4.350 -0.799 0.000 0.269 502 T C 1.692 176.348 174.700 -0.074 0.000 1.042 502 T CA 1.860 63.898 62.100 -0.103 0.000 1.140 502 T CB -0.326 68.506 68.868 -0.061 0.000 0.864 502 T HN 0.393 nan 8.240 nan 0.000 0.455 503 E N 0.314 120.458 120.200 -0.093 0.000 2.150 503 E HA 0.003 3.874 4.350 -0.799 0.000 0.193 503 E C 2.071 178.596 176.600 -0.125 0.000 0.985 503 E CA 0.660 57.020 56.400 -0.066 0.000 0.814 503 E CB -0.164 29.496 29.700 -0.066 0.000 0.752 503 E HN 0.491 nan 8.360 nan 0.000 0.466 504 I N 0.332 120.754 120.570 -0.247 0.000 2.233 504 I HA -0.281 3.409 4.170 -0.799 0.000 0.243 504 I C 2.291 178.276 176.117 -0.220 0.000 1.093 504 I CA 0.448 61.608 61.300 -0.235 0.000 1.380 504 I CB -0.235 37.586 38.000 -0.299 0.000 1.067 504 I HN 0.262 nan 8.210 nan 0.000 0.413 505 C N 1.054 120.136 119.300 -0.365 0.000 2.388 505 C HA -0.200 3.781 4.460 -0.799 0.000 0.277 505 C C 2.721 177.732 174.990 0.035 0.000 1.210 505 C CA 0.787 59.655 59.018 -0.249 0.000 1.743 505 C CB -0.860 26.642 27.740 -0.396 0.000 2.047 505 C HN 0.410 nan 8.230 nan 0.000 0.458 506 I N 0.447 121.103 120.570 0.144 0.000 2.087 506 I HA -0.357 3.334 4.170 -0.799 0.000 0.240 506 I C 2.781 178.916 176.117 0.031 0.000 1.054 506 I CA 2.224 63.608 61.300 0.141 0.000 1.311 506 I CB -0.805 37.264 38.000 0.116 0.000 1.024 506 I HN 0.513 nan 8.210 nan 0.000 0.402 507 Q N 0.365 120.154 119.800 -0.018 0.000 2.248 507 Q HA -0.253 3.608 4.340 -0.799 0.000 0.208 507 Q C 1.801 177.764 176.000 -0.061 0.000 0.984 507 Q CA 1.345 57.117 55.803 -0.053 0.000 0.875 507 Q CB 0.110 28.801 28.738 -0.079 0.000 0.910 507 Q HN 0.500 nan 8.270 nan 0.000 0.433 508 Q N -1.639 118.132 119.800 -0.048 0.000 2.319 508 Q HA 0.138 3.998 4.340 -0.799 0.000 0.202 508 Q C 0.792 176.770 176.000 -0.036 0.000 0.896 508 Q CA 0.829 56.600 55.803 -0.052 0.000 0.942 508 Q CB 1.527 30.225 28.738 -0.066 0.000 1.083 508 Q HN 0.584 nan 8.270 nan 0.000 0.510 509 G N -0.105 108.693 108.800 -0.002 0.000 2.260 509 G HA2 -0.193 3.287 3.960 -0.799 0.000 0.179 509 G HA3 -0.193 3.287 3.960 -0.799 0.000 0.179 509 G C -0.493 174.448 174.900 0.069 0.000 1.002 509 G CA -0.416 44.687 45.100 0.005 0.000 0.677 509 G HN 0.264 nan 8.290 nan 0.000 0.486 510 W N 4.396 125.640 121.300 -0.094 0.000 2.322 510 W HA 0.553 4.730 4.660 -0.804 0.000 0.328 510 W C 0.360 176.855 176.519 -0.040 0.000 1.395 510 W CA -0.510 56.793 57.345 -0.070 0.000 1.267 510 W CB 0.640 30.058 29.460 -0.069 0.000 1.259 510 W HN -0.043 nan 8.180 nan 0.000 0.560 511 K N 6.794 126.911 120.400 -0.472 0.000 2.219 511 K HA 0.369 4.210 4.320 -0.799 0.000 0.280 511 K C -0.058 175.935 176.600 -1.010 0.000 1.104 511 K CA -0.200 55.767 56.287 -0.533 0.000 0.925 511 K CB 0.074 32.392 32.500 -0.303 0.000 1.261 511 K HN 0.490 nan 8.250 nan 0.000 0.445 512 A N 4.590 126.821 122.820 -0.982 0.000 2.354 512 A HA 0.293 4.133 4.320 -0.799 0.000 0.281 512 A C -1.357 175.863 177.584 -0.607 0.000 1.174 512 A CA -1.137 50.209 52.037 -1.151 0.000 0.828 512 A CB 0.255 18.901 19.000 -0.591 0.000 1.099 512 A HN 0.362 nan 8.150 nan 0.000 0.516 513 P HA -0.078 nan 4.420 nan 0.000 0.223 513 P C -0.189 176.951 177.300 -0.267 0.000 1.151 513 P CA 0.268 63.232 63.100 -0.227 0.000 0.787 513 P CB 0.033 31.704 31.700 -0.048 0.000 0.788 514 R N -0.762 119.465 120.500 -0.454 0.000 2.994 514 R HA -0.075 3.786 4.340 -0.799 0.000 0.267 514 R C 0.411 176.565 176.300 -0.243 0.000 0.914 514 R CA 0.535 56.119 56.100 -0.860 0.000 0.668 514 R CB -2.383 27.451 30.300 -0.777 0.000 1.524 514 R HN 0.380 nan 8.270 nan 0.000 0.478 515 G N -0.392 108.479 108.800 0.119 0.000 2.818 515 G HA2 0.460 3.940 3.960 -0.799 0.000 0.286 515 G HA3 0.460 3.940 3.960 -0.799 0.000 0.286 515 G C 0.101 175.129 174.900 0.214 0.000 1.364 515 G CA -0.777 44.414 45.100 0.151 0.000 0.938 515 G HN 0.288 nan 8.290 nan 0.000 0.490 516 R N -1.272 119.262 120.500 0.057 0.000 2.299 516 R HA 0.235 4.096 4.340 -0.799 0.000 0.197 516 R C -0.299 175.619 176.300 -0.636 0.000 0.971 516 R CA 0.651 56.622 56.100 -0.215 0.000 1.030 516 R CB -0.131 29.992 30.300 -0.296 0.000 0.932 516 R HN 0.347 nan 8.270 nan 0.000 0.477 517 F N 0.296 120.299 119.950 0.089 0.000 2.577 517 F HA 0.237 4.284 4.527 -0.801 0.000 0.359 517 F C -1.158 174.718 175.800 0.126 0.000 1.535 517 F CA -1.174 56.687 58.000 -0.231 0.000 1.093 517 F CB 0.829 39.504 39.000 -0.542 0.000 1.613 517 F HN -0.183 nan 8.300 nan 0.000 0.558 518 D N 1.773 122.446 120.400 0.456 0.000 2.316 518 D HA 0.213 4.374 4.640 -0.799 0.000 0.245 518 D C 0.235 176.855 176.300 0.532 0.000 1.171 518 D CA 0.034 54.339 54.000 0.508 0.000 0.856 518 D CB 2.070 43.225 40.800 0.593 0.000 1.090 518 D HN -0.048 nan 8.370 nan 0.000 0.476 519 V N 3.654 123.825 119.914 0.428 0.000 2.540 519 V HA -0.064 3.577 4.120 -0.799 0.000 0.297 519 V C 1.021 177.180 176.094 0.108 0.000 1.024 519 V CA -0.063 62.350 62.300 0.190 0.000 1.105 519 V CB -0.006 31.880 31.823 0.105 0.000 0.938 519 V HN 0.373 nan 8.190 nan 0.000 0.482 520 L N 8.124 129.303 121.223 -0.074 0.000 2.452 520 L HA 0.313 4.174 4.340 -0.799 0.000 0.267 520 L C -1.895 174.764 176.870 -0.352 0.000 1.188 520 L CA -1.364 53.276 54.840 -0.333 0.000 0.821 520 L CB 0.668 42.641 42.059 -0.144 0.000 1.102 520 L HN 0.487 nan 8.230 nan 0.000 0.470 521 P HA 0.185 nan 4.420 nan 0.000 0.277 521 P C -0.802 176.418 177.300 -0.134 0.000 1.240 521 P CA -0.421 62.440 63.100 -0.400 0.000 0.798 521 P CB 0.533 31.817 31.700 -0.693 0.000 0.979 522 L N 1.977 123.214 121.223 0.023 0.000 2.426 522 L HA 0.237 4.098 4.340 -0.799 0.000 0.271 522 L C 0.393 177.342 176.870 0.132 0.000 1.169 522 L CA -0.316 54.599 54.840 0.124 0.000 0.836 522 L CB 0.139 42.320 42.059 0.204 0.000 1.112 522 L HN 0.258 nan 8.230 nan 0.000 0.465 523 L N 5.010 126.335 121.223 0.170 0.000 2.388 523 L HA 0.492 4.353 4.340 -0.799 0.000 0.267 523 L C -1.000 175.859 176.870 -0.019 0.000 0.995 523 L CA 0.065 54.934 54.840 0.048 0.000 0.864 523 L CB 0.971 43.080 42.059 0.083 0.000 1.216 523 L HN 0.347 nan 8.230 nan 0.000 0.430 524 L N 4.086 125.290 121.223 -0.033 0.000 2.329 524 L HA 0.606 4.467 4.340 -0.799 0.000 0.279 524 L C -0.342 176.415 176.870 -0.189 0.000 1.014 524 L CA -0.545 54.258 54.840 -0.062 0.000 0.814 524 L CB 1.865 43.913 42.059 -0.019 0.000 1.257 524 L HN 0.584 nan 8.230 nan 0.000 0.424 525 Q N 2.912 122.598 119.800 -0.190 0.000 2.341 525 Q HA 0.726 4.587 4.340 -0.799 0.000 0.268 525 Q C -1.456 174.405 176.000 -0.232 0.000 1.013 525 Q CA -0.608 55.057 55.803 -0.230 0.000 0.798 525 Q CB 2.066 30.709 28.738 -0.159 0.000 1.253 525 Q HN 0.783 nan 8.270 nan 0.000 0.457 526 A N 4.112 126.740 122.820 -0.321 0.000 2.330 526 A HA 0.391 4.232 4.320 -0.799 0.000 0.327 526 A C 0.183 177.314 177.584 -0.756 0.000 1.155 526 A CA -0.298 51.318 52.037 -0.701 0.000 0.803 526 A CB 0.660 19.475 19.000 -0.309 0.000 1.208 526 A HN 1.172 nan 8.150 nan 0.000 0.477 527 N N 0.599 118.517 118.700 -1.304 0.000 2.753 527 N HA -0.266 3.995 4.740 -0.799 0.000 0.251 527 N C 0.986 176.358 175.510 -0.231 0.000 1.097 527 N CA 1.361 54.092 53.050 -0.531 0.000 0.786 527 N CB -0.586 37.769 38.487 -0.221 0.000 1.137 527 N HN 2.145 nan 8.380 nan 0.000 0.566 528 G N -1.453 107.197 108.800 -0.251 0.000 2.194 528 G HA2 -0.279 3.202 3.960 -0.799 0.000 0.236 528 G HA3 -0.279 3.202 3.960 -0.799 0.000 0.236 528 G C 0.075 174.929 174.900 -0.077 0.000 0.987 528 G CA 0.260 45.268 45.100 -0.153 0.000 0.635 528 G HN 0.452 nan 8.290 nan 0.000 0.520 529 N N 1.618 120.240 118.700 -0.131 0.000 2.371 529 N HA 0.268 4.529 4.740 -0.799 0.000 0.243 529 N C 0.013 175.435 175.510 -0.147 0.000 1.287 529 N CA 0.055 53.048 53.050 -0.094 0.000 0.911 529 N CB 0.242 38.670 38.487 -0.099 0.000 1.142 529 N HN 0.254 nan 8.380 nan 0.000 0.451 530 D N 0.918 121.236 120.400 -0.136 0.000 2.449 530 D HA 0.130 4.290 4.640 -0.799 0.000 0.236 530 D C -1.998 174.040 176.300 -0.437 0.000 1.149 530 D CA -0.352 53.445 54.000 -0.339 0.000 0.878 530 D CB -0.107 40.658 40.800 -0.058 0.000 1.198 530 D HN 0.241 nan 8.370 nan 0.000 0.446 531 P HA 0.197 nan 4.420 nan 0.000 0.274 531 P C -0.694 176.365 177.300 -0.402 0.000 1.231 531 P CA -0.186 62.483 63.100 -0.718 0.000 0.790 531 P CB 0.783 31.656 31.700 -1.378 0.000 0.951 532 E N 0.725 120.752 120.200 -0.288 0.000 2.288 532 E HA 0.462 4.332 4.350 -0.799 0.000 0.268 532 E C -0.677 175.694 176.600 -0.382 0.000 0.885 532 E CA -0.889 55.322 56.400 -0.317 0.000 0.767 532 E CB 1.612 31.115 29.700 -0.329 0.000 1.220 532 E HN 0.278 nan 8.360 nan 0.000 0.427 533 L N 1.982 122.879 121.223 -0.544 0.000 2.357 533 L HA 0.526 4.387 4.340 -0.799 0.000 0.273 533 L C -0.853 175.489 176.870 -0.881 0.000 1.080 533 L CA -0.383 54.183 54.840 -0.457 0.000 0.803 533 L CB 0.292 42.179 42.059 -0.287 0.000 1.174 533 L HN 0.457 nan 8.230 nan 0.000 0.443 534 F N 0.185 119.948 119.950 -0.312 0.000 2.604 534 F HA 0.283 3.861 4.527 -1.582 0.000 0.316 534 F C -0.148 175.488 175.800 -0.274 0.000 1.136 534 F CA -0.645 57.043 58.000 -0.521 0.000 0.989 534 F CB 1.707 40.060 39.000 -1.078 0.000 1.258 534 F HN 0.367 nan 8.300 nan 0.000 0.451 535 Q N 3.990 123.770 119.800 -0.033 0.000 2.267 535 Q HA 0.510 4.370 4.340 -0.799 0.000 0.255 535 Q C -0.641 175.531 176.000 0.287 0.000 0.923 535 Q CA -0.457 55.415 55.803 0.114 0.000 0.925 535 Q CB 0.990 29.806 28.738 0.130 0.000 1.195 535 Q HN 0.705 nan 8.270 nan 0.000 0.417 536 I N 6.369 127.114 120.570 0.292 0.000 2.533 536 I HA 0.112 3.803 4.170 -0.799 0.000 0.284 536 I C -1.926 174.312 176.117 0.202 0.000 1.109 536 I CA -2.020 59.452 61.300 0.286 0.000 1.412 536 I CB 0.449 38.526 38.000 0.128 0.000 1.396 536 I HN 0.489 nan 8.210 nan 0.000 0.543 537 P HA -0.006 nan 4.420 nan 0.000 0.256 537 P C -1.990 175.367 177.300 0.096 0.000 1.173 537 P CA -0.672 62.509 63.100 0.135 0.000 0.768 537 P CB 0.026 31.785 31.700 0.098 0.000 0.758 538 P HA -0.226 nan 4.420 nan 0.000 0.216 538 P C 1.417 178.755 177.300 0.064 0.000 1.150 538 P CA 1.381 64.532 63.100 0.085 0.000 0.843 538 P CB -0.249 31.505 31.700 0.090 0.000 0.787 539 E N -0.001 120.233 120.200 0.057 0.000 2.396 539 E HA -0.157 3.714 4.350 -0.799 0.000 0.200 539 E C 1.512 178.131 176.600 0.033 0.000 1.023 539 E CA 1.034 57.459 56.400 0.041 0.000 0.857 539 E CB -1.023 28.699 29.700 0.037 0.000 0.775 539 E HN 0.339 nan 8.360 nan 0.000 0.525 540 L N 0.876 122.120 121.223 0.035 0.000 2.585 540 L HA 0.140 4.001 4.340 -0.799 0.000 0.226 540 L C 0.463 177.348 176.870 0.025 0.000 1.113 540 L CA -0.094 54.760 54.840 0.024 0.000 0.876 540 L CB 0.831 42.897 42.059 0.012 0.000 1.072 540 L HN -0.109 nan 8.230 nan 0.000 0.468 541 V N 2.058 121.991 119.914 0.032 0.000 2.240 541 V HA 0.145 3.786 4.120 -0.799 0.000 0.265 541 V C 0.110 176.231 176.094 0.045 0.000 1.073 541 V CA -0.597 61.721 62.300 0.031 0.000 0.857 541 V CB 1.024 32.864 31.823 0.029 0.000 1.114 541 V HN 0.072 nan 8.190 nan 0.000 0.469 542 L N 4.498 125.747 121.223 0.044 0.000 2.499 542 L HA 0.335 4.196 4.340 -0.799 0.000 0.273 542 L C 0.176 177.071 176.870 0.042 0.000 1.195 542 L CA 1.018 55.875 54.840 0.028 0.000 0.882 542 L CB 0.160 42.228 42.059 0.015 0.000 1.133 542 L HN 0.636 nan 8.230 nan 0.000 0.483 543 E N 3.087 123.291 120.200 0.007 0.000 2.343 543 E HA 0.599 4.470 4.350 -0.799 0.000 0.270 543 E C -1.532 175.011 176.600 -0.095 0.000 0.895 543 E CA -0.966 55.442 56.400 0.013 0.000 0.767 543 E CB 2.408 32.156 29.700 0.079 0.000 1.248 543 E HN 0.391 nan 8.360 nan 0.000 0.440 544 V N 2.963 122.798 119.914 -0.131 0.000 2.407 544 V HA 0.330 3.970 4.120 -0.799 0.000 0.291 544 V C -2.439 173.639 176.094 -0.027 0.000 1.018 544 V CA -2.121 60.059 62.300 -0.200 0.000 0.842 544 V CB 1.262 32.726 31.823 -0.599 0.000 0.996 544 V HN 0.537 nan 8.190 nan 0.000 0.426 545 P HA 0.256 nan 4.420 nan 0.000 0.271 545 P C -0.696 176.653 177.300 0.081 0.000 1.220 545 P CA -0.151 62.959 63.100 0.017 0.000 0.768 545 P CB 0.461 32.167 31.700 0.009 0.000 0.848 546 I N 4.493 125.148 120.570 0.143 0.000 2.304 546 I HA 0.320 4.011 4.170 -0.799 0.000 0.291 546 I C 1.088 177.385 176.117 0.300 0.000 1.018 546 I CA -0.261 61.183 61.300 0.241 0.000 1.260 546 I CB -0.027 38.187 38.000 0.358 0.000 1.390 546 I HN 0.444 nan 8.210 nan 0.000 0.475 547 R N 4.943 125.557 120.500 0.189 0.000 2.837 547 R HA 0.529 4.390 4.340 -0.799 0.000 0.271 547 R C -1.120 175.144 176.300 -0.060 0.000 0.993 547 R CA -0.765 55.440 56.100 0.174 0.000 0.931 547 R CB 2.401 32.801 30.300 0.167 0.000 1.206 547 R HN 0.513 nan 8.270 nan 0.000 0.474 548 H N 2.025 120.901 119.070 -0.323 0.000 2.457 548 H HA 0.291 4.367 4.556 -0.799 0.000 0.335 548 H C -1.940 173.080 175.328 -0.513 0.000 1.115 548 H CA -2.190 53.504 56.048 -0.589 0.000 1.219 548 H CB 2.331 31.596 29.762 -0.828 0.000 1.471 548 H HN 0.381 nan 8.280 nan 0.000 0.491 549 P HA 0.012 nan 4.420 nan 0.000 0.230 549 P C 0.327 177.400 177.300 -0.377 0.000 1.158 549 P CA 1.171 63.671 63.100 -1.001 0.000 0.769 549 P CB 0.499 31.343 31.700 -1.426 0.000 0.807 550 K N -2.786 117.554 120.400 -0.101 0.000 2.544 550 K HA 0.208 4.049 4.320 -0.799 0.000 0.213 550 K C 0.080 176.687 176.600 0.011 0.000 1.392 550 K CA -0.073 56.156 56.287 -0.097 0.000 0.980 550 K CB 0.622 33.013 32.500 -0.182 0.000 1.177 550 K HN 0.069 nan 8.250 nan 0.000 0.570 551 F N 1.711 121.522 119.950 -0.231 0.000 2.313 551 F HA 0.115 4.163 4.527 -0.799 0.000 0.369 551 F C 0.893 176.429 175.800 -0.440 0.000 1.109 551 F CA -0.836 56.835 58.000 -0.547 0.000 1.132 551 F CB 1.115 39.364 39.000 -1.252 0.000 1.291 551 F HN -0.016 nan 8.300 nan 0.000 0.496 552 D N 4.129 124.537 120.400 0.014 0.000 2.310 552 D HA -0.155 4.006 4.640 -0.799 0.000 0.212 552 D C 1.869 178.226 176.300 0.095 0.000 0.965 552 D CA 0.986 55.024 54.000 0.063 0.000 0.879 552 D CB 0.144 41.013 40.800 0.115 0.000 0.921 552 D HN 0.636 nan 8.370 nan 0.000 0.510 553 W N -0.737 120.664 121.300 0.168 0.000 2.800 553 W HA 0.027 4.208 4.660 -0.799 0.000 0.249 553 W C 1.176 177.773 176.519 0.130 0.000 1.294 553 W CA -0.462 56.942 57.345 0.098 0.000 1.402 553 W CB -1.229 28.238 29.460 0.012 0.000 1.126 553 W HN -0.064 nan 8.180 nan 0.000 0.652 554 F N 3.749 123.435 119.950 -0.439 0.000 2.075 554 F HA -0.213 3.834 4.527 -0.799 0.000 0.297 554 F C 2.671 178.451 175.800 -0.034 0.000 1.113 554 F CA 3.222 60.994 58.000 -0.381 0.000 1.218 554 F CB -0.227 38.492 39.000 -0.469 0.000 0.984 554 F HN -0.172 nan 8.300 nan 0.000 0.472 555 K N -0.494 120.042 120.400 0.227 0.000 2.218 555 K HA -0.222 3.618 4.320 -0.799 0.000 0.205 555 K C 1.322 177.980 176.600 0.096 0.000 1.046 555 K CA 2.018 58.408 56.287 0.171 0.000 0.933 555 K CB -0.666 31.919 32.500 0.141 0.000 0.728 555 K HN 0.221 nan 8.250 nan 0.000 0.454 556 D N 1.056 121.517 120.400 0.103 0.000 2.312 556 D HA -0.043 4.118 4.640 -0.799 0.000 0.211 556 D C 1.796 178.130 176.300 0.056 0.000 0.964 556 D CA 0.663 54.719 54.000 0.094 0.000 0.877 556 D CB -0.039 40.840 40.800 0.132 0.000 0.924 556 D HN 0.251 nan 8.370 nan 0.000 0.515 557 L N 0.029 121.247 121.223 -0.008 0.000 2.187 557 L HA -0.081 3.779 4.340 -0.799 0.000 0.213 557 L C 1.603 178.473 176.870 -0.001 0.000 1.100 557 L CA 1.161 55.960 54.840 -0.069 0.000 0.765 557 L CB -0.394 41.476 42.059 -0.315 0.000 0.904 557 L HN 0.176 nan 8.230 nan 0.000 0.437 558 G N 0.007 108.822 108.800 0.025 0.000 2.142 558 G HA2 -0.236 3.244 3.960 -0.799 0.000 0.225 558 G HA3 -0.236 3.244 3.960 -0.799 0.000 0.225 558 G C -0.055 174.899 174.900 0.090 0.000 1.015 558 G CA -0.356 44.795 45.100 0.085 0.000 0.716 558 G HN 0.189 nan 8.290 nan 0.000 0.508 559 L N 0.461 121.683 121.223 -0.002 0.000 2.307 559 L HA 0.721 4.582 4.340 -0.799 0.000 0.282 559 L C 0.666 177.429 176.870 -0.178 0.000 1.051 559 L CA -0.639 54.140 54.840 -0.102 0.000 0.804 559 L CB 1.464 43.450 42.059 -0.122 0.000 1.197 559 L HN 0.410 nan 8.230 nan 0.000 0.431 560 K N 2.253 122.335 120.400 -0.530 0.000 2.509 560 K HA 0.520 4.361 4.320 -0.799 0.000 0.266 560 K C -1.896 174.690 176.600 -0.023 0.000 0.987 560 K CA -0.945 55.199 56.287 -0.239 0.000 0.868 560 K CB 2.805 35.124 32.500 -0.303 0.000 1.421 560 K HN 0.576 nan 8.250 nan 0.000 0.444 561 W N 2.205 123.510 121.300 0.010 0.000 3.029 561 W HA 0.354 4.538 4.660 -0.793 0.000 0.339 561 W C -1.171 175.486 176.519 0.229 0.000 1.198 561 W CA -0.924 56.517 57.345 0.160 0.000 1.148 561 W CB 1.809 31.242 29.460 -0.044 0.000 1.451 561 W HN 0.702 nan 8.180 nan 0.000 0.564 562 Y N 0.089 120.333 120.300 -0.092 0.000 2.304 562 Y HA 0.546 4.620 4.550 -0.793 0.000 0.327 562 Y C 0.962 177.053 175.900 0.317 0.000 1.209 562 Y CA -0.146 57.951 58.100 -0.006 0.000 1.299 562 Y CB 0.407 38.715 38.460 -0.254 0.000 1.249 562 Y HN 0.450 nan 8.280 nan 0.000 0.519 563 G N 1.773 110.786 108.800 0.355 0.000 2.813 563 G HA2 0.110 3.591 3.960 -0.799 0.000 0.209 563 G HA3 0.110 3.591 3.960 -0.799 0.000 0.209 563 G C -0.543 174.648 174.900 0.486 0.000 1.150 563 G CA 0.034 45.382 45.100 0.412 0.000 0.785 563 G HN 0.546 nan 8.290 nan 0.000 0.535 564 L N 1.510 123.018 121.223 0.475 0.000 2.388 564 L HA 0.506 4.366 4.340 -0.799 0.000 0.267 564 L C -2.568 174.424 176.870 0.204 0.000 0.995 564 L CA -2.345 52.655 54.840 0.268 0.000 0.864 564 L CB 2.413 44.576 42.059 0.173 0.000 1.216 564 L HN -0.239 nan 8.230 nan 0.000 0.430 565 P HA 0.378 nan 4.420 nan 0.000 0.287 565 P C -1.156 176.039 177.300 -0.176 0.000 1.294 565 P CA -0.243 62.716 63.100 -0.235 0.000 0.776 565 P CB 1.408 32.654 31.700 -0.756 0.000 0.889 566 A N 4.054 126.766 122.820 -0.179 0.000 3.082 566 A HA 0.326 4.167 4.320 -0.799 0.000 0.328 566 A C -0.210 177.112 177.584 -0.436 0.000 1.089 566 A CA -0.626 51.232 52.037 -0.298 0.000 0.802 566 A CB 0.184 19.036 19.000 -0.246 0.000 1.138 566 A HN 0.304 nan 8.150 nan 0.000 0.474 567 V N 2.358 121.881 119.914 -0.652 0.000 2.539 567 V HA 0.021 3.661 4.120 -0.799 0.000 0.300 567 V C 1.360 177.007 176.094 -0.745 0.000 1.019 567 V CA 1.749 63.611 62.300 -0.730 0.000 1.160 567 V CB 0.597 31.810 31.823 -1.015 0.000 0.901 567 V HN 0.996 nan 8.190 nan 0.000 0.481 568 S N 2.199 117.666 115.700 -0.387 0.000 2.604 568 S HA 0.026 4.016 4.470 -0.799 0.000 0.235 568 S C 1.113 175.648 174.600 -0.108 0.000 1.043 568 S CA 0.072 58.132 58.200 -0.234 0.000 0.997 568 S CB -0.028 63.067 63.200 -0.174 0.000 0.956 568 S HN 0.817 nan 8.310 nan 0.000 0.535 569 N N 1.422 120.062 118.700 -0.100 0.000 2.398 569 N HA 0.211 4.471 4.740 -0.799 0.000 0.188 569 N C 0.255 175.779 175.510 0.024 0.000 1.122 569 N CA -0.028 52.998 53.050 -0.038 0.000 0.866 569 N CB -0.433 38.022 38.487 -0.053 0.000 0.970 569 N HN 0.399 nan 8.380 nan 0.000 0.462 570 M N 0.213 119.848 119.600 0.058 0.000 2.371 570 M HA 0.331 4.332 4.480 -0.799 0.000 0.301 570 M C -0.501 175.908 176.300 0.182 0.000 1.173 570 M CA -0.808 54.577 55.300 0.141 0.000 1.020 570 M CB 1.609 34.331 32.600 0.203 0.000 1.490 570 M HN 0.033 nan 8.290 nan 0.000 0.485 571 L N 2.263 123.597 121.223 0.184 0.000 2.349 571 L HA 0.482 4.343 4.340 -0.799 0.000 0.278 571 L C -1.513 175.458 176.870 0.167 0.000 0.996 571 L CA -0.907 54.030 54.840 0.161 0.000 0.825 571 L CB 1.397 43.507 42.059 0.086 0.000 1.243 571 L HN 0.522 nan 8.230 nan 0.000 0.412 572 L N 5.113 126.443 121.223 0.178 0.000 2.264 572 L HA 0.439 4.300 4.340 -0.799 0.000 0.289 572 L C -0.389 176.510 176.870 0.048 0.000 1.044 572 L CA 0.366 55.213 54.840 0.011 0.000 0.807 572 L CB 1.211 43.271 42.059 0.001 0.000 1.192 572 L HN 0.659 nan 8.230 nan 0.000 0.425 573 E N 6.010 126.162 120.200 -0.080 0.000 2.151 573 E HA 0.489 4.360 4.350 -0.799 0.000 0.275 573 E C -1.465 175.071 176.600 -0.107 0.000 0.936 573 E CA -0.527 55.836 56.400 -0.062 0.000 0.777 573 E CB 1.110 30.767 29.700 -0.072 0.000 1.108 573 E HN 0.701 nan 8.360 nan 0.000 0.401 574 I N 2.788 123.295 120.570 -0.105 0.000 2.499 574 I HA 0.275 3.966 4.170 -0.799 0.000 0.288 574 I C 0.747 176.627 176.117 -0.394 0.000 1.048 574 I CA -0.751 60.368 61.300 -0.301 0.000 1.062 574 I CB 2.070 39.873 38.000 -0.328 0.000 1.238 574 I HN 0.859 nan 8.210 nan 0.000 0.426 575 G N 4.136 112.654 108.800 -0.469 0.000 2.416 575 G HA2 -0.130 3.351 3.960 -0.799 0.000 0.301 575 G HA3 -0.130 3.351 3.960 -0.799 0.000 0.301 575 G C 1.042 175.951 174.900 0.014 0.000 0.985 575 G CA 0.979 45.986 45.100 -0.156 0.000 0.934 575 G HN 1.586 nan 8.290 nan 0.000 0.513 576 G N -1.946 106.833 108.800 -0.035 0.000 2.241 576 G HA2 -0.243 3.238 3.960 -0.799 0.000 0.244 576 G HA3 -0.243 3.238 3.960 -0.799 0.000 0.244 576 G C 0.565 175.424 174.900 -0.068 0.000 0.998 576 G CA 0.334 45.430 45.100 -0.007 0.000 0.621 576 G HN 1.243 nan 8.290 nan 0.000 0.519 577 L N 1.116 122.245 121.223 -0.157 0.000 2.426 577 L HA 0.457 4.318 4.340 -0.799 0.000 0.271 577 L C 0.383 177.016 176.870 -0.394 0.000 1.169 577 L CA -0.015 54.615 54.840 -0.351 0.000 0.836 577 L CB 0.719 42.439 42.059 -0.565 0.000 1.112 577 L HN 0.217 nan 8.230 nan 0.000 0.465 578 E N 3.136 123.058 120.200 -0.463 0.000 2.114 578 E HA 0.299 4.170 4.350 -0.799 0.000 0.266 578 E C -1.356 174.984 176.600 -0.432 0.000 0.896 578 E CA -0.309 55.901 56.400 -0.316 0.000 0.750 578 E CB 1.134 30.739 29.700 -0.158 0.000 1.121 578 E HN 0.292 nan 8.360 nan 0.000 0.413 579 F N 2.090 122.013 119.950 -0.044 0.000 2.309 579 F HA 0.073 4.119 4.527 -0.802 0.000 0.366 579 F C 1.597 177.428 175.800 0.051 0.000 1.104 579 F CA -0.466 57.530 58.000 -0.008 0.000 1.179 579 F CB 0.882 39.859 39.000 -0.039 0.000 1.437 579 F HN 0.411 nan 8.300 nan 0.000 0.528 580 S N 1.257 117.066 115.700 0.181 0.000 2.555 580 S HA 0.263 4.254 4.470 -0.799 0.000 0.230 580 S C 0.697 175.412 174.600 0.191 0.000 0.978 580 S CA 0.235 58.528 58.200 0.155 0.000 0.934 580 S CB -0.011 63.259 63.200 0.117 0.000 0.766 580 S HN 0.486 nan 8.310 nan 0.000 0.533 581 A N 0.650 123.627 122.820 0.263 0.000 2.411 581 A HA 0.595 4.435 4.320 -0.799 0.000 0.285 581 A C -0.200 177.595 177.584 0.352 0.000 1.129 581 A CA -0.568 51.632 52.037 0.271 0.000 0.736 581 A CB 0.503 19.647 19.000 0.241 0.000 1.186 581 A HN 1.048 nan 8.150 nan 0.000 0.445 582 C N -0.052 119.414 119.300 0.276 0.000 3.181 582 C HA 0.455 4.436 4.460 -0.799 0.000 0.216 582 C C -2.998 172.113 174.990 0.202 0.000 1.834 582 C CA -1.755 57.408 59.018 0.242 0.000 1.208 582 C CB -0.850 27.054 27.740 0.275 0.000 2.103 582 C HN 0.505 nan 8.230 nan 0.000 0.579 583 P HA 0.220 nan 4.420 nan 0.000 0.261 583 P C -0.374 176.910 177.300 -0.027 0.000 1.173 583 P CA 1.000 64.037 63.100 -0.104 0.000 0.760 583 P CB 0.013 31.611 31.700 -0.170 0.000 0.783 584 F N 0.095 119.971 119.950 -0.123 0.000 2.577 584 F HA 0.836 4.885 4.527 -0.796 0.000 0.318 584 F C -0.257 175.457 175.800 -0.144 0.000 1.065 584 F CA -1.265 56.665 58.000 -0.117 0.000 0.929 584 F CB 1.609 40.422 39.000 -0.311 0.000 1.237 584 F HN 0.316 nan 8.300 nan 0.000 0.468 585 S N 0.983 116.771 115.700 0.146 0.000 2.588 585 S HA 0.899 4.890 4.470 -0.799 0.000 0.275 585 S C -0.826 173.752 174.600 -0.038 0.000 1.130 585 S CA 0.236 58.465 58.200 0.048 0.000 0.855 585 S CB 1.547 64.877 63.200 0.217 0.000 1.116 585 S HN 1.672 nan 8.310 nan 0.000 0.472 586 S N 0.470 116.107 115.700 -0.105 0.000 4.261 586 S HA 0.774 4.764 4.470 -0.799 0.000 0.262 586 S C -1.582 173.026 174.600 0.013 0.000 1.063 586 S CA -0.420 57.667 58.200 -0.189 0.000 1.355 586 S CB -0.436 62.437 63.200 -0.546 0.000 1.629 586 S HN 1.567 nan 8.310 nan 0.000 0.658 587 W N -0.410 120.890 121.300 0.000 0.000 2.864 587 W HA 0.822 5.002 4.660 -0.800 0.000 0.343 587 W C -1.361 175.168 176.519 0.017 0.000 1.109 587 W CA -1.558 55.805 57.345 0.031 0.000 1.192 587 W CB 0.028 29.544 29.460 0.094 0.000 1.426 587 W HN 0.654 nan 8.180 nan 0.000 0.529 588 Y N 2.745 123.218 120.300 0.288 0.000 2.480 588 Y HA 0.152 4.223 4.550 -0.799 0.000 0.338 588 Y C 1.052 177.015 175.900 0.104 0.000 1.220 588 Y CA -0.389 57.773 58.100 0.105 0.000 1.430 588 Y CB 1.016 39.466 38.460 -0.016 0.000 1.311 588 Y HN 0.400 nan 8.280 nan 0.000 0.575 589 M N 2.603 122.345 119.600 0.237 0.000 2.233 589 M HA 0.243 4.244 4.480 -0.799 0.000 0.355 589 M C 1.260 177.557 176.300 -0.006 0.000 1.191 589 M CA 0.161 55.532 55.300 0.117 0.000 1.101 589 M CB 1.072 33.718 32.600 0.077 0.000 1.592 589 M HN 0.930 nan 8.290 nan 0.000 0.461 590 G N 1.508 110.268 108.800 -0.067 0.000 2.556 590 G HA2 -0.337 3.144 3.960 -0.799 0.000 0.220 590 G HA3 -0.337 3.144 3.960 -0.799 0.000 0.220 590 G C 1.189 175.958 174.900 -0.218 0.000 1.156 590 G CA 1.871 46.860 45.100 -0.185 0.000 0.766 590 G HN 0.883 nan 8.290 nan 0.000 0.583 591 T N -0.682 113.797 114.554 -0.124 0.000 2.803 591 T HA -0.087 3.783 4.350 -0.799 0.000 0.269 591 T C 1.959 176.515 174.700 -0.239 0.000 1.052 591 T CA 1.717 63.707 62.100 -0.184 0.000 1.136 591 T CB -0.388 68.357 68.868 -0.205 0.000 0.864 591 T HN 0.546 nan 8.240 nan 0.000 0.467 592 E N 0.864 120.937 120.200 -0.212 0.000 2.130 592 E HA -0.087 3.784 4.350 -0.799 0.000 0.196 592 E C 2.049 178.384 176.600 -0.443 0.000 0.998 592 E CA 1.508 57.781 56.400 -0.211 0.000 0.806 592 E CB -0.329 29.377 29.700 0.010 0.000 0.738 592 E HN 0.640 nan 8.360 nan 0.000 0.459 593 I N -0.289 119.868 120.570 -0.689 0.000 2.499 593 I HA -0.005 3.686 4.170 -0.799 0.000 0.243 593 I C 2.593 178.191 176.117 -0.865 0.000 1.085 593 I CA 0.721 61.349 61.300 -1.120 0.000 1.422 593 I CB -0.541 36.599 38.000 -1.435 0.000 1.165 593 I HN 0.075 nan 8.210 nan 0.000 0.440 594 G N 0.880 109.378 108.800 -0.503 0.000 2.422 594 G HA2 -0.137 3.344 3.960 -0.799 0.000 0.218 594 G HA3 -0.137 3.344 3.960 -0.799 0.000 0.218 594 G C 1.596 176.452 174.900 -0.074 0.000 1.146 594 G CA 1.132 46.139 45.100 -0.156 0.000 0.769 594 G HN 0.219 nan 8.290 nan 0.000 0.547 595 V N 0.087 119.904 119.914 -0.162 0.000 2.403 595 V HA 0.081 3.722 4.120 -0.799 0.000 0.239 595 V C 2.794 178.821 176.094 -0.111 0.000 1.041 595 V CA 1.005 63.234 62.300 -0.118 0.000 1.051 595 V CB -0.272 31.453 31.823 -0.163 0.000 0.704 595 V HN 0.117 nan 8.190 nan 0.000 0.472 596 R N 0.571 120.968 120.500 -0.171 0.000 2.057 596 R HA -0.002 3.859 4.340 -0.799 0.000 0.224 596 R C 1.932 178.167 176.300 -0.108 0.000 1.136 596 R CA 1.363 57.382 56.100 -0.134 0.000 0.968 596 R CB -0.941 29.267 30.300 -0.154 0.000 0.863 596 R HN 0.471 nan 8.270 nan 0.000 0.433 597 D N -0.035 120.213 120.400 -0.253 0.000 2.149 597 D HA -0.099 4.062 4.640 -0.799 0.000 0.201 597 D C 1.976 178.250 176.300 -0.042 0.000 0.972 597 D CA 1.128 54.968 54.000 -0.268 0.000 0.835 597 D CB -0.177 40.113 40.800 -0.850 0.000 0.966 597 D HN 0.333 nan 8.370 nan 0.000 0.476 598 Y N -0.427 119.773 120.300 -0.166 0.000 2.347 598 Y HA -0.035 4.036 4.550 -0.799 0.000 0.294 598 Y C 2.234 178.171 175.900 0.061 0.000 1.117 598 Y CA 0.263 58.346 58.100 -0.028 0.000 1.184 598 Y CB 0.415 38.833 38.460 -0.070 0.000 1.047 598 Y HN 0.026 nan 8.280 nan 0.000 0.546 599 C N -1.209 118.195 119.300 0.174 0.000 3.097 599 C HA 0.151 4.132 4.460 -0.799 0.000 0.335 599 C C 0.246 175.280 174.990 0.074 0.000 1.283 599 C CA -0.750 58.340 59.018 0.119 0.000 1.778 599 C CB -0.577 27.212 27.740 0.081 0.000 2.365 599 C HN 0.260 nan 8.230 nan 0.000 0.627 600 D N 1.676 122.106 120.400 0.049 0.000 2.601 600 D HA -0.087 4.074 4.640 -0.799 0.000 0.229 600 D C 1.054 177.389 176.300 0.057 0.000 1.140 600 D CA 0.601 54.621 54.000 0.033 0.000 0.862 600 D CB 0.278 41.094 40.800 0.027 0.000 1.192 600 D HN 0.315 nan 8.370 nan 0.000 0.480 601 N N 0.410 119.133 118.700 0.040 0.000 2.309 601 N HA -0.123 4.138 4.740 -0.799 0.000 0.182 601 N C 0.413 175.950 175.510 0.045 0.000 1.018 601 N CA 0.602 53.680 53.050 0.046 0.000 0.876 601 N CB 0.240 38.748 38.487 0.035 0.000 0.972 601 N HN 0.175 nan 8.380 nan 0.000 0.434 602 S N 0.070 115.794 115.700 0.040 0.000 2.577 602 S HA 0.243 4.234 4.470 -0.799 0.000 0.219 602 S C 0.752 175.377 174.600 0.042 0.000 0.962 602 S CA -0.327 57.894 58.200 0.035 0.000 0.921 602 S CB 0.643 63.863 63.200 0.032 0.000 0.789 602 S HN 0.202 nan 8.310 nan 0.000 0.497 603 R N 0.332 120.874 120.500 0.070 0.000 2.449 603 R HA 0.390 4.250 4.340 -0.799 0.000 0.130 603 R C 0.811 177.161 176.300 0.083 0.000 1.404 603 R CA -0.402 55.763 56.100 0.108 0.000 1.271 603 R CB -0.970 29.451 30.300 0.201 0.000 1.431 603 R HN 0.199 nan 8.270 nan 0.000 0.477 604 Y N 1.300 121.701 120.300 0.169 0.000 2.457 604 Y HA 0.025 4.095 4.550 -0.800 0.000 0.292 604 Y C 0.482 176.457 175.900 0.126 0.000 1.125 604 Y CA 0.932 59.141 58.100 0.181 0.000 1.254 604 Y CB -0.245 38.405 38.460 0.317 0.000 1.012 604 Y HN 0.544 nan 8.280 nan 0.000 0.555 605 N N 0.886 119.726 118.700 0.233 0.000 2.642 605 N HA -0.216 4.045 4.740 -0.799 0.000 0.269 605 N C 0.362 175.961 175.510 0.149 0.000 1.073 605 N CA 0.341 53.483 53.050 0.153 0.000 0.748 605 N CB -0.934 37.613 38.487 0.100 0.000 0.894 605 N HN 0.593 nan 8.380 nan 0.000 0.548 606 I N -2.126 118.537 120.570 0.156 0.000 4.018 606 I HA 0.127 3.818 4.170 -0.799 0.000 0.337 606 I C 1.591 177.787 176.117 0.131 0.000 1.327 606 I CA -0.494 60.874 61.300 0.114 0.000 1.100 606 I CB 0.040 38.066 38.000 0.044 0.000 1.025 606 I HN 0.229 nan 8.210 nan 0.000 0.396 607 L N 1.276 122.599 121.223 0.167 0.000 1.989 607 L HA -0.194 3.667 4.340 -0.799 0.000 0.211 607 L C 2.661 179.712 176.870 0.301 0.000 1.071 607 L CA 1.962 56.942 54.840 0.233 0.000 0.749 607 L CB -0.515 41.670 42.059 0.210 0.000 0.890 607 L HN 0.350 nan 8.230 nan 0.000 0.431 608 E N -0.122 120.238 120.200 0.266 0.000 2.048 608 E HA -0.293 3.577 4.350 -0.799 0.000 0.202 608 E C 1.990 178.611 176.600 0.035 0.000 1.021 608 E CA 2.057 58.540 56.400 0.140 0.000 0.825 608 E CB -0.168 29.573 29.700 0.069 0.000 0.756 608 E HN 0.595 nan 8.360 nan 0.000 0.454 609 E N 0.441 120.663 120.200 0.035 0.000 2.038 609 E HA -0.196 3.674 4.350 -0.799 0.000 0.195 609 E C 2.291 178.884 176.600 -0.012 0.000 1.000 609 E CA 1.602 57.994 56.400 -0.013 0.000 0.803 609 E CB -0.301 29.399 29.700 -0.001 0.000 0.750 609 E HN 0.083 nan 8.360 nan 0.000 0.448 610 V N 1.776 121.741 119.914 0.085 0.000 2.392 610 V HA -0.320 3.321 4.120 -0.799 0.000 0.249 610 V C 2.428 178.607 176.094 0.143 0.000 1.059 610 V CA 1.909 64.331 62.300 0.203 0.000 1.051 610 V CB -0.947 31.061 31.823 0.308 0.000 0.658 610 V HN 0.383 nan 8.190 nan 0.000 0.455 611 A N -0.130 122.768 122.820 0.131 0.000 1.845 611 A HA -0.256 3.585 4.320 -0.799 0.000 0.215 611 A C 2.277 179.789 177.584 -0.120 0.000 1.195 611 A CA 2.161 54.249 52.037 0.086 0.000 0.616 611 A CB -0.548 18.532 19.000 0.134 0.000 0.832 611 A HN 0.516 nan 8.150 nan 0.000 0.443 612 K N -0.121 120.168 120.400 -0.186 0.000 2.032 612 K HA -0.218 3.623 4.320 -0.799 0.000 0.218 612 K C 2.053 178.434 176.600 -0.364 0.000 1.054 612 K CA 1.956 58.090 56.287 -0.255 0.000 0.941 612 K CB -0.214 32.154 32.500 -0.219 0.000 0.720 612 K HN 0.284 nan 8.250 nan 0.000 0.449 613 K N 0.292 120.383 120.400 -0.514 0.000 2.218 613 K HA -0.156 3.684 4.320 -0.799 0.000 0.205 613 K C 1.919 177.887 176.600 -1.053 0.000 1.046 613 K CA 1.495 57.184 56.287 -0.997 0.000 0.933 613 K CB -0.196 31.267 32.500 -1.729 0.000 0.728 613 K HN 0.355 nan 8.250 nan 0.000 0.454 614 M N 0.230 119.462 119.600 -0.614 0.000 2.595 614 M HA -0.031 3.969 4.480 -0.799 0.000 0.248 614 M C -0.336 175.805 176.300 -0.265 0.000 1.119 614 M CA 0.154 55.230 55.300 -0.374 0.000 1.079 614 M CB -0.265 32.297 32.600 -0.063 0.000 1.472 614 M HN -0.002 nan 8.290 nan 0.000 0.501 615 D N 2.125 122.359 120.400 -0.276 0.000 2.904 615 D HA -0.152 4.009 4.640 -0.799 0.000 0.231 615 D C -1.118 175.105 176.300 -0.128 0.000 1.185 615 D CA 0.477 54.355 54.000 -0.202 0.000 0.783 615 D CB -0.658 40.028 40.800 -0.191 0.000 0.961 615 D HN 0.271 nan 8.370 nan 0.000 0.409 616 L N 0.663 121.819 121.223 -0.112 0.000 2.375 616 L HA 0.373 4.234 4.340 -0.799 0.000 0.268 616 L C 0.895 177.706 176.870 -0.099 0.000 1.058 616 L CA -0.999 53.818 54.840 -0.038 0.000 0.803 616 L CB 0.928 43.035 42.059 0.080 0.000 1.212 616 L HN 0.059 nan 8.230 nan 0.000 0.451 617 D N 2.277 122.659 120.400 -0.030 0.000 2.357 617 D HA 0.073 4.233 4.640 -0.799 0.000 0.265 617 D C 0.330 176.545 176.300 -0.142 0.000 1.334 617 D CA 0.441 54.407 54.000 -0.056 0.000 0.984 617 D CB 0.649 41.461 40.800 0.019 0.000 1.077 617 D HN 0.358 nan 8.370 nan 0.000 0.514 618 M N 2.841 122.207 119.600 -0.389 0.000 2.419 618 M HA 0.164 4.165 4.480 -0.799 0.000 0.252 618 M C 1.667 177.763 176.300 -0.341 0.000 1.143 618 M CA -0.232 54.567 55.300 -0.834 0.000 0.985 618 M CB 0.563 32.456 32.600 -1.179 0.000 1.489 618 M HN 0.155 nan 8.290 nan 0.000 0.484 619 R N 1.828 122.245 120.500 -0.137 0.000 2.062 619 R HA -0.026 3.834 4.340 -0.799 0.000 0.229 619 R C 0.251 176.582 176.300 0.052 0.000 1.128 619 R CA 0.991 57.065 56.100 -0.042 0.000 0.960 619 R CB -0.134 30.148 30.300 -0.030 0.000 0.855 619 R HN 0.338 nan 8.270 nan 0.000 0.432 620 K N 0.419 120.884 120.400 0.109 0.000 2.292 620 K HA 0.240 4.081 4.320 -0.799 0.000 0.257 620 K C 0.496 177.250 176.600 0.256 0.000 0.940 620 K CA -0.333 56.043 56.287 0.148 0.000 0.811 620 K CB 1.899 34.456 32.500 0.094 0.000 1.120 620 K HN -0.101 nan 8.250 nan 0.000 0.428 621 T N -1.512 113.172 114.554 0.215 0.000 2.849 621 T HA -0.209 3.661 4.350 -0.799 0.000 0.270 621 T C 1.628 176.363 174.700 0.058 0.000 1.066 621 T CA 1.639 63.823 62.100 0.139 0.000 1.130 621 T CB -0.498 68.397 68.868 0.044 0.000 0.864 621 T HN 0.629 nan 8.240 nan 0.000 0.481 622 S N 1.593 117.339 115.700 0.077 0.000 2.607 622 S HA 0.011 4.002 4.470 -0.799 0.000 0.224 622 S C 2.091 176.730 174.600 0.066 0.000 0.969 622 S CA 0.541 58.769 58.200 0.047 0.000 0.927 622 S CB -0.672 62.552 63.200 0.040 0.000 0.772 622 S HN 0.770 nan 8.310 nan 0.000 0.533 623 S N 2.129 117.903 115.700 0.124 0.000 2.474 623 S HA 0.128 4.118 4.470 -0.799 0.000 0.235 623 S C 1.017 175.687 174.600 0.115 0.000 0.997 623 S CA 0.392 58.677 58.200 0.142 0.000 0.949 623 S CB -1.020 62.314 63.200 0.223 0.000 0.766 623 S HN 0.626 nan 8.310 nan 0.000 0.517 624 L N 0.693 121.941 121.223 0.042 0.000 3.717 624 L HA -0.172 3.689 4.340 -0.799 0.000 0.411 624 L C 1.588 178.447 176.870 -0.018 0.000 1.233 624 L CA 0.726 55.534 54.840 -0.052 0.000 0.917 624 L CB -2.568 39.482 42.059 -0.014 0.000 1.902 624 L HN 0.752 nan 8.230 nan 0.000 0.894 625 W N 0.150 121.467 121.300 0.027 0.000 2.381 625 W HA -0.131 4.050 4.660 -0.799 0.000 0.301 625 W C 1.760 178.305 176.519 0.044 0.000 1.205 625 W CA 1.292 58.657 57.345 0.033 0.000 1.285 625 W CB -0.740 28.732 29.460 0.019 0.000 1.133 625 W HN 0.230 nan 8.180 nan 0.000 0.521 626 K N 1.085 120.962 120.400 -0.871 0.000 2.044 626 K HA -0.213 3.628 4.320 -0.799 0.000 0.210 626 K C 1.510 177.973 176.600 -0.228 0.000 1.049 626 K CA 2.609 58.477 56.287 -0.699 0.000 0.927 626 K CB -0.433 31.489 32.500 -0.963 0.000 0.713 626 K HN 0.088 nan 8.250 nan 0.000 0.443 627 D N 0.396 120.678 120.400 -0.196 0.000 2.117 627 D HA -0.145 4.015 4.640 -0.799 0.000 0.197 627 D C 2.027 178.335 176.300 0.013 0.000 0.987 627 D CA 1.035 54.988 54.000 -0.078 0.000 0.829 627 D CB -0.016 40.742 40.800 -0.071 0.000 0.961 627 D HN 0.198 nan 8.370 nan 0.000 0.460 628 Q N -0.052 119.785 119.800 0.061 0.000 2.050 628 Q HA -0.105 3.756 4.340 -0.799 0.000 0.202 628 Q C 2.238 178.345 176.000 0.180 0.000 0.980 628 Q CA 1.348 57.227 55.803 0.128 0.000 0.840 628 Q CB -0.137 28.697 28.738 0.159 0.000 0.898 628 Q HN 0.296 nan 8.270 nan 0.000 0.424 629 A N 0.664 123.612 122.820 0.213 0.000 1.883 629 A HA -0.213 3.627 4.320 -0.799 0.000 0.217 629 A C 2.006 179.721 177.584 0.218 0.000 1.186 629 A CA 1.337 53.535 52.037 0.269 0.000 0.624 629 A CB -0.822 18.363 19.000 0.309 0.000 0.822 629 A HN 0.402 nan 8.150 nan 0.000 0.444 630 L N 0.080 121.382 121.223 0.132 0.000 2.013 630 L HA -0.176 3.685 4.340 -0.799 0.000 0.212 630 L C 2.439 179.366 176.870 0.096 0.000 1.073 630 L CA 2.169 57.063 54.840 0.090 0.000 0.753 630 L CB -0.541 41.527 42.059 0.015 0.000 0.890 630 L HN 0.191 nan 8.230 nan 0.000 0.432 631 V N -0.383 119.588 119.914 0.095 0.000 2.295 631 V HA -0.242 3.399 4.120 -0.799 0.000 0.246 631 V C 2.631 178.788 176.094 0.105 0.000 1.049 631 V CA 1.795 64.148 62.300 0.089 0.000 1.024 631 V CB -0.772 31.103 31.823 0.086 0.000 0.648 631 V HN 0.444 nan 8.190 nan 0.000 0.447 632 E N 0.245 120.549 120.200 0.173 0.000 2.038 632 E HA -0.203 3.668 4.350 -0.799 0.000 0.195 632 E C 2.171 178.865 176.600 0.158 0.000 1.000 632 E CA 1.568 58.100 56.400 0.220 0.000 0.803 632 E CB -0.516 29.410 29.700 0.376 0.000 0.750 632 E HN 0.574 nan 8.360 nan 0.000 0.448 633 I N 1.300 122.013 120.570 0.238 0.000 2.194 633 I HA -0.340 3.351 4.170 -0.799 0.000 0.246 633 I C 1.780 177.959 176.117 0.102 0.000 1.093 633 I CA 1.469 62.919 61.300 0.249 0.000 1.355 633 I CB -0.396 37.784 38.000 0.299 0.000 1.046 633 I HN 0.089 nan 8.210 nan 0.000 0.413 634 N N 0.631 119.368 118.700 0.062 0.000 2.270 634 N HA -0.031 4.230 4.740 -0.799 0.000 0.181 634 N C 1.861 177.343 175.510 -0.046 0.000 1.016 634 N CA 0.837 53.889 53.050 0.005 0.000 0.870 634 N CB -0.085 38.410 38.487 0.013 0.000 0.979 634 N HN 0.285 nan 8.380 nan 0.000 0.431 635 I N 0.412 120.934 120.570 -0.080 0.000 2.286 635 I HA -0.248 3.443 4.170 -0.799 0.000 0.248 635 I C 2.109 178.054 176.117 -0.287 0.000 1.115 635 I CA 0.827 62.018 61.300 -0.183 0.000 1.392 635 I CB -0.160 37.688 38.000 -0.252 0.000 1.065 635 I HN 0.181 nan 8.210 nan 0.000 0.418 636 A N -0.135 122.460 122.820 -0.376 0.000 1.968 636 A HA -0.097 3.744 4.320 -0.799 0.000 0.217 636 A C 2.380 179.886 177.584 -0.129 0.000 1.169 636 A CA 1.169 52.938 52.037 -0.448 0.000 0.638 636 A CB -0.643 17.805 19.000 -0.920 0.000 0.812 636 A HN 0.233 nan 8.150 nan 0.000 0.446 637 V N 0.132 120.009 119.914 -0.062 0.000 2.283 637 V HA -0.220 3.421 4.120 -0.799 0.000 0.243 637 V C 2.550 178.614 176.094 -0.050 0.000 1.039 637 V CA 1.946 64.236 62.300 -0.016 0.000 1.016 637 V CB -0.715 31.037 31.823 -0.119 0.000 0.650 637 V HN 0.586 nan 8.190 nan 0.000 0.449 638 L N -1.203 119.966 121.223 -0.089 0.000 2.079 638 L HA -0.236 3.625 4.340 -0.799 0.000 0.210 638 L C 2.463 179.352 176.870 0.032 0.000 1.081 638 L CA 1.961 56.765 54.840 -0.060 0.000 0.752 638 L CB -0.779 41.247 42.059 -0.054 0.000 0.896 638 L HN 0.419 nan 8.230 nan 0.000 0.433 639 Y N 0.635 120.872 120.300 -0.104 0.000 2.133 639 Y HA -0.254 3.817 4.550 -0.798 0.000 0.287 639 Y C 2.822 178.706 175.900 -0.026 0.000 1.134 639 Y CA 1.673 59.707 58.100 -0.110 0.000 1.133 639 Y CB -0.341 37.978 38.460 -0.234 0.000 0.987 639 Y HN 0.048 nan 8.280 nan 0.000 0.502 640 S N 0.322 116.002 115.700 -0.035 0.000 2.359 640 S HA -0.206 3.785 4.470 -0.799 0.000 0.223 640 S C 1.827 176.418 174.600 -0.015 0.000 1.039 640 S CA 1.723 59.893 58.200 -0.049 0.000 1.042 640 S CB -0.834 62.448 63.200 0.137 0.000 0.915 640 S HN 0.430 nan 8.310 nan 0.000 0.439 641 F N 1.840 121.723 119.950 -0.111 0.000 2.095 641 F HA -0.127 3.921 4.527 -0.799 0.000 0.298 641 F C 2.697 178.428 175.800 -0.115 0.000 1.104 641 F CA 1.208 59.163 58.000 -0.074 0.000 1.232 641 F CB -0.868 38.116 39.000 -0.026 0.000 0.987 641 F HN 0.230 nan 8.300 nan 0.000 0.475 642 Q N -0.876 118.957 119.800 0.055 0.000 2.170 642 Q HA -0.152 3.708 4.340 -0.799 0.000 0.203 642 Q C 2.273 178.191 176.000 -0.137 0.000 0.976 642 Q CA 1.630 57.406 55.803 -0.046 0.000 0.858 642 Q CB -0.321 28.381 28.738 -0.059 0.000 0.907 642 Q HN 0.254 nan 8.270 nan 0.000 0.433 643 S N 0.659 116.207 115.700 -0.254 0.000 2.461 643 S HA -0.066 3.925 4.470 -0.799 0.000 0.228 643 S C 0.498 174.987 174.600 -0.184 0.000 1.005 643 S CA 0.833 58.858 58.200 -0.291 0.000 0.942 643 S CB 0.128 63.021 63.200 -0.512 0.000 0.776 643 S HN 0.322 nan 8.310 nan 0.000 0.514 644 D N 0.609 120.913 120.400 -0.161 0.000 2.368 644 D HA 0.209 4.370 4.640 -0.799 0.000 0.218 644 D C -0.117 176.115 176.300 -0.113 0.000 1.112 644 D CA 0.022 53.940 54.000 -0.138 0.000 0.834 644 D CB 0.042 40.739 40.800 -0.171 0.000 0.953 644 D HN 0.003 nan 8.370 nan 0.000 0.505 645 K N -0.327 120.015 120.400 -0.095 0.000 3.156 645 K HA -0.135 3.706 4.320 -0.799 0.000 0.266 645 K C -0.840 175.719 176.600 -0.067 0.000 0.966 645 K CA 0.243 56.486 56.287 -0.074 0.000 0.719 645 K CB -1.639 30.818 32.500 -0.071 0.000 1.333 645 K HN 0.045 nan 8.250 nan 0.000 0.468 646 V N 1.013 120.894 119.914 -0.055 0.000 2.370 646 V HA 0.193 3.834 4.120 -0.799 0.000 0.279 646 V C 0.793 176.950 176.094 0.104 0.000 1.029 646 V CA -0.838 61.454 62.300 -0.014 0.000 0.870 646 V CB 1.815 33.549 31.823 -0.147 0.000 0.984 646 V HN 0.368 nan 8.190 nan 0.000 0.451 647 T N 6.571 121.147 114.554 0.036 0.000 2.923 647 T HA 0.329 4.200 4.350 -0.799 0.000 0.304 647 T C -0.209 174.560 174.700 0.116 0.000 1.044 647 T CA 0.939 62.995 62.100 -0.073 0.000 1.141 647 T CB 0.069 68.745 68.868 -0.319 0.000 1.023 647 T HN 0.591 nan 8.240 nan 0.000 0.533 648 I N 2.043 122.620 120.570 0.010 0.000 2.882 648 I HA 0.559 4.249 4.170 -0.799 0.000 0.298 648 I C -1.634 174.522 176.117 0.064 0.000 1.462 648 I CA -0.939 60.435 61.300 0.123 0.000 1.000 648 I CB 1.919 39.948 38.000 0.048 0.000 1.340 648 I HN 0.459 nan 8.210 nan 0.000 0.462 649 V N 5.069 125.080 119.914 0.163 0.000 2.709 649 V HA 0.490 4.130 4.120 -0.799 0.000 0.308 649 V C -1.190 174.939 176.094 0.059 0.000 1.062 649 V CA -0.307 62.069 62.300 0.128 0.000 0.901 649 V CB 2.200 34.178 31.823 0.260 0.000 1.003 649 V HN 0.853 nan 8.190 nan 0.000 0.425 650 D N 4.122 124.521 120.400 -0.002 0.000 2.358 650 D HA 0.175 4.336 4.640 -0.799 0.000 0.244 650 D C 1.265 177.490 176.300 -0.126 0.000 1.163 650 D CA 0.215 54.160 54.000 -0.092 0.000 0.945 650 D CB 0.457 41.164 40.800 -0.154 0.000 1.152 650 D HN 0.732 nan 8.370 nan 0.000 0.451 651 H N -0.080 118.903 119.070 -0.144 0.000 2.491 651 H HA -0.122 3.954 4.556 -0.799 0.000 0.290 651 H C 0.885 176.104 175.328 -0.182 0.000 1.050 651 H CA 1.121 57.053 56.048 -0.193 0.000 1.309 651 H CB -0.435 29.157 29.762 -0.282 0.000 1.392 651 H HN 0.506 nan 8.280 nan 0.000 0.554 652 H N 1.313 120.233 119.070 -0.250 0.000 2.284 652 H HA 0.005 4.082 4.556 -0.798 0.000 0.304 652 H C 2.430 177.754 175.328 -0.006 0.000 1.069 652 H CA 1.319 57.316 56.048 -0.085 0.000 1.327 652 H CB -0.125 29.554 29.762 -0.139 0.000 1.387 652 H HN 0.300 nan 8.280 nan 0.000 0.498 653 S N 0.900 116.661 115.700 0.101 0.000 2.359 653 S HA -0.170 3.821 4.470 -0.799 0.000 0.224 653 S C 2.482 177.152 174.600 0.116 0.000 1.035 653 S CA 1.104 59.360 58.200 0.094 0.000 1.018 653 S CB -0.398 62.843 63.200 0.069 0.000 0.876 653 S HN 0.546 nan 8.310 nan 0.000 0.448 654 A N 1.565 124.450 122.820 0.108 0.000 1.883 654 A HA -0.169 3.672 4.320 -0.799 0.000 0.217 654 A C 2.482 180.162 177.584 0.160 0.000 1.186 654 A CA 2.386 54.505 52.037 0.136 0.000 0.624 654 A CB -1.512 17.553 19.000 0.109 0.000 0.822 654 A HN 0.663 nan 8.150 nan 0.000 0.444 655 T N -2.371 112.266 114.554 0.140 0.000 2.857 655 T HA -0.107 3.764 4.350 -0.799 0.000 0.266 655 T C 1.760 176.599 174.700 0.231 0.000 1.048 655 T CA 1.379 63.587 62.100 0.180 0.000 1.139 655 T CB -0.332 68.613 68.868 0.129 0.000 0.874 655 T HN 0.605 nan 8.240 nan 0.000 0.455 656 E N 1.174 121.484 120.200 0.184 0.000 2.058 656 E HA -0.163 3.708 4.350 -0.799 0.000 0.194 656 E C 2.347 179.045 176.600 0.163 0.000 0.997 656 E CA 1.423 57.920 56.400 0.163 0.000 0.801 656 E CB -0.284 29.493 29.700 0.128 0.000 0.746 656 E HN 0.529 nan 8.360 nan 0.000 0.450 657 S N 0.074 115.878 115.700 0.172 0.000 2.368 657 S HA -0.158 3.833 4.470 -0.799 0.000 0.225 657 S C 1.482 176.211 174.600 0.214 0.000 1.030 657 S CA 1.172 59.473 58.200 0.170 0.000 0.999 657 S CB -0.423 62.878 63.200 0.168 0.000 0.844 657 S HN 0.411 nan 8.310 nan 0.000 0.459 658 F N 2.065 122.091 119.950 0.126 0.000 2.234 658 F HA -0.047 4.001 4.527 -0.799 0.000 0.299 658 F C 1.731 177.636 175.800 0.176 0.000 1.087 658 F CA 0.805 58.903 58.000 0.163 0.000 1.340 658 F CB -0.167 38.908 39.000 0.124 0.000 1.031 658 F HN 0.087 nan 8.300 nan 0.000 0.500 659 I N 0.905 121.541 120.570 0.110 0.000 2.142 659 I HA -0.295 3.396 4.170 -0.799 0.000 0.240 659 I C 2.219 178.313 176.117 -0.038 0.000 1.078 659 I CA 1.529 62.839 61.300 0.015 0.000 1.343 659 I CB -1.351 36.715 38.000 0.110 0.000 1.046 659 I HN 0.170 nan 8.210 nan 0.000 0.405 660 K N -0.318 120.098 120.400 0.027 0.000 2.044 660 K HA -0.286 3.555 4.320 -0.799 0.000 0.210 660 K C 2.196 178.800 176.600 0.006 0.000 1.049 660 K CA 2.005 58.307 56.287 0.026 0.000 0.927 660 K CB -0.547 31.989 32.500 0.060 0.000 0.713 660 K HN 0.352 nan 8.250 nan 0.000 0.443 661 H N 0.794 119.805 119.070 -0.098 0.000 2.290 661 H HA -0.081 3.996 4.556 -0.798 0.000 0.298 661 H C 2.095 177.304 175.328 -0.199 0.000 1.087 661 H CA 2.177 58.148 56.048 -0.128 0.000 1.291 661 H CB -0.166 29.520 29.762 -0.127 0.000 1.369 661 H HN 0.104 nan 8.280 nan 0.000 0.492 662 M N 0.104 119.397 119.600 -0.513 0.000 2.082 662 M HA -0.216 3.785 4.480 -0.799 0.000 0.258 662 M C 2.079 178.312 176.300 -0.113 0.000 1.069 662 M CA 2.233 57.258 55.300 -0.458 0.000 1.102 662 M CB -0.084 32.229 32.600 -0.478 0.000 1.336 662 M HN 0.463 nan 8.290 nan 0.000 0.404 663 E N -0.023 120.124 120.200 -0.089 0.000 2.038 663 E HA -0.248 3.623 4.350 -0.799 0.000 0.195 663 E C 1.772 178.373 176.600 0.002 0.000 1.000 663 E CA 1.543 57.935 56.400 -0.014 0.000 0.803 663 E CB -0.244 29.437 29.700 -0.031 0.000 0.750 663 E HN 0.502 nan 8.360 nan 0.000 0.448 664 N N 0.695 119.361 118.700 -0.056 0.000 2.104 664 N HA -0.188 4.073 4.740 -0.799 0.000 0.190 664 N C 1.567 177.028 175.510 -0.083 0.000 1.024 664 N CA 1.098 54.120 53.050 -0.046 0.000 0.853 664 N CB 0.005 38.477 38.487 -0.025 0.000 1.008 664 N HN 0.104 nan 8.380 nan 0.000 0.424 665 E N -0.511 119.558 120.200 -0.218 0.000 2.118 665 E HA -0.182 3.689 4.350 -0.799 0.000 0.195 665 E C 1.843 178.325 176.600 -0.198 0.000 0.992 665 E CA 0.917 57.148 56.400 -0.281 0.000 0.804 665 E CB -0.442 28.950 29.700 -0.513 0.000 0.741 665 E HN 0.581 nan 8.360 nan 0.000 0.458 666 Y N 1.040 121.262 120.300 -0.129 0.000 2.200 666 Y HA -0.111 3.960 4.550 -0.799 0.000 0.290 666 Y C 2.589 178.465 175.900 -0.040 0.000 1.137 666 Y CA 1.283 59.347 58.100 -0.060 0.000 1.163 666 Y CB -0.074 38.361 38.460 -0.043 0.000 0.988 666 Y HN -0.012 nan 8.280 nan 0.000 0.518 667 R N -0.560 119.999 120.500 0.099 0.000 2.088 667 R HA -0.204 3.657 4.340 -0.799 0.000 0.232 667 R C 2.322 178.634 176.300 0.020 0.000 1.136 667 R CA 1.948 58.078 56.100 0.050 0.000 0.926 667 R CB -1.224 29.093 30.300 0.028 0.000 0.837 667 R HN 0.522 nan 8.270 nan 0.000 0.429 668 C N -1.091 118.207 119.300 -0.003 0.000 2.594 668 C HA 0.312 4.293 4.460 -0.799 0.000 0.265 668 C C 1.992 176.965 174.990 -0.028 0.000 1.351 668 C CA -0.311 58.703 59.018 -0.007 0.000 1.744 668 C CB -0.317 27.428 27.740 0.008 0.000 1.890 668 C HN 0.393 nan 8.230 nan 0.000 0.551 669 R N 0.010 120.471 120.500 -0.065 0.000 2.544 669 R HA 0.298 4.159 4.340 -0.799 0.000 0.303 669 R C 1.394 177.625 176.300 -0.115 0.000 0.939 669 R CA 0.811 56.853 56.100 -0.097 0.000 1.102 669 R CB 0.374 30.584 30.300 -0.150 0.000 1.440 669 R HN 0.602 nan 8.270 nan 0.000 0.532 670 G N 0.376 109.118 108.800 -0.098 0.000 2.176 670 G HA2 -0.153 3.328 3.960 -0.799 0.000 0.252 670 G HA3 -0.153 3.328 3.960 -0.799 0.000 0.252 670 G C 0.118 174.898 174.900 -0.200 0.000 1.024 670 G CA 0.302 45.360 45.100 -0.069 0.000 0.755 670 G HN 0.820 nan 8.290 nan 0.000 0.507 671 G N -2.533 105.947 108.800 -0.532 0.000 2.352 671 G HA2 0.537 4.018 3.960 -0.799 0.000 0.302 671 G HA3 0.537 4.018 3.960 -0.799 0.000 0.302 671 G C -0.678 173.761 174.900 -0.769 0.000 1.370 671 G CA 0.493 45.017 45.100 -0.961 0.000 0.918 671 G HN 2.050 nan 8.290 nan 0.000 0.610 672 C N 1.590 120.511 119.300 -0.631 0.000 3.080 672 C HA 0.618 4.599 4.460 -0.799 0.000 0.388 672 C C -2.768 172.089 174.990 -0.222 0.000 1.079 672 C CA -1.011 57.795 59.018 -0.354 0.000 1.289 672 C CB 0.392 27.919 27.740 -0.356 0.000 1.702 672 C HN 0.668 nan 8.230 nan 0.000 0.516 673 P HA 0.427 nan 4.420 nan 0.000 0.267 673 P C -0.517 176.682 177.300 -0.169 0.000 1.205 673 P CA 0.656 63.388 63.100 -0.613 0.000 0.765 673 P CB 0.761 31.933 31.700 -0.879 0.000 0.828 674 A N 2.213 125.007 122.820 -0.043 0.000 2.455 674 A HA 0.479 4.320 4.320 -0.799 0.000 0.300 674 A C -1.265 176.380 177.584 0.101 0.000 1.040 674 A CA -0.468 51.640 52.037 0.119 0.000 0.697 674 A CB 1.263 20.467 19.000 0.340 0.000 1.265 674 A HN 0.423 nan 8.150 nan 0.000 0.407 675 D N 1.894 122.343 120.400 0.082 0.000 2.473 675 D HA 0.145 4.305 4.640 -0.799 0.000 0.226 675 D C 0.755 177.183 176.300 0.213 0.000 1.089 675 D CA -0.548 53.529 54.000 0.128 0.000 0.883 675 D CB 0.358 41.183 40.800 0.042 0.000 1.029 675 D HN 0.585 nan 8.370 nan 0.000 0.517 676 W N 3.955 125.299 121.300 0.073 0.000 2.304 676 W HA -0.284 3.897 4.660 -0.798 0.000 0.315 676 W C 1.699 178.258 176.519 0.066 0.000 1.233 676 W CA 1.399 58.776 57.345 0.054 0.000 1.261 676 W CB -0.059 29.411 29.460 0.016 0.000 1.150 676 W HN 0.309 nan 8.180 nan 0.000 0.494 677 V N -0.465 119.730 119.914 0.469 0.000 2.380 677 V HA -0.328 3.312 4.120 -0.799 0.000 0.251 677 V C 1.602 177.805 176.094 0.181 0.000 1.063 677 V CA 2.183 64.701 62.300 0.363 0.000 1.055 677 V CB -0.961 31.093 31.823 0.385 0.000 0.657 677 V HN 0.325 nan 8.190 nan 0.000 0.455 678 W N -1.366 119.914 121.300 -0.034 0.000 2.630 678 W HA 0.221 4.401 4.660 -0.800 0.000 0.271 678 W C 2.198 178.608 176.519 -0.182 0.000 1.244 678 W CA -0.039 57.258 57.345 -0.081 0.000 1.353 678 W CB -0.157 29.281 29.460 -0.037 0.000 1.080 678 W HN 0.072 nan 8.180 nan 0.000 0.594 679 I N 0.086 120.631 120.570 -0.042 0.000 2.286 679 I HA -0.115 3.575 4.170 -0.799 0.000 0.248 679 I C 0.687 176.605 176.117 -0.331 0.000 1.115 679 I CA 0.899 62.043 61.300 -0.259 0.000 1.392 679 I CB -1.711 36.070 38.000 -0.366 0.000 1.065 679 I HN -0.400 nan 8.210 nan 0.000 0.418 680 V N 3.889 123.518 119.914 -0.475 0.000 2.479 680 V HA 0.094 3.735 4.120 -0.799 0.000 0.281 680 V C -1.856 174.050 176.094 -0.313 0.000 1.031 680 V CA -1.134 60.865 62.300 -0.502 0.000 1.038 680 V CB 0.138 31.413 31.823 -0.913 0.000 0.981 680 V HN 0.124 nan 8.190 nan 0.000 0.478 681 P HA 0.136 nan 4.420 nan 0.000 0.268 681 P C -2.147 175.012 177.300 -0.234 0.000 1.208 681 P CA -1.039 61.926 63.100 -0.226 0.000 0.777 681 P CB -0.019 31.543 31.700 -0.230 0.000 0.875 682 P HA 0.068 nan 4.420 nan 0.000 0.245 682 P C 0.061 177.241 177.300 -0.199 0.000 1.212 682 P CA 0.972 63.949 63.100 -0.205 0.000 0.774 682 P CB -0.086 31.490 31.700 -0.207 0.000 0.999 683 M N -5.066 114.375 119.600 -0.265 0.000 2.531 683 M HA 0.536 4.537 4.480 -0.799 0.000 0.286 683 M C -0.416 175.727 176.300 -0.260 0.000 1.232 683 M CA -0.635 54.515 55.300 -0.250 0.000 0.877 683 M CB 1.963 34.393 32.600 -0.284 0.000 1.726 683 M HN -0.361 nan 8.290 nan 0.000 0.463 684 S N 0.734 116.342 115.700 -0.153 0.000 3.473 684 S HA -0.186 3.805 4.470 -0.799 0.000 0.339 684 S C 1.117 175.664 174.600 -0.087 0.000 1.148 684 S CA 0.993 59.143 58.200 -0.083 0.000 0.969 684 S CB -1.968 61.235 63.200 0.004 0.000 0.936 684 S HN 1.225 nan 8.310 nan 0.000 0.530 685 G N 2.292 111.023 108.800 -0.115 0.000 2.719 685 G HA2 -0.376 3.105 3.960 -0.799 0.000 0.219 685 G HA3 -0.376 3.105 3.960 -0.799 0.000 0.219 685 G C 1.462 176.263 174.900 -0.165 0.000 1.234 685 G CA 1.789 46.844 45.100 -0.075 0.000 0.788 685 G HN 1.334 nan 8.290 nan 0.000 0.619 686 S N 0.808 116.159 115.700 -0.582 0.000 2.555 686 S HA 0.019 4.009 4.470 -0.799 0.000 0.230 686 S C 2.190 176.704 174.600 -0.144 0.000 0.978 686 S CA 1.083 58.715 58.200 -0.947 0.000 0.934 686 S CB -0.412 61.963 63.200 -1.375 0.000 0.766 686 S HN 0.798 nan 8.310 nan 0.000 0.533 687 I N 0.571 121.132 120.570 -0.015 0.000 3.578 687 I HA 0.177 3.867 4.170 -0.799 0.000 0.295 687 I C 0.691 176.945 176.117 0.229 0.000 1.280 687 I CA -0.027 61.355 61.300 0.137 0.000 1.347 687 I CB -0.730 37.347 38.000 0.129 0.000 1.051 687 I HN 0.240 nan 8.210 nan 0.000 0.460 688 T N -1.427 113.253 114.554 0.211 0.000 2.928 688 T HA 0.456 4.327 4.350 -0.799 0.000 0.284 688 T C -1.823 173.049 174.700 0.286 0.000 1.008 688 T CA -1.750 60.496 62.100 0.243 0.000 1.057 688 T CB 1.525 70.490 68.868 0.162 0.000 1.018 688 T HN -0.117 nan 8.240 nan 0.000 0.493 689 P HA 0.010 nan 4.420 nan 0.000 0.225 689 P C 1.732 179.237 177.300 0.342 0.000 1.156 689 P CA 0.456 63.756 63.100 0.334 0.000 0.787 689 P CB -0.361 31.483 31.700 0.240 0.000 0.802 690 V N -4.043 116.021 119.914 0.251 0.000 2.667 690 V HA -0.171 3.469 4.120 -0.799 0.000 0.252 690 V C 2.148 178.343 176.094 0.168 0.000 1.065 690 V CA 1.002 63.422 62.300 0.200 0.000 1.083 690 V CB -2.060 29.814 31.823 0.085 0.000 0.692 690 V HN -0.070 nan 8.190 nan 0.000 0.468 691 F N 2.077 122.012 119.950 -0.025 0.000 2.091 691 F HA -0.228 3.820 4.527 -0.799 0.000 0.299 691 F C 2.545 178.497 175.800 0.252 0.000 1.103 691 F CA 2.465 60.481 58.000 0.027 0.000 1.228 691 F CB -0.299 38.551 39.000 -0.250 0.000 0.984 691 F HN 0.275 nan 8.300 nan 0.000 0.477 692 H N -1.060 118.360 119.070 0.583 0.000 2.547 692 H HA 0.079 4.156 4.556 -0.799 0.000 0.266 692 H C 0.323 175.902 175.328 0.418 0.000 0.988 692 H CA 0.331 56.667 56.048 0.481 0.000 1.147 692 H CB -0.289 29.732 29.762 0.433 0.000 1.365 692 H HN 0.266 nan 8.280 nan 0.000 0.589 693 Q N 2.029 122.116 119.800 0.478 0.000 2.340 693 Q HA 0.146 4.007 4.340 -0.799 0.000 0.259 693 Q C -0.575 175.669 176.000 0.408 0.000 0.964 693 Q CA -0.397 55.637 55.803 0.385 0.000 0.900 693 Q CB 0.696 29.632 28.738 0.331 0.000 1.228 693 Q HN 0.221 nan 8.270 nan 0.000 0.449 694 E N 3.517 123.901 120.200 0.307 0.000 2.392 694 E HA 0.196 4.067 4.350 -0.799 0.000 0.264 694 E C -0.583 176.166 176.600 0.249 0.000 1.024 694 E CA 0.411 56.952 56.400 0.235 0.000 0.903 694 E CB 0.712 30.528 29.700 0.194 0.000 0.963 694 E HN 0.602 nan 8.360 nan 0.000 0.432 695 M N 2.806 122.557 119.600 0.253 0.000 2.386 695 M HA 0.336 4.337 4.480 -0.799 0.000 0.293 695 M C -1.052 175.374 176.300 0.210 0.000 1.120 695 M CA -0.530 54.934 55.300 0.275 0.000 0.909 695 M CB 1.732 34.543 32.600 0.352 0.000 1.661 695 M HN 0.227 nan 8.290 nan 0.000 0.452 696 L N 2.343 123.704 121.223 0.230 0.000 2.307 696 L HA 0.479 4.340 4.340 -0.799 0.000 0.282 696 L C -0.174 176.790 176.870 0.157 0.000 1.051 696 L CA -0.297 54.675 54.840 0.220 0.000 0.804 696 L CB 1.149 43.394 42.059 0.310 0.000 1.197 696 L HN 0.718 nan 8.230 nan 0.000 0.431 697 N N 2.780 121.562 118.700 0.138 0.000 2.443 697 N HA 0.459 4.720 4.740 -0.799 0.000 0.269 697 N C -1.633 173.947 175.510 0.117 0.000 0.985 697 N CA -0.477 52.586 53.050 0.020 0.000 0.921 697 N CB 1.136 39.647 38.487 0.040 0.000 1.195 697 N HN 0.450 nan 8.380 nan 0.000 0.492 698 Y N 0.235 120.558 120.300 0.039 0.000 2.644 698 Y HA 0.557 4.628 4.550 -0.798 0.000 0.338 698 Y C -0.886 175.020 175.900 0.010 0.000 1.119 698 Y CA -1.375 56.743 58.100 0.031 0.000 1.060 698 Y CB 0.996 39.488 38.460 0.053 0.000 1.294 698 Y HN 0.135 nan 8.280 nan 0.000 0.472 699 R N 1.806 122.413 120.500 0.177 0.000 2.310 699 R HA 0.611 4.471 4.340 -0.799 0.000 0.324 699 R C -1.459 174.901 176.300 0.099 0.000 0.955 699 R CA -0.492 55.649 56.100 0.068 0.000 0.830 699 R CB 1.134 31.456 30.300 0.037 0.000 1.154 699 R HN 0.628 nan 8.270 nan 0.000 0.458 700 L N 2.229 123.485 121.223 0.056 0.000 2.334 700 L HA 0.549 4.410 4.340 -0.799 0.000 0.273 700 L C 0.450 177.329 176.870 0.014 0.000 1.013 700 L CA -0.856 54.017 54.840 0.057 0.000 0.816 700 L CB 2.123 44.217 42.059 0.058 0.000 1.278 700 L HN 0.640 nan 8.230 nan 0.000 0.431 701 T N -0.666 113.907 114.554 0.033 0.000 2.945 701 T HA 0.561 4.432 4.350 -0.799 0.000 0.286 701 T C -2.616 172.134 174.700 0.083 0.000 1.025 701 T CA -2.247 59.867 62.100 0.024 0.000 1.039 701 T CB 1.489 70.374 68.868 0.029 0.000 1.068 701 T HN 0.211 nan 8.240 nan 0.000 0.497 702 P HA 0.248 nan 4.420 nan 0.000 0.268 702 P C -0.467 176.752 177.300 -0.136 0.000 1.208 702 P CA -0.161 62.910 63.100 -0.048 0.000 0.777 702 P CB 0.418 32.078 31.700 -0.067 0.000 0.875 703 S N 0.812 116.386 115.700 -0.210 0.000 2.627 703 S HA 0.672 4.663 4.470 -0.799 0.000 0.283 703 S C -1.191 173.183 174.600 -0.377 0.000 1.127 703 S CA -0.811 57.253 58.200 -0.225 0.000 0.863 703 S CB 0.853 63.987 63.200 -0.111 0.000 1.121 703 S HN 0.126 nan 8.310 nan 0.000 0.479 704 F N 1.436 121.309 119.950 -0.128 0.000 2.410 704 F HA 0.559 4.606 4.527 -0.800 0.000 0.349 704 F C 0.893 176.569 175.800 -0.208 0.000 1.117 704 F CA -0.341 57.570 58.000 -0.148 0.000 1.104 704 F CB 1.286 40.165 39.000 -0.202 0.000 1.122 704 F HN 0.504 nan 8.300 nan 0.000 0.483 705 E N 2.321 122.522 120.200 0.000 0.000 2.281 705 E HA 0.314 4.185 4.350 -0.799 0.000 0.262 705 E C -1.009 175.520 176.600 -0.119 0.000 0.933 705 E CA -0.856 55.478 56.400 -0.109 0.000 0.809 705 E CB 1.763 31.445 29.700 -0.030 0.000 1.242 705 E HN 0.470 nan 8.360 nan 0.000 0.418 706 Y N 0.583 120.896 120.300 0.021 0.000 2.295 706 Y HA 0.198 4.268 4.550 -0.800 0.000 0.331 706 Y C 0.982 176.875 175.900 -0.012 0.000 1.311 706 Y CA -0.118 57.984 58.100 0.003 0.000 1.430 706 Y CB 0.914 39.364 38.460 -0.017 0.000 1.339 706 Y HN 0.292 nan 8.280 nan 0.000 0.552 707 Q N -0.453 119.439 119.800 0.153 0.000 2.522 707 Q HA 0.524 4.385 4.340 -0.799 0.000 0.285 707 Q C -3.153 172.810 176.000 -0.061 0.000 0.982 707 Q CA -2.317 53.502 55.803 0.028 0.000 0.805 707 Q CB 1.455 30.196 28.738 0.006 0.000 1.457 707 Q HN 0.253 nan 8.270 nan 0.000 0.394 708 P HA 0.168 nan 4.420 nan 0.000 0.272 708 P C -0.964 176.109 177.300 -0.379 0.000 1.230 708 P CA -0.232 62.738 63.100 -0.216 0.000 0.788 708 P CB 0.372 31.957 31.700 -0.191 0.000 0.949 709 D N 2.355 122.403 120.400 -0.586 0.000 2.455 709 D HA -0.002 4.159 4.640 -0.799 0.000 0.241 709 D C -1.380 174.235 176.300 -1.142 0.000 1.138 709 D CA -1.017 52.321 54.000 -1.103 0.000 0.877 709 D CB 0.224 39.935 40.800 -1.816 0.000 1.187 709 D HN 0.183 nan 8.370 nan 0.000 0.451 710 P HA -0.136 nan 4.420 nan 0.000 0.216 710 P C 1.310 178.132 177.300 -0.797 0.000 1.150 710 P CA 1.185 63.705 63.100 -0.967 0.000 0.837 710 P CB -0.080 30.657 31.700 -1.605 0.000 0.786 711 W N -0.299 120.565 121.300 -0.726 0.000 2.392 711 W HA -0.034 4.144 4.660 -0.804 0.000 0.279 711 W C 1.367 177.898 176.519 0.019 0.000 1.225 711 W CA 0.570 57.790 57.345 -0.208 0.000 1.233 711 W CB -2.191 27.280 29.460 0.018 0.000 1.122 711 W HN -0.153 nan 8.180 nan 0.000 0.561 712 N N 0.469 118.995 118.700 -0.291 0.000 2.381 712 N HA -0.098 4.163 4.740 -0.799 0.000 0.182 712 N C 1.542 177.026 175.510 -0.043 0.000 1.025 712 N CA 2.349 55.333 53.050 -0.111 0.000 0.888 712 N CB -0.483 37.858 38.487 -0.244 0.000 0.965 712 N HN 0.566 nan 8.380 nan 0.000 0.438 713 T N -4.258 110.246 114.554 -0.083 0.000 2.958 713 T HA 0.053 3.924 4.350 -0.799 0.000 0.256 713 T C 0.521 175.229 174.700 0.012 0.000 0.983 713 T CA -0.317 61.757 62.100 -0.044 0.000 0.924 713 T CB -0.173 68.637 68.868 -0.097 0.000 1.136 713 T HN 0.096 nan 8.240 nan 0.000 0.506 714 H N 2.258 121.295 119.070 -0.055 0.000 2.964 714 H HA 0.409 4.489 4.556 -0.794 0.000 0.328 714 H C -0.316 174.992 175.328 -0.033 0.000 1.030 714 H CA -0.146 55.857 56.048 -0.076 0.000 1.445 714 H CB 0.581 30.276 29.762 -0.111 0.000 1.449 714 H HN 0.088 nan 8.280 nan 0.000 0.581 715 V N 6.935 126.419 119.914 -0.717 0.000 2.299 715 V HA 0.044 3.685 4.120 -0.799 0.000 0.255 715 V C 0.221 175.907 176.094 -0.680 0.000 1.100 715 V CA -0.748 61.272 62.300 -0.467 0.000 0.938 715 V CB -1.318 30.338 31.823 -0.278 0.000 1.139 715 V HN 0.703 nan 8.190 nan 0.000 0.490 716 W N 0.000 121.123 121.300 -0.295 0.000 2.388 716 W HA 0.000 4.177 4.660 -0.805 0.000 0.303 716 W CA 0.000 57.326 57.345 -0.032 0.000 1.226 716 W CB 0.000 29.533 29.460 0.122 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535