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 2g6k_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXV DATA SEQUENCE RTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRDY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 299 R HA 0.000 nan 4.340 nan 0.000 0.208 299 R C 0.000 176.575 176.300 0.458 0.000 0.893 299 R CA 0.000 56.293 56.100 0.322 0.000 0.921 299 R CB 0.000 30.521 30.300 0.368 0.000 0.687 300 F N 3.580 123.592 119.950 0.103 0.000 2.368 300 F HA 0.450 4.246 4.527 -1.218 0.000 0.362 300 F C 0.062 175.922 175.800 0.099 0.000 1.137 300 F CA -0.636 57.438 58.000 0.123 0.000 1.161 300 F CB 0.412 39.448 39.000 0.060 0.000 1.265 300 F HN 0.044 nan 8.300 nan 0.000 0.530 301 L N 4.105 125.453 121.223 0.208 0.000 2.395 301 L HA 0.406 4.015 4.340 -1.218 0.000 0.269 301 L C 0.147 177.079 176.870 0.103 0.000 1.133 301 L CA -0.551 54.328 54.840 0.064 0.000 0.812 301 L CB 0.927 42.895 42.059 -0.153 0.000 1.125 301 L HN 0.442 nan 8.230 nan 0.000 0.452 302 K N 1.641 122.083 120.400 0.070 0.000 2.318 302 K HA 0.678 4.266 4.320 -1.218 0.000 0.249 302 K C -1.262 175.353 176.600 0.024 0.000 0.942 302 K CA -0.757 55.562 56.287 0.054 0.000 0.808 302 K CB 2.716 35.236 32.500 0.033 0.000 1.189 302 K HN 0.413 nan 8.250 nan 0.000 0.428 303 V N -0.829 119.070 119.914 -0.023 0.000 2.588 303 V HA 0.548 3.937 4.120 -1.218 0.000 0.304 303 V C -0.779 175.252 176.094 -0.106 0.000 1.042 303 V CA -0.935 61.344 62.300 -0.035 0.000 0.877 303 V CB 1.545 33.351 31.823 -0.029 0.000 0.996 303 V HN 0.743 nan 8.190 nan 0.000 0.425 304 K N 3.634 123.977 120.400 -0.094 0.000 2.156 304 K HA 0.454 4.043 4.320 -1.218 0.000 0.254 304 K C -0.726 175.756 176.600 -0.197 0.000 0.950 304 K CA -0.704 55.437 56.287 -0.243 0.000 0.849 304 K CB 1.655 33.863 32.500 -0.487 0.000 1.100 304 K HN 0.917 nan 8.250 nan 0.000 0.434 305 N N 3.864 122.438 118.700 -0.210 0.000 2.437 305 N HA 0.090 4.099 4.740 -1.218 0.000 0.259 305 N C -0.284 175.154 175.510 -0.119 0.000 0.983 305 N CA -0.360 52.672 53.050 -0.031 0.000 0.937 305 N CB 0.484 38.975 38.487 0.008 0.000 1.122 305 N HN 0.659 nan 8.380 nan 0.000 0.499 306 W N 2.026 123.402 121.300 0.127 0.000 2.825 306 W HA 0.116 4.045 4.660 -1.219 0.000 0.243 306 W C 1.990 178.566 176.519 0.095 0.000 1.293 306 W CA -0.077 57.339 57.345 0.119 0.000 1.403 306 W CB 0.295 29.849 29.460 0.156 0.000 1.134 306 W HN 0.653 nan 8.180 nan 0.000 0.666 307 E N -0.185 120.140 120.200 0.210 0.000 2.276 307 E HA -0.093 3.526 4.350 -1.218 0.000 0.193 307 E C 1.755 178.367 176.600 0.018 0.000 0.983 307 E CA 1.597 58.025 56.400 0.048 0.000 0.861 307 E CB 0.229 29.874 29.700 -0.092 0.000 0.817 307 E HN 0.248 nan 8.360 nan 0.000 0.485 308 T N -3.327 111.233 114.554 0.010 0.000 2.959 308 T HA 0.128 3.747 4.350 -1.218 0.000 0.254 308 T C 0.539 175.203 174.700 -0.060 0.000 1.003 308 T CA 0.339 62.427 62.100 -0.021 0.000 0.950 308 T CB 0.444 69.303 68.868 -0.015 0.000 1.090 308 T HN 0.017 nan 8.240 nan 0.000 0.503 309 D N 0.165 120.496 120.400 -0.114 0.000 2.946 309 D HA -0.127 3.782 4.640 -1.218 0.000 0.202 309 D C 0.040 176.237 176.300 -0.171 0.000 1.068 309 D CA 0.554 54.443 54.000 -0.184 0.000 1.011 309 D CB -1.745 38.978 40.800 -0.129 0.000 1.105 309 D HN 0.439 nan 8.370 nan 0.000 0.425 310 V N 1.188 121.025 119.914 -0.128 0.000 2.673 310 V HA 0.118 3.507 4.120 -1.218 0.000 0.303 310 V C 0.877 176.877 176.094 -0.157 0.000 1.046 310 V CA 0.243 62.472 62.300 -0.117 0.000 1.126 310 V CB 1.621 33.390 31.823 -0.091 0.000 0.934 310 V HN -0.023 nan 8.190 nan 0.000 0.487 311 V N 6.643 126.472 119.914 -0.141 0.000 2.483 311 V HA 0.485 3.874 4.120 -1.218 0.000 0.297 311 V C -0.231 175.779 176.094 -0.140 0.000 1.027 311 V CA -0.502 61.708 62.300 -0.149 0.000 0.855 311 V CB 1.581 33.331 31.823 -0.123 0.000 0.995 311 V HN 0.617 nan 8.190 nan 0.000 0.424 312 L N 3.429 124.526 121.223 -0.210 0.000 2.331 312 L HA 0.698 4.307 4.340 -1.218 0.000 0.275 312 L C 0.141 176.968 176.870 -0.071 0.000 1.022 312 L CA -0.410 54.281 54.840 -0.249 0.000 0.812 312 L CB 2.197 43.771 42.059 -0.810 0.000 1.257 312 L HN 0.527 nan 8.230 nan 0.000 0.435 313 T N 0.229 114.860 114.554 0.129 0.000 2.794 313 T HA 0.222 3.841 4.350 -1.218 0.000 0.280 313 T C -0.757 174.150 174.700 0.346 0.000 0.987 313 T CA -0.450 61.773 62.100 0.205 0.000 0.993 313 T CB 1.475 70.451 68.868 0.180 0.000 0.939 313 T HN 0.443 nan 8.240 nan 0.000 0.449 314 D N 1.997 122.582 120.400 0.307 0.000 2.303 314 D HA 0.269 4.178 4.640 -1.218 0.000 0.236 314 D C 0.779 177.130 176.300 0.086 0.000 1.068 314 D CA -0.374 53.768 54.000 0.237 0.000 0.830 314 D CB 1.659 42.659 40.800 0.334 0.000 1.109 314 D HN 0.645 nan 8.370 nan 0.000 0.496 315 T N 0.938 115.393 114.554 -0.164 0.000 2.955 315 T HA -0.039 3.580 4.350 -1.218 0.000 0.251 315 T C 1.860 176.255 174.700 -0.508 0.000 1.002 315 T CA -0.213 61.594 62.100 -0.488 0.000 0.970 315 T CB 0.053 68.547 68.868 -0.622 0.000 1.091 315 T HN 0.240 nan 8.240 nan 0.000 0.495 316 L N 3.352 124.382 121.223 -0.323 0.000 2.127 316 L HA -0.135 3.474 4.340 -1.218 0.000 0.211 316 L C 2.593 179.205 176.870 -0.431 0.000 1.089 316 L CA 2.068 56.736 54.840 -0.286 0.000 0.757 316 L CB -1.012 40.956 42.059 -0.152 0.000 0.899 316 L HN 0.611 nan 8.230 nan 0.000 0.434 317 H N -1.118 117.537 119.070 -0.691 0.000 2.457 317 H HA -0.171 3.654 4.556 -1.219 0.000 0.297 317 H C 2.023 176.989 175.328 -0.604 0.000 1.092 317 H CA 1.653 56.944 56.048 -1.261 0.000 1.309 317 H CB -0.836 28.175 29.762 -1.252 0.000 1.382 317 H HN 0.449 nan 8.280 nan 0.000 0.535 318 L N 0.663 121.237 121.223 -1.082 0.000 2.265 318 L HA -0.135 3.474 4.340 -1.218 0.000 0.215 318 L C 2.068 178.729 176.870 -0.347 0.000 1.117 318 L CA 1.365 55.808 54.840 -0.662 0.000 0.782 318 L CB -0.246 41.441 42.059 -0.619 0.000 0.914 318 L HN 0.224 nan 8.230 nan 0.000 0.441 319 K N -0.501 119.713 120.400 -0.310 0.000 2.458 319 K HA 0.052 3.641 4.320 -1.218 0.000 0.194 319 K C 0.891 177.427 176.600 -0.108 0.000 1.024 319 K CA -0.161 56.023 56.287 -0.172 0.000 1.108 319 K CB 0.201 32.616 32.500 -0.141 0.000 0.846 319 K HN 0.072 nan 8.250 nan 0.000 0.518 320 S N 0.398 116.017 115.700 -0.136 0.000 2.558 320 S HA -0.041 3.698 4.470 -1.218 0.000 0.288 320 S C 1.058 175.652 174.600 -0.010 0.000 1.318 320 S CA 0.281 58.463 58.200 -0.030 0.000 1.056 320 S CB 0.970 64.153 63.200 -0.028 0.000 0.853 320 S HN 0.274 nan 8.310 nan 0.000 0.505 321 T N 4.068 118.635 114.554 0.023 0.000 3.028 321 T HA 0.331 3.950 4.350 -1.218 0.000 0.250 321 T C 0.493 175.208 174.700 0.025 0.000 0.979 321 T CA -0.096 62.014 62.100 0.016 0.000 1.004 321 T CB -0.260 68.618 68.868 0.016 0.000 1.120 321 T HN 0.559 nan 8.240 nan 0.000 0.482 322 L N 1.846 123.090 121.223 0.036 0.000 2.454 322 L HA 0.541 4.150 4.340 -1.218 0.000 0.256 322 L C 0.391 177.287 176.870 0.044 0.000 1.136 322 L CA -0.849 54.011 54.840 0.034 0.000 0.804 322 L CB 0.563 42.640 42.059 0.029 0.000 1.181 322 L HN 0.207 nan 8.230 nan 0.000 0.469 323 E N -0.700 119.523 120.200 0.038 0.000 2.280 323 E HA 0.161 3.780 4.350 -1.218 0.000 0.264 323 E C 0.144 176.772 176.600 0.047 0.000 1.064 323 E CA -0.013 56.412 56.400 0.042 0.000 0.900 323 E CB 1.341 31.061 29.700 0.034 0.000 1.123 323 E HN 0.714 nan 8.360 nan 0.000 0.418 324 T N -2.125 112.460 114.554 0.051 0.000 3.001 324 T HA 0.275 3.894 4.350 -1.218 0.000 0.251 324 T C 1.314 176.041 174.700 0.045 0.000 1.040 324 T CA 0.347 62.479 62.100 0.052 0.000 0.985 324 T CB 0.404 69.310 68.868 0.063 0.000 1.011 324 T HN 0.757 nan 8.240 nan 0.000 0.509 325 G N 0.558 109.383 108.800 0.041 0.000 2.258 325 G HA2 -0.266 2.963 3.960 -1.218 0.000 0.233 325 G HA3 -0.266 2.963 3.960 -1.218 0.000 0.233 325 G C 0.392 175.315 174.900 0.038 0.000 1.006 325 G CA -0.142 44.981 45.100 0.039 0.000 0.620 325 G HN 0.732 nan 8.290 nan 0.000 0.511 326 C N 1.247 120.569 119.300 0.038 0.000 2.403 326 C HA 0.898 4.627 4.460 -1.218 0.000 0.361 326 C C 1.036 176.043 174.990 0.029 0.000 1.274 326 C CA 0.714 59.752 59.018 0.033 0.000 2.433 326 C CB 1.014 28.772 27.740 0.030 0.000 2.323 326 C HN 1.153 nan 8.230 nan 0.000 0.614 327 T N -1.755 112.813 114.554 0.022 0.000 2.754 327 T HA 0.377 3.996 4.350 -1.218 0.000 0.296 327 T C -0.001 174.679 174.700 -0.033 0.000 1.205 327 T CA -0.509 61.599 62.100 0.012 0.000 1.009 327 T CB 1.064 69.962 68.868 0.049 0.000 1.368 327 T HN 0.519 nan 8.240 nan 0.000 0.509 328 E N -0.261 119.873 120.200 -0.111 0.000 2.418 328 E HA 0.036 3.655 4.350 -1.218 0.000 0.197 328 E C 1.222 177.619 176.600 -0.338 0.000 1.026 328 E CA 0.878 57.139 56.400 -0.232 0.000 0.862 328 E CB -0.194 29.313 29.700 -0.322 0.000 0.799 328 E HN 0.590 nan 8.360 nan 0.000 0.518 329 H N -0.883 118.192 119.070 0.008 0.000 2.740 329 H HA 0.424 4.249 4.556 -1.219 0.000 0.265 329 H C 0.070 175.401 175.328 0.005 0.000 0.978 329 H CA 0.090 56.141 56.048 0.006 0.000 1.198 329 H CB 1.159 30.925 29.762 0.007 0.000 1.467 329 H HN 0.107 nan 8.280 nan 0.000 0.511 330 I N 0.341 120.964 120.570 0.088 0.000 2.743 330 I HA 0.181 3.620 4.170 -1.218 0.000 0.292 330 I C -1.304 174.834 176.117 0.034 0.000 1.343 330 I CA -0.693 60.642 61.300 0.059 0.000 1.038 330 I CB 2.146 40.185 38.000 0.065 0.000 1.311 330 I HN -0.002 nan 8.210 nan 0.000 0.426 331 C N 7.523 126.837 119.300 0.024 0.000 2.319 331 C HA 0.589 4.318 4.460 -1.218 0.000 0.335 331 C C 0.708 175.714 174.990 0.027 0.000 1.274 331 C CA -0.437 58.593 59.018 0.019 0.000 1.806 331 C CB 0.748 28.491 27.740 0.004 0.000 2.329 331 C HN 0.863 nan 8.230 nan 0.000 0.524 332 M N 4.597 124.218 119.600 0.034 0.000 2.589 332 M HA 0.203 3.952 4.480 -1.218 0.000 0.344 332 M C 1.842 178.175 176.300 0.054 0.000 1.168 332 M CA 0.053 55.379 55.300 0.042 0.000 0.956 332 M CB 0.217 32.842 32.600 0.042 0.000 1.370 332 M HN 0.985 nan 8.290 nan 0.000 0.518 333 G N 1.407 110.238 108.800 0.052 0.000 2.517 333 G HA2 -0.261 2.968 3.960 -1.218 0.000 0.222 333 G HA3 -0.261 2.968 3.960 -1.218 0.000 0.222 333 G C 1.455 176.421 174.900 0.109 0.000 1.109 333 G CA 1.721 46.864 45.100 0.072 0.000 0.746 333 G HN 0.584 nan 8.290 nan 0.000 0.576 334 S N -0.467 115.292 115.700 0.099 0.000 2.556 334 S HA 0.356 4.095 4.470 -1.218 0.000 0.216 334 S C 0.670 175.346 174.600 0.126 0.000 0.970 334 S CA -0.621 57.656 58.200 0.127 0.000 0.912 334 S CB 0.136 63.394 63.200 0.097 0.000 0.790 334 S HN 0.043 nan 8.310 nan 0.000 0.504 335 I N 2.805 123.436 120.570 0.103 0.000 2.396 335 I HA 0.199 3.638 4.170 -1.218 0.000 0.289 335 I C 1.640 177.825 176.117 0.114 0.000 1.056 335 I CA -0.081 61.271 61.300 0.088 0.000 1.365 335 I CB 0.197 38.233 38.000 0.060 0.000 1.407 335 I HN 0.298 nan 8.210 nan 0.000 0.509 336 M N 5.787 125.459 119.600 0.121 0.000 2.108 336 M HA -0.118 3.631 4.480 -1.218 0.000 0.261 336 M C 0.427 176.744 176.300 0.029 0.000 1.066 336 M CA 1.924 57.309 55.300 0.142 0.000 1.107 336 M CB -0.111 32.559 32.600 0.117 0.000 1.356 336 M HN 0.405 nan 8.290 nan 0.000 0.406 337 L N 0.372 121.585 121.223 -0.017 0.000 2.457 337 L HA 0.375 3.984 4.340 -1.218 0.000 0.252 337 L C -2.185 174.693 176.870 0.014 0.000 1.132 337 L CA -1.652 53.163 54.840 -0.041 0.000 0.938 337 L CB 0.034 42.015 42.059 -0.130 0.000 1.246 337 L HN -0.011 nan 8.230 nan 0.000 0.476 349 R N 2.033 122.534 120.500 0.003 0.000 2.486 349 R HA 0.676 4.284 4.340 -1.218 0.000 0.286 349 R C -0.163 176.150 176.300 0.023 0.000 0.999 349 R CA 0.062 56.170 56.100 0.014 0.000 0.993 349 R CB 1.760 32.071 30.300 0.019 0.000 1.084 349 R HN 0.930 nan 8.270 nan 0.000 0.487 350 T N -1.598 112.973 114.554 0.028 0.000 2.918 350 T HA 0.202 3.820 4.350 -1.218 0.000 0.283 350 T C 1.005 175.731 174.700 0.044 0.000 1.001 350 T CA -0.878 61.240 62.100 0.030 0.000 1.041 350 T CB 1.346 70.229 68.868 0.025 0.000 1.028 350 T HN 0.477 nan 8.240 nan 0.000 0.511 351 K N 0.522 120.947 120.400 0.042 0.000 2.160 351 K HA -0.147 3.442 4.320 -1.218 0.000 0.206 351 K C 1.331 177.975 176.600 0.073 0.000 1.047 351 K CA 1.838 58.158 56.287 0.054 0.000 0.930 351 K CB -0.176 32.341 32.500 0.029 0.000 0.720 351 K HN 0.606 nan 8.250 nan 0.000 0.450 352 D N 0.576 121.010 120.400 0.057 0.000 2.194 352 D HA -0.099 3.810 4.640 -1.218 0.000 0.204 352 D C 1.864 178.209 176.300 0.076 0.000 0.964 352 D CA 1.017 55.057 54.000 0.066 0.000 0.846 352 D CB 0.010 40.835 40.800 0.042 0.000 0.962 352 D HN 0.318 nan 8.370 nan 0.000 0.490 353 Q N -0.290 119.547 119.800 0.060 0.000 2.163 353 Q HA 0.013 3.622 4.340 -1.218 0.000 0.198 353 Q C 1.947 177.982 176.000 0.058 0.000 0.954 353 Q CA 0.269 56.102 55.803 0.050 0.000 0.851 353 Q CB 0.033 28.793 28.738 0.037 0.000 0.928 353 Q HN 0.146 nan 8.270 nan 0.000 0.459 354 L N 0.452 121.721 121.223 0.077 0.000 1.994 354 L HA -0.135 3.473 4.340 -1.218 0.000 0.208 354 L C 2.091 179.005 176.870 0.074 0.000 1.071 354 L CA 1.664 56.558 54.840 0.090 0.000 0.745 354 L CB -0.811 41.319 42.059 0.119 0.000 0.892 354 L HN 0.130 nan 8.230 nan 0.000 0.431 355 F N 1.895 121.828 119.950 -0.028 0.000 2.091 355 F HA -0.148 3.647 4.527 -1.219 0.000 0.299 355 F C -0.508 175.276 175.800 -0.026 0.000 1.103 355 F CA 2.055 60.019 58.000 -0.060 0.000 1.228 355 F CB -1.797 37.170 39.000 -0.055 0.000 0.984 355 F HN 0.215 nan 8.300 nan 0.000 0.477 356 P HA -0.217 nan 4.420 nan 0.000 0.215 356 P C 2.147 179.338 177.300 -0.183 0.000 1.153 356 P CA 1.949 64.933 63.100 -0.193 0.000 0.853 356 P CB -0.303 31.381 31.700 -0.025 0.000 0.788 357 L N -0.434 120.734 121.223 -0.091 0.000 2.017 357 L HA -0.158 3.451 4.340 -1.218 0.000 0.208 357 L C 2.920 179.784 176.870 -0.009 0.000 1.073 357 L CA 1.760 56.587 54.840 -0.022 0.000 0.745 357 L CB -1.430 40.641 42.059 0.019 0.000 0.894 357 L HN -0.049 nan 8.230 nan 0.000 0.432 358 A N 0.169 122.929 122.820 -0.100 0.000 1.883 358 A HA -0.271 3.318 4.320 -1.218 0.000 0.217 358 A C 2.420 179.941 177.584 -0.105 0.000 1.186 358 A CA 2.118 54.103 52.037 -0.087 0.000 0.624 358 A CB -0.508 18.241 19.000 -0.418 0.000 0.822 358 A HN 0.346 nan 8.150 nan 0.000 0.444 359 K N -0.228 119.934 120.400 -0.398 0.000 2.032 359 K HA -0.235 3.354 4.320 -1.218 0.000 0.209 359 K C 2.133 178.705 176.600 -0.046 0.000 1.048 359 K CA 1.756 57.861 56.287 -0.304 0.000 0.927 359 K CB -0.232 31.960 32.500 -0.514 0.000 0.712 359 K HN 0.645 nan 8.250 nan 0.000 0.441 360 E N -0.180 120.004 120.200 -0.027 0.000 2.049 360 E HA -0.263 3.356 4.350 -1.218 0.000 0.198 360 E C 1.932 178.607 176.600 0.124 0.000 1.007 360 E CA 1.707 58.139 56.400 0.053 0.000 0.809 360 E CB -0.312 29.420 29.700 0.052 0.000 0.749 360 E HN 0.367 nan 8.360 nan 0.000 0.450 361 F N 1.367 121.338 119.950 0.035 0.000 2.069 361 F HA -0.180 3.617 4.527 -1.217 0.000 0.298 361 F C 2.079 177.951 175.800 0.119 0.000 1.113 361 F CA 1.623 59.676 58.000 0.088 0.000 1.214 361 F CB -0.463 38.598 39.000 0.102 0.000 0.978 361 F HN 0.023 nan 8.300 nan 0.000 0.474 362 L N 0.013 121.221 121.223 -0.025 0.000 2.079 362 L HA -0.239 3.369 4.340 -1.218 0.000 0.210 362 L C 2.221 179.097 176.870 0.010 0.000 1.081 362 L CA 1.462 56.299 54.840 -0.005 0.000 0.752 362 L CB -0.905 41.285 42.059 0.219 0.000 0.896 362 L HN 0.146 nan 8.230 nan 0.000 0.433 363 D N -0.104 120.350 120.400 0.089 0.000 2.117 363 D HA -0.207 3.702 4.640 -1.218 0.000 0.197 363 D C 2.272 178.603 176.300 0.052 0.000 0.987 363 D CA 1.573 55.695 54.000 0.203 0.000 0.829 363 D CB -0.163 40.852 40.800 0.358 0.000 0.961 363 D HN 0.587 nan 8.370 nan 0.000 0.460 364 Q N -0.301 119.457 119.800 -0.070 0.000 2.123 364 Q HA -0.188 3.421 4.340 -1.218 0.000 0.199 364 Q C 2.257 178.049 176.000 -0.346 0.000 0.966 364 Q CA 0.854 56.571 55.803 -0.143 0.000 0.845 364 Q CB -0.721 27.990 28.738 -0.046 0.000 0.907 364 Q HN 0.292 nan 8.270 nan 0.000 0.439 365 Y N 0.948 120.801 120.300 -0.745 0.000 2.128 365 Y HA -0.272 3.548 4.550 -1.217 0.000 0.284 365 Y C 1.588 176.988 175.900 -0.834 0.000 1.154 365 Y CA 1.516 58.898 58.100 -1.196 0.000 1.149 365 Y CB -0.596 37.022 38.460 -1.403 0.000 0.976 365 Y HN 0.100 nan 8.280 nan 0.000 0.505 366 Y N -0.823 119.008 120.300 -0.782 0.000 2.293 366 Y HA -0.164 3.655 4.550 -1.218 0.000 0.291 366 Y C 3.072 178.714 175.900 -0.429 0.000 1.137 366 Y CA 1.699 59.363 58.100 -0.727 0.000 1.202 366 Y CB -0.686 37.290 38.460 -0.807 0.000 0.990 366 Y HN 0.213 nan 8.280 nan 0.000 0.537 367 S N -0.515 115.104 115.700 -0.135 0.000 2.383 367 S HA -0.188 3.551 4.470 -1.218 0.000 0.227 367 S C 2.300 176.789 174.600 -0.186 0.000 1.026 367 S CA 1.442 59.588 58.200 -0.091 0.000 0.981 367 S CB -0.587 62.480 63.200 -0.222 0.000 0.818 367 S HN 0.583 nan 8.310 nan 0.000 0.472 368 S N 1.871 117.395 115.700 -0.294 0.000 2.423 368 S HA -0.012 3.727 4.470 -1.218 0.000 0.231 368 S C 1.608 176.065 174.600 -0.238 0.000 1.014 368 S CA 0.929 58.997 58.200 -0.220 0.000 0.965 368 S CB -0.894 62.184 63.200 -0.204 0.000 0.785 368 S HN 0.814 nan 8.310 nan 0.000 0.495 369 I N -2.416 117.915 120.570 -0.398 0.000 3.891 369 I HA 0.432 3.871 4.170 -1.218 0.000 0.331 369 I C 0.003 176.010 176.117 -0.183 0.000 1.406 369 I CA -0.586 60.519 61.300 -0.324 0.000 1.139 369 I CB -0.531 37.150 38.000 -0.532 0.000 1.056 369 I HN 0.014 nan 8.210 nan 0.000 0.399 370 K N 1.688 122.014 120.400 -0.123 0.000 3.069 370 K HA -0.171 3.417 4.320 -1.218 0.000 0.267 370 K C 0.227 176.825 176.600 -0.004 0.000 1.082 370 K CA 0.701 56.961 56.287 -0.044 0.000 0.782 370 K CB -1.292 31.187 32.500 -0.035 0.000 1.230 370 K HN 0.591 nan 8.250 nan 0.000 0.488 371 R N 0.357 120.865 120.500 0.013 0.000 2.727 371 R HA 0.139 3.748 4.340 -1.218 0.000 0.410 371 R C -0.565 175.804 176.300 0.115 0.000 1.101 371 R CA -0.472 55.672 56.100 0.074 0.000 1.045 371 R CB 0.269 30.641 30.300 0.120 0.000 1.380 371 R HN 0.071 nan 8.270 nan 0.000 0.587 372 F N 1.228 121.172 119.950 -0.010 0.000 2.541 372 F HA 0.212 4.008 4.527 -1.219 0.000 0.378 372 F C 1.309 177.195 175.800 0.145 0.000 1.068 372 F CA 0.978 59.001 58.000 0.039 0.000 1.199 372 F CB 0.768 39.766 39.000 -0.004 0.000 1.091 372 F HN 0.502 nan 8.300 nan 0.000 0.555 373 G N 3.861 112.474 108.800 -0.311 0.000 2.246 373 G HA2 -0.224 3.004 3.960 -1.218 0.000 0.273 373 G HA3 -0.224 3.004 3.960 -1.218 0.000 0.273 373 G C 0.105 174.877 174.900 -0.214 0.000 1.055 373 G CA 0.340 45.182 45.100 -0.430 0.000 0.851 373 G HN 1.124 nan 8.290 nan 0.000 0.500 374 S N -1.488 114.134 115.700 -0.130 0.000 2.707 374 S HA 0.643 4.381 4.470 -1.218 0.000 0.276 374 S C 1.414 175.928 174.600 -0.144 0.000 1.179 374 S CA 0.198 58.341 58.200 -0.095 0.000 0.992 374 S CB 1.980 65.160 63.200 -0.033 0.000 1.030 374 S HN 0.364 nan 8.310 nan 0.000 0.554 375 K N 0.230 120.569 120.400 -0.101 0.000 2.026 375 K HA -0.084 3.505 4.320 -1.218 0.000 0.208 375 K C 2.298 178.828 176.600 -0.117 0.000 1.048 375 K CA 1.266 57.491 56.287 -0.103 0.000 0.929 375 K CB -0.950 31.513 32.500 -0.061 0.000 0.713 375 K HN 0.742 nan 8.250 nan 0.000 0.439 376 A N 0.893 123.665 122.820 -0.081 0.000 1.892 376 A HA -0.275 3.314 4.320 -1.218 0.000 0.218 376 A C 2.056 179.468 177.584 -0.286 0.000 1.188 376 A CA 2.029 54.031 52.037 -0.059 0.000 0.631 376 A CB -1.127 17.924 19.000 0.085 0.000 0.822 376 A HN 0.659 nan 8.150 nan 0.000 0.447 377 H N -1.240 117.400 119.070 -0.717 0.000 2.267 377 H HA -0.159 3.666 4.556 -1.218 0.000 0.297 377 H C 2.154 177.112 175.328 -0.616 0.000 1.080 377 H CA 1.665 56.968 56.048 -1.242 0.000 1.278 377 H CB -0.102 29.099 29.762 -0.934 0.000 1.365 377 H HN 0.353 nan 8.280 nan 0.000 0.489 378 M N 0.917 120.259 119.600 -0.429 0.000 2.080 378 M HA -0.164 3.585 4.480 -1.218 0.000 0.260 378 M C 1.756 177.939 176.300 -0.195 0.000 1.068 378 M CA 1.216 56.302 55.300 -0.358 0.000 1.109 378 M CB -0.873 31.557 32.600 -0.282 0.000 1.342 378 M HN 0.349 nan 8.290 nan 0.000 0.405 379 D N 0.120 120.432 120.400 -0.146 0.000 2.088 379 D HA -0.189 3.720 4.640 -1.218 0.000 0.191 379 D C 2.010 178.294 176.300 -0.027 0.000 0.992 379 D CA 1.690 55.649 54.000 -0.069 0.000 0.831 379 D CB -0.446 40.330 40.800 -0.040 0.000 0.973 379 D HN 0.248 nan 8.370 nan 0.000 0.447 380 R N 0.438 120.934 120.500 -0.007 0.000 2.103 380 R HA -0.155 3.454 4.340 -1.218 0.000 0.242 380 R C 2.177 178.529 176.300 0.087 0.000 1.142 380 R CA 1.022 57.175 56.100 0.089 0.000 0.960 380 R CB -0.880 29.549 30.300 0.214 0.000 0.858 380 R HN 0.154 nan 8.270 nan 0.000 0.439 381 L N 0.892 122.135 121.223 0.033 0.000 2.012 381 L HA -0.145 3.464 4.340 -1.218 0.000 0.210 381 L C 2.190 179.122 176.870 0.103 0.000 1.073 381 L CA 2.357 57.240 54.840 0.073 0.000 0.748 381 L CB -0.877 41.158 42.059 -0.039 0.000 0.891 381 L HN 0.377 nan 8.230 nan 0.000 0.431 382 E N -0.230 119.981 120.200 0.019 0.000 2.072 382 E HA -0.260 3.359 4.350 -1.218 0.000 0.191 382 E C 2.157 178.758 176.600 0.002 0.000 0.985 382 E CA 1.656 58.051 56.400 -0.008 0.000 0.801 382 E CB -0.279 29.395 29.700 -0.042 0.000 0.750 382 E HN 0.622 nan 8.360 nan 0.000 0.452 383 E N -0.302 119.914 120.200 0.025 0.000 2.038 383 E HA -0.187 3.432 4.350 -1.218 0.000 0.195 383 E C 2.012 178.645 176.600 0.055 0.000 1.000 383 E CA 1.913 58.336 56.400 0.039 0.000 0.803 383 E CB -0.070 29.667 29.700 0.061 0.000 0.750 383 E HN 0.205 nan 8.360 nan 0.000 0.448 384 V N 2.357 122.320 119.914 0.082 0.000 2.343 384 V HA -0.289 3.100 4.120 -1.218 0.000 0.247 384 V C 2.561 178.680 176.094 0.041 0.000 1.051 384 V CA 1.953 64.288 62.300 0.058 0.000 1.036 384 V CB -0.989 30.832 31.823 -0.003 0.000 0.654 384 V HN 0.438 nan 8.190 nan 0.000 0.451 385 N N 0.879 119.629 118.700 0.083 0.000 2.036 385 N HA -0.238 3.771 4.740 -1.218 0.000 0.195 385 N C 1.888 177.311 175.510 -0.146 0.000 1.037 385 N CA 2.087 55.063 53.050 -0.124 0.000 0.855 385 N CB -0.147 38.144 38.487 -0.326 0.000 1.033 385 N HN 0.523 nan 8.380 nan 0.000 0.423 386 K N 0.604 120.952 120.400 -0.085 0.000 2.026 386 K HA -0.161 3.428 4.320 -1.218 0.000 0.208 386 K C 2.047 178.634 176.600 -0.022 0.000 1.048 386 K CA 1.316 57.566 56.287 -0.062 0.000 0.929 386 K CB -0.236 32.242 32.500 -0.037 0.000 0.713 386 K HN 0.367 nan 8.250 nan 0.000 0.439 387 E N 1.156 121.366 120.200 0.017 0.000 2.097 387 E HA -0.218 3.401 4.350 -1.218 0.000 0.196 387 E C 1.924 178.560 176.600 0.060 0.000 1.000 387 E CA 1.193 57.627 56.400 0.056 0.000 0.804 387 E CB -0.025 29.741 29.700 0.111 0.000 0.740 387 E HN 0.263 nan 8.360 nan 0.000 0.454 388 I N 0.815 121.411 120.570 0.045 0.000 2.163 388 I HA -0.213 3.225 4.170 -1.218 0.000 0.240 388 I C 2.672 178.798 176.117 0.015 0.000 1.081 388 I CA 0.945 62.276 61.300 0.053 0.000 1.353 388 I CB -0.364 37.666 38.000 0.051 0.000 1.054 388 I HN 0.137 nan 8.210 nan 0.000 0.407 389 E N 0.529 120.708 120.200 -0.036 0.000 2.209 389 E HA -0.219 3.400 4.350 -1.218 0.000 0.196 389 E C 2.157 178.744 176.600 -0.021 0.000 0.993 389 E CA 1.469 57.840 56.400 -0.048 0.000 0.819 389 E CB -0.026 29.620 29.700 -0.090 0.000 0.745 389 E HN 0.354 nan 8.360 nan 0.000 0.477 390 S N -0.792 114.903 115.700 -0.009 0.000 2.324 390 S HA -0.063 3.676 4.470 -1.218 0.000 0.210 390 S C 1.964 176.572 174.600 0.014 0.000 1.027 390 S CA 1.710 59.911 58.200 0.002 0.000 0.945 390 S CB -0.366 62.837 63.200 0.005 0.000 0.908 390 S HN 0.410 nan 8.310 nan 0.000 0.496 391 T N 0.168 114.740 114.554 0.030 0.000 3.118 391 T HA 0.112 3.731 4.350 -1.218 0.000 0.260 391 T C 1.169 175.892 174.700 0.038 0.000 1.139 391 T CA 1.228 63.349 62.100 0.035 0.000 1.085 391 T CB -0.416 68.483 68.868 0.051 0.000 0.934 391 T HN 1.239 nan 8.240 nan 0.000 0.518 392 S N -1.068 114.657 115.700 0.042 0.000 3.261 392 S HA -0.204 3.535 4.470 -1.218 0.000 0.287 392 S C 0.267 174.912 174.600 0.075 0.000 1.281 392 S CA 1.266 59.493 58.200 0.045 0.000 1.053 392 S CB -2.776 60.439 63.200 0.025 0.000 1.251 392 S HN 1.305 nan 8.310 nan 0.000 0.659 393 T N -0.534 114.087 114.554 0.113 0.000 2.658 393 T HA 0.624 4.243 4.350 -1.218 0.000 0.305 393 T C -1.363 173.512 174.700 0.292 0.000 1.551 393 T CA -0.025 62.184 62.100 0.182 0.000 0.985 393 T CB 0.981 69.892 68.868 0.072 0.000 1.731 393 T HN 1.587 nan 8.240 nan 0.000 0.486 394 Y N -0.687 119.622 120.300 0.015 0.000 2.744 394 Y HA 0.842 4.662 4.550 -1.216 0.000 0.330 394 Y C -1.603 174.312 175.900 0.025 0.000 1.263 394 Y CA -1.307 56.813 58.100 0.034 0.000 1.065 394 Y CB 1.033 39.533 38.460 0.066 0.000 1.306 394 Y HN 0.507 nan 8.280 nan 0.000 0.459 395 Q N 1.890 121.681 119.800 -0.014 0.000 2.365 395 Q HA 0.494 4.103 4.340 -1.218 0.000 0.269 395 Q C -1.223 174.751 176.000 -0.043 0.000 1.061 395 Q CA -0.850 54.889 55.803 -0.106 0.000 0.816 395 Q CB 3.209 31.949 28.738 0.003 0.000 1.325 395 Q HN 0.763 nan 8.270 nan 0.000 0.446 396 L N 1.875 123.044 121.223 -0.090 0.000 2.395 396 L HA 0.293 3.902 4.340 -1.218 0.000 0.269 396 L C 0.800 177.682 176.870 0.021 0.000 1.133 396 L CA -0.619 54.223 54.840 0.004 0.000 0.812 396 L CB 0.433 42.471 42.059 -0.036 0.000 1.125 396 L HN 0.229 nan 8.230 nan 0.000 0.452 397 K N 1.323 121.746 120.400 0.037 0.000 2.132 397 K HA 0.037 3.626 4.320 -1.218 0.000 0.240 397 K C 0.531 177.113 176.600 -0.029 0.000 1.036 397 K CA -0.290 56.005 56.287 0.013 0.000 0.888 397 K CB 0.476 32.983 32.500 0.013 0.000 1.071 397 K HN 0.469 nan 8.250 nan 0.000 0.502 398 D N 0.432 120.815 120.400 -0.028 0.000 2.144 398 D HA -0.124 3.785 4.640 -1.218 0.000 0.200 398 D C 1.673 177.941 176.300 -0.053 0.000 0.978 398 D CA 1.795 55.769 54.000 -0.044 0.000 0.833 398 D CB -0.289 40.493 40.800 -0.029 0.000 0.961 398 D HN 0.708 nan 8.370 nan 0.000 0.470 399 T N -0.781 113.742 114.554 -0.052 0.000 2.803 399 T HA -0.156 3.463 4.350 -1.218 0.000 0.269 399 T C 1.769 176.366 174.700 -0.173 0.000 1.052 399 T CA 1.163 63.230 62.100 -0.055 0.000 1.136 399 T CB -0.262 68.605 68.868 -0.003 0.000 0.864 399 T HN 0.208 nan 8.240 nan 0.000 0.467 400 E N 0.584 120.626 120.200 -0.264 0.000 2.076 400 E HA 0.116 3.735 4.350 -1.218 0.000 0.190 400 E C 2.067 178.692 176.600 0.041 0.000 0.979 400 E CA 0.582 56.855 56.400 -0.213 0.000 0.807 400 E CB -0.245 29.409 29.700 -0.076 0.000 0.761 400 E HN 0.280 nan 8.360 nan 0.000 0.454 401 L N 1.295 122.485 121.223 -0.056 0.000 2.012 401 L HA -0.173 3.436 4.340 -1.218 0.000 0.210 401 L C 2.028 178.841 176.870 -0.095 0.000 1.073 401 L CA 1.602 56.363 54.840 -0.133 0.000 0.748 401 L CB -0.246 41.702 42.059 -0.186 0.000 0.891 401 L HN 0.133 nan 8.230 nan 0.000 0.431 402 I N -1.776 118.771 120.570 -0.039 0.000 2.179 402 I HA -0.346 3.093 4.170 -1.218 0.000 0.242 402 I C 2.400 178.587 176.117 0.115 0.000 1.088 402 I CA 1.729 63.030 61.300 0.000 0.000 1.357 402 I CB -0.456 37.547 38.000 0.005 0.000 1.051 402 I HN 0.369 nan 8.210 nan 0.000 0.409 403 Y N 1.584 121.928 120.300 0.074 0.000 2.224 403 Y HA -0.159 3.660 4.550 -1.219 0.000 0.289 403 Y C 2.325 178.382 175.900 0.262 0.000 1.146 403 Y CA 1.601 59.824 58.100 0.204 0.000 1.182 403 Y CB -0.622 37.938 38.460 0.166 0.000 0.983 403 Y HN 0.070 nan 8.280 nan 0.000 0.524 404 G N -0.126 108.816 108.800 0.236 0.000 2.402 404 G HA2 -0.217 3.012 3.960 -1.218 0.000 0.216 404 G HA3 -0.217 3.012 3.960 -1.218 0.000 0.216 404 G C 1.787 176.626 174.900 -0.101 0.000 1.162 404 G CA 0.827 45.955 45.100 0.046 0.000 0.777 404 G HN 0.588 nan 8.290 nan 0.000 0.539 405 A N 0.847 123.604 122.820 -0.104 0.000 1.873 405 A HA 0.036 3.625 4.320 -1.218 0.000 0.215 405 A C 2.296 179.905 177.584 0.041 0.000 1.186 405 A CA 1.892 53.862 52.037 -0.111 0.000 0.616 405 A CB -0.343 18.595 19.000 -0.102 0.000 0.823 405 A HN 0.350 nan 8.150 nan 0.000 0.442 406 K N -1.316 119.155 120.400 0.119 0.000 2.057 406 K HA -0.178 3.411 4.320 -1.218 0.000 0.207 406 K C 1.951 178.659 176.600 0.180 0.000 1.049 406 K CA 1.788 58.236 56.287 0.269 0.000 0.931 406 K CB -0.315 32.371 32.500 0.311 0.000 0.714 406 K HN 0.621 nan 8.250 nan 0.000 0.440 407 H N -0.190 118.815 119.070 -0.109 0.000 2.462 407 H HA 0.043 3.868 4.556 -1.219 0.000 0.292 407 H C 1.799 177.008 175.328 -0.198 0.000 1.049 407 H CA 1.088 56.964 56.048 -0.287 0.000 1.334 407 H CB -0.014 29.453 29.762 -0.492 0.000 1.404 407 H HN 0.259 nan 8.280 nan 0.000 0.544 408 A N 0.130 122.887 122.820 -0.105 0.000 1.930 408 A HA -0.180 3.409 4.320 -1.218 0.000 0.217 408 A C 2.010 179.627 177.584 0.055 0.000 1.175 408 A CA 1.290 53.176 52.037 -0.252 0.000 0.627 408 A CB -0.799 17.709 19.000 -0.819 0.000 0.815 408 A HN 0.593 nan 8.150 nan 0.000 0.443 409 W N 0.903 122.212 121.300 0.016 0.000 2.407 409 W HA -0.053 3.878 4.660 -1.215 0.000 0.305 409 W C 2.254 178.722 176.519 -0.084 0.000 1.196 409 W CA 1.287 58.660 57.345 0.046 0.000 1.311 409 W CB -0.674 28.794 29.460 0.013 0.000 1.135 409 W HN 0.336 nan 8.180 nan 0.000 0.514 410 R N 0.330 120.757 120.500 -0.121 0.000 2.139 410 R HA -0.190 3.419 4.340 -1.218 0.000 0.243 410 R C 1.396 177.512 176.300 -0.307 0.000 1.145 410 R CA 1.808 57.588 56.100 -0.533 0.000 0.976 410 R CB -0.441 29.155 30.300 -1.173 0.000 0.866 410 R HN 0.116 nan 8.270 nan 0.000 0.449 411 N N -0.003 118.593 118.700 -0.173 0.000 2.336 411 N HA 0.032 4.041 4.740 -1.218 0.000 0.189 411 N C -0.395 175.082 175.510 -0.055 0.000 1.113 411 N CA 0.491 53.470 53.050 -0.117 0.000 0.858 411 N CB 0.664 39.094 38.487 -0.095 0.000 0.970 411 N HN 0.121 nan 8.380 nan 0.000 0.471 412 A N 1.224 124.061 122.820 0.028 0.000 2.655 412 A HA 0.154 3.743 4.320 -1.218 0.000 0.297 412 A C 1.426 179.003 177.584 -0.012 0.000 1.461 412 A CA -0.200 51.855 52.037 0.031 0.000 1.146 412 A CB -0.343 18.721 19.000 0.106 0.000 1.108 412 A HN 0.279 nan 8.150 nan 0.000 0.550 413 S N 2.486 118.141 115.700 -0.074 0.000 2.465 413 S HA -0.181 3.558 4.470 -1.218 0.000 0.241 413 S C 1.481 176.040 174.600 -0.068 0.000 1.000 413 S CA 1.236 59.393 58.200 -0.073 0.000 0.964 413 S CB -0.213 62.909 63.200 -0.129 0.000 0.763 413 S HN 0.765 nan 8.310 nan 0.000 0.512 414 R N -0.478 119.949 120.500 -0.121 0.000 2.317 414 R HA 0.263 3.872 4.340 -1.218 0.000 0.208 414 R C 0.201 176.511 176.300 0.017 0.000 0.914 414 R CA 0.020 56.056 56.100 -0.107 0.000 1.060 414 R CB -0.067 29.953 30.300 -0.467 0.000 1.015 414 R HN 0.432 nan 8.270 nan 0.000 0.498 415 C N 0.620 119.925 119.300 0.007 0.000 2.325 415 C HA 0.221 3.950 4.460 -1.218 0.000 0.347 415 C C 1.901 176.888 174.990 -0.006 0.000 1.263 415 C CA -0.638 58.415 59.018 0.058 0.000 1.806 415 C CB 0.689 28.523 27.740 0.157 0.000 2.405 415 C HN 0.261 nan 8.230 nan 0.000 0.537 416 V N 5.929 125.802 119.914 -0.067 0.000 3.406 416 V HA 0.207 3.596 4.120 -1.218 0.000 0.263 416 V C 1.786 177.951 176.094 0.120 0.000 1.172 416 V CA 2.035 64.225 62.300 -0.182 0.000 1.140 416 V CB -0.116 31.592 31.823 -0.191 0.000 0.784 416 V HN 1.076 nan 8.190 nan 0.000 0.467 417 G N -0.551 108.327 108.800 0.131 0.000 3.383 417 G HA2 0.050 3.279 3.960 -1.218 0.000 0.251 417 G HA3 0.050 3.279 3.960 -1.218 0.000 0.251 417 G C 1.192 176.129 174.900 0.061 0.000 1.203 417 G CA -0.351 44.829 45.100 0.134 0.000 0.852 417 G HN 0.438 nan 8.290 nan 0.000 0.531 418 R N -0.206 120.263 120.500 -0.052 0.000 2.316 418 R HA 0.159 3.768 4.340 -1.218 0.000 0.202 418 R C 1.962 177.741 176.300 -0.868 0.000 1.029 418 R CA 0.040 55.820 56.100 -0.533 0.000 1.018 418 R CB -0.110 29.968 30.300 -0.370 0.000 0.888 418 R HN 0.448 nan 8.270 nan 0.000 0.471 419 I N 0.899 121.089 120.570 -0.633 0.000 2.700 419 I HA -0.237 3.202 4.170 -1.218 0.000 0.261 419 I C 1.204 177.158 176.117 -0.273 0.000 1.219 419 I CA 1.255 62.306 61.300 -0.414 0.000 1.463 419 I CB 0.188 38.149 38.000 -0.065 0.000 1.092 419 I HN 0.205 nan 8.210 nan 0.000 0.452 420 Q N 0.493 120.074 119.800 -0.364 0.000 2.360 420 Q HA -0.083 3.526 4.340 -1.218 0.000 0.202 420 Q C 1.591 177.094 176.000 -0.827 0.000 0.915 420 Q CA 0.257 55.835 55.803 -0.374 0.000 0.943 420 Q CB -0.141 28.552 28.738 -0.075 0.000 1.064 420 Q HN 0.766 nan 8.270 nan 0.000 0.511 421 W N 1.360 121.914 121.300 -1.244 0.000 2.304 421 W HA -0.259 3.669 4.660 -1.220 0.000 0.315 421 W C 1.373 177.540 176.519 -0.587 0.000 1.233 421 W CA 1.703 58.188 57.345 -1.434 0.000 1.261 421 W CB -1.382 27.419 29.460 -1.097 0.000 1.150 421 W HN 0.178 nan 8.180 nan 0.000 0.494 422 S N 0.800 115.427 115.700 -1.788 0.000 2.555 422 S HA -0.040 3.699 4.470 -1.218 0.000 0.230 422 S C 1.398 175.648 174.600 -0.584 0.000 0.978 422 S CA 0.852 58.186 58.200 -1.444 0.000 0.934 422 S CB -0.482 61.735 63.200 -1.638 0.000 0.766 422 S HN 0.400 nan 8.310 nan 0.000 0.533 423 K N 0.641 120.812 120.400 -0.382 0.000 2.387 423 K HA 0.286 3.875 4.320 -1.218 0.000 0.198 423 K C -0.127 176.484 176.600 0.018 0.000 1.022 423 K CA -0.393 55.813 56.287 -0.135 0.000 1.128 423 K CB -0.063 32.400 32.500 -0.063 0.000 0.853 423 K HN 0.305 nan 8.250 nan 0.000 0.523 424 L N 2.302 123.582 121.223 0.096 0.000 2.559 424 L HA -0.057 3.552 4.340 -1.218 0.000 0.274 424 L C -0.004 176.842 176.870 -0.039 0.000 1.205 424 L CA 0.547 55.482 54.840 0.158 0.000 0.907 424 L CB 0.342 42.570 42.059 0.282 0.000 1.153 424 L HN 0.048 nan 8.230 nan 0.000 0.490 425 Q N 3.890 123.609 119.800 -0.134 0.000 2.296 425 Q HA 0.457 4.065 4.340 -1.218 0.000 0.257 425 Q C -1.428 174.216 176.000 -0.593 0.000 0.942 425 Q CA -0.316 55.253 55.803 -0.390 0.000 0.939 425 Q CB 1.129 29.568 28.738 -0.498 0.000 1.198 425 Q HN 0.521 nan 8.270 nan 0.000 0.429 426 V N 5.722 125.305 119.914 -0.552 0.000 2.370 426 V HA 0.430 3.819 4.120 -1.218 0.000 0.279 426 V C -0.718 175.020 176.094 -0.593 0.000 1.029 426 V CA -0.564 61.451 62.300 -0.475 0.000 0.870 426 V CB 0.504 32.170 31.823 -0.261 0.000 0.984 426 V HN 0.646 nan 8.190 nan 0.000 0.451 427 F N 2.649 122.455 119.950 -0.241 0.000 2.361 427 F HA 0.363 4.163 4.527 -1.211 0.000 0.364 427 F C 0.467 176.088 175.800 -0.298 0.000 1.117 427 F CA -1.239 56.619 58.000 -0.238 0.000 1.071 427 F CB 1.028 39.896 39.000 -0.218 0.000 1.188 427 F HN 0.450 nan 8.300 nan 0.000 0.464 428 D N 3.329 123.682 120.400 -0.078 0.000 2.359 428 D HA 0.313 4.222 4.640 -1.218 0.000 0.250 428 D C 0.230 176.355 176.300 -0.292 0.000 1.264 428 D CA 0.185 54.068 54.000 -0.196 0.000 0.911 428 D CB 1.018 41.745 40.800 -0.123 0.000 1.056 428 D HN 0.598 nan 8.370 nan 0.000 0.499 429 A N 4.734 127.206 122.820 -0.581 0.000 2.713 429 A HA 0.161 3.750 4.320 -1.218 0.000 0.296 429 A C 1.652 178.947 177.584 -0.481 0.000 1.255 429 A CA -0.417 51.056 52.037 -0.939 0.000 0.955 429 A CB -0.010 17.914 19.000 -1.794 0.000 1.149 429 A HN 0.550 nan 8.150 nan 0.000 0.538 430 R N 0.527 120.861 120.500 -0.276 0.000 2.237 430 R HA -0.099 3.510 4.340 -1.218 0.000 0.219 430 R C 0.703 176.958 176.300 -0.075 0.000 1.080 430 R CA 1.298 57.306 56.100 -0.154 0.000 0.995 430 R CB 0.023 30.275 30.300 -0.081 0.000 0.875 430 R HN 0.684 nan 8.270 nan 0.000 0.462 431 D N -0.708 119.680 120.400 -0.021 0.000 2.340 431 D HA -0.055 3.854 4.640 -1.218 0.000 0.220 431 D C 0.427 176.810 176.300 0.138 0.000 1.039 431 D CA -0.227 53.814 54.000 0.069 0.000 0.866 431 D CB -0.521 40.339 40.800 0.100 0.000 0.913 431 D HN -0.011 nan 8.370 nan 0.000 0.523 432 C N 0.945 120.324 119.300 0.130 0.000 2.689 432 C HA 0.456 4.185 4.460 -1.218 0.000 0.409 432 C C 1.746 176.921 174.990 0.308 0.000 1.293 432 C CA 0.855 60.036 59.018 0.271 0.000 2.136 432 C CB 0.188 28.127 27.740 0.332 0.000 2.719 432 C HN 0.590 nan 8.230 nan 0.000 0.644 433 T N -0.382 114.388 114.554 0.360 0.000 3.131 433 T HA 0.276 3.895 4.350 -1.218 0.000 0.283 433 T C 0.064 174.920 174.700 0.259 0.000 0.906 433 T CA 0.563 62.881 62.100 0.364 0.000 0.882 433 T CB -0.242 68.764 68.868 0.229 0.000 1.208 433 T HN 0.939 nan 8.240 nan 0.000 0.561 434 T N -1.775 112.926 114.554 0.245 0.000 2.843 434 T HA 0.798 4.417 4.350 -1.218 0.000 0.302 434 T C 1.374 176.159 174.700 0.141 0.000 1.232 434 T CA -0.238 61.959 62.100 0.161 0.000 1.009 434 T CB 1.290 70.268 68.868 0.183 0.000 1.254 434 T HN 0.096 nan 8.240 nan 0.000 0.504 435 A N 0.138 123.030 122.820 0.120 0.000 1.940 435 A HA -0.087 3.502 4.320 -1.218 0.000 0.219 435 A C 1.939 179.482 177.584 -0.068 0.000 1.176 435 A CA 2.009 54.100 52.037 0.089 0.000 0.631 435 A CB -1.433 17.714 19.000 0.244 0.000 0.814 435 A HN 0.995 nan 8.150 nan 0.000 0.446 436 H N -0.818 118.314 119.070 0.104 0.000 2.353 436 H HA 0.005 5.403 4.556 1.403 0.000 0.300 436 H C 2.405 177.733 175.328 -0.000 0.000 1.090 436 H CA 1.572 57.621 56.048 0.002 0.000 1.327 436 H CB -0.366 29.491 29.762 0.159 0.000 1.383 436 H HN 0.482 nan 8.280 nan 0.000 0.508 437 G N 0.228 109.146 108.800 0.196 0.000 2.446 437 G HA2 -0.289 2.940 3.960 -1.218 0.000 0.217 437 G HA3 -0.289 2.940 3.960 -1.218 0.000 0.217 437 G C 1.620 176.665 174.900 0.240 0.000 1.168 437 G CA 1.185 46.405 45.100 0.201 0.000 0.771 437 G HN 0.289 nan 8.290 nan 0.000 0.551 438 M N -0.480 119.206 119.600 0.142 0.000 2.117 438 M HA 0.039 3.788 4.480 -1.218 0.000 0.262 438 M C 2.317 178.639 176.300 0.037 0.000 1.065 438 M CA 1.289 56.609 55.300 0.033 0.000 1.114 438 M CB -0.410 31.971 32.600 -0.365 0.000 1.361 438 M HN 0.302 nan 8.290 nan 0.000 0.408 439 F N 1.325 121.062 119.950 -0.354 0.000 2.134 439 F HA -0.264 3.611 4.527 -1.086 0.000 0.299 439 F C 2.106 177.785 175.800 -0.201 0.000 1.097 439 F CA 1.866 59.578 58.000 -0.479 0.000 1.264 439 F CB -0.256 38.011 39.000 -1.222 0.000 1.001 439 F HN 0.164 nan 8.300 nan 0.000 0.479 440 N N -0.251 118.290 118.700 -0.266 0.000 2.058 440 N HA -0.260 3.749 4.740 -1.218 0.000 0.191 440 N C 1.837 177.182 175.510 -0.275 0.000 1.037 440 N CA 2.121 54.979 53.050 -0.320 0.000 0.848 440 N CB -0.849 37.525 38.487 -0.189 0.000 1.021 440 N HN 0.488 nan 8.380 nan 0.000 0.422 441 Y N 0.386 120.632 120.300 -0.091 0.000 2.207 441 Y HA -0.096 3.718 4.550 -1.225 0.000 0.287 441 Y C 2.203 178.055 175.900 -0.080 0.000 1.156 441 Y CA 1.132 59.199 58.100 -0.055 0.000 1.182 441 Y CB -0.078 38.464 38.460 0.137 0.000 0.979 441 Y HN 0.141 nan 8.280 nan 0.000 0.521 442 I N -1.658 118.973 120.570 0.102 0.000 2.286 442 I HA -0.320 3.119 4.170 -1.218 0.000 0.245 442 I C 2.216 178.262 176.117 -0.119 0.000 1.104 442 I CA 0.721 62.026 61.300 0.009 0.000 1.397 442 I CB -0.438 37.556 38.000 -0.010 0.000 1.072 442 I HN 0.314 nan 8.210 nan 0.000 0.417 443 C N 0.849 119.957 119.300 -0.320 0.000 2.429 443 C HA -0.129 3.600 4.460 -1.218 0.000 0.277 443 C C 2.590 177.481 174.990 -0.165 0.000 1.262 443 C CA 0.788 59.618 59.018 -0.314 0.000 1.733 443 C CB -1.412 26.016 27.740 -0.519 0.000 2.010 443 C HN 0.550 nan 8.230 nan 0.000 0.483 444 N N -0.003 118.586 118.700 -0.186 0.000 2.166 444 N HA -0.139 3.870 4.740 -1.218 0.000 0.186 444 N C 1.441 176.871 175.510 -0.133 0.000 1.019 444 N CA 1.428 54.366 53.050 -0.186 0.000 0.856 444 N CB -0.825 37.483 38.487 -0.299 0.000 0.993 444 N HN 0.767 nan 8.380 nan 0.000 0.426 445 H N 0.290 119.234 119.070 -0.209 0.000 2.321 445 H HA -0.015 3.810 4.556 -1.218 0.000 0.300 445 H C 1.812 177.187 175.328 0.078 0.000 1.087 445 H CA 1.536 57.545 56.048 -0.065 0.000 1.319 445 H CB 0.107 29.874 29.762 0.010 0.000 1.379 445 H HN -0.098 nan 8.280 nan 0.000 0.501 446 V N 1.055 121.123 119.914 0.257 0.000 2.332 446 V HA -0.273 3.116 4.120 -1.218 0.000 0.248 446 V C 2.499 178.674 176.094 0.136 0.000 1.055 446 V CA 2.302 64.706 62.300 0.173 0.000 1.038 446 V CB -0.556 31.288 31.823 0.035 0.000 0.651 446 V HN 0.426 nan 8.190 nan 0.000 0.450 447 K N -1.013 119.436 120.400 0.082 0.000 2.057 447 K HA -0.224 3.365 4.320 -1.218 0.000 0.206 447 K C 2.265 178.908 176.600 0.072 0.000 1.050 447 K CA 1.789 58.107 56.287 0.052 0.000 0.935 447 K CB -0.324 32.185 32.500 0.016 0.000 0.715 447 K HN 0.527 nan 8.250 nan 0.000 0.439 448 Y N 0.697 121.015 120.300 0.030 0.000 2.145 448 Y HA -0.202 3.615 4.550 -1.220 0.000 0.286 448 Y C 1.980 177.946 175.900 0.110 0.000 1.145 448 Y CA 1.850 59.995 58.100 0.076 0.000 1.148 448 Y CB -0.387 38.152 38.460 0.130 0.000 0.981 448 Y HN 0.146 nan 8.280 nan 0.000 0.507 449 A N -0.865 122.090 122.820 0.225 0.000 1.898 449 A HA -0.129 3.460 4.320 -1.218 0.000 0.216 449 A C 2.197 179.831 177.584 0.084 0.000 1.181 449 A CA 2.058 54.200 52.037 0.176 0.000 0.620 449 A CB -1.265 17.925 19.000 0.317 0.000 0.819 449 A HN 0.505 nan 8.150 nan 0.000 0.442 450 T N 0.023 114.628 114.554 0.086 0.000 2.746 450 T HA -0.130 3.489 4.350 -1.218 0.000 0.267 450 T C 1.093 175.793 174.700 0.000 0.000 1.039 450 T CA 1.300 63.438 62.100 0.063 0.000 1.142 450 T CB -0.451 68.453 68.868 0.061 0.000 0.866 450 T HN 0.640 nan 8.240 nan 0.000 0.444 451 N N 1.393 120.059 118.700 -0.056 0.000 2.699 451 N HA -0.233 3.776 4.740 -1.218 0.000 0.256 451 N C -0.356 175.119 175.510 -0.057 0.000 0.993 451 N CA 0.658 53.650 53.050 -0.097 0.000 0.759 451 N CB -1.489 36.896 38.487 -0.170 0.000 0.906 451 N HN 0.574 nan 8.380 nan 0.000 0.541 452 K N -2.188 118.191 120.400 -0.035 0.000 3.016 452 K HA -0.236 3.352 4.320 -1.218 0.000 0.262 452 K C 1.039 177.618 176.600 -0.034 0.000 1.043 452 K CA 0.983 57.252 56.287 -0.030 0.000 0.761 452 K CB -1.829 30.650 32.500 -0.034 0.000 1.230 452 K HN 0.963 nan 8.250 nan 0.000 0.485 453 G N 0.629 109.415 108.800 -0.023 0.000 2.232 453 G HA2 -0.330 2.899 3.960 -1.218 0.000 0.226 453 G HA3 -0.330 2.899 3.960 -1.218 0.000 0.226 453 G C -0.082 174.800 174.900 -0.030 0.000 0.996 453 G CA 0.196 45.282 45.100 -0.025 0.000 0.626 453 G HN 0.510 nan 8.290 nan 0.000 0.509 454 N N 1.330 120.001 118.700 -0.048 0.000 3.322 454 N HA 0.433 4.442 4.740 -1.218 0.000 0.290 454 N C 0.734 176.209 175.510 -0.058 0.000 1.297 454 N CA -0.553 52.451 53.050 -0.077 0.000 1.167 454 N CB -0.219 38.218 38.487 -0.082 0.000 1.434 454 N HN 0.372 nan 8.380 nan 0.000 0.526 455 L N 1.651 122.871 121.223 -0.004 0.000 2.593 455 L HA 0.007 3.616 4.340 -1.218 0.000 0.287 455 L C 0.573 177.563 176.870 0.200 0.000 1.243 455 L CA 0.619 55.534 54.840 0.125 0.000 0.890 455 L CB 0.102 42.332 42.059 0.285 0.000 1.134 455 L HN 0.341 nan 8.230 nan 0.000 0.502 456 R N 1.548 122.178 120.500 0.217 0.000 2.513 456 R HA 0.297 3.906 4.340 -1.218 0.000 0.301 456 R C -0.398 176.083 176.300 0.301 0.000 0.968 456 R CA -0.578 55.683 56.100 0.267 0.000 0.872 456 R CB 2.108 32.439 30.300 0.052 0.000 1.177 456 R HN 0.782 nan 8.270 nan 0.000 0.444 457 S N 1.610 117.486 115.700 0.293 0.000 2.568 457 S HA 0.589 4.328 4.470 -1.218 0.000 0.282 457 S C 0.035 174.671 174.600 0.061 0.000 1.338 457 S CA -0.357 57.889 58.200 0.076 0.000 1.045 457 S CB 1.381 64.561 63.200 -0.032 0.000 0.873 457 S HN 0.735 nan 8.310 nan 0.000 0.516 458 A N 2.339 125.142 122.820 -0.028 0.000 2.601 458 A HA 0.798 4.387 4.320 -1.218 0.000 0.291 458 A C -1.192 176.370 177.584 -0.038 0.000 1.075 458 A CA -0.823 51.124 52.037 -0.150 0.000 0.671 458 A CB 1.103 19.947 19.000 -0.260 0.000 1.277 458 A HN 1.353 nan 8.150 nan 0.000 0.417 459 I N 0.213 120.741 120.570 -0.069 0.000 2.752 459 I HA 0.630 4.069 4.170 -1.218 0.000 0.295 459 I C -1.329 174.839 176.117 0.086 0.000 1.219 459 I CA -0.104 61.286 61.300 0.150 0.000 1.030 459 I CB 2.400 40.447 38.000 0.079 0.000 1.259 459 I HN 0.602 nan 8.210 nan 0.000 0.423 460 T N 7.888 122.540 114.554 0.163 0.000 2.791 460 T HA 0.549 4.168 4.350 -1.218 0.000 0.288 460 T C -0.330 174.145 174.700 -0.375 0.000 0.999 460 T CA -0.223 61.831 62.100 -0.077 0.000 0.952 460 T CB 0.790 69.645 68.868 -0.022 0.000 0.938 460 T HN 0.296 nan 8.240 nan 0.000 0.444 461 I N 4.460 124.734 120.570 -0.492 0.000 2.306 461 I HA 0.363 3.802 4.170 -1.218 0.000 0.288 461 I C -0.280 175.459 176.117 -0.629 0.000 1.036 461 I CA -0.598 60.401 61.300 -0.501 0.000 1.221 461 I CB 0.417 38.093 38.000 -0.540 0.000 1.385 461 I HN 0.454 nan 8.210 nan 0.000 0.472 462 F N 6.995 126.832 119.950 -0.189 0.000 2.368 462 F HA 0.371 4.174 4.527 -1.206 0.000 0.308 462 F C -1.790 173.841 175.800 -0.283 0.000 1.198 462 F CA -2.265 55.537 58.000 -0.329 0.000 1.130 462 F CB -0.321 38.497 39.000 -0.303 0.000 1.300 462 F HN 0.248 nan 8.300 nan 0.000 0.537 463 P HA -0.026 nan 4.420 nan 0.000 0.262 463 P C -1.012 176.279 177.300 -0.014 0.000 1.182 463 P CA -0.036 62.904 63.100 -0.266 0.000 0.761 463 P CB 0.135 31.512 31.700 -0.537 0.000 0.795 464 Q N 3.321 123.110 119.800 -0.018 0.000 2.454 464 Q HA 0.105 3.714 4.340 -1.218 0.000 0.247 464 Q C 0.276 176.197 176.000 -0.131 0.000 1.028 464 Q CA -0.579 55.023 55.803 -0.336 0.000 0.910 464 Q CB 0.771 29.032 28.738 -0.796 0.000 1.276 464 Q HN 0.354 nan 8.270 nan 0.000 0.489 465 R N 0.538 120.948 120.500 -0.151 0.000 2.734 465 R HA 0.028 3.637 4.340 -1.218 0.000 0.266 465 R C -0.024 176.246 176.300 -0.050 0.000 1.044 465 R CA 1.011 57.091 56.100 -0.032 0.000 1.128 465 R CB 0.560 30.834 30.300 -0.043 0.000 1.010 465 R HN 0.984 nan 8.270 nan 0.000 0.461 466 T N -1.373 113.181 114.554 0.000 0.000 3.447 466 T HA 0.013 3.632 4.350 -1.218 0.000 0.218 466 T C 0.854 175.534 174.700 -0.034 0.000 0.972 466 T CA 0.199 62.280 62.100 -0.032 0.000 1.264 466 T CB -0.204 68.630 68.868 -0.055 0.000 1.284 466 T HN 0.748 nan 8.240 nan 0.000 0.361 467 D N 0.999 121.380 120.400 -0.032 0.000 2.398 467 D HA 0.281 4.190 4.640 -1.218 0.000 0.210 467 D C 1.654 177.979 176.300 0.041 0.000 1.094 467 D CA 0.766 54.758 54.000 -0.013 0.000 0.839 467 D CB 0.046 40.814 40.800 -0.054 0.000 0.963 467 D HN 0.858 nan 8.370 nan 0.000 0.506 468 G N 1.554 110.390 108.800 0.061 0.000 2.267 468 G HA2 -0.357 2.872 3.960 -1.218 0.000 0.257 468 G HA3 -0.357 2.872 3.960 -1.218 0.000 0.257 468 G C 1.063 176.025 174.900 0.102 0.000 0.998 468 G CA 0.444 45.584 45.100 0.066 0.000 0.620 468 G HN 0.442 nan 8.290 nan 0.000 0.529 469 K N -0.086 120.419 120.400 0.174 0.000 2.387 469 K HA 0.270 3.859 4.320 -1.218 0.000 0.198 469 K C 0.533 177.271 176.600 0.229 0.000 1.022 469 K CA 0.262 56.672 56.287 0.204 0.000 1.128 469 K CB 0.215 32.852 32.500 0.229 0.000 0.853 469 K HN 0.521 nan 8.250 nan 0.000 0.523 470 H N -0.174 118.898 119.070 0.004 0.000 2.777 470 H HA 0.169 3.996 4.556 -1.216 0.000 0.244 470 H C -1.082 174.241 175.328 -0.009 0.000 1.185 470 H CA -0.903 55.133 56.048 -0.019 0.000 0.945 470 H CB 0.227 30.002 29.762 0.020 0.000 1.994 470 H HN 0.021 nan 8.280 nan 0.000 0.638 471 D N 0.201 120.654 120.400 0.089 0.000 2.341 471 D HA 0.110 4.019 4.640 -1.218 0.000 0.245 471 D C 0.017 176.344 176.300 0.045 0.000 1.106 471 D CA 0.147 54.224 54.000 0.129 0.000 0.905 471 D CB 0.748 41.605 40.800 0.095 0.000 1.202 471 D HN 0.031 nan 8.370 nan 0.000 0.426 472 F N 1.530 121.511 119.950 0.051 0.000 2.399 472 F HA 0.458 4.249 4.527 -1.227 0.000 0.334 472 F C 0.906 176.731 175.800 0.042 0.000 1.097 472 F CA -0.335 57.675 58.000 0.018 0.000 1.076 472 F CB 0.924 39.938 39.000 0.023 0.000 1.162 472 F HN -0.159 nan 8.300 nan 0.000 0.495 473 R N 1.565 122.170 120.500 0.176 0.000 2.604 473 R HA 0.472 4.080 4.340 -1.218 0.000 0.270 473 R C -1.838 174.609 176.300 0.245 0.000 1.052 473 R CA -0.881 55.337 56.100 0.197 0.000 0.902 473 R CB 1.977 32.387 30.300 0.184 0.000 1.233 473 R HN 0.375 nan 8.270 nan 0.000 0.455 474 V N 3.323 123.362 119.914 0.207 0.000 2.318 474 V HA 0.142 3.531 4.120 -1.218 0.000 0.271 474 V C 0.465 176.733 176.094 0.291 0.000 1.030 474 V CA -0.470 61.954 62.300 0.207 0.000 0.844 474 V CB 1.002 32.885 31.823 0.100 0.000 1.015 474 V HN 0.728 nan 8.190 nan 0.000 0.460 475 W N 2.528 123.884 121.300 0.095 0.000 2.392 475 W HA -0.064 3.880 4.660 -1.192 0.000 0.279 475 W C 1.138 177.621 176.519 -0.059 0.000 1.225 475 W CA -0.006 57.476 57.345 0.229 0.000 1.233 475 W CB -0.772 28.989 29.460 0.502 0.000 1.122 475 W HN 0.523 nan 8.180 nan 0.000 0.561 476 N N -0.137 118.529 118.700 -0.057 0.000 2.381 476 N HA 0.004 4.012 4.740 -1.218 0.000 0.241 476 N C 1.374 176.675 175.510 -0.349 0.000 1.279 476 N CA 0.969 53.663 53.050 -0.593 0.000 0.896 476 N CB 0.586 38.910 38.487 -0.271 0.000 1.118 476 N HN -0.095 nan 8.380 nan 0.000 0.438 477 S N -0.001 115.476 115.700 -0.371 0.000 2.458 477 S HA 0.044 3.783 4.470 -1.218 0.000 0.223 477 S C 0.265 174.762 174.600 -0.171 0.000 1.019 477 S CA 0.421 58.509 58.200 -0.187 0.000 0.937 477 S CB 0.156 63.292 63.200 -0.107 0.000 0.788 477 S HN 0.622 nan 8.310 nan 0.000 0.511 478 Q N -0.424 119.258 119.800 -0.196 0.000 2.389 478 Q HA 0.493 4.102 4.340 -1.218 0.000 0.277 478 Q C 0.177 176.041 176.000 -0.226 0.000 1.082 478 Q CA -0.498 55.188 55.803 -0.196 0.000 0.810 478 Q CB 2.123 30.789 28.738 -0.119 0.000 1.374 478 Q HN 0.115 nan 8.270 nan 0.000 0.422 479 L N 0.959 122.045 121.223 -0.228 0.000 2.043 479 L HA -0.105 3.503 4.340 -1.218 0.000 0.212 479 L C 0.607 177.330 176.870 -0.245 0.000 1.075 479 L CA 1.529 56.247 54.840 -0.203 0.000 0.752 479 L CB -0.132 41.798 42.059 -0.214 0.000 0.891 479 L HN 0.515 nan 8.230 nan 0.000 0.432 480 I N -0.259 120.087 120.570 -0.374 0.000 2.410 480 I HA 0.354 3.793 4.170 -1.218 0.000 0.286 480 I C -0.348 175.145 176.117 -1.040 0.000 1.009 480 I CA -0.355 60.567 61.300 -0.630 0.000 1.111 480 I CB 1.480 39.067 38.000 -0.688 0.000 1.262 480 I HN 0.105 nan 8.210 nan 0.000 0.443 481 R N 4.357 124.379 120.500 -0.796 0.000 2.710 481 R HA 0.484 4.093 4.340 -1.218 0.000 0.270 481 R C -1.629 174.403 176.300 -0.448 0.000 1.021 481 R CA -1.030 54.670 56.100 -0.667 0.000 0.889 481 R CB 2.464 32.624 30.300 -0.234 0.000 1.243 481 R HN 0.390 nan 8.270 nan 0.000 0.464 482 Y N 0.300 120.586 120.300 -0.022 0.000 2.301 482 Y HA 0.453 4.272 4.550 -1.218 0.000 0.325 482 Y C 0.916 176.864 175.900 0.080 0.000 1.203 482 Y CA -0.757 57.400 58.100 0.095 0.000 1.255 482 Y CB 1.321 39.934 38.460 0.255 0.000 1.232 482 Y HN 0.616 nan 8.280 nan 0.000 0.501 483 A N 1.445 124.403 122.820 0.231 0.000 2.366 483 A HA 0.624 4.213 4.320 -1.218 0.000 0.249 483 A C 0.325 177.758 177.584 -0.253 0.000 1.084 483 A CA 0.180 52.184 52.037 -0.056 0.000 0.794 483 A CB -0.087 18.872 19.000 -0.068 0.000 1.034 483 A HN 0.887 nan 8.150 nan 0.000 0.491 484 G N -0.032 108.499 108.800 -0.448 0.000 2.683 484 G HA2 0.580 3.809 3.960 -1.218 0.000 0.299 484 G HA3 0.580 3.809 3.960 -1.218 0.000 0.299 484 G C -1.350 173.311 174.900 -0.397 0.000 1.432 484 G CA -0.277 44.620 45.100 -0.338 0.000 0.978 484 G HN 0.537 nan 8.290 nan 0.000 0.513 485 Y N 0.656 120.984 120.300 0.046 0.000 2.409 485 Y HA 0.485 4.302 4.550 -1.221 0.000 0.343 485 Y C 0.470 176.374 175.900 0.008 0.000 0.973 485 Y CA -1.215 56.904 58.100 0.032 0.000 1.064 485 Y CB 2.266 40.743 38.460 0.029 0.000 1.207 485 Y HN 0.260 nan 8.280 nan 0.000 0.452 486 K N 3.919 124.411 120.400 0.153 0.000 2.292 486 K HA 0.188 3.777 4.320 -1.218 0.000 0.290 486 K C -0.349 176.292 176.600 0.068 0.000 1.083 486 K CA -0.239 56.098 56.287 0.083 0.000 0.918 486 K CB 0.490 33.023 32.500 0.056 0.000 1.089 486 K HN 0.711 nan 8.250 nan 0.000 0.473 487 Q N 2.422 122.253 119.800 0.051 0.000 2.396 487 Q HA 0.063 3.672 4.340 -1.218 0.000 0.221 487 Q C -1.582 174.425 176.000 0.011 0.000 1.025 487 Q CA -1.840 53.977 55.803 0.023 0.000 0.946 487 Q CB 0.323 29.069 28.738 0.013 0.000 1.224 487 Q HN 0.288 nan 8.270 nan 0.000 0.539 488 P HA -0.214 nan 4.420 nan 0.000 0.216 488 P C 0.699 178.000 177.300 0.000 0.000 1.153 488 P CA 1.286 64.384 63.100 -0.002 0.000 0.858 488 P CB 0.119 31.813 31.700 -0.010 0.000 0.789 489 D N -1.235 119.165 120.400 -0.000 0.000 2.322 489 D HA -0.156 3.753 4.640 -1.218 0.000 0.210 489 D C 1.647 177.950 176.300 0.005 0.000 0.983 489 D CA 1.830 55.830 54.000 0.001 0.000 0.902 489 D CB -0.733 40.067 40.800 0.000 0.000 0.905 489 D HN 0.236 nan 8.370 nan 0.000 0.483 490 G N -0.632 108.173 108.800 0.008 0.000 2.268 490 G HA2 -0.315 2.914 3.960 -1.218 0.000 0.240 490 G HA3 -0.315 2.914 3.960 -1.218 0.000 0.240 490 G C 0.589 175.498 174.900 0.014 0.000 1.010 490 G CA 0.940 46.047 45.100 0.012 0.000 0.618 490 G HN 0.761 nan 8.290 nan 0.000 0.516 491 S N -0.265 115.442 115.700 0.012 0.000 2.633 491 S HA 0.630 4.369 4.470 -1.218 0.000 0.257 491 S C 0.138 174.747 174.600 0.015 0.000 1.265 491 S CA 0.936 59.142 58.200 0.011 0.000 0.980 491 S CB 1.432 64.636 63.200 0.007 0.000 1.017 491 S HN 0.753 nan 8.310 nan 0.000 0.577 492 T N 1.171 115.729 114.554 0.007 0.000 2.841 492 T HA 0.525 4.144 4.350 -1.218 0.000 0.283 492 T C -0.978 173.724 174.700 0.004 0.000 1.000 492 T CA -0.529 61.578 62.100 0.011 0.000 0.977 492 T CB 1.174 70.038 68.868 -0.008 0.000 0.979 492 T HN 0.599 nan 8.240 nan 0.000 0.446 493 L N 3.682 124.943 121.223 0.064 0.000 2.275 493 L HA 0.719 4.328 4.340 -1.218 0.000 0.288 493 L C 0.687 177.616 176.870 0.098 0.000 1.046 493 L CA 1.134 56.031 54.840 0.094 0.000 0.805 493 L CB -0.171 41.993 42.059 0.174 0.000 1.193 493 L HN 0.976 nan 8.230 nan 0.000 0.426 494 G N 3.962 112.732 108.800 -0.050 0.000 2.488 494 G HA2 -0.234 2.995 3.960 -1.218 0.000 0.237 494 G HA3 -0.234 2.995 3.960 -1.218 0.000 0.237 494 G C -0.641 174.027 174.900 -0.387 0.000 1.209 494 G CA 0.010 45.036 45.100 -0.123 0.000 0.929 494 G HN 0.811 nan 8.290 nan 0.000 0.578 495 D N 1.829 122.137 120.400 -0.153 0.000 2.365 495 D HA 0.475 4.384 4.640 -1.218 0.000 0.237 495 D C -1.013 175.255 176.300 -0.053 0.000 1.190 495 D CA -1.620 52.313 54.000 -0.111 0.000 0.867 495 D CB 1.328 42.334 40.800 0.343 0.000 1.050 495 D HN -0.021 nan 8.370 nan 0.000 0.491 496 P HA -0.125 nan 4.420 nan 0.000 0.218 496 P C 0.974 178.297 177.300 0.039 0.000 1.148 496 P CA 0.994 64.081 63.100 -0.022 0.000 0.822 496 P CB 0.275 31.959 31.700 -0.027 0.000 0.784 497 A N -0.554 122.315 122.820 0.082 0.000 2.070 497 A HA -0.147 3.442 4.320 -1.218 0.000 0.220 497 A C 1.734 179.387 177.584 0.116 0.000 1.159 497 A CA 1.477 53.582 52.037 0.113 0.000 0.656 497 A CB -0.881 18.213 19.000 0.156 0.000 0.800 497 A HN 0.174 nan 8.150 nan 0.000 0.453 498 N N -0.553 118.209 118.700 0.104 0.000 2.214 498 N HA 0.117 4.126 4.740 -1.218 0.000 0.214 498 N C 1.175 176.718 175.510 0.055 0.000 1.132 498 N CA 0.220 53.334 53.050 0.106 0.000 0.856 498 N CB 0.614 39.170 38.487 0.116 0.000 1.020 498 N HN 0.185 nan 8.380 nan 0.000 0.509 499 V N 1.519 121.448 119.914 0.025 0.000 2.278 499 V HA -0.317 3.072 4.120 -1.218 0.000 0.251 499 V C 2.676 178.767 176.094 -0.004 0.000 1.062 499 V CA 2.065 64.361 62.300 -0.007 0.000 1.038 499 V CB -0.350 31.482 31.823 0.014 0.000 0.646 499 V HN 0.401 nan 8.190 nan 0.000 0.447 500 Q N -1.032 118.778 119.800 0.017 0.000 2.016 500 Q HA -0.237 3.372 4.340 -1.218 0.000 0.200 500 Q C 2.175 178.096 176.000 -0.131 0.000 0.978 500 Q CA 2.204 57.984 55.803 -0.039 0.000 0.833 500 Q CB -0.307 28.430 28.738 -0.002 0.000 0.895 500 Q HN 0.576 nan 8.270 nan 0.000 0.427 501 F N 1.226 121.023 119.950 -0.254 0.000 2.134 501 F HA -0.166 3.626 4.527 -1.226 0.000 0.299 501 F C 2.074 177.760 175.800 -0.190 0.000 1.097 501 F CA 1.941 59.750 58.000 -0.319 0.000 1.264 501 F CB -0.545 38.340 39.000 -0.191 0.000 1.001 501 F HN 0.062 nan 8.300 nan 0.000 0.479 502 T N 0.096 114.597 114.554 -0.088 0.000 2.849 502 T HA -0.207 3.412 4.350 -1.218 0.000 0.270 502 T C 1.649 176.317 174.700 -0.053 0.000 1.066 502 T CA 1.845 63.877 62.100 -0.114 0.000 1.130 502 T CB -0.306 68.468 68.868 -0.157 0.000 0.864 502 T HN 0.469 nan 8.240 nan 0.000 0.481 503 E N 0.393 120.537 120.200 -0.092 0.000 2.122 503 E HA 0.120 3.739 4.350 -1.218 0.000 0.190 503 E C 2.154 178.681 176.600 -0.122 0.000 0.977 503 E CA 0.446 56.815 56.400 -0.052 0.000 0.820 503 E CB -0.085 29.588 29.700 -0.045 0.000 0.770 503 E HN 0.437 nan 8.360 nan 0.000 0.462 504 I N 1.156 121.572 120.570 -0.256 0.000 2.361 504 I HA -0.296 3.143 4.170 -1.218 0.000 0.251 504 I C 2.267 178.235 176.117 -0.249 0.000 1.133 504 I CA 0.581 61.730 61.300 -0.253 0.000 1.413 504 I CB -0.338 37.457 38.000 -0.342 0.000 1.073 504 I HN 0.262 nan 8.210 nan 0.000 0.424 505 C N 0.991 120.065 119.300 -0.377 0.000 2.442 505 C HA -0.156 3.573 4.460 -1.218 0.000 0.279 505 C C 2.711 177.703 174.990 0.004 0.000 1.237 505 C CA 0.603 59.456 59.018 -0.275 0.000 1.722 505 C CB -0.813 26.692 27.740 -0.392 0.000 2.056 505 C HN 0.418 nan 8.230 nan 0.000 0.469 506 I N 0.673 121.311 120.570 0.114 0.000 2.151 506 I HA -0.310 3.129 4.170 -1.218 0.000 0.243 506 I C 2.688 178.814 176.117 0.015 0.000 1.080 506 I CA 1.851 63.221 61.300 0.116 0.000 1.339 506 I CB -0.840 37.226 38.000 0.111 0.000 1.039 506 I HN 0.497 nan 8.210 nan 0.000 0.409 507 Q N 0.557 120.340 119.800 -0.028 0.000 2.515 507 Q HA -0.219 3.390 4.340 -1.218 0.000 0.215 507 Q C 1.662 177.622 176.000 -0.066 0.000 0.983 507 Q CA 1.101 56.868 55.803 -0.060 0.000 0.905 507 Q CB 0.205 28.893 28.738 -0.082 0.000 0.961 507 Q HN 0.509 nan 8.270 nan 0.000 0.503 508 Q N -1.940 117.832 119.800 -0.045 0.000 2.246 508 Q HA 0.177 3.786 4.340 -1.218 0.000 0.222 508 Q C 0.793 176.776 176.000 -0.030 0.000 0.851 508 Q CA 0.792 56.567 55.803 -0.046 0.000 0.945 508 Q CB 1.793 30.488 28.738 -0.071 0.000 1.122 508 Q HN 0.502 nan 8.270 nan 0.000 0.508 509 G N 0.258 109.059 108.800 0.002 0.000 2.192 509 G HA2 -0.202 3.027 3.960 -1.218 0.000 0.193 509 G HA3 -0.202 3.027 3.960 -1.218 0.000 0.193 509 G C -0.467 174.467 174.900 0.057 0.000 0.999 509 G CA -0.284 44.819 45.100 0.004 0.000 0.659 509 G HN 0.236 nan 8.290 nan 0.000 0.503 510 W N 3.376 124.619 121.300 -0.095 0.000 2.264 510 W HA 0.560 4.485 4.660 -1.225 0.000 0.331 510 W C 0.444 176.939 176.519 -0.039 0.000 1.364 510 W CA -0.251 57.050 57.345 -0.074 0.000 1.253 510 W CB 0.506 29.918 29.460 -0.080 0.000 1.215 510 W HN 0.054 nan 8.180 nan 0.000 0.561 511 K N 6.465 126.511 120.400 -0.591 0.000 2.206 511 K HA 0.442 4.031 4.320 -1.218 0.000 0.268 511 K C 0.077 176.053 176.600 -1.040 0.000 1.111 511 K CA -0.404 55.528 56.287 -0.592 0.000 0.955 511 K CB 0.212 32.513 32.500 -0.331 0.000 1.406 511 K HN 0.475 nan 8.250 nan 0.000 0.427 512 A N 3.944 126.135 122.820 -1.048 0.000 2.454 512 A HA 0.220 3.809 4.320 -1.218 0.000 0.260 512 A C -1.637 175.625 177.584 -0.536 0.000 1.106 512 A CA -1.089 50.307 52.037 -1.068 0.000 0.780 512 A CB 0.111 18.814 19.000 -0.495 0.000 1.044 512 A HN 0.469 nan 8.150 nan 0.000 0.498 513 P HA 0.040 nan 4.420 nan 0.000 0.245 513 P C -0.012 177.162 177.300 -0.209 0.000 1.212 513 P CA -0.147 62.841 63.100 -0.187 0.000 0.774 513 P CB 0.086 31.762 31.700 -0.041 0.000 0.999 514 R N -0.348 119.913 120.500 -0.400 0.000 3.158 514 R HA -0.135 3.474 4.340 -1.218 0.000 0.244 514 R C 0.608 176.757 176.300 -0.253 0.000 0.900 514 R CA 0.591 56.243 56.100 -0.747 0.000 0.618 514 R CB -1.967 27.924 30.300 -0.683 0.000 1.061 514 R HN 0.332 nan 8.270 nan 0.000 0.471 515 G N -0.839 107.990 108.800 0.050 0.000 2.820 515 G HA2 0.385 3.614 3.960 -1.218 0.000 0.291 515 G HA3 0.385 3.614 3.960 -1.218 0.000 0.291 515 G C 0.340 175.329 174.900 0.148 0.000 1.323 515 G CA -0.592 44.565 45.100 0.095 0.000 1.055 515 G HN 0.260 nan 8.290 nan 0.000 0.520 516 R N -1.470 119.043 120.500 0.022 0.000 2.161 516 R HA 0.160 3.769 4.340 -1.218 0.000 0.213 516 R C -0.137 175.850 176.300 -0.522 0.000 1.055 516 R CA 0.724 56.692 56.100 -0.220 0.000 0.996 516 R CB -0.065 30.038 30.300 -0.328 0.000 0.901 516 R HN 0.364 nan 8.270 nan 0.000 0.456 517 F N 1.218 121.169 119.950 0.002 0.000 2.646 517 F HA 0.274 4.068 4.527 -1.221 0.000 0.336 517 F C -1.180 174.592 175.800 -0.047 0.000 1.437 517 F CA -1.140 56.621 58.000 -0.398 0.000 1.142 517 F CB 1.070 39.612 39.000 -0.763 0.000 1.530 517 F HN -0.229 nan 8.300 nan 0.000 0.591 518 D N 1.821 122.444 120.400 0.372 0.000 2.317 518 D HA 0.215 4.124 4.640 -1.218 0.000 0.234 518 D C 0.139 176.757 176.300 0.529 0.000 1.112 518 D CA -0.142 54.134 54.000 0.460 0.000 0.840 518 D CB 2.301 43.414 40.800 0.520 0.000 1.078 518 D HN -0.008 nan 8.370 nan 0.000 0.486 519 V N 3.674 123.853 119.914 0.442 0.000 2.509 519 V HA -0.065 3.324 4.120 -1.218 0.000 0.297 519 V C 1.191 177.361 176.094 0.126 0.000 1.014 519 V CA -0.014 62.417 62.300 0.219 0.000 1.127 519 V CB -0.110 31.786 31.823 0.122 0.000 0.925 519 V HN 0.376 nan 8.190 nan 0.000 0.480 520 L N 8.171 129.367 121.223 -0.046 0.000 2.474 520 L HA 0.300 3.909 4.340 -1.218 0.000 0.259 520 L C -1.770 174.929 176.870 -0.285 0.000 1.232 520 L CA -1.159 53.513 54.840 -0.279 0.000 0.821 520 L CB 0.650 42.608 42.059 -0.169 0.000 1.108 520 L HN 0.489 nan 8.230 nan 0.000 0.495 521 P HA 0.290 nan 4.420 nan 0.000 0.290 521 P C -1.122 176.112 177.300 -0.110 0.000 1.283 521 P CA -0.654 62.254 63.100 -0.320 0.000 0.869 521 P CB 1.395 32.727 31.700 -0.614 0.000 1.100 522 L N 2.159 123.405 121.223 0.038 0.000 2.417 522 L HA 0.301 3.910 4.340 -1.218 0.000 0.268 522 L C 0.799 177.752 176.870 0.139 0.000 1.158 522 L CA -0.299 54.626 54.840 0.142 0.000 0.819 522 L CB 0.234 42.428 42.059 0.225 0.000 1.112 522 L HN 0.274 nan 8.230 nan 0.000 0.458 523 L N 4.945 126.282 121.223 0.191 0.000 2.417 523 L HA 0.444 4.053 4.340 -1.218 0.000 0.259 523 L C -0.978 175.915 176.870 0.038 0.000 1.023 523 L CA -0.341 54.538 54.840 0.066 0.000 0.901 523 L CB 0.734 42.885 42.059 0.153 0.000 1.227 523 L HN 0.515 nan 8.230 nan 0.000 0.454 524 L N 3.614 124.862 121.223 0.041 0.000 2.307 524 L HA 0.477 4.086 4.340 -1.218 0.000 0.282 524 L C -0.153 176.633 176.870 -0.140 0.000 1.051 524 L CA -0.293 54.549 54.840 0.003 0.000 0.804 524 L CB 1.708 43.797 42.059 0.050 0.000 1.197 524 L HN 0.543 nan 8.230 nan 0.000 0.431 525 Q N 2.771 122.486 119.800 -0.141 0.000 2.333 525 Q HA 0.695 4.304 4.340 -1.218 0.000 0.268 525 Q C -1.497 174.358 176.000 -0.242 0.000 1.007 525 Q CA -0.586 55.084 55.803 -0.221 0.000 0.810 525 Q CB 2.131 30.788 28.738 -0.135 0.000 1.264 525 Q HN 0.787 nan 8.270 nan 0.000 0.452 526 A N 3.820 126.426 122.820 -0.358 0.000 2.365 526 A HA 0.382 3.971 4.320 -1.218 0.000 0.318 526 A C 0.251 177.323 177.584 -0.852 0.000 1.091 526 A CA -0.273 51.330 52.037 -0.725 0.000 0.763 526 A CB 0.925 19.721 19.000 -0.342 0.000 1.248 526 A HN 1.155 nan 8.150 nan 0.000 0.442 527 N N 0.297 118.076 118.700 -1.536 0.000 2.717 527 N HA -0.316 3.693 4.740 -1.218 0.000 0.248 527 N C 1.055 176.296 175.510 -0.447 0.000 1.099 527 N CA 1.764 54.366 53.050 -0.747 0.000 0.843 527 N CB -0.410 37.862 38.487 -0.358 0.000 1.155 527 N HN 2.096 nan 8.380 nan 0.000 0.580 528 G N -1.496 107.062 108.800 -0.403 0.000 2.307 528 G HA2 -0.247 2.982 3.960 -1.218 0.000 0.210 528 G HA3 -0.247 2.982 3.960 -1.218 0.000 0.210 528 G C 0.093 174.877 174.900 -0.193 0.000 1.005 528 G CA 0.136 45.081 45.100 -0.258 0.000 0.634 528 G HN 0.411 nan 8.290 nan 0.000 0.496 529 N N 1.846 120.410 118.700 -0.227 0.000 2.231 529 N HA 0.231 4.240 4.740 -1.218 0.000 0.223 529 N C -0.256 175.142 175.510 -0.188 0.000 1.329 529 N CA 0.463 53.425 53.050 -0.147 0.000 0.889 529 N CB 0.136 38.539 38.487 -0.141 0.000 1.125 529 N HN 0.325 nan 8.380 nan 0.000 0.447 530 D N 0.685 121.013 120.400 -0.119 0.000 2.362 530 D HA 0.192 4.101 4.640 -1.218 0.000 0.242 530 D C -1.814 174.253 176.300 -0.388 0.000 1.132 530 D CA -0.635 53.221 54.000 -0.239 0.000 0.907 530 D CB 0.066 40.865 40.800 -0.002 0.000 1.195 530 D HN 0.302 nan 8.370 nan 0.000 0.429 531 P HA 0.181 nan 4.420 nan 0.000 0.274 531 P C -0.788 176.269 177.300 -0.405 0.000 1.237 531 P CA -0.340 62.377 63.100 -0.638 0.000 0.793 531 P CB 1.186 32.110 31.700 -1.293 0.000 0.977 532 E N 0.326 120.345 120.200 -0.301 0.000 2.336 532 E HA 0.499 4.118 4.350 -1.218 0.000 0.267 532 E C -0.581 175.748 176.600 -0.451 0.000 0.906 532 E CA -0.991 55.193 56.400 -0.359 0.000 0.781 532 E CB 1.726 31.185 29.700 -0.402 0.000 1.261 532 E HN 0.338 nan 8.360 nan 0.000 0.436 533 L N 1.634 122.496 121.223 -0.603 0.000 2.379 533 L HA 0.563 4.171 4.340 -1.218 0.000 0.269 533 L C -0.871 175.427 176.870 -0.955 0.000 1.084 533 L CA -0.462 54.066 54.840 -0.521 0.000 0.802 533 L CB 0.393 42.263 42.059 -0.315 0.000 1.175 533 L HN 0.484 nan 8.230 nan 0.000 0.448 534 F N 0.181 119.958 119.950 -0.289 0.000 2.622 534 F HA 0.253 3.120 4.527 -2.767 0.000 0.318 534 F C -0.265 175.387 175.800 -0.247 0.000 1.135 534 F CA -0.755 56.959 58.000 -0.478 0.000 1.015 534 F CB 1.809 40.238 39.000 -0.952 0.000 1.275 534 F HN 0.284 nan 8.300 nan 0.000 0.457 535 Q N 3.177 122.976 119.800 -0.002 0.000 2.274 535 Q HA 0.558 4.167 4.340 -1.218 0.000 0.256 535 Q C -0.701 175.446 176.000 0.244 0.000 0.927 535 Q CA -0.191 55.683 55.803 0.119 0.000 0.939 535 Q CB 1.006 29.828 28.738 0.140 0.000 1.201 535 Q HN 0.598 nan 8.270 nan 0.000 0.426 536 I N 6.679 127.404 120.570 0.258 0.000 2.618 536 I HA 0.128 3.567 4.170 -1.218 0.000 0.284 536 I C -1.828 174.407 176.117 0.196 0.000 1.146 536 I CA -1.833 59.630 61.300 0.272 0.000 1.425 536 I CB 0.661 38.742 38.000 0.136 0.000 1.383 536 I HN 0.550 nan 8.210 nan 0.000 0.562 537 P HA 0.015 nan 4.420 nan 0.000 0.258 537 P C -1.990 175.368 177.300 0.096 0.000 1.187 537 P CA -0.719 62.462 63.100 0.136 0.000 0.767 537 P CB 0.133 31.898 31.700 0.109 0.000 0.770 538 P HA -0.262 nan 4.420 nan 0.000 0.218 538 P C 1.408 178.746 177.300 0.063 0.000 1.152 538 P CA 1.463 64.613 63.100 0.083 0.000 0.857 538 P CB -0.199 31.553 31.700 0.086 0.000 0.787 539 E N -0.150 120.083 120.200 0.056 0.000 2.333 539 E HA -0.137 3.482 4.350 -1.218 0.000 0.198 539 E C 1.576 178.196 176.600 0.033 0.000 1.007 539 E CA 1.023 57.447 56.400 0.040 0.000 0.845 539 E CB -1.043 28.678 29.700 0.036 0.000 0.766 539 E HN 0.341 nan 8.360 nan 0.000 0.507 540 L N 1.024 122.269 121.223 0.037 0.000 2.592 540 L HA 0.148 3.757 4.340 -1.218 0.000 0.227 540 L C 0.394 177.283 176.870 0.031 0.000 1.127 540 L CA -0.113 54.744 54.840 0.027 0.000 0.884 540 L CB 0.706 42.774 42.059 0.016 0.000 1.065 540 L HN -0.124 nan 8.230 nan 0.000 0.457 541 V N 2.005 121.942 119.914 0.038 0.000 2.259 541 V HA 0.166 3.555 4.120 -1.218 0.000 0.267 541 V C 0.039 176.163 176.094 0.050 0.000 1.051 541 V CA -0.634 61.689 62.300 0.039 0.000 0.830 541 V CB 1.367 33.210 31.823 0.034 0.000 1.080 541 V HN 0.058 nan 8.190 nan 0.000 0.467 542 L N 5.269 126.522 121.223 0.050 0.000 2.455 542 L HA 0.381 3.990 4.340 -1.218 0.000 0.272 542 L C 0.157 177.053 176.870 0.043 0.000 1.174 542 L CA 0.921 55.779 54.840 0.030 0.000 0.869 542 L CB 0.246 42.315 42.059 0.016 0.000 1.130 542 L HN 0.649 nan 8.230 nan 0.000 0.474 543 E N 3.289 123.493 120.200 0.007 0.000 2.312 543 E HA 0.596 4.215 4.350 -1.218 0.000 0.267 543 E C -1.497 175.045 176.600 -0.097 0.000 0.894 543 E CA -1.006 55.401 56.400 0.012 0.000 0.773 543 E CB 2.461 32.205 29.700 0.073 0.000 1.241 543 E HN 0.409 nan 8.360 nan 0.000 0.432 544 V N 3.315 123.149 119.914 -0.134 0.000 2.444 544 V HA 0.339 3.728 4.120 -1.218 0.000 0.294 544 V C -2.320 173.748 176.094 -0.043 0.000 1.022 544 V CA -1.844 60.326 62.300 -0.217 0.000 0.850 544 V CB 1.548 32.992 31.823 -0.631 0.000 0.992 544 V HN 0.541 nan 8.190 nan 0.000 0.426 545 P HA 0.301 nan 4.420 nan 0.000 0.282 545 P C -0.754 176.593 177.300 0.078 0.000 1.262 545 P CA -0.255 62.854 63.100 0.016 0.000 0.773 545 P CB 1.107 32.813 31.700 0.010 0.000 0.879 546 I N 5.268 125.920 120.570 0.137 0.000 2.363 546 I HA 0.223 3.662 4.170 -1.218 0.000 0.292 546 I C 1.292 177.600 176.117 0.319 0.000 1.075 546 I CA -0.015 61.433 61.300 0.247 0.000 1.333 546 I CB -0.535 37.671 38.000 0.344 0.000 1.415 546 I HN 0.416 nan 8.210 nan 0.000 0.502 547 R N 5.314 125.968 120.500 0.257 0.000 2.795 547 R HA 0.486 4.095 4.340 -1.218 0.000 0.275 547 R C -0.958 175.318 176.300 -0.039 0.000 0.981 547 R CA -0.720 55.532 56.100 0.254 0.000 0.917 547 R CB 2.005 32.420 30.300 0.193 0.000 1.202 547 R HN 0.510 nan 8.270 nan 0.000 0.469 548 H N 2.659 121.488 119.070 -0.402 0.000 2.481 548 H HA 0.322 4.147 4.556 -1.218 0.000 0.339 548 H C -1.791 173.139 175.328 -0.663 0.000 1.131 548 H CA -2.066 53.496 56.048 -0.810 0.000 1.301 548 H CB 2.129 31.174 29.762 -1.196 0.000 1.476 548 H HN 0.396 nan 8.280 nan 0.000 0.529 549 P HA 0.154 nan 4.420 nan 0.000 0.255 549 P C -0.032 177.069 177.300 -0.331 0.000 1.427 549 P CA 0.416 62.967 63.100 -0.915 0.000 0.863 549 P CB 0.496 31.281 31.700 -1.525 0.000 1.444 550 K N -1.398 118.925 120.400 -0.128 0.000 2.824 550 K HA 0.175 3.764 4.320 -1.218 0.000 0.178 550 K C 0.295 176.924 176.600 0.047 0.000 1.749 550 K CA 0.034 56.247 56.287 -0.124 0.000 1.342 550 K CB 0.330 32.697 32.500 -0.221 0.000 1.902 550 K HN 0.038 nan 8.250 nan 0.000 0.618 551 F N 3.754 123.418 119.950 -0.476 0.000 2.451 551 F HA 0.155 3.951 4.527 -1.219 0.000 0.356 551 F C 0.751 176.233 175.800 -0.529 0.000 1.178 551 F CA -0.785 56.837 58.000 -0.631 0.000 1.210 551 F CB 0.435 38.731 39.000 -1.174 0.000 1.504 551 F HN -0.018 nan 8.300 nan 0.000 0.598 552 D N 2.914 123.307 120.400 -0.011 0.000 2.190 552 D HA -0.223 3.686 4.640 -1.218 0.000 0.200 552 D C 2.097 178.447 176.300 0.084 0.000 0.992 552 D CA 1.408 55.438 54.000 0.050 0.000 0.854 552 D CB -0.090 40.775 40.800 0.109 0.000 0.936 552 D HN 0.715 nan 8.370 nan 0.000 0.462 553 W N 0.377 121.786 121.300 0.181 0.000 2.421 553 W HA -0.131 3.798 4.660 -1.219 0.000 0.270 553 W C 1.752 178.371 176.519 0.167 0.000 1.233 553 W CA -0.234 57.190 57.345 0.131 0.000 1.226 553 W CB -1.365 28.136 29.460 0.069 0.000 1.121 553 W HN -0.150 nan 8.180 nan 0.000 0.579 554 F N 3.742 123.346 119.950 -0.577 0.000 2.063 554 F HA -0.337 3.459 4.527 -1.219 0.000 0.298 554 F C 2.834 178.601 175.800 -0.054 0.000 1.109 554 F CA 3.636 61.346 58.000 -0.482 0.000 1.212 554 F CB -0.455 38.254 39.000 -0.485 0.000 0.973 554 F HN -0.094 nan 8.300 nan 0.000 0.480 555 K N -0.290 120.204 120.400 0.156 0.000 2.127 555 K HA -0.252 3.337 4.320 -1.218 0.000 0.208 555 K C 1.569 178.219 176.600 0.083 0.000 1.047 555 K CA 2.053 58.417 56.287 0.129 0.000 0.927 555 K CB -0.877 31.696 32.500 0.123 0.000 0.716 555 K HN 0.250 nan 8.250 nan 0.000 0.450 556 D N 1.413 121.880 120.400 0.113 0.000 2.221 556 D HA -0.124 3.785 4.640 -1.218 0.000 0.204 556 D C 1.972 178.319 176.300 0.077 0.000 0.982 556 D CA 0.963 55.030 54.000 0.111 0.000 0.857 556 D CB -0.164 40.730 40.800 0.158 0.000 0.934 556 D HN 0.297 nan 8.370 nan 0.000 0.475 557 L N 0.224 121.463 121.223 0.027 0.000 2.351 557 L HA -0.098 3.511 4.340 -1.218 0.000 0.220 557 L C 1.486 178.365 176.870 0.014 0.000 1.127 557 L CA 0.793 55.614 54.840 -0.031 0.000 0.786 557 L CB -0.682 41.224 42.059 -0.255 0.000 0.914 557 L HN 0.103 nan 8.230 nan 0.000 0.443 558 G N 0.670 109.495 108.800 0.041 0.000 2.295 558 G HA2 -0.279 2.950 3.960 -1.218 0.000 0.287 558 G HA3 -0.279 2.950 3.960 -1.218 0.000 0.287 558 G C -0.101 174.886 174.900 0.145 0.000 1.055 558 G CA -0.049 45.113 45.100 0.103 0.000 0.922 558 G HN 0.258 nan 8.290 nan 0.000 0.503 559 L N -0.429 120.803 121.223 0.015 0.000 2.325 559 L HA 0.826 4.435 4.340 -1.218 0.000 0.278 559 L C 0.465 177.227 176.870 -0.179 0.000 1.023 559 L CA -0.847 53.938 54.840 -0.092 0.000 0.811 559 L CB 1.968 43.925 42.059 -0.171 0.000 1.249 559 L HN 0.476 nan 8.230 nan 0.000 0.431 560 K N 1.666 121.766 120.400 -0.500 0.000 2.551 560 K HA 0.492 4.081 4.320 -1.218 0.000 0.269 560 K C -2.087 174.481 176.600 -0.054 0.000 0.949 560 K CA -0.988 55.149 56.287 -0.250 0.000 0.849 560 K CB 2.528 34.833 32.500 -0.324 0.000 1.411 560 K HN 0.578 nan 8.250 nan 0.000 0.432 561 W N 2.813 124.109 121.300 -0.007 0.000 3.062 561 W HA 0.382 4.314 4.660 -1.213 0.000 0.336 561 W C -1.140 175.505 176.519 0.210 0.000 1.224 561 W CA -0.938 56.492 57.345 0.140 0.000 1.159 561 W CB 1.759 31.159 29.460 -0.101 0.000 1.454 561 W HN 0.716 nan 8.180 nan 0.000 0.569 562 Y N 0.119 120.355 120.300 -0.107 0.000 2.301 562 Y HA 0.543 4.365 4.550 -1.212 0.000 0.328 562 Y C 0.988 177.095 175.900 0.346 0.000 1.242 562 Y CA 0.018 58.121 58.100 0.005 0.000 1.323 562 Y CB 0.394 38.714 38.460 -0.233 0.000 1.266 562 Y HN 0.441 nan 8.280 nan 0.000 0.527 563 G N 1.627 110.649 108.800 0.369 0.000 2.777 563 G HA2 0.049 3.278 3.960 -1.218 0.000 0.211 563 G HA3 0.049 3.278 3.960 -1.218 0.000 0.211 563 G C -0.401 174.811 174.900 0.520 0.000 1.149 563 G CA -0.038 45.339 45.100 0.461 0.000 0.785 563 G HN 0.529 nan 8.290 nan 0.000 0.536 564 L N 2.501 123.999 121.223 0.458 0.000 2.277 564 L HA 0.486 4.094 4.340 -1.218 0.000 0.284 564 L C -2.370 174.661 176.870 0.269 0.000 1.028 564 L CA -2.629 52.392 54.840 0.303 0.000 0.835 564 L CB 1.771 43.947 42.059 0.196 0.000 1.215 564 L HN -0.194 nan 8.230 nan 0.000 0.425 565 P HA 0.350 nan 4.420 nan 0.000 0.293 565 P C -1.335 175.875 177.300 -0.149 0.000 1.313 565 P CA -0.367 62.607 63.100 -0.211 0.000 0.787 565 P CB 1.537 32.650 31.700 -0.978 0.000 0.910 566 A N 4.379 127.120 122.820 -0.131 0.000 2.855 566 A HA 0.329 3.918 4.320 -1.218 0.000 0.313 566 A C -0.212 177.134 177.584 -0.395 0.000 1.173 566 A CA -0.624 51.256 52.037 -0.262 0.000 0.753 566 A CB 0.483 19.346 19.000 -0.229 0.000 1.200 566 A HN 0.289 nan 8.150 nan 0.000 0.442 567 V N 2.743 122.297 119.914 -0.599 0.000 2.506 567 V HA 0.045 3.434 4.120 -1.218 0.000 0.296 567 V C 1.381 177.028 176.094 -0.746 0.000 1.004 567 V CA 1.658 63.548 62.300 -0.684 0.000 1.150 567 V CB 0.499 31.769 31.823 -0.922 0.000 0.911 567 V HN 1.059 nan 8.190 nan 0.000 0.476 568 S N 2.106 117.566 115.700 -0.400 0.000 2.603 568 S HA 0.042 3.781 4.470 -1.218 0.000 0.232 568 S C 0.908 175.427 174.600 -0.134 0.000 1.016 568 S CA 0.078 58.119 58.200 -0.265 0.000 0.976 568 S CB -0.288 62.803 63.200 -0.182 0.000 0.921 568 S HN 0.912 nan 8.310 nan 0.000 0.516 569 N N 0.465 119.088 118.700 -0.128 0.000 2.230 569 N HA 0.266 4.275 4.740 -1.218 0.000 0.202 569 N C 0.363 175.871 175.510 -0.003 0.000 1.119 569 N CA -0.383 52.630 53.050 -0.061 0.000 0.851 569 N CB 0.044 38.485 38.487 -0.076 0.000 0.990 569 N HN 0.300 nan 8.380 nan 0.000 0.497 570 M N 1.018 120.629 119.600 0.018 0.000 2.245 570 M HA 0.343 4.091 4.480 -1.218 0.000 0.292 570 M C -0.553 175.851 176.300 0.174 0.000 1.176 570 M CA -0.676 54.689 55.300 0.108 0.000 1.035 570 M CB 1.716 34.407 32.600 0.152 0.000 1.440 570 M HN 0.079 nan 8.290 nan 0.000 0.494 571 L N 2.086 123.422 121.223 0.188 0.000 2.349 571 L HA 0.486 4.095 4.340 -1.218 0.000 0.278 571 L C -1.542 175.428 176.870 0.167 0.000 0.996 571 L CA -0.972 53.970 54.840 0.170 0.000 0.825 571 L CB 1.393 43.505 42.059 0.090 0.000 1.243 571 L HN 0.519 nan 8.230 nan 0.000 0.412 572 L N 4.958 126.286 121.223 0.175 0.000 2.290 572 L HA 0.412 4.021 4.340 -1.218 0.000 0.284 572 L C -0.339 176.553 176.870 0.038 0.000 1.078 572 L CA 0.426 55.246 54.840 -0.034 0.000 0.815 572 L CB 1.215 43.239 42.059 -0.059 0.000 1.162 572 L HN 0.700 nan 8.230 nan 0.000 0.435 573 E N 6.006 126.143 120.200 -0.106 0.000 2.145 573 E HA 0.504 4.123 4.350 -1.218 0.000 0.270 573 E C -1.502 175.027 176.600 -0.119 0.000 0.906 573 E CA -0.499 55.859 56.400 -0.070 0.000 0.761 573 E CB 0.979 30.630 29.700 -0.082 0.000 1.116 573 E HN 0.699 nan 8.360 nan 0.000 0.408 574 I N 3.325 123.839 120.570 -0.093 0.000 2.499 574 I HA 0.314 3.753 4.170 -1.218 0.000 0.288 574 I C 0.672 176.603 176.117 -0.309 0.000 1.048 574 I CA -0.842 60.289 61.300 -0.281 0.000 1.062 574 I CB 2.053 39.868 38.000 -0.308 0.000 1.238 574 I HN 0.871 nan 8.210 nan 0.000 0.426 575 G N 4.284 112.876 108.800 -0.346 0.000 2.421 575 G HA2 -0.119 3.110 3.960 -1.218 0.000 0.300 575 G HA3 -0.119 3.110 3.960 -1.218 0.000 0.300 575 G C 1.075 176.030 174.900 0.091 0.000 0.974 575 G CA 0.929 46.004 45.100 -0.041 0.000 1.062 575 G HN 1.546 nan 8.290 nan 0.000 0.514 576 G N -1.705 107.101 108.800 0.011 0.000 2.304 576 G HA2 -0.292 2.937 3.960 -1.218 0.000 0.252 576 G HA3 -0.292 2.937 3.960 -1.218 0.000 0.252 576 G C 0.634 175.510 174.900 -0.041 0.000 1.014 576 G CA 0.585 45.698 45.100 0.022 0.000 0.619 576 G HN 1.336 nan 8.290 nan 0.000 0.525 577 L N 1.276 122.427 121.223 -0.120 0.000 2.380 577 L HA 0.456 4.065 4.340 -1.218 0.000 0.273 577 L C 0.386 177.008 176.870 -0.413 0.000 1.138 577 L CA -0.102 54.536 54.840 -0.337 0.000 0.832 577 L CB 0.749 42.478 42.059 -0.549 0.000 1.124 577 L HN 0.248 nan 8.230 nan 0.000 0.454 578 E N 3.391 123.307 120.200 -0.474 0.000 2.145 578 E HA 0.360 3.979 4.350 -1.218 0.000 0.270 578 E C -1.428 174.884 176.600 -0.479 0.000 0.906 578 E CA -0.421 55.773 56.400 -0.343 0.000 0.761 578 E CB 1.490 31.095 29.700 -0.159 0.000 1.116 578 E HN 0.273 nan 8.360 nan 0.000 0.408 579 F N 1.800 121.722 119.950 -0.047 0.000 2.308 579 F HA 0.099 3.893 4.527 -1.221 0.000 0.370 579 F C 1.503 177.331 175.800 0.047 0.000 1.100 579 F CA -0.549 57.444 58.000 -0.012 0.000 1.108 579 F CB 1.323 40.293 39.000 -0.049 0.000 1.293 579 F HN 0.433 nan 8.300 nan 0.000 0.478 580 S N 1.555 117.370 115.700 0.192 0.000 2.522 580 S HA 0.323 4.062 4.470 -1.218 0.000 0.227 580 S C 0.704 175.429 174.600 0.210 0.000 0.986 580 S CA 0.231 58.532 58.200 0.168 0.000 0.929 580 S CB 0.093 63.369 63.200 0.126 0.000 0.769 580 S HN 0.519 nan 8.310 nan 0.000 0.529 581 A N 0.990 123.984 122.820 0.291 0.000 2.466 581 A HA 0.588 4.177 4.320 -1.218 0.000 0.291 581 A C -0.123 177.688 177.584 0.378 0.000 1.234 581 A CA -0.638 51.604 52.037 0.341 0.000 0.752 581 A CB 0.161 19.400 19.000 0.399 0.000 1.153 581 A HN 1.006 nan 8.150 nan 0.000 0.458 582 C N 0.887 120.350 119.300 0.272 0.000 3.327 582 C HA 0.488 4.217 4.460 -1.218 0.000 0.192 582 C C -2.600 172.504 174.990 0.190 0.000 1.603 582 C CA -1.809 57.333 59.018 0.207 0.000 1.222 582 C CB -0.255 27.645 27.740 0.267 0.000 1.981 582 C HN 0.575 nan 8.230 nan 0.000 0.563 583 P HA 0.316 nan 4.420 nan 0.000 0.265 583 P C -0.628 176.665 177.300 -0.010 0.000 1.193 583 P CA 0.964 64.003 63.100 -0.102 0.000 0.765 583 P CB 0.546 32.172 31.700 -0.123 0.000 0.823 584 F N -0.285 119.586 119.950 -0.131 0.000 2.613 584 F HA 0.782 4.579 4.527 -1.216 0.000 0.314 584 F C -0.649 175.048 175.800 -0.172 0.000 1.075 584 F CA -1.197 56.733 58.000 -0.117 0.000 0.945 584 F CB 1.548 40.348 39.000 -0.333 0.000 1.310 584 F HN 0.425 nan 8.300 nan 0.000 0.467 585 S N 0.102 115.891 115.700 0.148 0.000 2.579 585 S HA 0.971 4.709 4.470 -1.218 0.000 0.272 585 S C -0.758 173.793 174.600 -0.083 0.000 1.141 585 S CA -0.168 58.045 58.200 0.021 0.000 0.843 585 S CB 1.550 64.828 63.200 0.130 0.000 1.122 585 S HN 1.553 nan 8.310 nan 0.000 0.468 586 G N -0.178 108.524 108.800 -0.164 0.000 3.321 586 G HA2 0.719 3.948 3.960 -1.218 0.000 0.169 586 G HA3 0.719 3.948 3.960 -1.218 0.000 0.169 586 G C -1.767 173.100 174.900 -0.055 0.000 1.153 586 G CA -0.268 44.640 45.100 -0.320 0.000 1.007 586 G HN 1.196 nan 8.290 nan 0.000 0.668 587 W N -1.308 119.985 121.300 -0.011 0.000 3.083 587 W HA 0.796 4.724 4.660 -1.220 0.000 0.333 587 W C -1.422 175.081 176.519 -0.027 0.000 1.217 587 W CA -2.167 55.182 57.345 0.008 0.000 1.170 587 W CB 0.361 29.874 29.460 0.088 0.000 1.437 587 W HN 0.486 nan 8.180 nan 0.000 0.557 588 Y N 2.659 123.131 120.300 0.287 0.000 2.457 588 Y HA 0.197 4.016 4.550 -1.219 0.000 0.341 588 Y C 0.986 176.938 175.900 0.087 0.000 1.240 588 Y CA -0.280 57.871 58.100 0.084 0.000 1.437 588 Y CB 0.958 39.357 38.460 -0.101 0.000 1.328 588 Y HN 0.452 nan 8.280 nan 0.000 0.588 589 M N 2.181 121.921 119.600 0.234 0.000 2.238 589 M HA 0.355 4.104 4.480 -1.218 0.000 0.350 589 M C 1.100 177.399 176.300 -0.000 0.000 1.138 589 M CA -0.057 55.315 55.300 0.120 0.000 1.040 589 M CB 1.371 34.021 32.600 0.083 0.000 1.639 589 M HN 0.857 nan 8.290 nan 0.000 0.451 590 G N 1.557 110.317 108.800 -0.067 0.000 2.574 590 G HA2 -0.331 2.898 3.960 -1.218 0.000 0.220 590 G HA3 -0.331 2.898 3.960 -1.218 0.000 0.220 590 G C 1.171 175.933 174.900 -0.230 0.000 1.173 590 G CA 1.898 46.883 45.100 -0.191 0.000 0.772 590 G HN 0.908 nan 8.290 nan 0.000 0.585 591 T N -0.610 113.855 114.554 -0.149 0.000 2.778 591 T HA -0.119 3.499 4.350 -1.218 0.000 0.269 591 T C 1.956 176.502 174.700 -0.256 0.000 1.050 591 T CA 1.812 63.780 62.100 -0.220 0.000 1.137 591 T CB -0.406 68.299 68.868 -0.272 0.000 0.860 591 T HN 0.561 nan 8.240 nan 0.000 0.468 592 E N 0.877 120.946 120.200 -0.219 0.000 2.118 592 E HA -0.069 3.550 4.350 -1.218 0.000 0.195 592 E C 2.082 178.427 176.600 -0.426 0.000 0.992 592 E CA 1.524 57.801 56.400 -0.205 0.000 0.804 592 E CB -0.342 29.373 29.700 0.025 0.000 0.741 592 E HN 0.622 nan 8.360 nan 0.000 0.458 593 I N 0.101 120.248 120.570 -0.705 0.000 2.368 593 I HA -0.047 3.392 4.170 -1.218 0.000 0.238 593 I C 2.617 178.168 176.117 -0.942 0.000 1.076 593 I CA 0.886 61.477 61.300 -1.181 0.000 1.397 593 I CB -0.590 36.503 38.000 -1.513 0.000 1.141 593 I HN 0.100 nan 8.210 nan 0.000 0.430 594 G N 0.608 109.054 108.800 -0.590 0.000 2.442 594 G HA2 -0.149 3.080 3.960 -1.218 0.000 0.219 594 G HA3 -0.149 3.080 3.960 -1.218 0.000 0.219 594 G C 1.601 176.436 174.900 -0.109 0.000 1.141 594 G CA 1.136 46.102 45.100 -0.223 0.000 0.763 594 G HN 0.230 nan 8.290 nan 0.000 0.554 595 V N 0.035 119.838 119.914 -0.185 0.000 2.403 595 V HA 0.074 3.463 4.120 -1.218 0.000 0.239 595 V C 2.810 178.833 176.094 -0.118 0.000 1.041 595 V CA 0.993 63.215 62.300 -0.131 0.000 1.051 595 V CB -0.238 31.480 31.823 -0.176 0.000 0.704 595 V HN 0.121 nan 8.190 nan 0.000 0.472 596 R N 0.748 121.142 120.500 -0.176 0.000 2.052 596 R HA -0.030 3.579 4.340 -1.218 0.000 0.226 596 R C 1.967 178.206 176.300 -0.101 0.000 1.145 596 R CA 1.530 57.548 56.100 -0.136 0.000 0.952 596 R CB -1.098 29.110 30.300 -0.154 0.000 0.847 596 R HN 0.484 nan 8.270 nan 0.000 0.431 597 D N 0.033 120.289 120.400 -0.241 0.000 2.144 597 D HA -0.133 3.776 4.640 -1.218 0.000 0.200 597 D C 2.047 178.362 176.300 0.025 0.000 0.978 597 D CA 1.219 55.088 54.000 -0.217 0.000 0.833 597 D CB -0.264 40.045 40.800 -0.817 0.000 0.961 597 D HN 0.364 nan 8.370 nan 0.000 0.470 598 Y N -0.222 119.978 120.300 -0.166 0.000 2.347 598 Y HA -0.034 3.784 4.550 -1.219 0.000 0.294 598 Y C 2.266 178.209 175.900 0.072 0.000 1.117 598 Y CA 0.279 58.369 58.100 -0.017 0.000 1.184 598 Y CB 0.326 38.737 38.460 -0.081 0.000 1.047 598 Y HN 0.015 nan 8.280 nan 0.000 0.546 599 C N -0.774 118.632 119.300 0.177 0.000 2.912 599 C HA 0.148 3.877 4.460 -1.218 0.000 0.274 599 C C 0.289 175.323 174.990 0.073 0.000 1.248 599 C CA -0.769 58.318 59.018 0.116 0.000 1.694 599 C CB -0.848 26.935 27.740 0.072 0.000 2.024 599 C HN 0.249 nan 8.230 nan 0.000 0.605 600 D N 1.885 122.321 120.400 0.060 0.000 2.472 600 D HA 0.006 3.915 4.640 -1.218 0.000 0.237 600 D C 1.110 177.446 176.300 0.060 0.000 1.141 600 D CA 0.462 54.485 54.000 0.038 0.000 0.875 600 D CB 0.499 41.319 40.800 0.034 0.000 1.192 600 D HN 0.196 nan 8.370 nan 0.000 0.450 601 N N 0.232 118.957 118.700 0.041 0.000 2.244 601 N HA -0.133 3.876 4.740 -1.218 0.000 0.183 601 N C 1.121 176.660 175.510 0.048 0.000 1.016 601 N CA 0.745 53.823 53.050 0.047 0.000 0.866 601 N CB -0.040 38.468 38.487 0.036 0.000 0.980 601 N HN 0.371 nan 8.380 nan 0.000 0.430 602 S N -0.203 115.524 115.700 0.044 0.000 2.660 602 S HA 0.289 4.028 4.470 -1.218 0.000 0.227 602 S C 0.951 175.582 174.600 0.052 0.000 0.948 602 S CA -0.407 57.818 58.200 0.042 0.000 0.948 602 S CB 0.618 63.842 63.200 0.039 0.000 0.779 602 S HN -0.001 nan 8.310 nan 0.000 0.487 603 R N 0.253 120.800 120.500 0.078 0.000 2.769 603 R HA 0.402 4.011 4.340 -1.218 0.000 0.117 603 R C 0.564 176.916 176.300 0.085 0.000 1.152 603 R CA -0.626 55.549 56.100 0.124 0.000 0.887 603 R CB -1.092 29.340 30.300 0.219 0.000 1.099 603 R HN 0.281 nan 8.270 nan 0.000 0.398 604 Y N 1.799 122.217 120.300 0.195 0.000 2.574 604 Y HA -0.012 3.806 4.550 -1.220 0.000 0.294 604 Y C 0.619 176.596 175.900 0.130 0.000 1.142 604 Y CA 1.013 59.230 58.100 0.195 0.000 1.314 604 Y CB -0.545 38.110 38.460 0.325 0.000 0.991 604 Y HN 0.550 nan 8.280 nan 0.000 0.555 605 N N 1.087 119.915 118.700 0.213 0.000 2.696 605 N HA -0.233 3.776 4.740 -1.218 0.000 0.271 605 N C 0.419 176.018 175.510 0.149 0.000 0.997 605 N CA 0.327 53.464 53.050 0.146 0.000 0.801 605 N CB -0.931 37.613 38.487 0.094 0.000 0.913 605 N HN 0.622 nan 8.380 nan 0.000 0.557 606 I N -2.319 118.350 120.570 0.166 0.000 3.904 606 I HA 0.123 3.562 4.170 -1.218 0.000 0.333 606 I C 1.407 177.611 176.117 0.145 0.000 1.361 606 I CA -0.501 60.877 61.300 0.131 0.000 1.116 606 I CB 0.063 38.107 38.000 0.073 0.000 1.028 606 I HN 0.219 nan 8.210 nan 0.000 0.398 607 L N 0.977 122.303 121.223 0.172 0.000 2.017 607 L HA -0.156 3.453 4.340 -1.218 0.000 0.208 607 L C 2.609 179.673 176.870 0.324 0.000 1.073 607 L CA 1.838 56.814 54.840 0.227 0.000 0.745 607 L CB -0.434 41.730 42.059 0.175 0.000 0.894 607 L HN 0.363 nan 8.230 nan 0.000 0.432 608 E N -0.067 120.324 120.200 0.318 0.000 2.033 608 E HA -0.282 3.337 4.350 -1.218 0.000 0.199 608 E C 2.015 178.672 176.600 0.095 0.000 1.011 608 E CA 1.789 58.327 56.400 0.229 0.000 0.815 608 E CB -0.146 29.629 29.700 0.125 0.000 0.755 608 E HN 0.518 nan 8.360 nan 0.000 0.451 609 E N 0.314 120.559 120.200 0.074 0.000 2.065 609 E HA -0.234 3.385 4.350 -1.218 0.000 0.201 609 E C 2.235 178.856 176.600 0.035 0.000 1.016 609 E CA 1.734 58.148 56.400 0.024 0.000 0.818 609 E CB -0.227 29.494 29.700 0.035 0.000 0.749 609 E HN 0.088 nan 8.360 nan 0.000 0.453 610 V N 1.308 121.307 119.914 0.140 0.000 2.392 610 V HA -0.293 3.096 4.120 -1.218 0.000 0.249 610 V C 2.307 178.529 176.094 0.212 0.000 1.059 610 V CA 1.819 64.281 62.300 0.271 0.000 1.051 610 V CB -0.819 31.226 31.823 0.370 0.000 0.658 610 V HN 0.362 nan 8.190 nan 0.000 0.455 611 A N -0.186 122.751 122.820 0.195 0.000 1.877 611 A HA -0.224 3.365 4.320 -1.218 0.000 0.216 611 A C 2.286 179.836 177.584 -0.058 0.000 1.186 611 A CA 1.948 54.080 52.037 0.158 0.000 0.620 611 A CB -0.425 18.736 19.000 0.269 0.000 0.822 611 A HN 0.535 nan 8.150 nan 0.000 0.443 612 K N -0.126 120.197 120.400 -0.128 0.000 1.987 612 K HA -0.170 3.419 4.320 -1.218 0.000 0.216 612 K C 1.995 178.406 176.600 -0.316 0.000 1.051 612 K CA 1.644 57.803 56.287 -0.212 0.000 0.942 612 K CB -0.216 32.173 32.500 -0.186 0.000 0.722 612 K HN 0.186 nan 8.250 nan 0.000 0.444 613 K N 0.471 120.599 120.400 -0.453 0.000 2.228 613 K HA -0.147 3.442 4.320 -1.218 0.000 0.205 613 K C 1.895 177.917 176.600 -0.964 0.000 1.045 613 K CA 1.488 57.207 56.287 -0.947 0.000 0.931 613 K CB -0.169 31.321 32.500 -1.683 0.000 0.727 613 K HN 0.331 nan 8.250 nan 0.000 0.458 614 M N -0.206 119.106 119.600 -0.480 0.000 2.541 614 M HA -0.037 3.712 4.480 -1.218 0.000 0.252 614 M C -0.314 175.853 176.300 -0.222 0.000 1.125 614 M CA 0.148 55.287 55.300 -0.267 0.000 1.091 614 M CB -0.090 32.520 32.600 0.018 0.000 1.420 614 M HN 0.007 nan 8.290 nan 0.000 0.486 615 D N 1.832 122.091 120.400 -0.234 0.000 2.746 615 D HA -0.148 3.761 4.640 -1.218 0.000 0.241 615 D C -1.185 175.043 176.300 -0.120 0.000 1.140 615 D CA 0.438 54.327 54.000 -0.184 0.000 0.707 615 D CB -0.754 39.936 40.800 -0.184 0.000 1.034 615 D HN 0.268 nan 8.370 nan 0.000 0.423 616 L N 0.409 121.572 121.223 -0.100 0.000 2.344 616 L HA 0.407 4.015 4.340 -1.218 0.000 0.272 616 L C 0.805 177.605 176.870 -0.116 0.000 1.035 616 L CA -1.058 53.758 54.840 -0.040 0.000 0.807 616 L CB 1.076 43.184 42.059 0.081 0.000 1.237 616 L HN 0.034 nan 8.230 nan 0.000 0.442 617 D N 2.493 122.856 120.400 -0.062 0.000 2.367 617 D HA 0.077 3.986 4.640 -1.218 0.000 0.255 617 D C 0.479 176.650 176.300 -0.215 0.000 1.300 617 D CA 0.325 54.264 54.000 -0.102 0.000 0.959 617 D CB 0.658 41.447 40.800 -0.019 0.000 1.064 617 D HN 0.374 nan 8.370 nan 0.000 0.509 618 M N 2.604 121.914 119.600 -0.484 0.000 2.505 618 M HA 0.130 3.879 4.480 -1.218 0.000 0.230 618 M C 1.724 177.782 176.300 -0.403 0.000 1.153 618 M CA -0.090 54.621 55.300 -0.982 0.000 0.997 618 M CB 0.411 32.239 32.600 -1.287 0.000 1.606 618 M HN 0.177 nan 8.290 nan 0.000 0.481 619 R N 1.788 122.182 120.500 -0.178 0.000 2.075 619 R HA -0.043 3.566 4.340 -1.218 0.000 0.232 619 R C 0.134 176.455 176.300 0.036 0.000 1.126 619 R CA 1.005 57.068 56.100 -0.062 0.000 0.963 619 R CB -0.001 30.272 30.300 -0.045 0.000 0.858 619 R HN 0.360 nan 8.270 nan 0.000 0.435 620 K N -0.271 120.187 120.400 0.097 0.000 2.397 620 K HA 0.237 3.826 4.320 -1.218 0.000 0.253 620 K C 0.497 177.256 176.600 0.265 0.000 0.932 620 K CA -0.402 55.976 56.287 0.151 0.000 0.795 620 K CB 1.916 34.472 32.500 0.094 0.000 1.159 620 K HN -0.136 nan 8.250 nan 0.000 0.424 621 T N -1.287 113.407 114.554 0.234 0.000 2.778 621 T HA -0.243 3.375 4.350 -1.218 0.000 0.269 621 T C 1.683 176.435 174.700 0.087 0.000 1.050 621 T CA 1.798 63.996 62.100 0.163 0.000 1.137 621 T CB -0.652 68.254 68.868 0.064 0.000 0.860 621 T HN 0.626 nan 8.240 nan 0.000 0.468 622 S N 1.971 117.723 115.700 0.087 0.000 2.537 622 S HA -0.060 3.679 4.470 -1.218 0.000 0.240 622 S C 2.089 176.736 174.600 0.077 0.000 0.981 622 S CA 0.809 59.045 58.200 0.059 0.000 0.948 622 S CB -0.817 62.413 63.200 0.050 0.000 0.759 622 S HN 0.831 nan 8.310 nan 0.000 0.531 623 S N 1.612 117.393 115.700 0.136 0.000 2.527 623 S HA 0.244 3.983 4.470 -1.218 0.000 0.222 623 S C 0.898 175.580 174.600 0.136 0.000 0.985 623 S CA 0.045 58.333 58.200 0.147 0.000 0.921 623 S CB -0.915 62.406 63.200 0.200 0.000 0.772 623 S HN 0.568 nan 8.310 nan 0.000 0.529 624 L N 0.954 122.224 121.223 0.078 0.000 3.717 624 L HA -0.178 3.431 4.340 -1.218 0.000 0.414 624 L C 1.639 178.510 176.870 0.003 0.000 1.228 624 L CA 0.611 55.434 54.840 -0.027 0.000 0.918 624 L CB -2.486 39.571 42.059 -0.004 0.000 1.865 624 L HN 0.705 nan 8.230 nan 0.000 0.922 625 W N 0.066 121.385 121.300 0.032 0.000 2.358 625 W HA -0.144 3.784 4.660 -1.219 0.000 0.303 625 W C 1.763 178.315 176.519 0.054 0.000 1.208 625 W CA 1.398 58.767 57.345 0.041 0.000 1.274 625 W CB -0.834 28.643 29.460 0.028 0.000 1.138 625 W HN 0.254 nan 8.180 nan 0.000 0.515 626 K N 0.970 120.876 120.400 -0.822 0.000 2.113 626 K HA -0.195 3.394 4.320 -1.218 0.000 0.208 626 K C 1.493 177.953 176.600 -0.233 0.000 1.047 626 K CA 2.468 58.340 56.287 -0.692 0.000 0.928 626 K CB -0.321 31.600 32.500 -0.964 0.000 0.716 626 K HN 0.126 nan 8.250 nan 0.000 0.446 627 D N 0.397 120.686 120.400 -0.186 0.000 2.103 627 D HA -0.119 3.790 4.640 -1.218 0.000 0.199 627 D C 2.001 178.315 176.300 0.022 0.000 0.978 627 D CA 0.917 54.875 54.000 -0.070 0.000 0.829 627 D CB -0.026 40.736 40.800 -0.063 0.000 0.981 627 D HN 0.163 nan 8.370 nan 0.000 0.464 628 Q N 0.292 120.134 119.800 0.070 0.000 2.061 628 Q HA -0.178 3.431 4.340 -1.218 0.000 0.204 628 Q C 2.270 178.379 176.000 0.182 0.000 0.984 628 Q CA 1.496 57.379 55.803 0.133 0.000 0.846 628 Q CB -0.225 28.613 28.738 0.168 0.000 0.902 628 Q HN 0.299 nan 8.270 nan 0.000 0.421 629 A N 0.793 123.739 122.820 0.210 0.000 1.873 629 A HA -0.175 3.414 4.320 -1.218 0.000 0.215 629 A C 2.058 179.770 177.584 0.213 0.000 1.186 629 A CA 1.110 53.310 52.037 0.271 0.000 0.616 629 A CB -0.702 18.485 19.000 0.312 0.000 0.823 629 A HN 0.341 nan 8.150 nan 0.000 0.442 630 L N 0.221 121.517 121.223 0.123 0.000 1.997 630 L HA -0.196 3.413 4.340 -1.218 0.000 0.216 630 L C 2.436 179.357 176.870 0.086 0.000 1.074 630 L CA 2.297 57.184 54.840 0.079 0.000 0.763 630 L CB -0.637 41.426 42.059 0.006 0.000 0.890 630 L HN 0.190 nan 8.230 nan 0.000 0.434 631 V N -0.261 119.705 119.914 0.085 0.000 2.255 631 V HA -0.286 3.103 4.120 -1.218 0.000 0.247 631 V C 2.664 178.810 176.094 0.087 0.000 1.051 631 V CA 1.979 64.328 62.300 0.081 0.000 1.018 631 V CB -0.808 31.068 31.823 0.088 0.000 0.641 631 V HN 0.473 nan 8.190 nan 0.000 0.445 632 E N 0.057 120.350 120.200 0.154 0.000 2.038 632 E HA -0.197 3.422 4.350 -1.218 0.000 0.195 632 E C 2.179 178.826 176.600 0.077 0.000 1.000 632 E CA 1.580 58.082 56.400 0.171 0.000 0.803 632 E CB -0.482 29.438 29.700 0.367 0.000 0.750 632 E HN 0.579 nan 8.360 nan 0.000 0.448 633 I N 1.787 122.487 120.570 0.218 0.000 2.113 633 I HA -0.337 3.102 4.170 -1.218 0.000 0.242 633 I C 2.145 178.310 176.117 0.079 0.000 1.064 633 I CA 1.226 62.683 61.300 0.262 0.000 1.320 633 I CB -0.424 37.765 38.000 0.314 0.000 1.028 633 I HN 0.119 nan 8.210 nan 0.000 0.406 634 N N 0.676 119.400 118.700 0.040 0.000 2.289 634 N HA -0.118 3.891 4.740 -1.218 0.000 0.184 634 N C 1.959 177.423 175.510 -0.077 0.000 1.016 634 N CA 1.253 54.291 53.050 -0.020 0.000 0.872 634 N CB -0.037 38.444 38.487 -0.010 0.000 0.973 634 N HN 0.403 nan 8.380 nan 0.000 0.433 635 I N 1.176 121.664 120.570 -0.136 0.000 2.315 635 I HA -0.209 3.230 4.170 -1.218 0.000 0.248 635 I C 2.392 178.298 176.117 -0.351 0.000 1.117 635 I CA 0.509 61.668 61.300 -0.234 0.000 1.404 635 I CB -0.134 37.672 38.000 -0.325 0.000 1.071 635 I HN 0.056 nan 8.210 nan 0.000 0.419 636 A N 0.366 122.882 122.820 -0.506 0.000 1.858 636 A HA -0.170 3.419 4.320 -1.218 0.000 0.216 636 A C 2.402 179.911 177.584 -0.126 0.000 1.190 636 A CA 1.772 53.484 52.037 -0.540 0.000 0.617 636 A CB -1.032 17.419 19.000 -0.916 0.000 0.827 636 A HN 0.209 nan 8.150 nan 0.000 0.443 637 V N 0.318 120.205 119.914 -0.045 0.000 2.231 637 V HA -0.323 3.066 4.120 -1.218 0.000 0.248 637 V C 2.615 178.707 176.094 -0.004 0.000 1.054 637 V CA 2.291 64.596 62.300 0.009 0.000 1.015 637 V CB -0.885 30.859 31.823 -0.132 0.000 0.638 637 V HN 0.591 nan 8.190 nan 0.000 0.444 638 L N -1.456 119.726 121.223 -0.069 0.000 2.079 638 L HA -0.232 3.377 4.340 -1.218 0.000 0.210 638 L C 2.463 179.350 176.870 0.028 0.000 1.081 638 L CA 2.004 56.819 54.840 -0.043 0.000 0.752 638 L CB -0.727 41.303 42.059 -0.049 0.000 0.896 638 L HN 0.451 nan 8.230 nan 0.000 0.433 639 Y N 0.433 120.670 120.300 -0.105 0.000 2.163 639 Y HA -0.216 3.603 4.550 -1.218 0.000 0.288 639 Y C 2.747 178.625 175.900 -0.038 0.000 1.136 639 Y CA 1.607 59.639 58.100 -0.113 0.000 1.147 639 Y CB -0.192 38.126 38.460 -0.238 0.000 0.987 639 Y HN 0.048 nan 8.280 nan 0.000 0.509 640 S N 0.405 116.080 115.700 -0.041 0.000 2.344 640 S HA -0.183 3.556 4.470 -1.218 0.000 0.217 640 S C 1.781 176.352 174.600 -0.049 0.000 1.033 640 S CA 1.592 59.752 58.200 -0.066 0.000 1.017 640 S CB -0.929 62.345 63.200 0.122 0.000 0.941 640 S HN 0.442 nan 8.310 nan 0.000 0.430 641 F N 2.077 121.960 119.950 -0.111 0.000 2.087 641 F HA -0.231 3.564 4.527 -1.219 0.000 0.299 641 F C 2.710 178.439 175.800 -0.118 0.000 1.100 641 F CA 1.528 59.481 58.000 -0.079 0.000 1.226 641 F CB -0.815 38.162 39.000 -0.039 0.000 0.983 641 F HN 0.274 nan 8.300 nan 0.000 0.479 642 Q N -0.725 119.098 119.800 0.038 0.000 2.050 642 Q HA -0.174 3.435 4.340 -1.218 0.000 0.202 642 Q C 2.412 178.314 176.000 -0.164 0.000 0.980 642 Q CA 1.881 57.644 55.803 -0.068 0.000 0.840 642 Q CB -0.424 28.260 28.738 -0.089 0.000 0.898 642 Q HN 0.291 nan 8.270 nan 0.000 0.424 643 S N 1.243 116.759 115.700 -0.306 0.000 2.374 643 S HA -0.147 3.592 4.470 -1.218 0.000 0.227 643 S C 0.975 175.458 174.600 -0.195 0.000 1.037 643 S CA 1.477 59.478 58.200 -0.331 0.000 1.024 643 S CB -0.202 62.682 63.200 -0.527 0.000 0.861 643 S HN 0.345 nan 8.310 nan 0.000 0.456 644 D N 0.429 120.723 120.400 -0.177 0.000 2.319 644 D HA 0.186 4.095 4.640 -1.218 0.000 0.230 644 D C 0.079 176.306 176.300 -0.122 0.000 1.094 644 D CA 0.145 54.057 54.000 -0.147 0.000 0.856 644 D CB -0.147 40.545 40.800 -0.180 0.000 0.915 644 D HN 0.093 nan 8.370 nan 0.000 0.517 645 K N -0.572 119.765 120.400 -0.104 0.000 3.148 645 K HA -0.139 3.450 4.320 -1.218 0.000 0.267 645 K C -0.950 175.608 176.600 -0.069 0.000 0.996 645 K CA 0.221 56.460 56.287 -0.079 0.000 0.737 645 K CB -1.493 30.963 32.500 -0.074 0.000 1.308 645 K HN 0.032 nan 8.250 nan 0.000 0.470 646 V N 0.861 120.741 119.914 -0.056 0.000 2.435 646 V HA 0.242 3.631 4.120 -1.218 0.000 0.290 646 V C 0.793 176.952 176.094 0.107 0.000 1.030 646 V CA -0.824 61.466 62.300 -0.017 0.000 0.881 646 V CB 1.965 33.682 31.823 -0.176 0.000 0.983 646 V HN 0.313 nan 8.190 nan 0.000 0.445 647 T N 6.258 120.846 114.554 0.057 0.000 2.934 647 T HA 0.427 4.046 4.350 -1.218 0.000 0.306 647 T C -0.235 174.546 174.700 0.134 0.000 1.042 647 T CA 0.805 62.878 62.100 -0.045 0.000 1.145 647 T CB 0.117 68.823 68.868 -0.269 0.000 0.982 647 T HN 0.596 nan 8.240 nan 0.000 0.544 648 I N 2.080 122.665 120.570 0.025 0.000 2.842 648 I HA 0.547 3.986 4.170 -1.218 0.000 0.296 648 I C -1.670 174.470 176.117 0.039 0.000 1.538 648 I CA -0.862 60.493 61.300 0.091 0.000 0.994 648 I CB 1.750 39.748 38.000 -0.004 0.000 1.372 648 I HN 0.460 nan 8.210 nan 0.000 0.478 649 V N 5.216 125.201 119.914 0.119 0.000 2.656 649 V HA 0.511 3.900 4.120 -1.218 0.000 0.307 649 V C -1.211 174.917 176.094 0.057 0.000 1.051 649 V CA -0.267 62.095 62.300 0.103 0.000 0.893 649 V CB 2.306 34.264 31.823 0.225 0.000 0.999 649 V HN 0.862 nan 8.190 nan 0.000 0.426 650 D N 3.783 124.192 120.400 0.015 0.000 2.313 650 D HA 0.206 4.115 4.640 -1.218 0.000 0.247 650 D C 1.293 177.557 176.300 -0.061 0.000 1.094 650 D CA -0.005 53.972 54.000 -0.037 0.000 0.925 650 D CB 0.567 41.314 40.800 -0.089 0.000 1.188 650 D HN 0.741 nan 8.370 nan 0.000 0.430 651 H N 0.808 119.799 119.070 -0.132 0.000 2.457 651 H HA -0.184 3.641 4.556 -1.219 0.000 0.297 651 H C 0.877 176.100 175.328 -0.175 0.000 1.092 651 H CA 1.363 57.303 56.048 -0.181 0.000 1.309 651 H CB -0.545 29.052 29.762 -0.275 0.000 1.382 651 H HN 0.547 nan 8.280 nan 0.000 0.535 652 H N 0.771 119.650 119.070 -0.318 0.000 2.299 652 H HA -0.079 3.746 4.556 -1.218 0.000 0.302 652 H C 2.546 177.855 175.328 -0.032 0.000 1.078 652 H CA 1.512 57.472 56.048 -0.146 0.000 1.323 652 H CB -0.247 29.393 29.762 -0.204 0.000 1.381 652 H HN 0.423 nan 8.280 nan 0.000 0.498 653 S N 0.609 116.357 115.700 0.080 0.000 2.383 653 S HA -0.086 3.653 4.470 -1.218 0.000 0.227 653 S C 2.401 177.064 174.600 0.106 0.000 1.026 653 S CA 1.043 59.292 58.200 0.081 0.000 0.981 653 S CB -0.252 62.982 63.200 0.058 0.000 0.818 653 S HN 0.450 nan 8.310 nan 0.000 0.472 654 A N 1.021 123.903 122.820 0.104 0.000 1.898 654 A HA -0.054 3.535 4.320 -1.218 0.000 0.216 654 A C 2.501 180.182 177.584 0.161 0.000 1.181 654 A CA 2.299 54.420 52.037 0.139 0.000 0.620 654 A CB -1.624 17.449 19.000 0.121 0.000 0.819 654 A HN 0.790 nan 8.150 nan 0.000 0.442 655 T N -2.258 112.376 114.554 0.134 0.000 2.857 655 T HA -0.116 3.503 4.350 -1.218 0.000 0.266 655 T C 1.749 176.575 174.700 0.210 0.000 1.048 655 T CA 1.377 63.577 62.100 0.167 0.000 1.139 655 T CB -0.320 68.617 68.868 0.116 0.000 0.874 655 T HN 0.592 nan 8.240 nan 0.000 0.455 656 E N 1.140 121.439 120.200 0.164 0.000 2.077 656 E HA -0.147 3.472 4.350 -1.218 0.000 0.193 656 E C 2.343 179.031 176.600 0.147 0.000 0.989 656 E CA 1.337 57.823 56.400 0.143 0.000 0.800 656 E CB -0.230 29.535 29.700 0.109 0.000 0.746 656 E HN 0.540 nan 8.360 nan 0.000 0.452 657 S N 0.236 116.031 115.700 0.159 0.000 2.368 657 S HA -0.159 3.580 4.470 -1.218 0.000 0.225 657 S C 1.512 176.228 174.600 0.193 0.000 1.030 657 S CA 1.134 59.428 58.200 0.157 0.000 0.999 657 S CB -0.457 62.841 63.200 0.163 0.000 0.844 657 S HN 0.371 nan 8.310 nan 0.000 0.459 658 F N 2.427 122.446 119.950 0.115 0.000 2.134 658 F HA -0.113 3.682 4.527 -1.219 0.000 0.299 658 F C 1.869 177.762 175.800 0.156 0.000 1.097 658 F CA 1.018 59.106 58.000 0.147 0.000 1.264 658 F CB -0.277 38.789 39.000 0.111 0.000 1.001 658 F HN 0.099 nan 8.300 nan 0.000 0.479 659 I N 0.636 121.280 120.570 0.123 0.000 2.226 659 I HA -0.310 3.129 4.170 -1.218 0.000 0.245 659 I C 2.432 178.520 176.117 -0.048 0.000 1.100 659 I CA 1.592 62.909 61.300 0.029 0.000 1.374 659 I CB -1.369 36.696 38.000 0.109 0.000 1.057 659 I HN 0.222 nan 8.210 nan 0.000 0.413 660 K N 0.310 120.714 120.400 0.007 0.000 2.026 660 K HA -0.279 3.310 4.320 -1.218 0.000 0.208 660 K C 2.367 178.952 176.600 -0.025 0.000 1.048 660 K CA 1.814 58.104 56.287 0.005 0.000 0.929 660 K CB -0.287 32.239 32.500 0.043 0.000 0.713 660 K HN 0.299 nan 8.250 nan 0.000 0.439 661 H N 0.272 119.260 119.070 -0.137 0.000 2.387 661 H HA -0.055 3.770 4.556 -1.218 0.000 0.299 661 H C 1.981 177.165 175.328 -0.241 0.000 1.090 661 H CA 2.206 58.147 56.048 -0.178 0.000 1.332 661 H CB -0.052 29.584 29.762 -0.210 0.000 1.386 661 H HN 0.174 nan 8.280 nan 0.000 0.516 662 M N 0.024 119.314 119.600 -0.517 0.000 2.117 662 M HA -0.159 3.590 4.480 -1.218 0.000 0.262 662 M C 2.101 178.345 176.300 -0.093 0.000 1.065 662 M CA 2.038 57.108 55.300 -0.383 0.000 1.114 662 M CB -0.046 32.378 32.600 -0.293 0.000 1.361 662 M HN 0.465 nan 8.290 nan 0.000 0.408 663 E N -0.040 120.099 120.200 -0.102 0.000 2.051 663 E HA -0.192 3.427 4.350 -1.218 0.000 0.192 663 E C 1.694 178.280 176.600 -0.023 0.000 0.991 663 E CA 1.118 57.498 56.400 -0.033 0.000 0.799 663 E CB -0.293 29.380 29.700 -0.044 0.000 0.748 663 E HN 0.521 nan 8.360 nan 0.000 0.449 664 N N 1.091 119.743 118.700 -0.080 0.000 2.069 664 N HA -0.167 3.842 4.740 -1.218 0.000 0.191 664 N C 1.688 177.136 175.510 -0.104 0.000 1.031 664 N CA 1.008 54.019 53.050 -0.066 0.000 0.852 664 N CB -0.236 38.228 38.487 -0.038 0.000 1.018 664 N HN 0.180 nan 8.380 nan 0.000 0.423 665 E N 0.108 120.164 120.200 -0.240 0.000 2.110 665 E HA -0.129 3.490 4.350 -1.218 0.000 0.193 665 E C 1.895 178.358 176.600 -0.229 0.000 0.988 665 E CA 0.709 56.933 56.400 -0.293 0.000 0.804 665 E CB -0.366 29.034 29.700 -0.500 0.000 0.745 665 E HN 0.498 nan 8.360 nan 0.000 0.458 666 Y N 1.428 121.629 120.300 -0.165 0.000 2.200 666 Y HA -0.151 3.668 4.550 -1.218 0.000 0.290 666 Y C 2.571 178.426 175.900 -0.075 0.000 1.137 666 Y CA 1.820 59.861 58.100 -0.099 0.000 1.163 666 Y CB -0.079 38.333 38.460 -0.079 0.000 0.988 666 Y HN 0.085 nan 8.280 nan 0.000 0.518 667 R N -1.700 118.835 120.500 0.058 0.000 2.193 667 R HA 0.004 3.613 4.340 -1.218 0.000 0.213 667 R C 1.363 177.655 176.300 -0.013 0.000 1.055 667 R CA 1.503 57.617 56.100 0.023 0.000 0.995 667 R CB -0.970 29.343 30.300 0.022 0.000 0.893 667 R HN 0.268 nan 8.270 nan 0.000 0.459 668 C N -0.405 118.873 119.300 -0.038 0.000 3.065 668 C HA 0.389 4.118 4.460 -1.218 0.000 0.285 668 C C 1.888 176.840 174.990 -0.064 0.000 1.257 668 C CA -0.407 58.590 59.018 -0.035 0.000 1.691 668 C CB -0.294 27.439 27.740 -0.011 0.000 2.089 668 C HN 0.531 nan 8.230 nan 0.000 0.630 669 R N -0.143 120.288 120.500 -0.115 0.000 2.555 669 R HA 0.246 3.855 4.340 -1.218 0.000 0.312 669 R C 1.232 177.416 176.300 -0.192 0.000 0.938 669 R CA 0.864 56.876 56.100 -0.147 0.000 1.112 669 R CB 0.516 30.706 30.300 -0.183 0.000 1.535 669 R HN 0.364 nan 8.270 nan 0.000 0.525 670 G N 0.308 108.983 108.800 -0.208 0.000 2.147 670 G HA2 -0.163 3.066 3.960 -1.218 0.000 0.244 670 G HA3 -0.163 3.066 3.960 -1.218 0.000 0.244 670 G C 0.137 174.778 174.900 -0.431 0.000 1.005 670 G CA 0.252 45.209 45.100 -0.237 0.000 0.713 670 G HN 0.812 nan 8.290 nan 0.000 0.515 671 G N -2.501 105.850 108.800 -0.748 0.000 2.356 671 G HA2 0.527 3.756 3.960 -1.218 0.000 0.300 671 G HA3 0.527 3.756 3.960 -1.218 0.000 0.300 671 G C -0.752 173.701 174.900 -0.745 0.000 1.331 671 G CA 0.442 44.850 45.100 -1.153 0.000 0.905 671 G HN 1.956 nan 8.290 nan 0.000 0.587 672 C N 2.294 121.312 119.300 -0.469 0.000 3.044 672 C HA 0.628 4.357 4.460 -1.218 0.000 0.382 672 C C -2.497 172.411 174.990 -0.136 0.000 1.071 672 C CA -1.032 57.854 59.018 -0.220 0.000 1.296 672 C CB 0.687 28.318 27.740 -0.182 0.000 1.730 672 C HN 0.749 nan 8.230 nan 0.000 0.513 673 P HA 0.382 nan 4.420 nan 0.000 0.265 673 P C -0.562 176.619 177.300 -0.199 0.000 1.193 673 P CA 0.694 63.370 63.100 -0.707 0.000 0.765 673 P CB 1.043 32.140 31.700 -1.005 0.000 0.823 674 A N 2.219 124.984 122.820 -0.090 0.000 2.517 674 A HA 0.403 3.992 4.320 -1.218 0.000 0.297 674 A C -1.220 176.407 177.584 0.072 0.000 1.050 674 A CA -0.555 51.531 52.037 0.082 0.000 0.694 674 A CB 1.286 20.470 19.000 0.306 0.000 1.277 674 A HN 0.455 nan 8.150 nan 0.000 0.400 675 D N 1.939 122.372 120.400 0.055 0.000 2.467 675 D HA 0.176 4.085 4.640 -1.218 0.000 0.220 675 D C 0.822 177.245 176.300 0.206 0.000 1.103 675 D CA -0.536 53.532 54.000 0.114 0.000 0.886 675 D CB 0.230 41.052 40.800 0.036 0.000 1.025 675 D HN 0.562 nan 8.370 nan 0.000 0.514 676 W N 3.750 125.077 121.300 0.045 0.000 2.305 676 W HA -0.299 3.630 4.660 -1.218 0.000 0.308 676 W C 1.692 178.242 176.519 0.051 0.000 1.226 676 W CA 1.415 58.777 57.345 0.029 0.000 1.253 676 W CB -0.015 29.443 29.460 -0.003 0.000 1.146 676 W HN 0.317 nan 8.180 nan 0.000 0.507 677 V N -0.669 119.543 119.914 0.496 0.000 2.469 677 V HA -0.315 3.074 4.120 -1.218 0.000 0.251 677 V C 1.514 177.736 176.094 0.213 0.000 1.064 677 V CA 2.077 64.611 62.300 0.391 0.000 1.066 677 V CB -0.885 31.169 31.823 0.385 0.000 0.667 677 V HN 0.319 nan 8.190 nan 0.000 0.461 678 W N -1.424 119.865 121.300 -0.019 0.000 2.683 678 W HA 0.238 4.166 4.660 -1.220 0.000 0.267 678 W C 2.172 178.586 176.519 -0.175 0.000 1.243 678 W CA -0.060 57.242 57.345 -0.073 0.000 1.380 678 W CB -0.057 29.381 29.460 -0.035 0.000 1.063 678 W HN 0.074 nan 8.180 nan 0.000 0.599 679 I N 0.007 120.546 120.570 -0.051 0.000 2.252 679 I HA -0.099 3.339 4.170 -1.218 0.000 0.245 679 I C 0.682 176.598 176.117 -0.335 0.000 1.102 679 I CA 0.864 62.001 61.300 -0.272 0.000 1.385 679 I CB -1.629 36.120 38.000 -0.418 0.000 1.064 679 I HN -0.416 nan 8.210 nan 0.000 0.414 680 V N 3.955 123.576 119.914 -0.487 0.000 2.485 680 V HA 0.059 3.448 4.120 -1.218 0.000 0.287 680 V C -1.919 173.989 176.094 -0.309 0.000 1.022 680 V CA -0.992 61.008 62.300 -0.499 0.000 1.067 680 V CB -0.142 31.148 31.823 -0.889 0.000 0.967 680 V HN 0.134 nan 8.190 nan 0.000 0.479 681 P HA 0.102 nan 4.420 nan 0.000 0.268 681 P C -1.769 175.386 177.300 -0.241 0.000 1.208 681 P CA -1.051 61.909 63.100 -0.233 0.000 0.777 681 P CB 0.051 31.606 31.700 -0.241 0.000 0.875 682 P HA -0.032 nan 4.420 nan 0.000 0.239 682 P C 0.009 177.187 177.300 -0.205 0.000 1.184 682 P CA 1.239 64.212 63.100 -0.212 0.000 0.760 682 P CB -0.026 31.547 31.700 -0.212 0.000 0.884 683 M N -4.923 114.515 119.600 -0.270 0.000 2.575 683 M HA 0.494 4.243 4.480 -1.218 0.000 0.284 683 M C -0.283 175.875 176.300 -0.237 0.000 1.253 683 M CA -0.637 54.517 55.300 -0.243 0.000 0.861 683 M CB 1.938 34.373 32.600 -0.274 0.000 1.733 683 M HN -0.370 nan 8.290 nan 0.000 0.462 684 S N 0.527 116.151 115.700 -0.127 0.000 3.477 684 S HA -0.199 3.540 4.470 -1.218 0.000 0.357 684 S C 1.148 175.708 174.600 -0.067 0.000 1.083 684 S CA 0.968 59.138 58.200 -0.050 0.000 1.042 684 S CB -2.061 61.184 63.200 0.075 0.000 0.911 684 S HN 1.228 nan 8.310 nan 0.000 0.490 685 G N 2.385 111.120 108.800 -0.108 0.000 2.732 685 G HA2 -0.387 2.842 3.960 -1.218 0.000 0.222 685 G HA3 -0.387 2.842 3.960 -1.218 0.000 0.222 685 G C 1.471 176.268 174.900 -0.172 0.000 1.203 685 G CA 1.802 46.852 45.100 -0.082 0.000 0.780 685 G HN 1.351 nan 8.290 nan 0.000 0.621 686 S N 0.731 116.057 115.700 -0.623 0.000 2.555 686 S HA 0.035 3.774 4.470 -1.218 0.000 0.230 686 S C 2.109 176.672 174.600 -0.061 0.000 0.978 686 S CA 1.070 58.741 58.200 -0.881 0.000 0.934 686 S CB -0.424 61.997 63.200 -1.298 0.000 0.766 686 S HN 0.819 nan 8.310 nan 0.000 0.533 687 I N 0.424 121.005 120.570 0.018 0.000 3.883 687 I HA 0.248 3.686 4.170 -1.218 0.000 0.326 687 I C 0.358 176.613 176.117 0.230 0.000 1.283 687 I CA -0.316 61.069 61.300 0.142 0.000 1.161 687 I CB -0.512 37.564 38.000 0.128 0.000 1.012 687 I HN 0.197 nan 8.210 nan 0.000 0.421 688 T N -1.370 113.317 114.554 0.222 0.000 2.902 688 T HA 0.444 4.063 4.350 -1.218 0.000 0.283 688 T C -1.536 173.341 174.700 0.295 0.000 1.009 688 T CA -1.897 60.344 62.100 0.236 0.000 1.051 688 T CB 1.635 70.591 68.868 0.146 0.000 0.999 688 T HN -0.071 nan 8.240 nan 0.000 0.474 689 P HA -0.060 nan 4.420 nan 0.000 0.223 689 P C 1.743 179.247 177.300 0.340 0.000 1.151 689 P CA 0.766 64.061 63.100 0.324 0.000 0.787 689 P CB -0.296 31.535 31.700 0.218 0.000 0.788 690 V N -3.742 116.313 119.914 0.236 0.000 2.759 690 V HA -0.177 3.212 4.120 -1.218 0.000 0.256 690 V C 2.360 178.523 176.094 0.114 0.000 1.080 690 V CA 1.089 63.488 62.300 0.164 0.000 1.101 690 V CB -2.245 29.594 31.823 0.026 0.000 0.698 690 V HN -0.100 nan 8.190 nan 0.000 0.477 691 F N 1.710 121.642 119.950 -0.030 0.000 2.161 691 F HA -0.153 3.642 4.527 -1.219 0.000 0.300 691 F C 2.391 178.302 175.800 0.185 0.000 1.089 691 F CA 2.118 60.101 58.000 -0.029 0.000 1.282 691 F CB -0.236 38.650 39.000 -0.189 0.000 1.010 691 F HN 0.270 nan 8.300 nan 0.000 0.485 692 H N -0.902 118.481 119.070 0.521 0.000 2.539 692 H HA 0.111 3.936 4.556 -1.218 0.000 0.269 692 H C 0.217 175.779 175.328 0.390 0.000 0.980 692 H CA 0.147 56.465 56.048 0.450 0.000 1.152 692 H CB -0.098 29.921 29.762 0.428 0.000 1.407 692 H HN 0.251 nan 8.280 nan 0.000 0.564 693 Q N 2.000 122.064 119.800 0.439 0.000 2.340 693 Q HA 0.147 3.755 4.340 -1.218 0.000 0.259 693 Q C -0.533 175.692 176.000 0.374 0.000 0.964 693 Q CA -0.367 55.647 55.803 0.351 0.000 0.900 693 Q CB 0.670 29.585 28.738 0.294 0.000 1.228 693 Q HN 0.223 nan 8.270 nan 0.000 0.449 694 E N 3.403 123.768 120.200 0.276 0.000 2.392 694 E HA 0.202 3.821 4.350 -1.218 0.000 0.264 694 E C -0.540 176.187 176.600 0.212 0.000 1.024 694 E CA 0.407 56.929 56.400 0.204 0.000 0.903 694 E CB 0.731 30.534 29.700 0.172 0.000 0.963 694 E HN 0.605 nan 8.360 nan 0.000 0.432 695 M N 2.603 122.335 119.600 0.219 0.000 2.501 695 M HA 0.374 4.123 4.480 -1.218 0.000 0.293 695 M C -1.170 175.239 176.300 0.182 0.000 1.192 695 M CA -0.611 54.835 55.300 0.244 0.000 0.886 695 M CB 1.794 34.594 32.600 0.334 0.000 1.710 695 M HN 0.232 nan 8.290 nan 0.000 0.457 696 L N 2.086 123.428 121.223 0.199 0.000 2.313 696 L HA 0.505 4.114 4.340 -1.218 0.000 0.283 696 L C -0.458 176.484 176.870 0.120 0.000 1.013 696 L CA -0.380 54.576 54.840 0.193 0.000 0.816 696 L CB 1.499 43.726 42.059 0.281 0.000 1.236 696 L HN 0.702 nan 8.230 nan 0.000 0.419 697 N N 3.024 121.784 118.700 0.101 0.000 2.408 697 N HA 0.554 4.563 4.740 -1.218 0.000 0.280 697 N C -1.684 173.885 175.510 0.097 0.000 1.002 697 N CA -0.419 52.620 53.050 -0.019 0.000 0.907 697 N CB 1.265 39.766 38.487 0.025 0.000 1.161 697 N HN 0.469 nan 8.380 nan 0.000 0.488 698 Y N -0.106 120.213 120.300 0.032 0.000 2.656 698 Y HA 0.473 4.292 4.550 -1.218 0.000 0.334 698 Y C -1.260 174.644 175.900 0.008 0.000 1.179 698 Y CA -1.376 56.739 58.100 0.025 0.000 1.050 698 Y CB 0.774 39.260 38.460 0.044 0.000 1.308 698 Y HN 0.202 nan 8.280 nan 0.000 0.456 699 R N 2.378 122.995 120.500 0.195 0.000 2.255 699 R HA 0.674 4.283 4.340 -1.218 0.000 0.326 699 R C -1.293 175.078 176.300 0.119 0.000 0.986 699 R CA -0.662 55.492 56.100 0.091 0.000 0.847 699 R CB 1.452 31.780 30.300 0.047 0.000 1.111 699 R HN 0.656 nan 8.270 nan 0.000 0.452 700 L N 1.492 122.761 121.223 0.076 0.000 2.322 700 L HA 0.584 4.193 4.340 -1.218 0.000 0.269 700 L C 0.074 176.953 176.870 0.014 0.000 1.012 700 L CA -0.860 54.019 54.840 0.065 0.000 0.815 700 L CB 2.370 44.472 42.059 0.071 0.000 1.295 700 L HN 0.568 nan 8.230 nan 0.000 0.438 701 T N 0.264 114.832 114.554 0.023 0.000 2.908 701 T HA 0.461 4.080 4.350 -1.218 0.000 0.290 701 T C -2.583 172.146 174.700 0.048 0.000 1.034 701 T CA -1.451 60.652 62.100 0.005 0.000 1.010 701 T CB 1.961 70.838 68.868 0.014 0.000 1.068 701 T HN 0.264 nan 8.240 nan 0.000 0.481 702 P HA 0.312 nan 4.420 nan 0.000 0.270 702 P C -0.649 176.553 177.300 -0.163 0.000 1.223 702 P CA -0.223 62.817 63.100 -0.100 0.000 0.785 702 P CB 0.501 32.114 31.700 -0.145 0.000 0.923 703 S N 0.155 115.708 115.700 -0.245 0.000 2.625 703 S HA 0.670 4.409 4.470 -1.218 0.000 0.271 703 S C -1.449 172.907 174.600 -0.407 0.000 1.161 703 S CA -0.806 57.235 58.200 -0.265 0.000 0.820 703 S CB 0.754 63.880 63.200 -0.123 0.000 1.137 703 S HN 0.127 nan 8.310 nan 0.000 0.470 704 F N 1.179 121.054 119.950 -0.126 0.000 2.436 704 F HA 0.641 4.436 4.527 -1.220 0.000 0.340 704 F C 0.692 176.382 175.800 -0.183 0.000 1.113 704 F CA -0.331 57.590 58.000 -0.132 0.000 1.022 704 F CB 1.631 40.529 39.000 -0.170 0.000 1.128 704 F HN 0.503 nan 8.300 nan 0.000 0.466 705 E N 2.125 122.338 120.200 0.021 0.000 2.336 705 E HA 0.298 3.916 4.350 -1.218 0.000 0.267 705 E C -1.241 175.312 176.600 -0.077 0.000 0.906 705 E CA -0.883 55.470 56.400 -0.079 0.000 0.781 705 E CB 2.088 31.780 29.700 -0.013 0.000 1.261 705 E HN 0.477 nan 8.360 nan 0.000 0.436 706 Y N 0.852 121.162 120.300 0.016 0.000 2.298 706 Y HA 0.184 4.002 4.550 -1.220 0.000 0.329 706 Y C 1.036 176.924 175.900 -0.020 0.000 1.293 706 Y CA -0.043 58.053 58.100 -0.006 0.000 1.388 706 Y CB 0.985 39.430 38.460 -0.025 0.000 1.309 706 Y HN 0.296 nan 8.280 nan 0.000 0.544 707 Q N 0.532 120.415 119.800 0.138 0.000 2.435 707 Q HA 0.503 4.112 4.340 -1.218 0.000 0.282 707 Q C -3.177 172.779 176.000 -0.073 0.000 1.020 707 Q CA -2.328 53.487 55.803 0.019 0.000 0.820 707 Q CB 1.712 30.452 28.738 0.004 0.000 1.436 707 Q HN 0.307 nan 8.270 nan 0.000 0.395 708 P HA 0.065 nan 4.420 nan 0.000 0.267 708 P C -0.981 176.086 177.300 -0.389 0.000 1.200 708 P CA 0.087 63.051 63.100 -0.225 0.000 0.772 708 P CB 0.365 31.953 31.700 -0.186 0.000 0.855 709 D N 4.202 124.236 120.400 -0.610 0.000 2.450 709 D HA -0.029 3.880 4.640 -1.218 0.000 0.247 709 D C -0.986 174.676 176.300 -1.063 0.000 1.162 709 D CA -1.003 52.336 54.000 -1.102 0.000 0.879 709 D CB 0.449 40.046 40.800 -2.004 0.000 1.163 709 D HN 0.278 nan 8.370 nan 0.000 0.472 710 P HA -0.188 nan 4.420 nan 0.000 0.217 710 P C 1.412 178.271 177.300 -0.736 0.000 1.151 710 P CA 1.407 63.998 63.100 -0.849 0.000 0.849 710 P CB -0.226 30.746 31.700 -1.213 0.000 0.787 711 W N 0.500 121.281 121.300 -0.864 0.000 2.747 711 W HA 0.045 3.972 4.660 -1.223 0.000 0.244 711 W C 0.693 177.218 176.519 0.010 0.000 1.270 711 W CA 0.261 57.435 57.345 -0.286 0.000 1.333 711 W CB -1.825 27.616 29.460 -0.031 0.000 1.139 711 W HN -0.126 nan 8.180 nan 0.000 0.662 712 N N 0.153 118.717 118.700 -0.227 0.000 2.275 712 N HA 0.111 4.119 4.740 -1.218 0.000 0.236 712 N C 0.248 175.725 175.510 -0.055 0.000 1.154 712 N CA 0.708 53.706 53.050 -0.087 0.000 0.866 712 N CB 0.787 39.144 38.487 -0.216 0.000 1.093 712 N HN 0.205 nan 8.380 nan 0.000 0.515 713 T N -2.338 112.203 114.554 -0.022 0.000 3.172 713 T HA -0.025 3.594 4.350 -1.218 0.000 0.261 713 T C -0.052 174.701 174.700 0.087 0.000 0.854 713 T CA -0.294 61.810 62.100 0.005 0.000 0.848 713 T CB 0.478 69.309 68.868 -0.062 0.000 1.267 713 T HN 0.192 nan 8.240 nan 0.000 0.581 714 H N 3.840 122.909 119.070 -0.002 0.000 2.975 714 H HA 0.378 4.204 4.556 -1.216 0.000 0.303 714 H C 0.043 175.359 175.328 -0.020 0.000 1.023 714 H CA -0.421 55.599 56.048 -0.047 0.000 1.473 714 H CB 0.407 30.118 29.762 -0.084 0.000 1.498 714 H HN 0.114 nan 8.280 nan 0.000 0.549 715 V N 4.377 124.084 119.914 -0.345 0.000 2.284 715 V HA 0.232 3.621 4.120 -1.218 0.000 0.260 715 V C -0.018 175.760 176.094 -0.526 0.000 1.084 715 V CA -1.180 60.976 62.300 -0.240 0.000 0.894 715 V CB -1.094 30.689 31.823 -0.067 0.000 1.119 715 V HN 0.576 nan 8.190 nan 0.000 0.484 716 W N 0.000 120.982 121.300 -0.530 0.000 2.388 716 W HA 0.000 3.926 4.660 -1.224 0.000 0.303 716 W CA 0.000 57.121 57.345 -0.373 0.000 1.226 716 W CB 0.000 29.371 29.460 -0.149 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535