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 2iuu_1_D DATA FIRST_RESID 315 DATA SEQUENCE LPPLSLLDPA EVKQKSYSPE SLEAMSRLLE IKLKEFGVEV SVDSVHPGPV DATA SEQUENCE ITRFEIQPAA GVKVSRISNL AKDLARSLAV ISVRVVEVIP GKTTVGIEIP DATA SEQUENCE NEDRQMVRFS EVLSSPEYDE HKSTVPLALG HDIGGRPIIT DLAKMPHLLV DATA SEQUENCE AGTTGSGKSV GVNAMLLSIL FKSTPSEARL IMIDPKMLEL SIYEGIPHLL DATA SEQUENCE CPVVTDMKEA ANALRWSVAE MERRYRLMAA MGVRNLAGFN RKVKDAEEAG DATA SEQUENCE TPLTDPLFRR ESPDDEPPQL STLPTIVVVV DEFADMMMIV GKKVEELIAR DATA SEQUENCE IAQKARAAGI HLILATQRPS VDVITGLIKA NIPTRIAFQV SSKIDSRTIL DATA SEQUENCE DQGGAEQLLG HGDMLYLPPG TGLPIRVHGA FVSDDEVHRV VEAWKLRGAP DATA SEQUENCE DYIEDILA 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 315 L HA 0.000 nan 4.340 nan 0.000 0.249 315 L C 0.000 176.731 176.870 -0.232 0.000 1.165 315 L CA 0.000 54.705 54.840 -0.225 0.000 0.813 315 L CB 0.000 42.081 42.059 0.036 0.000 0.961 316 P HA 0.083 nan 4.420 nan 0.000 0.263 316 P C -2.676 174.679 177.300 0.093 0.000 1.168 316 P CA -0.458 62.532 63.100 -0.183 0.000 0.759 316 P CB -0.472 31.042 31.700 -0.310 0.000 0.782 317 P HA 0.177 nan 4.420 nan 0.000 0.284 317 P C 0.927 178.192 177.300 -0.058 0.000 1.253 317 P CA -0.389 62.712 63.100 0.003 0.000 0.800 317 P CB 1.115 32.803 31.700 -0.021 0.000 0.961 318 L N 1.607 122.678 121.223 -0.253 0.000 2.642 318 L HA -0.112 4.228 4.340 -0.000 0.000 0.236 318 L C 1.977 178.713 176.870 -0.222 0.000 1.169 318 L CA 0.836 55.393 54.840 -0.473 0.000 0.851 318 L CB -0.828 40.969 42.059 -0.436 0.000 0.968 318 L HN 0.374 nan 8.230 nan 0.000 0.453 319 S N 0.088 115.726 115.700 -0.103 0.000 2.474 319 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 319 S C 1.807 176.404 174.600 -0.004 0.000 0.997 319 S CA 0.739 58.911 58.200 -0.047 0.000 0.949 319 S CB -0.133 63.050 63.200 -0.028 0.000 0.766 319 S HN 0.395 nan 8.310 nan 0.000 0.517 320 L N 0.799 122.045 121.223 0.038 0.000 2.465 320 L HA 0.140 4.480 4.340 -0.000 0.000 0.224 320 L C 0.358 177.294 176.870 0.110 0.000 1.145 320 L CA 0.451 55.349 54.840 0.097 0.000 0.834 320 L CB -0.341 41.826 42.059 0.180 0.000 0.944 320 L HN 0.223 nan 8.230 nan 0.000 0.451 321 L N -0.024 121.240 121.223 0.069 0.000 2.312 321 L HA 0.200 4.540 4.340 -0.000 0.000 0.281 321 L C -0.090 176.812 176.870 0.052 0.000 1.070 321 L CA -0.832 54.055 54.840 0.077 0.000 0.805 321 L CB 0.681 42.747 42.059 0.011 0.000 1.174 321 L HN -0.011 nan 8.230 nan 0.000 0.434 322 D N 3.201 123.649 120.400 0.081 0.000 2.449 322 D HA 0.099 4.739 4.640 -0.000 0.000 0.236 322 D C -2.156 174.178 176.300 0.056 0.000 1.149 322 D CA -0.593 53.451 54.000 0.072 0.000 0.878 322 D CB 0.365 41.226 40.800 0.102 0.000 1.198 322 D HN 0.238 nan 8.370 nan 0.000 0.446 323 P HA 0.209 nan 4.420 nan 0.000 0.276 323 P C -0.979 176.347 177.300 0.043 0.000 1.244 323 P CA -0.500 62.619 63.100 0.030 0.000 0.801 323 P CB 0.587 32.300 31.700 0.021 0.000 1.006 324 A N 1.958 124.801 122.820 0.039 0.000 2.484 324 A HA 0.072 4.391 4.320 -0.000 0.000 0.268 324 A C 0.266 177.875 177.584 0.041 0.000 1.114 324 A CA -0.045 52.023 52.037 0.051 0.000 0.780 324 A CB -0.824 18.209 19.000 0.054 0.000 1.061 324 A HN 0.520 nan 8.150 nan 0.000 0.505 325 E N 1.495 121.720 120.200 0.042 0.000 2.418 325 E HA 0.174 4.524 4.350 -0.000 0.000 0.261 325 E C -0.179 176.435 176.600 0.023 0.000 1.070 325 E CA -0.481 55.935 56.400 0.026 0.000 0.931 325 E CB 0.508 30.218 29.700 0.017 0.000 0.954 325 E HN 0.442 nan 8.360 nan 0.000 0.439 326 V N 3.234 123.156 119.914 0.014 0.000 2.536 326 V HA -0.158 3.962 4.120 -0.000 0.000 0.287 326 V C 0.731 176.833 176.094 0.013 0.000 0.979 326 V CA 0.667 62.973 62.300 0.011 0.000 1.161 326 V CB -1.202 30.623 31.823 0.003 0.000 0.915 326 V HN 0.596 nan 8.190 nan 0.000 0.467 327 K N 4.386 124.798 120.400 0.021 0.000 2.081 327 K HA 0.098 4.418 4.320 -0.000 0.000 0.230 327 K C 0.327 176.937 176.600 0.017 0.000 1.199 327 K CA 0.112 56.415 56.287 0.027 0.000 1.130 327 K CB -0.070 32.452 32.500 0.038 0.000 1.386 327 K HN 0.689 nan 8.250 nan 0.000 0.280 328 Q N 3.840 123.643 119.800 0.005 0.000 2.815 328 Q HA -0.032 4.308 4.340 -0.000 0.000 0.235 328 Q C 0.085 176.073 176.000 -0.020 0.000 1.354 328 Q CA -0.344 55.451 55.803 -0.014 0.000 0.953 328 Q CB 0.316 29.039 28.738 -0.026 0.000 1.613 328 Q HN 0.607 nan 8.270 nan 0.000 0.572 329 K N 0.097 120.500 120.400 0.004 0.000 3.908 329 K HA 0.338 4.658 4.320 -0.000 0.000 0.232 329 K C -0.386 176.202 176.600 -0.021 0.000 1.059 329 K CA 0.571 56.883 56.287 0.042 0.000 1.818 329 K CB -0.870 31.699 32.500 0.114 0.000 2.817 329 K HN 0.508 nan 8.250 nan 0.000 0.754 330 S N -0.720 115.040 115.700 0.100 0.000 3.162 330 S HA -0.187 4.283 4.470 -0.000 0.000 0.840 330 S C -1.151 173.448 174.600 -0.002 0.000 0.985 330 S CA 0.134 58.389 58.200 0.092 0.000 1.295 330 S CB -2.513 60.698 63.200 0.018 0.000 1.006 330 S HN 0.419 nan 8.310 nan 0.000 0.370 331 Y N 2.557 122.854 120.300 -0.004 0.000 2.356 331 Y HA 0.537 5.087 4.550 -0.000 0.000 0.334 331 Y C 1.081 176.980 175.900 -0.001 0.000 0.958 331 Y CA -0.451 57.651 58.100 0.003 0.000 1.196 331 Y CB 1.593 40.057 38.460 0.007 0.000 1.137 331 Y HN 1.020 nan 8.280 nan 0.000 0.485 332 S N 3.392 119.137 115.700 0.075 0.000 2.599 332 S HA -0.043 4.426 4.470 -0.000 0.000 0.303 332 S C -1.869 172.772 174.600 0.068 0.000 1.267 332 S CA -0.862 57.369 58.200 0.052 0.000 1.055 332 S CB 0.802 64.017 63.200 0.025 0.000 0.790 332 S HN 0.485 nan 8.310 nan 0.000 0.500 333 P HA -0.219 nan 4.420 nan 0.000 0.218 333 P C 1.325 178.649 177.300 0.040 0.000 1.146 333 P CA 1.871 64.991 63.100 0.033 0.000 0.820 333 P CB -0.061 31.649 31.700 0.017 0.000 0.778 334 E N -1.449 118.776 120.200 0.042 0.000 2.076 334 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 334 E C 1.900 178.539 176.600 0.064 0.000 0.979 334 E CA 0.997 57.423 56.400 0.044 0.000 0.807 334 E CB -1.010 28.710 29.700 0.032 0.000 0.761 334 E HN 0.080 nan 8.360 nan 0.000 0.454 335 S N 1.471 117.219 115.700 0.081 0.000 2.353 335 S HA -0.104 4.365 4.470 -0.000 0.000 0.222 335 S C 2.036 176.725 174.600 0.148 0.000 1.035 335 S CA 1.132 59.401 58.200 0.116 0.000 1.025 335 S CB -0.348 62.943 63.200 0.150 0.000 0.902 335 S HN 0.205 nan 8.310 nan 0.000 0.440 336 L N 1.242 122.552 121.223 0.146 0.000 2.042 336 L HA -0.126 4.213 4.340 -0.000 0.000 0.210 336 L C 2.738 179.703 176.870 0.158 0.000 1.076 336 L CA 1.314 56.238 54.840 0.140 0.000 0.749 336 L CB -0.515 41.565 42.059 0.035 0.000 0.893 336 L HN 0.355 nan 8.230 nan 0.000 0.432 337 E N 0.158 120.419 120.200 0.102 0.000 2.204 337 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 337 E C 2.127 178.782 176.600 0.091 0.000 0.989 337 E CA 1.038 57.491 56.400 0.089 0.000 0.824 337 E CB 0.194 29.927 29.700 0.054 0.000 0.756 337 E HN 0.471 nan 8.360 nan 0.000 0.477 338 A N 0.893 123.767 122.820 0.089 0.000 1.854 338 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 338 A C 2.095 179.719 177.584 0.067 0.000 1.192 338 A CA 1.469 53.547 52.037 0.068 0.000 0.611 338 A CB -0.462 18.575 19.000 0.063 0.000 0.832 338 A HN 0.260 nan 8.150 nan 0.000 0.442 339 M N 0.480 120.144 119.600 0.107 0.000 2.149 339 M HA -0.101 4.378 4.480 -0.000 0.000 0.261 339 M C 2.121 178.409 176.300 -0.021 0.000 1.064 339 M CA 2.080 57.415 55.300 0.058 0.000 1.102 339 M CB -0.733 31.971 32.600 0.173 0.000 1.369 339 M HN 0.320 nan 8.290 nan 0.000 0.408 340 S N -0.005 115.782 115.700 0.146 0.000 2.365 340 S HA -0.171 4.298 4.470 -0.000 0.000 0.225 340 S C 1.934 176.548 174.600 0.024 0.000 1.039 340 S CA 1.524 59.804 58.200 0.133 0.000 1.033 340 S CB -0.325 63.000 63.200 0.209 0.000 0.887 340 S HN 0.418 nan 8.310 nan 0.000 0.447 341 R N 1.062 121.579 120.500 0.029 0.000 2.090 341 R HA 0.205 4.545 4.340 -0.000 0.000 0.228 341 R C 2.163 178.454 176.300 -0.016 0.000 1.110 341 R CA 0.612 56.718 56.100 0.010 0.000 0.973 341 R CB -0.999 29.311 30.300 0.017 0.000 0.869 341 R HN 0.356 nan 8.270 nan 0.000 0.440 342 L N -0.026 121.180 121.223 -0.029 0.000 2.017 342 L HA -0.186 4.153 4.340 -0.000 0.000 0.208 342 L C 2.125 178.955 176.870 -0.068 0.000 1.073 342 L CA 1.467 56.281 54.840 -0.044 0.000 0.745 342 L CB -0.383 41.648 42.059 -0.047 0.000 0.894 342 L HN 0.268 nan 8.230 nan 0.000 0.432 343 L N -0.114 121.032 121.223 -0.129 0.000 1.971 343 L HA -0.328 4.012 4.340 -0.000 0.000 0.215 343 L C 2.527 179.361 176.870 -0.060 0.000 1.072 343 L CA 1.864 56.614 54.840 -0.150 0.000 0.758 343 L CB -0.304 41.578 42.059 -0.295 0.000 0.889 343 L HN 0.367 nan 8.230 nan 0.000 0.433 344 E N -0.216 119.960 120.200 -0.040 0.000 2.049 344 E HA -0.294 4.056 4.350 -0.000 0.000 0.198 344 E C 2.132 178.729 176.600 -0.005 0.000 1.007 344 E CA 1.672 58.068 56.400 -0.007 0.000 0.809 344 E CB -0.103 29.599 29.700 0.004 0.000 0.749 344 E HN 0.425 nan 8.360 nan 0.000 0.450 345 I N 1.428 121.988 120.570 -0.017 0.000 2.127 345 I HA -0.269 3.900 4.170 -0.000 0.000 0.241 345 I C 2.157 178.252 176.117 -0.037 0.000 1.075 345 I CA 1.468 62.752 61.300 -0.026 0.000 1.334 345 I CB -1.054 36.927 38.000 -0.033 0.000 1.040 345 I HN 0.064 nan 8.210 nan 0.000 0.405 346 K N 0.681 121.066 120.400 -0.025 0.000 2.063 346 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 346 K C 2.250 178.904 176.600 0.090 0.000 1.048 346 K CA 1.072 57.352 56.287 -0.012 0.000 0.928 346 K CB -0.730 31.799 32.500 0.048 0.000 0.713 346 K HN 0.347 nan 8.250 nan 0.000 0.442 347 L N 0.998 122.294 121.223 0.122 0.000 2.083 347 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 347 L C 2.624 179.577 176.870 0.138 0.000 1.083 347 L CA 1.047 55.997 54.840 0.184 0.000 0.752 347 L CB -0.290 41.825 42.059 0.092 0.000 0.899 347 L HN 0.103 nan 8.230 nan 0.000 0.433 348 K N 0.580 121.009 120.400 0.048 0.000 2.057 348 K HA -0.172 4.147 4.320 -0.000 0.000 0.206 348 K C 1.860 178.443 176.600 -0.028 0.000 1.050 348 K CA 1.402 57.698 56.287 0.015 0.000 0.935 348 K CB -0.040 32.456 32.500 -0.006 0.000 0.715 348 K HN 0.393 nan 8.250 nan 0.000 0.439 349 E N -0.763 119.366 120.200 -0.117 0.000 2.160 349 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 349 E C 0.656 177.073 176.600 -0.305 0.000 0.991 349 E CA 0.843 57.086 56.400 -0.262 0.000 0.810 349 E CB -0.043 29.401 29.700 -0.427 0.000 0.742 349 E HN 0.135 nan 8.360 nan 0.000 0.466 350 F N -0.724 119.221 119.950 -0.008 0.000 2.272 350 F HA 0.256 4.783 4.527 -0.000 0.000 0.316 350 F C 2.025 177.823 175.800 -0.005 0.000 1.068 350 F CA -0.321 57.675 58.000 -0.006 0.000 1.114 350 F CB -0.086 38.910 39.000 -0.007 0.000 1.611 350 F HN -0.143 nan 8.300 nan 0.000 0.519 351 G N 0.070 109.009 108.800 0.232 0.000 2.514 351 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.217 351 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.217 351 G C 0.514 175.465 174.900 0.085 0.000 1.198 351 G CA 1.000 46.169 45.100 0.115 0.000 0.780 351 G HN 0.521 nan 8.290 nan 0.000 0.565 352 V N -0.854 119.113 119.914 0.090 0.000 2.740 352 V HA 0.425 4.545 4.120 -0.000 0.000 0.303 352 V C -0.205 175.921 176.094 0.054 0.000 1.054 352 V CA -0.674 61.663 62.300 0.062 0.000 1.106 352 V CB 1.510 33.364 31.823 0.052 0.000 0.957 352 V HN 0.340 nan 8.190 nan 0.000 0.486 353 E N 3.738 123.961 120.200 0.038 0.000 2.129 353 E HA 0.625 4.975 4.350 -0.000 0.000 0.268 353 E C -1.470 175.147 176.600 0.029 0.000 0.900 353 E CA -0.483 55.935 56.400 0.030 0.000 0.755 353 E CB 1.935 31.648 29.700 0.023 0.000 1.117 353 E HN 0.804 nan 8.360 nan 0.000 0.410 354 V N 2.954 122.886 119.914 0.030 0.000 3.181 354 V HA 0.664 4.783 4.120 -0.000 0.000 0.308 354 V C -1.513 174.600 176.094 0.032 0.000 1.214 354 V CA -0.337 61.982 62.300 0.032 0.000 1.053 354 V CB 2.577 34.421 31.823 0.035 0.000 1.069 354 V HN 0.772 nan 8.190 nan 0.000 0.441 355 S N 1.816 117.539 115.700 0.038 0.000 2.575 355 S HA 0.681 5.151 4.470 -0.000 0.000 0.278 355 S C -1.024 173.611 174.600 0.058 0.000 1.139 355 S CA -0.656 57.569 58.200 0.041 0.000 0.954 355 S CB 1.360 64.581 63.200 0.034 0.000 1.054 355 S HN 0.909 nan 8.310 nan 0.000 0.483 356 V N 2.943 122.902 119.914 0.074 0.000 2.599 356 V HA 0.086 4.206 4.120 -0.000 0.000 0.300 356 V C 1.090 177.232 176.094 0.080 0.000 1.034 356 V CA 0.650 63.016 62.300 0.110 0.000 1.115 356 V CB 0.691 32.611 31.823 0.161 0.000 0.934 356 V HN 1.138 nan 8.190 nan 0.000 0.485 357 D N 2.046 122.494 120.400 0.080 0.000 2.380 357 D HA 0.115 4.754 4.640 -0.000 0.000 0.212 357 D C 0.478 176.798 176.300 0.033 0.000 1.021 357 D CA 0.928 54.962 54.000 0.056 0.000 0.884 357 D CB 0.509 41.348 40.800 0.065 0.000 1.001 357 D HN 0.765 nan 8.370 nan 0.000 0.506 358 S N -1.414 114.298 115.700 0.021 0.000 2.597 358 S HA 0.497 4.967 4.470 -0.000 0.000 0.274 358 S C -1.393 173.055 174.600 -0.252 0.000 1.132 358 S CA -1.087 57.046 58.200 -0.113 0.000 0.835 358 S CB 1.602 64.751 63.200 -0.085 0.000 1.092 358 S HN -0.114 nan 8.310 nan 0.000 0.457 359 V N 2.582 122.191 119.914 -0.509 0.000 2.604 359 V HA 0.588 4.708 4.120 -0.000 0.000 0.305 359 V C -1.021 174.577 176.094 -0.827 0.000 1.043 359 V CA -0.510 61.403 62.300 -0.645 0.000 0.888 359 V CB 1.738 33.230 31.823 -0.552 0.000 0.995 359 V HN 1.016 nan 8.190 nan 0.000 0.429 360 H N 4.553 123.423 119.070 -0.333 0.000 2.854 360 H HA 0.323 4.878 4.556 -0.000 0.000 0.275 360 H C -2.710 172.474 175.328 -0.241 0.000 1.198 360 H CA -1.553 54.367 56.048 -0.213 0.000 1.489 360 H CB 1.945 31.628 29.762 -0.131 0.000 1.519 360 H HN 0.443 nan 8.280 nan 0.000 0.503 361 P HA 0.274 nan 4.420 nan 0.000 0.274 361 P C 0.301 177.537 177.300 -0.107 0.000 1.231 361 P CA -0.052 62.912 63.100 -0.227 0.000 0.790 361 P CB 2.112 33.637 31.700 -0.292 0.000 0.951 362 G N 1.010 109.746 108.800 -0.107 0.000 2.827 362 G HA2 0.496 4.456 3.960 -0.000 0.000 0.296 362 G HA3 0.496 4.456 3.960 -0.000 0.000 0.296 362 G C -2.431 172.453 174.900 -0.027 0.000 1.362 362 G CA -1.104 43.982 45.100 -0.024 0.000 0.809 362 G HN 0.096 nan 8.290 nan 0.000 0.522 363 P HA -0.002 nan 4.420 nan 0.000 0.215 363 P C 1.560 178.802 177.300 -0.097 0.000 1.157 363 P CA 0.945 64.040 63.100 -0.008 0.000 0.863 363 P CB 0.265 31.996 31.700 0.053 0.000 0.787 364 V N -1.041 118.695 119.914 -0.296 0.000 3.048 364 V HA 0.140 4.259 4.120 -0.000 0.000 0.241 364 V C 1.226 177.227 176.094 -0.155 0.000 1.129 364 V CA 0.603 62.703 62.300 -0.332 0.000 1.128 364 V CB -0.086 31.275 31.823 -0.770 0.000 0.849 364 V HN 0.027 nan 8.190 nan 0.000 0.475 365 I N -1.614 118.896 120.570 -0.101 0.000 3.239 365 I HA 0.651 4.820 4.170 -0.000 0.000 0.314 365 I C -1.056 175.052 176.117 -0.013 0.000 1.126 365 I CA -0.403 60.903 61.300 0.010 0.000 0.973 365 I CB 1.804 39.868 38.000 0.107 0.000 1.252 365 I HN -0.012 nan 8.210 nan 0.000 0.463 366 T N 3.108 117.669 114.554 0.011 0.000 2.841 366 T HA 0.451 4.801 4.350 -0.000 0.000 0.285 366 T C -0.406 174.294 174.700 0.001 0.000 0.991 366 T CA -0.479 61.567 62.100 -0.090 0.000 0.966 366 T CB 1.507 70.236 68.868 -0.231 0.000 0.962 366 T HN 0.704 nan 8.240 nan 0.000 0.438 367 R N 2.743 123.212 120.500 -0.051 0.000 2.265 367 R HA 0.489 4.829 4.340 -0.000 0.000 0.319 367 R C -1.411 174.864 176.300 -0.043 0.000 1.006 367 R CA -0.458 55.682 56.100 0.067 0.000 0.880 367 R CB 0.338 30.681 30.300 0.072 0.000 1.077 367 R HN 0.429 nan 8.270 nan 0.000 0.454 368 F N 3.224 123.227 119.950 0.090 0.000 2.347 368 F HA 0.272 4.799 4.527 -0.000 0.000 0.366 368 F C 0.073 175.926 175.800 0.089 0.000 1.107 368 F CA -0.670 57.375 58.000 0.076 0.000 1.058 368 F CB 1.593 40.615 39.000 0.037 0.000 1.236 368 F HN 0.417 nan 8.300 nan 0.000 0.456 369 E N 5.328 125.668 120.200 0.235 0.000 2.166 369 E HA 0.198 4.548 4.350 -0.000 0.000 0.279 369 E C -0.047 176.644 176.600 0.151 0.000 1.095 369 E CA -0.246 56.260 56.400 0.176 0.000 0.888 369 E CB 0.954 30.760 29.700 0.177 0.000 1.041 369 E HN 0.427 nan 8.360 nan 0.000 0.414 370 I N 0.306 120.952 120.570 0.127 0.000 2.607 370 I HA 0.400 4.569 4.170 -0.000 0.000 0.305 370 I C -0.584 175.575 176.117 0.069 0.000 0.995 370 I CA -1.174 60.185 61.300 0.099 0.000 1.148 370 I CB 1.631 39.684 38.000 0.088 0.000 1.323 370 I HN 0.334 nan 8.210 nan 0.000 0.461 371 Q N 6.036 125.870 119.800 0.057 0.000 2.400 371 Q HA 0.589 4.928 4.340 -0.000 0.000 0.255 371 Q C -2.694 173.328 176.000 0.037 0.000 1.008 371 Q CA -1.910 53.919 55.803 0.044 0.000 0.841 371 Q CB 1.408 30.170 28.738 0.039 0.000 1.220 371 Q HN 0.452 nan 8.270 nan 0.000 0.474 372 P HA 0.133 nan 4.420 nan 0.000 0.268 372 P C -0.955 176.360 177.300 0.024 0.000 1.205 372 P CA 0.014 63.131 63.100 0.028 0.000 0.771 372 P CB 0.851 32.566 31.700 0.025 0.000 0.858 373 A N 3.086 125.919 122.820 0.023 0.000 2.409 373 A HA 0.459 4.779 4.320 -0.000 0.000 0.246 373 A C 0.434 178.029 177.584 0.017 0.000 1.099 373 A CA 0.078 52.127 52.037 0.020 0.000 0.789 373 A CB -0.556 18.456 19.000 0.019 0.000 1.053 373 A HN 0.595 nan 8.150 nan 0.000 0.503 374 A N -0.726 122.103 122.820 0.015 0.000 2.520 374 A HA 0.472 4.792 4.320 -0.000 0.000 0.245 374 A C 1.651 179.243 177.584 0.013 0.000 1.072 374 A CA 0.847 52.892 52.037 0.013 0.000 0.761 374 A CB -0.995 18.012 19.000 0.012 0.000 1.004 374 A HN 2.744 nan 8.150 nan 0.000 0.499 375 G N 0.601 109.408 108.800 0.012 0.000 2.205 375 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.261 375 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.261 375 G C 0.635 175.542 174.900 0.012 0.000 0.980 375 G CA 0.687 45.793 45.100 0.011 0.000 0.632 375 G HN 2.311 nan 8.290 nan 0.000 0.533 376 V N 0.825 120.747 119.914 0.014 0.000 2.530 376 V HA 0.656 4.776 4.120 -0.000 0.000 0.282 376 V C 0.400 176.502 176.094 0.013 0.000 1.048 376 V CA -0.597 61.712 62.300 0.015 0.000 0.997 376 V CB 0.964 32.798 31.823 0.019 0.000 0.987 376 V HN 0.283 nan 8.190 nan 0.000 0.477 377 K N 4.588 124.994 120.400 0.010 0.000 2.172 377 K HA 0.380 4.700 4.320 -0.000 0.000 0.276 377 K C 1.060 177.664 176.600 0.006 0.000 1.013 377 K CA -0.454 55.838 56.287 0.008 0.000 0.913 377 K CB 1.874 34.377 32.500 0.005 0.000 1.055 377 K HN 0.629 nan 8.250 nan 0.000 0.461 378 V N 1.302 121.220 119.914 0.006 0.000 2.317 378 V HA -0.345 3.775 4.120 -0.000 0.000 0.251 378 V C 2.422 178.516 176.094 -0.000 0.000 1.065 378 V CA 2.373 64.676 62.300 0.005 0.000 1.049 378 V CB -1.071 30.755 31.823 0.006 0.000 0.651 378 V HN 0.994 nan 8.190 nan 0.000 0.450 379 S N 1.113 116.812 115.700 -0.003 0.000 2.387 379 S HA -0.325 4.145 4.470 -0.000 0.000 0.230 379 S C 2.047 176.639 174.600 -0.014 0.000 1.035 379 S CA 1.956 60.151 58.200 -0.008 0.000 1.014 379 S CB -0.618 62.578 63.200 -0.007 0.000 0.836 379 S HN 0.646 nan 8.310 nan 0.000 0.466 380 R N 0.513 121.008 120.500 -0.009 0.000 2.091 380 R HA 0.007 4.347 4.340 -0.000 0.000 0.238 380 R C 2.307 178.592 176.300 -0.025 0.000 1.136 380 R CA 1.632 57.724 56.100 -0.013 0.000 0.959 380 R CB -0.570 29.730 30.300 0.000 0.000 0.856 380 R HN 0.417 nan 8.270 nan 0.000 0.437 381 I N 0.792 121.353 120.570 -0.015 0.000 2.113 381 I HA -0.216 3.953 4.170 -0.000 0.000 0.238 381 I C 2.231 178.327 176.117 -0.036 0.000 1.070 381 I CA 1.442 62.730 61.300 -0.019 0.000 1.332 381 I CB -1.343 36.657 38.000 -0.001 0.000 1.044 381 I HN 0.067 nan 8.210 nan 0.000 0.402 382 S N 1.115 116.800 115.700 -0.025 0.000 2.365 382 S HA -0.240 4.230 4.470 -0.000 0.000 0.225 382 S C 1.716 176.289 174.600 -0.046 0.000 1.039 382 S CA 1.839 60.022 58.200 -0.027 0.000 1.033 382 S CB -0.794 62.396 63.200 -0.017 0.000 0.887 382 S HN 0.509 nan 8.310 nan 0.000 0.447 383 N N 1.299 119.969 118.700 -0.050 0.000 2.272 383 N HA -0.068 4.671 4.740 -0.000 0.000 0.185 383 N C 0.877 176.324 175.510 -0.105 0.000 1.014 383 N CA 0.897 53.909 53.050 -0.064 0.000 0.870 383 N CB -0.242 38.213 38.487 -0.053 0.000 0.975 383 N HN 0.473 nan 8.380 nan 0.000 0.433 384 L N -3.112 118.025 121.223 -0.144 0.000 3.100 384 L HA 0.644 4.983 4.340 -0.000 0.000 0.259 384 L C 0.826 177.564 176.870 -0.219 0.000 1.316 384 L CA -0.421 54.271 54.840 -0.246 0.000 0.992 384 L CB 0.409 42.207 42.059 -0.434 0.000 1.390 384 L HN -0.166 nan 8.230 nan 0.000 0.550 385 A N 0.628 123.372 122.820 -0.126 0.000 1.970 385 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 385 A C 2.271 179.807 177.584 -0.080 0.000 1.170 385 A CA 1.028 53.016 52.037 -0.083 0.000 0.645 385 A CB -0.023 18.950 19.000 -0.045 0.000 0.816 385 A HN 0.453 nan 8.150 nan 0.000 0.447 386 K N 0.571 120.917 120.400 -0.090 0.000 2.025 386 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 386 K C 1.508 178.062 176.600 -0.077 0.000 1.049 386 K CA 1.821 58.068 56.287 -0.066 0.000 0.933 386 K CB -0.216 32.249 32.500 -0.059 0.000 0.714 386 K HN 0.478 nan 8.250 nan 0.000 0.438 387 D N -0.143 120.163 120.400 -0.157 0.000 2.123 387 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 387 D C 1.833 178.083 176.300 -0.083 0.000 0.976 387 D CA 0.794 54.696 54.000 -0.163 0.000 0.831 387 D CB -0.076 40.475 40.800 -0.415 0.000 0.974 387 D HN 0.060 nan 8.370 nan 0.000 0.469 388 L N 1.559 122.682 121.223 -0.166 0.000 2.042 388 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 388 L C 2.237 179.129 176.870 0.036 0.000 1.076 388 L CA 1.771 56.616 54.840 0.008 0.000 0.749 388 L CB -0.776 41.259 42.059 -0.040 0.000 0.893 388 L HN -0.069 nan 8.230 nan 0.000 0.432 389 A N -0.342 122.478 122.820 -0.001 0.000 1.883 389 A HA -0.283 4.036 4.320 -0.000 0.000 0.217 389 A C 2.562 180.164 177.584 0.030 0.000 1.186 389 A CA 2.007 54.051 52.037 0.012 0.000 0.624 389 A CB -0.699 18.304 19.000 0.005 0.000 0.822 389 A HN 0.540 nan 8.150 nan 0.000 0.444 390 R N 0.227 120.750 120.500 0.038 0.000 2.073 390 R HA -0.140 4.199 4.340 -0.000 0.000 0.234 390 R C 2.477 178.818 176.300 0.068 0.000 1.134 390 R CA 2.059 58.189 56.100 0.050 0.000 0.952 390 R CB -0.370 29.964 30.300 0.055 0.000 0.850 390 R HN 0.636 nan 8.270 nan 0.000 0.433 391 S N 0.170 115.937 115.700 0.112 0.000 2.442 391 S HA -0.096 4.374 4.470 -0.000 0.000 0.236 391 S C 1.748 176.382 174.600 0.057 0.000 1.007 391 S CA 0.983 59.247 58.200 0.107 0.000 0.965 391 S CB -0.192 63.124 63.200 0.194 0.000 0.773 391 S HN 0.412 nan 8.310 nan 0.000 0.504 392 L N 0.625 121.876 121.223 0.046 0.000 2.607 392 L HA 0.414 4.754 4.340 -0.000 0.000 0.228 392 L C 1.489 178.373 176.870 0.023 0.000 1.123 392 L CA 0.233 55.085 54.840 0.019 0.000 0.890 392 L CB -0.523 41.535 42.059 -0.002 0.000 1.103 392 L HN 0.466 nan 8.230 nan 0.000 0.468 393 A N 0.521 123.359 122.820 0.029 0.000 2.832 393 A HA -0.164 4.156 4.320 -0.000 0.000 0.280 393 A C 0.383 177.986 177.584 0.031 0.000 1.464 393 A CA 0.910 52.965 52.037 0.029 0.000 0.804 393 A CB -2.472 16.543 19.000 0.026 0.000 1.020 393 A HN 0.326 nan 8.150 nan 0.000 0.563 394 V N -3.143 116.789 119.914 0.030 0.000 2.715 394 V HA 0.727 4.847 4.120 -0.000 0.000 0.310 394 V C 1.369 177.482 176.094 0.032 0.000 1.054 394 V CA -0.289 62.032 62.300 0.035 0.000 0.928 394 V CB 1.680 33.525 31.823 0.037 0.000 1.007 394 V HN 0.692 nan 8.190 nan 0.000 0.437 395 I N 2.171 122.762 120.570 0.035 0.000 2.335 395 I HA -0.051 4.118 4.170 -0.000 0.000 0.251 395 I C 0.940 177.073 176.117 0.027 0.000 1.129 395 I CA 1.903 63.221 61.300 0.031 0.000 1.402 395 I CB 0.228 38.249 38.000 0.034 0.000 1.069 395 I HN 1.111 nan 8.210 nan 0.000 0.424 396 S N -1.845 113.874 115.700 0.031 0.000 2.615 396 S HA 0.521 4.991 4.470 -0.000 0.000 0.268 396 S C -1.022 173.598 174.600 0.032 0.000 1.146 396 S CA -0.852 57.363 58.200 0.026 0.000 0.818 396 S CB 1.961 65.178 63.200 0.029 0.000 1.111 396 S HN -0.070 nan 8.310 nan 0.000 0.465 397 V N 0.679 120.608 119.914 0.025 0.000 2.888 397 V HA 0.769 4.889 4.120 -0.000 0.000 0.309 397 V C -1.035 175.079 176.094 0.032 0.000 1.114 397 V CA -0.771 61.548 62.300 0.032 0.000 0.940 397 V CB 2.120 33.952 31.823 0.015 0.000 1.021 397 V HN 1.080 nan 8.190 nan 0.000 0.426 398 R N 4.401 124.930 120.500 0.049 0.000 2.310 398 R HA 0.692 5.032 4.340 -0.000 0.000 0.324 398 R C -1.693 174.633 176.300 0.042 0.000 0.955 398 R CA -0.417 55.709 56.100 0.043 0.000 0.830 398 R CB 1.687 32.020 30.300 0.055 0.000 1.154 398 R HN 0.548 nan 8.270 nan 0.000 0.458 399 V N 5.807 125.736 119.914 0.026 0.000 2.385 399 V HA 0.178 4.298 4.120 -0.000 0.000 0.269 399 V C -0.035 176.072 176.094 0.022 0.000 1.043 399 V CA -0.609 61.705 62.300 0.025 0.000 0.906 399 V CB 1.434 33.263 31.823 0.010 0.000 0.995 399 V HN 0.520 nan 8.190 nan 0.000 0.467 400 V N 5.485 125.416 119.914 0.029 0.000 2.304 400 V HA 0.183 4.303 4.120 -0.000 0.000 0.262 400 V C 1.301 177.405 176.094 0.017 0.000 1.061 400 V CA -0.123 62.189 62.300 0.019 0.000 0.872 400 V CB 0.547 32.382 31.823 0.020 0.000 1.077 400 V HN 0.955 nan 8.190 nan 0.000 0.480 401 E N 2.699 122.905 120.200 0.010 0.000 2.267 401 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 401 E C 0.524 177.129 176.600 0.008 0.000 0.998 401 E CA 0.898 57.303 56.400 0.008 0.000 0.830 401 E CB 0.494 30.196 29.700 0.003 0.000 0.751 401 E HN 0.496 nan 8.360 nan 0.000 0.491 402 V N 0.790 120.707 119.914 0.004 0.000 2.668 402 V HA 0.354 4.474 4.120 -0.000 0.000 0.304 402 V C -1.562 174.531 176.094 -0.001 0.000 1.071 402 V CA -0.701 61.601 62.300 0.002 0.000 0.894 402 V CB 1.608 33.430 31.823 -0.001 0.000 1.008 402 V HN -0.038 nan 8.190 nan 0.000 0.425 403 I N 8.022 128.592 120.570 -0.000 0.000 2.405 403 I HA 0.407 4.576 4.170 -0.000 0.000 0.280 403 I C -2.300 173.813 176.117 -0.007 0.000 1.027 403 I CA -1.980 59.315 61.300 -0.008 0.000 1.161 403 I CB 1.947 39.944 38.000 -0.006 0.000 1.300 403 I HN 0.488 nan 8.210 nan 0.000 0.463 404 P HA -0.119 nan 4.420 nan 0.000 0.260 404 P C 1.056 178.353 177.300 -0.005 0.000 1.147 404 P CA 1.303 64.398 63.100 -0.008 0.000 0.758 404 P CB 0.410 32.103 31.700 -0.011 0.000 0.744 405 G N 2.633 111.432 108.800 -0.001 0.000 2.396 405 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.242 405 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.242 405 G C 0.213 175.116 174.900 0.005 0.000 1.069 405 G CA 0.326 45.427 45.100 0.002 0.000 0.633 405 G HN 0.567 nan 8.290 nan 0.000 0.517 406 K N 0.236 120.640 120.400 0.006 0.000 2.109 406 K HA 0.573 4.893 4.320 -0.000 0.000 0.243 406 K C 1.361 177.969 176.600 0.014 0.000 1.006 406 K CA 0.175 56.469 56.287 0.013 0.000 0.917 406 K CB 0.941 33.451 32.500 0.017 0.000 1.081 406 K HN 0.256 nan 8.250 nan 0.000 0.468 407 T N -3.091 111.474 114.554 0.018 0.000 3.145 407 T HA 0.028 4.377 4.350 -0.000 0.000 0.255 407 T C 0.603 175.317 174.700 0.023 0.000 1.039 407 T CA -0.485 61.626 62.100 0.018 0.000 0.928 407 T CB -0.409 68.470 68.868 0.017 0.000 1.029 407 T HN 0.643 nan 8.240 nan 0.000 0.554 408 T N -0.167 114.404 114.554 0.028 0.000 2.881 408 T HA 0.715 5.065 4.350 -0.000 0.000 0.278 408 T C -0.081 174.640 174.700 0.035 0.000 0.982 408 T CA -0.694 61.429 62.100 0.037 0.000 0.989 408 T CB 1.553 70.452 68.868 0.051 0.000 1.058 408 T HN 0.047 nan 8.240 nan 0.000 0.529 409 V N -0.035 119.905 119.914 0.044 0.000 2.919 409 V HA 0.816 4.936 4.120 -0.000 0.000 0.316 409 V C 0.671 176.801 176.094 0.060 0.000 1.077 409 V CA -0.735 61.589 62.300 0.041 0.000 0.977 409 V CB 2.059 33.903 31.823 0.036 0.000 1.039 409 V HN 1.290 nan 8.190 nan 0.000 0.441 410 G N 1.904 110.739 108.800 0.058 0.000 2.495 410 G HA2 0.768 4.727 3.960 -0.000 0.000 0.318 410 G HA3 0.768 4.727 3.960 -0.000 0.000 0.318 410 G C -1.259 173.697 174.900 0.094 0.000 1.257 410 G CA -0.499 44.651 45.100 0.084 0.000 0.962 410 G HN 0.546 nan 8.290 nan 0.000 0.483 411 I N 1.354 122.012 120.570 0.147 0.000 2.439 411 I HA 0.238 4.408 4.170 -0.000 0.000 0.285 411 I C -0.590 175.656 176.117 0.215 0.000 1.021 411 I CA -0.518 60.866 61.300 0.139 0.000 1.091 411 I CB 2.240 40.299 38.000 0.099 0.000 1.242 411 I HN 0.442 nan 8.210 nan 0.000 0.439 412 E N 7.335 127.628 120.200 0.156 0.000 2.046 412 E HA 0.477 4.827 4.350 -0.000 0.000 0.279 412 E C -0.736 175.958 176.600 0.155 0.000 0.989 412 E CA -0.367 56.135 56.400 0.170 0.000 0.798 412 E CB 1.671 31.446 29.700 0.125 0.000 1.086 412 E HN 0.461 nan 8.360 nan 0.000 0.399 413 I N 4.481 125.175 120.570 0.207 0.000 2.392 413 I HA 0.275 4.445 4.170 -0.000 0.000 0.295 413 I C -2.237 173.955 176.117 0.126 0.000 0.985 413 I CA -2.719 58.669 61.300 0.146 0.000 1.221 413 I CB 1.316 39.395 38.000 0.133 0.000 1.366 413 I HN 0.168 nan 8.210 nan 0.000 0.467 414 P HA 0.096 nan 4.420 nan 0.000 0.271 414 P C -0.950 176.396 177.300 0.076 0.000 1.226 414 P CA -0.074 63.071 63.100 0.074 0.000 0.765 414 P CB 0.188 31.929 31.700 0.069 0.000 0.835 415 N N 1.891 120.627 118.700 0.060 0.000 2.479 415 N HA -0.021 4.719 4.740 -0.000 0.000 0.257 415 N C 1.147 176.734 175.510 0.128 0.000 1.232 415 N CA -0.230 52.879 53.050 0.098 0.000 0.920 415 N CB 0.592 39.135 38.487 0.095 0.000 1.105 415 N HN 0.468 nan 8.380 nan 0.000 0.444 416 E N 0.504 120.807 120.200 0.173 0.000 2.085 416 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 416 E C -0.470 176.185 176.600 0.092 0.000 0.994 416 E CA 0.973 57.444 56.400 0.118 0.000 0.801 416 E CB 0.132 29.900 29.700 0.113 0.000 0.743 416 E HN 0.535 nan 8.360 nan 0.000 0.453 417 D N 0.762 121.232 120.400 0.116 0.000 2.461 417 D HA 0.096 4.736 4.640 -0.000 0.000 0.240 417 D C -0.537 175.813 176.300 0.083 0.000 1.094 417 D CA -0.204 53.838 54.000 0.071 0.000 0.868 417 D CB 0.949 41.770 40.800 0.036 0.000 1.062 417 D HN -0.013 nan 8.370 nan 0.000 0.530 418 R N 2.686 123.213 120.500 0.044 0.000 2.370 418 R HA 0.055 4.394 4.340 -0.000 0.000 0.309 418 R C 0.069 176.374 176.300 0.008 0.000 1.059 418 R CA -0.272 55.840 56.100 0.021 0.000 0.981 418 R CB 0.620 30.922 30.300 0.002 0.000 0.972 418 R HN 0.422 nan 8.270 nan 0.000 0.437 419 Q N 5.059 124.872 119.800 0.021 0.000 2.243 419 Q HA 0.206 4.546 4.340 -0.000 0.000 0.252 419 Q C -0.311 175.697 176.000 0.014 0.000 0.909 419 Q CA -0.595 55.221 55.803 0.021 0.000 0.922 419 Q CB 1.673 30.440 28.738 0.049 0.000 1.215 419 Q HN 0.631 nan 8.270 nan 0.000 0.427 420 M N 2.832 122.431 119.600 -0.001 0.000 2.232 420 M HA 0.235 4.715 4.480 -0.000 0.000 0.321 420 M C -1.238 175.104 176.300 0.070 0.000 1.101 420 M CA -0.311 54.991 55.300 0.004 0.000 1.181 420 M CB 0.886 33.453 32.600 -0.056 0.000 1.432 420 M HN 0.636 nan 8.290 nan 0.000 0.457 421 V N 5.132 125.103 119.914 0.096 0.000 2.378 421 V HA 0.464 4.584 4.120 -0.000 0.000 0.288 421 V C -0.337 175.832 176.094 0.124 0.000 1.016 421 V CA -0.919 61.444 62.300 0.104 0.000 0.840 421 V CB 1.240 33.099 31.823 0.060 0.000 0.994 421 V HN 0.775 nan 8.190 nan 0.000 0.431 422 R N 2.847 123.420 120.500 0.123 0.000 2.349 422 R HA 0.340 4.680 4.340 -0.000 0.000 0.299 422 R C 1.025 177.426 176.300 0.169 0.000 1.027 422 R CA -0.708 55.494 56.100 0.171 0.000 0.958 422 R CB 0.521 30.905 30.300 0.140 0.000 1.047 422 R HN 0.764 nan 8.270 nan 0.000 0.468 423 F N 1.821 121.773 119.950 0.003 0.000 2.120 423 F HA -0.353 4.174 4.527 -0.000 0.000 0.300 423 F C 2.177 177.933 175.800 -0.074 0.000 1.095 423 F CA 1.904 59.874 58.000 -0.050 0.000 1.249 423 F CB 0.228 39.210 39.000 -0.031 0.000 0.995 423 F HN 0.616 nan 8.300 nan 0.000 0.480 424 S N -0.575 115.096 115.700 -0.047 0.000 2.400 424 S HA -0.307 4.163 4.470 -0.000 0.000 0.232 424 S C 1.697 176.219 174.600 -0.130 0.000 1.025 424 S CA 1.518 59.608 58.200 -0.183 0.000 0.993 424 S CB -0.695 62.454 63.200 -0.085 0.000 0.808 424 S HN 0.666 nan 8.310 nan 0.000 0.478 425 E N 0.287 120.469 120.200 -0.031 0.000 2.418 425 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 425 E C 1.344 177.972 176.600 0.046 0.000 1.026 425 E CA 0.747 57.171 56.400 0.040 0.000 0.862 425 E CB 0.083 29.848 29.700 0.109 0.000 0.799 425 E HN 0.542 nan 8.360 nan 0.000 0.518 426 V N 0.170 120.040 119.914 -0.073 0.000 2.690 426 V HA -0.067 4.053 4.120 -0.000 0.000 0.240 426 V C 2.015 178.013 176.094 -0.159 0.000 1.078 426 V CA 0.499 62.755 62.300 -0.073 0.000 1.102 426 V CB -0.097 31.673 31.823 -0.089 0.000 0.800 426 V HN 0.270 nan 8.190 nan 0.000 0.479 427 L N 1.472 122.442 121.223 -0.422 0.000 2.456 427 L HA -0.083 4.256 4.340 -0.000 0.000 0.224 427 L C 2.495 179.293 176.870 -0.120 0.000 1.148 427 L CA 1.398 55.910 54.840 -0.547 0.000 0.825 427 L CB -0.614 40.872 42.059 -0.955 0.000 0.937 427 L HN 0.539 nan 8.230 nan 0.000 0.450 428 S N -1.182 114.458 115.700 -0.101 0.000 2.453 428 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 428 S C 1.239 175.862 174.600 0.038 0.000 1.005 428 S CA 0.176 58.360 58.200 -0.027 0.000 0.949 428 S CB -0.485 62.697 63.200 -0.031 0.000 0.774 428 S HN 0.483 nan 8.310 nan 0.000 0.510 429 S N 2.916 118.657 115.700 0.069 0.000 2.566 429 S HA 0.177 4.647 4.470 -0.000 0.000 0.280 429 S C -1.192 173.469 174.600 0.102 0.000 1.343 429 S CA -0.734 57.522 58.200 0.092 0.000 1.036 429 S CB 0.392 63.664 63.200 0.120 0.000 0.866 429 S HN 0.251 nan 8.310 nan 0.000 0.526 430 P HA -0.009 nan 4.420 nan 0.000 0.222 430 P C 0.732 178.070 177.300 0.064 0.000 1.153 430 P CA 0.912 64.044 63.100 0.052 0.000 0.798 430 P CB 0.033 31.752 31.700 0.031 0.000 0.796 431 E N -0.519 119.738 120.200 0.096 0.000 2.077 431 E HA -0.195 4.154 4.350 -0.000 0.000 0.193 431 E C 2.088 178.802 176.600 0.190 0.000 0.989 431 E CA 1.172 57.643 56.400 0.118 0.000 0.800 431 E CB -1.192 28.592 29.700 0.140 0.000 0.746 431 E HN 0.316 nan 8.360 nan 0.000 0.452 432 Y N 1.469 121.827 120.300 0.095 0.000 2.286 432 Y HA -0.126 4.424 4.550 -0.000 0.000 0.293 432 Y C 1.922 177.873 175.900 0.085 0.000 1.124 432 Y CA 1.526 59.683 58.100 0.096 0.000 1.178 432 Y CB -0.035 38.437 38.460 0.020 0.000 1.010 432 Y HN 0.041 nan 8.280 nan 0.000 0.536 433 D N 0.367 120.751 120.400 -0.028 0.000 2.097 433 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 433 D C 0.962 177.194 176.300 -0.113 0.000 0.989 433 D CA 1.781 55.720 54.000 -0.102 0.000 0.827 433 D CB 0.001 40.800 40.800 -0.001 0.000 0.966 433 D HN 0.648 nan 8.370 nan 0.000 0.456 434 E N -0.516 119.651 120.200 -0.055 0.000 2.476 434 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 434 E C 0.552 177.113 176.600 -0.064 0.000 1.064 434 E CA -0.285 56.083 56.400 -0.054 0.000 0.866 434 E CB 0.122 29.797 29.700 -0.042 0.000 0.952 434 E HN 0.313 nan 8.360 nan 0.000 0.492 435 H N 1.922 120.913 119.070 -0.132 0.000 2.964 435 H HA 0.023 4.579 4.556 -0.000 0.000 0.328 435 H C 0.779 176.050 175.328 -0.094 0.000 1.030 435 H CA 0.930 56.915 56.048 -0.105 0.000 1.445 435 H CB 0.923 30.608 29.762 -0.128 0.000 1.449 435 H HN 0.002 nan 8.280 nan 0.000 0.581 436 K N 2.833 123.226 120.400 -0.012 0.000 2.393 436 K HA 0.008 4.327 4.320 -0.000 0.000 0.193 436 K C 0.568 177.243 176.600 0.124 0.000 1.026 436 K CA -0.075 56.235 56.287 0.037 0.000 1.064 436 K CB 0.352 32.832 32.500 -0.034 0.000 0.833 436 K HN 0.331 nan 8.250 nan 0.000 0.521 437 S N -0.147 115.739 115.700 0.310 0.000 2.601 437 S HA 0.022 4.491 4.470 -0.000 0.000 0.271 437 S C 1.228 175.869 174.600 0.068 0.000 1.305 437 S CA -0.169 58.131 58.200 0.167 0.000 1.022 437 S CB 1.347 64.648 63.200 0.167 0.000 0.940 437 S HN 0.390 nan 8.310 nan 0.000 0.525 438 T N 0.176 114.750 114.554 0.033 0.000 3.067 438 T HA 0.053 4.403 4.350 -0.000 0.000 0.261 438 T C 0.687 175.390 174.700 0.006 0.000 1.110 438 T CA 0.766 62.885 62.100 0.031 0.000 1.113 438 T CB -0.505 68.385 68.868 0.037 0.000 0.917 438 T HN 0.874 nan 8.240 nan 0.000 0.499 439 V N -0.411 119.477 119.914 -0.044 0.000 2.454 439 V HA 0.519 4.639 4.120 -0.000 0.000 0.255 439 V C -3.062 172.966 176.094 -0.110 0.000 1.009 439 V CA -2.676 59.581 62.300 -0.071 0.000 1.149 439 V CB 0.490 32.237 31.823 -0.127 0.000 1.418 439 V HN 0.121 nan 8.190 nan 0.000 0.567 440 P HA 0.494 nan 4.420 nan 0.000 0.281 440 P C -0.804 176.469 177.300 -0.046 0.000 1.249 440 P CA -0.322 62.626 63.100 -0.253 0.000 0.810 440 P CB 2.316 33.751 31.700 -0.440 0.000 1.008 441 L N 1.700 122.885 121.223 -0.063 0.000 2.372 441 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 441 L C 0.291 177.158 176.870 -0.006 0.000 0.989 441 L CA -0.958 53.874 54.840 -0.013 0.000 0.841 441 L CB 1.794 43.821 42.059 -0.054 0.000 1.225 441 L HN 0.355 nan 8.230 nan 0.000 0.414 442 A N 4.312 127.161 122.820 0.049 0.000 2.343 442 A HA 0.479 4.799 4.320 -0.000 0.000 0.305 442 A C 0.924 178.537 177.584 0.048 0.000 1.308 442 A CA -0.376 51.688 52.037 0.045 0.000 0.949 442 A CB 0.310 19.304 19.000 -0.010 0.000 1.148 442 A HN 0.871 nan 8.150 nan 0.000 0.545 443 L N 2.466 123.673 121.223 -0.026 0.000 2.095 443 L HA 0.269 4.609 4.340 -0.000 0.000 0.204 443 L C 1.563 178.437 176.870 0.006 0.000 1.080 443 L CA 1.169 55.983 54.840 -0.044 0.000 0.759 443 L CB -0.468 41.496 42.059 -0.158 0.000 0.914 443 L HN 0.861 nan 8.230 nan 0.000 0.439 444 G N -2.316 106.487 108.800 0.006 0.000 2.491 444 G HA2 0.094 4.054 3.960 -0.000 0.000 0.183 444 G HA3 0.094 4.054 3.960 -0.000 0.000 0.183 444 G C -1.544 173.368 174.900 0.020 0.000 1.221 444 G CA -0.735 44.352 45.100 -0.023 0.000 0.996 444 G HN -0.020 nan 8.290 nan 0.000 0.474 445 H N 1.273 120.414 119.070 0.118 0.000 2.569 445 H HA 0.581 5.137 4.556 -0.000 0.000 0.357 445 H C -0.293 175.085 175.328 0.084 0.000 1.153 445 H CA -0.176 55.940 56.048 0.113 0.000 1.193 445 H CB 1.628 31.482 29.762 0.153 0.000 1.602 445 H HN 0.780 nan 8.280 nan 0.000 0.523 446 D N 0.408 120.917 120.400 0.182 0.000 2.414 446 D HA -0.019 4.620 4.640 -0.000 0.000 0.259 446 D C 1.511 177.879 176.300 0.113 0.000 1.269 446 D CA -0.556 53.481 54.000 0.061 0.000 1.028 446 D CB 0.635 41.460 40.800 0.042 0.000 1.093 446 D HN 0.462 nan 8.370 nan 0.000 0.545 447 I N -3.754 116.849 120.570 0.054 0.000 2.850 447 I HA 0.136 4.306 4.170 -0.000 0.000 0.266 447 I C 1.617 177.828 176.117 0.156 0.000 1.257 447 I CA 1.331 62.755 61.300 0.207 0.000 1.465 447 I CB -0.844 37.235 38.000 0.133 0.000 1.091 447 I HN 0.418 nan 8.210 nan 0.000 0.467 448 G N -0.342 108.509 108.800 0.085 0.000 3.233 448 G HA2 0.425 4.384 3.960 -0.000 0.000 0.234 448 G HA3 0.425 4.384 3.960 -0.000 0.000 0.234 448 G C 1.246 176.153 174.900 0.011 0.000 1.137 448 G CA 0.141 45.266 45.100 0.041 0.000 0.763 448 G HN 0.863 nan 8.290 nan 0.000 0.549 449 G N 0.053 108.868 108.800 0.024 0.000 2.175 449 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 449 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 449 G C 0.522 175.194 174.900 -0.380 0.000 0.982 449 G CA -0.030 44.983 45.100 -0.143 0.000 0.641 449 G HN 0.650 nan 8.290 nan 0.000 0.527 450 R N 1.625 122.045 120.500 -0.135 0.000 2.441 450 R HA 0.480 4.820 4.340 -0.000 0.000 0.284 450 R C -2.216 174.135 176.300 0.086 0.000 1.070 450 R CA -1.440 54.612 56.100 -0.079 0.000 1.047 450 R CB 0.835 31.131 30.300 -0.007 0.000 1.016 450 R HN 0.186 nan 8.270 nan 0.000 0.477 451 P HA 0.055 nan 4.420 nan 0.000 0.276 451 P C -0.590 176.808 177.300 0.164 0.000 1.230 451 P CA 0.114 63.393 63.100 0.299 0.000 0.776 451 P CB 0.821 32.666 31.700 0.242 0.000 0.888 452 I N 5.366 126.014 120.570 0.131 0.000 2.337 452 I HA 0.280 4.450 4.170 -0.000 0.000 0.285 452 I C 0.305 176.438 176.117 0.026 0.000 1.041 452 I CA -0.777 60.558 61.300 0.058 0.000 1.199 452 I CB 0.489 38.493 38.000 0.006 0.000 1.370 452 I HN 0.225 nan 8.210 nan 0.000 0.470 453 I N 6.276 126.887 120.570 0.068 0.000 2.378 453 I HA 0.400 4.569 4.170 -0.000 0.000 0.291 453 I C 0.754 176.915 176.117 0.074 0.000 0.992 453 I CA -0.050 61.304 61.300 0.090 0.000 1.154 453 I CB 1.947 40.074 38.000 0.212 0.000 1.315 453 I HN 0.582 nan 8.210 nan 0.000 0.448 454 T N 0.463 115.012 114.554 -0.007 0.000 2.883 454 T HA 0.619 4.969 4.350 -0.000 0.000 0.284 454 T C -0.988 173.696 174.700 -0.027 0.000 1.041 454 T CA -0.794 61.310 62.100 0.007 0.000 1.007 454 T CB 1.925 70.730 68.868 -0.105 0.000 1.220 454 T HN 0.363 nan 8.240 nan 0.000 0.552 455 D N 0.637 121.058 120.400 0.034 0.000 2.462 455 D HA 0.261 4.901 4.640 -0.000 0.000 0.245 455 D C 1.002 177.276 176.300 -0.043 0.000 1.122 455 D CA -0.753 53.242 54.000 -0.008 0.000 0.864 455 D CB 1.068 41.949 40.800 0.135 0.000 1.098 455 D HN 0.562 nan 8.370 nan 0.000 0.541 456 L N 3.225 124.383 121.223 -0.108 0.000 2.043 456 L HA -0.211 4.128 4.340 -0.000 0.000 0.212 456 L C 1.858 178.571 176.870 -0.260 0.000 1.075 456 L CA 1.778 56.531 54.840 -0.145 0.000 0.752 456 L CB -0.118 41.836 42.059 -0.176 0.000 0.891 456 L HN 0.505 nan 8.230 nan 0.000 0.432 457 A N -0.858 121.736 122.820 -0.375 0.000 2.131 457 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 457 A C 1.978 179.522 177.584 -0.066 0.000 1.158 457 A CA 1.305 53.083 52.037 -0.433 0.000 0.665 457 A CB -0.212 18.629 19.000 -0.266 0.000 0.795 457 A HN 0.339 nan 8.150 nan 0.000 0.460 458 K N -1.104 119.278 120.400 -0.029 0.000 2.353 458 K HA 0.287 4.607 4.320 -0.000 0.000 0.195 458 K C 1.529 178.150 176.600 0.034 0.000 1.031 458 K CA 0.192 56.496 56.287 0.028 0.000 1.079 458 K CB -0.072 32.458 32.500 0.050 0.000 0.857 458 K HN 0.574 nan 8.250 nan 0.000 0.535 459 M N 1.253 120.866 119.600 0.022 0.000 2.099 459 M HA -0.088 4.391 4.480 -0.000 0.000 0.262 459 M C -0.794 175.528 176.300 0.035 0.000 1.067 459 M CA 1.853 57.179 55.300 0.042 0.000 1.124 459 M CB -0.913 31.720 32.600 0.054 0.000 1.353 459 M HN -0.148 nan 8.290 nan 0.000 0.410 460 P HA 0.166 nan 4.420 nan 0.000 0.272 460 P C -0.682 176.389 177.300 -0.380 0.000 1.408 460 P CA 0.577 63.610 63.100 -0.112 0.000 0.996 460 P CB 0.367 31.988 31.700 -0.131 0.000 1.481 461 H N -0.444 118.693 119.070 0.112 0.000 2.980 461 H HA 0.499 5.055 4.556 -0.000 0.000 0.367 461 H C -1.061 174.294 175.328 0.044 0.000 1.206 461 H CA -0.777 55.315 56.048 0.072 0.000 1.126 461 H CB 2.321 32.096 29.762 0.023 0.000 1.838 461 H HN -0.081 nan 8.280 nan 0.000 0.552 462 L N 1.767 123.078 121.223 0.146 0.000 2.408 462 L HA 0.440 4.779 4.340 -0.000 0.000 0.268 462 L C -1.549 175.347 176.870 0.043 0.000 0.986 462 L CA -0.409 54.483 54.840 0.087 0.000 0.820 462 L CB 1.719 43.825 42.059 0.078 0.000 1.303 462 L HN 0.466 nan 8.230 nan 0.000 0.411 463 L N 5.329 126.576 121.223 0.040 0.000 2.296 463 L HA 0.715 5.054 4.340 -0.000 0.000 0.286 463 L C -1.070 175.849 176.870 0.082 0.000 1.023 463 L CA -0.743 54.117 54.840 0.034 0.000 0.812 463 L CB 1.904 43.980 42.059 0.029 0.000 1.223 463 L HN 0.371 nan 8.230 nan 0.000 0.421 464 V N 2.996 122.989 119.914 0.133 0.000 2.487 464 V HA 0.801 4.921 4.120 -0.000 0.000 0.298 464 V C -0.194 176.021 176.094 0.201 0.000 1.028 464 V CA -0.516 61.874 62.300 0.151 0.000 0.860 464 V CB 1.587 33.515 31.823 0.175 0.000 0.991 464 V HN 0.820 nan 8.190 nan 0.000 0.427 465 A N 3.109 126.032 122.820 0.171 0.000 2.435 465 A HA 1.052 5.372 4.320 -0.000 0.000 0.304 465 A C -0.108 177.603 177.584 0.213 0.000 1.064 465 A CA -0.237 51.900 52.037 0.168 0.000 0.727 465 A CB 2.214 21.285 19.000 0.119 0.000 1.284 465 A HN 1.611 nan 8.150 nan 0.000 0.415 466 G N 0.606 109.513 108.800 0.178 0.000 2.476 466 G HA2 0.574 4.533 3.960 -0.000 0.000 0.309 466 G HA3 0.574 4.533 3.960 -0.000 0.000 0.309 466 G C -0.469 174.483 174.900 0.087 0.000 1.575 466 G CA 0.159 45.371 45.100 0.188 0.000 0.913 466 G HN 1.300 nan 8.290 nan 0.000 0.623 467 T N -0.690 113.898 114.554 0.057 0.000 2.766 467 T HA 0.532 4.882 4.350 -0.000 0.000 0.295 467 T C 1.263 175.963 174.700 0.001 0.000 1.024 467 T CA 0.295 62.407 62.100 0.020 0.000 1.018 467 T CB 1.021 69.896 68.868 0.010 0.000 1.002 467 T HN 1.614 nan 8.240 nan 0.000 0.532 468 T N -1.448 113.100 114.554 -0.011 0.000 2.908 468 T HA 0.402 4.752 4.350 -0.000 0.000 0.301 468 T C 1.503 176.184 174.700 -0.033 0.000 1.019 468 T CA 0.109 62.196 62.100 -0.021 0.000 1.152 468 T CB -0.257 68.601 68.868 -0.016 0.000 0.966 468 T HN 1.950 nan 8.240 nan 0.000 0.540 469 G N 2.515 111.286 108.800 -0.048 0.000 2.194 469 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.236 469 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.236 469 G C 1.099 175.926 174.900 -0.121 0.000 0.987 469 G CA 0.709 45.764 45.100 -0.077 0.000 0.635 469 G HN 1.657 nan 8.290 nan 0.000 0.520 470 S N -0.224 115.423 115.700 -0.089 0.000 2.461 470 S HA 0.402 4.872 4.470 -0.000 0.000 0.228 470 S C 2.148 176.636 174.600 -0.188 0.000 1.005 470 S CA 1.518 59.674 58.200 -0.072 0.000 0.942 470 S CB 0.196 63.424 63.200 0.046 0.000 0.776 470 S HN 2.390 nan 8.310 nan 0.000 0.514 471 G N 1.513 110.149 108.800 -0.273 0.000 2.135 471 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.183 471 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.183 471 G C 0.541 174.944 174.900 -0.827 0.000 1.004 471 G CA 0.319 45.190 45.100 -0.382 0.000 0.677 471 G HN 0.485 nan 8.290 nan 0.000 0.512 472 K N 0.496 120.455 120.400 -0.735 0.000 2.057 472 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 472 K C 2.512 178.953 176.600 -0.266 0.000 1.050 472 K CA 1.751 57.674 56.287 -0.606 0.000 0.935 472 K CB -0.282 32.145 32.500 -0.122 0.000 0.715 472 K HN 0.336 nan 8.250 nan 0.000 0.439 473 S N 0.682 116.276 115.700 -0.177 0.000 2.356 473 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 473 S C 1.995 176.526 174.600 -0.115 0.000 1.032 473 S CA 1.339 59.483 58.200 -0.095 0.000 1.005 473 S CB -0.207 62.957 63.200 -0.060 0.000 0.867 473 S HN 0.120 nan 8.310 nan 0.000 0.449 474 V N 1.724 121.539 119.914 -0.164 0.000 2.343 474 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 474 V C 2.614 178.589 176.094 -0.198 0.000 1.051 474 V CA 1.923 64.108 62.300 -0.191 0.000 1.036 474 V CB -1.463 30.253 31.823 -0.178 0.000 0.654 474 V HN 0.600 nan 8.190 nan 0.000 0.451 475 G N -0.518 108.166 108.800 -0.195 0.000 2.432 475 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 475 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 475 G C 1.625 176.517 174.900 -0.012 0.000 1.135 475 G CA 1.162 46.236 45.100 -0.043 0.000 0.767 475 G HN 0.404 nan 8.290 nan 0.000 0.550 476 V N 1.249 121.149 119.914 -0.024 0.000 2.453 476 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 476 V C 2.585 178.640 176.094 -0.064 0.000 1.048 476 V CA 1.567 63.857 62.300 -0.017 0.000 1.049 476 V CB -0.365 31.456 31.823 -0.004 0.000 0.672 476 V HN 0.305 nan 8.190 nan 0.000 0.457 477 N N 0.680 119.336 118.700 -0.074 0.000 2.166 477 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 477 N C 1.891 177.297 175.510 -0.174 0.000 1.019 477 N CA 1.586 54.608 53.050 -0.046 0.000 0.856 477 N CB -0.330 38.122 38.487 -0.057 0.000 0.993 477 N HN 0.491 nan 8.380 nan 0.000 0.426 478 A N 0.952 123.579 122.820 -0.322 0.000 1.933 478 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 478 A C 2.329 179.754 177.584 -0.265 0.000 1.175 478 A CA 1.078 52.745 52.037 -0.617 0.000 0.628 478 A CB -0.392 18.258 19.000 -0.583 0.000 0.814 478 A HN 0.182 nan 8.150 nan 0.000 0.444 479 M N -0.734 118.793 119.600 -0.121 0.000 2.099 479 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 479 M C 2.135 178.420 176.300 -0.025 0.000 1.067 479 M CA 1.431 56.706 55.300 -0.041 0.000 1.124 479 M CB -0.438 32.143 32.600 -0.032 0.000 1.353 479 M HN 0.378 nan 8.290 nan 0.000 0.410 480 L N -0.420 120.763 121.223 -0.067 0.000 2.046 480 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 480 L C 2.334 179.201 176.870 -0.006 0.000 1.077 480 L CA 0.833 55.613 54.840 -0.100 0.000 0.747 480 L CB -0.592 41.312 42.059 -0.258 0.000 0.896 480 L HN 0.265 nan 8.230 nan 0.000 0.432 481 L N -0.685 120.580 121.223 0.070 0.000 2.191 481 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 481 L C 2.648 179.710 176.870 0.321 0.000 1.103 481 L CA 1.401 56.336 54.840 0.158 0.000 0.769 481 L CB -0.642 41.597 42.059 0.301 0.000 0.908 481 L HN 0.108 nan 8.230 nan 0.000 0.438 482 S N -0.735 115.174 115.700 0.348 0.000 2.382 482 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 482 S C 1.887 176.680 174.600 0.322 0.000 1.027 482 S CA 0.990 59.404 58.200 0.357 0.000 0.991 482 S CB -0.114 63.231 63.200 0.241 0.000 0.823 482 S HN 0.266 nan 8.310 nan 0.000 0.469 483 I N 1.504 122.170 120.570 0.160 0.000 2.162 483 I HA -0.055 4.115 4.170 -0.000 0.000 0.238 483 I C 2.135 178.313 176.117 0.102 0.000 1.076 483 I CA 1.151 62.505 61.300 0.090 0.000 1.353 483 I CB -1.518 36.466 38.000 -0.028 0.000 1.063 483 I HN 0.266 nan 8.210 nan 0.000 0.408 484 L N -0.395 120.828 121.223 0.000 0.000 2.261 484 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 484 L C 2.288 179.353 176.870 0.325 0.000 1.114 484 L CA 1.419 56.258 54.840 -0.003 0.000 0.777 484 L CB -0.550 41.436 42.059 -0.122 0.000 0.910 484 L HN 0.135 nan 8.230 nan 0.000 0.440 485 F N -0.723 119.428 119.950 0.336 0.000 2.765 485 F HA -0.028 4.499 4.527 -0.000 0.000 0.302 485 F C 2.277 178.254 175.800 0.295 0.000 1.111 485 F CA 0.239 58.425 58.000 0.311 0.000 1.359 485 F CB 0.338 39.485 39.000 0.245 0.000 1.097 485 F HN -0.033 nan 8.300 nan 0.000 0.577 486 K N -1.206 119.456 120.400 0.437 0.000 2.511 486 K HA 0.204 4.524 4.320 -0.000 0.000 0.209 486 K C 0.030 176.770 176.600 0.233 0.000 1.301 486 K CA 0.227 56.670 56.287 0.260 0.000 0.967 486 K CB 0.679 33.254 32.500 0.124 0.000 1.109 486 K HN -0.091 nan 8.250 nan 0.000 0.561 487 S N 0.424 116.289 115.700 0.275 0.000 2.566 487 S HA 0.306 4.775 4.470 -0.000 0.000 0.298 487 S C -0.591 174.208 174.600 0.333 0.000 1.083 487 S CA -0.797 57.547 58.200 0.239 0.000 0.978 487 S CB 1.885 65.172 63.200 0.146 0.000 1.073 487 S HN 0.347 nan 8.310 nan 0.000 0.491 488 T N -0.558 114.127 114.554 0.218 0.000 2.927 488 T HA 0.452 4.802 4.350 -0.000 0.000 0.281 488 T C -2.305 172.247 174.700 -0.246 0.000 0.998 488 T CA -2.083 60.060 62.100 0.072 0.000 1.019 488 T CB 0.833 69.794 68.868 0.156 0.000 1.061 488 T HN 0.152 nan 8.240 nan 0.000 0.518 489 P HA -0.072 nan 4.420 nan 0.000 0.220 489 P C 1.355 178.533 177.300 -0.204 0.000 1.144 489 P CA 1.081 63.817 63.100 -0.607 0.000 0.800 489 P CB -0.052 31.269 31.700 -0.632 0.000 0.772 490 S N -2.206 113.428 115.700 -0.110 0.000 2.593 490 S HA 0.099 4.569 4.470 -0.000 0.000 0.217 490 S C 1.430 176.037 174.600 0.012 0.000 0.966 490 S CA 0.252 58.435 58.200 -0.028 0.000 0.914 490 S CB -0.489 62.708 63.200 -0.005 0.000 0.776 490 S HN 0.211 nan 8.310 nan 0.000 0.523 491 E N 0.772 120.981 120.200 0.015 0.000 2.399 491 E HA 0.487 4.837 4.350 -0.000 0.000 0.205 491 E C 0.235 176.868 176.600 0.055 0.000 0.906 491 E CA 0.350 56.779 56.400 0.047 0.000 0.998 491 E CB 0.996 30.734 29.700 0.063 0.000 1.002 491 E HN 0.528 nan 8.360 nan 0.000 0.501 492 A N 1.205 124.057 122.820 0.054 0.000 2.465 492 A HA 0.613 4.933 4.320 -0.000 0.000 0.292 492 A C -1.070 176.562 177.584 0.080 0.000 1.041 492 A CA -0.832 51.248 52.037 0.072 0.000 0.718 492 A CB 1.370 20.417 19.000 0.077 0.000 1.266 492 A HN -0.103 nan 8.150 nan 0.000 0.403 493 R N 0.906 121.445 120.500 0.065 0.000 2.832 493 R HA 0.810 5.150 4.340 -0.000 0.000 0.271 493 R C -1.232 175.095 176.300 0.045 0.000 0.996 493 R CA -0.689 55.444 56.100 0.056 0.000 0.977 493 R CB 1.549 31.880 30.300 0.051 0.000 1.168 493 R HN 0.701 nan 8.270 nan 0.000 0.482 494 L N 2.147 123.383 121.223 0.021 0.000 2.370 494 L HA 0.627 4.967 4.340 -0.000 0.000 0.266 494 L C -0.309 176.538 176.870 -0.038 0.000 1.002 494 L CA -0.759 54.071 54.840 -0.016 0.000 0.818 494 L CB 2.227 44.245 42.059 -0.068 0.000 1.325 494 L HN 0.386 nan 8.230 nan 0.000 0.418 495 I N 2.832 123.379 120.570 -0.039 0.000 2.411 495 I HA 0.397 4.566 4.170 -0.000 0.000 0.284 495 I C -0.676 175.404 176.117 -0.061 0.000 1.012 495 I CA -0.210 61.053 61.300 -0.062 0.000 1.119 495 I CB 1.752 39.734 38.000 -0.030 0.000 1.261 495 I HN 0.496 nan 8.210 nan 0.000 0.448 496 M N 7.396 126.947 119.600 -0.081 0.000 2.101 496 M HA 0.512 4.992 4.480 -0.000 0.000 0.340 496 M C -0.767 175.500 176.300 -0.054 0.000 1.057 496 M CA -0.428 54.825 55.300 -0.077 0.000 0.984 496 M CB 1.772 34.311 32.600 -0.101 0.000 1.560 496 M HN 0.386 nan 8.290 nan 0.000 0.435 497 I N 2.732 123.284 120.570 -0.031 0.000 2.312 497 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 497 I C -0.292 175.825 176.117 0.000 0.000 1.008 497 I CA -0.213 61.079 61.300 -0.013 0.000 1.226 497 I CB 1.057 39.060 38.000 0.006 0.000 1.371 497 I HN 0.532 nan 8.210 nan 0.000 0.468 498 D N 9.050 129.450 120.400 -0.001 0.000 2.456 498 D HA 0.251 4.891 4.640 -0.000 0.000 0.287 498 D C -1.487 174.818 176.300 0.009 0.000 1.186 498 D CA -2.148 51.857 54.000 0.008 0.000 0.916 498 D CB 1.236 42.043 40.800 0.011 0.000 1.029 498 D HN 0.200 nan 8.370 nan 0.000 0.498 499 P HA -0.168 nan 4.420 nan 0.000 0.222 499 P C -0.360 176.943 177.300 0.005 0.000 1.142 499 P CA 0.813 63.918 63.100 0.009 0.000 0.788 499 P CB 0.258 31.966 31.700 0.013 0.000 0.767 500 K N -0.017 120.387 120.400 0.007 0.000 2.425 500 K HA 0.343 4.663 4.320 -0.000 0.000 0.259 500 K C 0.326 176.931 176.600 0.009 0.000 0.978 500 K CA -0.802 55.488 56.287 0.005 0.000 0.883 500 K CB 0.843 33.346 32.500 0.004 0.000 1.110 500 K HN -0.214 nan 8.250 nan 0.000 0.436 501 M N 3.425 123.030 119.600 0.008 0.000 2.886 501 M HA -0.080 4.399 4.480 -0.000 0.000 0.199 501 M C 0.811 177.121 176.300 0.016 0.000 1.044 501 M CA 0.729 56.036 55.300 0.011 0.000 1.095 501 M CB -0.745 31.860 32.600 0.008 0.000 1.746 501 M HN 0.615 nan 8.290 nan 0.000 0.491 502 L N -0.795 120.438 121.223 0.018 0.000 2.597 502 L HA 0.092 4.432 4.340 -0.000 0.000 0.188 502 L C 1.949 178.839 176.870 0.033 0.000 1.333 502 L CA 0.380 55.232 54.840 0.020 0.000 1.543 502 L CB -0.171 41.896 42.059 0.013 0.000 1.504 502 L HN 0.091 nan 8.230 nan 0.000 0.813 503 E N 0.725 120.945 120.200 0.034 0.000 2.095 503 E HA -0.281 4.069 4.350 -0.000 0.000 0.212 503 E C 2.006 178.669 176.600 0.104 0.000 1.044 503 E CA 1.930 58.361 56.400 0.052 0.000 0.857 503 E CB -0.631 29.091 29.700 0.038 0.000 0.764 503 E HN 0.522 nan 8.360 nan 0.000 0.462 504 L N 0.693 121.975 121.223 0.098 0.000 2.554 504 L HA 0.031 4.371 4.340 -0.000 0.000 0.226 504 L C 2.064 179.053 176.870 0.198 0.000 1.137 504 L CA 0.129 55.064 54.840 0.158 0.000 0.863 504 L CB -0.049 42.028 42.059 0.030 0.000 0.985 504 L HN -0.051 nan 8.230 nan 0.000 0.451 505 S N 0.340 116.110 115.700 0.116 0.000 2.500 505 S HA -0.074 4.396 4.470 -0.000 0.000 0.239 505 S C 1.849 176.506 174.600 0.095 0.000 0.989 505 S CA 0.572 58.827 58.200 0.091 0.000 0.951 505 S CB -0.105 63.126 63.200 0.052 0.000 0.759 505 S HN 0.322 nan 8.310 nan 0.000 0.523 506 I N 0.491 121.118 120.570 0.095 0.000 3.111 506 I HA -0.033 4.137 4.170 -0.000 0.000 0.272 506 I C 0.462 176.519 176.117 -0.099 0.000 1.268 506 I CA 1.125 62.417 61.300 -0.014 0.000 1.467 506 I CB -0.453 37.491 38.000 -0.094 0.000 1.087 506 I HN 0.288 nan 8.210 nan 0.000 0.467 507 Y N 0.810 121.114 120.300 0.007 0.000 2.457 507 Y HA 0.167 4.716 4.550 -0.000 0.000 0.263 507 Y C 0.845 176.755 175.900 0.017 0.000 1.164 507 Y CA -0.506 57.592 58.100 -0.003 0.000 1.274 507 Y CB -0.267 38.177 38.460 -0.027 0.000 1.097 507 Y HN 0.065 nan 8.280 nan 0.000 0.523 508 E N 0.570 120.861 120.200 0.152 0.000 2.529 508 E HA 0.214 4.564 4.350 -0.000 0.000 0.259 508 E C 1.337 178.013 176.600 0.127 0.000 0.966 508 E CA 1.282 57.762 56.400 0.132 0.000 0.937 508 E CB 0.092 29.852 29.700 0.099 0.000 0.923 508 E HN 0.531 nan 8.360 nan 0.000 0.468 509 G N 3.595 112.498 108.800 0.172 0.000 2.241 509 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 509 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 509 G C 0.592 175.548 174.900 0.093 0.000 0.998 509 G CA 0.043 45.213 45.100 0.118 0.000 0.621 509 G HN 0.866 nan 8.290 nan 0.000 0.519 510 I N -0.292 120.353 120.570 0.126 0.000 2.815 510 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 510 I C -0.082 176.094 176.117 0.099 0.000 1.209 510 I CA -1.016 60.364 61.300 0.133 0.000 1.431 510 I CB 0.722 38.799 38.000 0.128 0.000 1.351 510 I HN -0.004 nan 8.210 nan 0.000 0.585 511 P HA -0.188 nan 4.420 nan 0.000 0.223 511 P C 0.898 178.111 177.300 -0.145 0.000 1.144 511 P CA 1.749 64.802 63.100 -0.078 0.000 0.783 511 P CB -0.164 31.464 31.700 -0.119 0.000 0.771 512 H N -0.497 118.446 119.070 -0.213 0.000 2.495 512 H HA 0.115 4.671 4.556 -0.000 0.000 0.287 512 H C 1.109 176.388 175.328 -0.082 0.000 1.033 512 H CA 0.043 55.976 56.048 -0.192 0.000 1.307 512 H CB -1.002 28.591 29.762 -0.282 0.000 1.401 512 H HN 0.116 nan 8.280 nan 0.000 0.555 513 L N 1.418 122.707 121.223 0.110 0.000 2.499 513 L HA -0.059 4.281 4.340 -0.000 0.000 0.273 513 L C 0.980 177.922 176.870 0.120 0.000 1.195 513 L CA 0.092 54.995 54.840 0.106 0.000 0.882 513 L CB 0.707 42.879 42.059 0.188 0.000 1.133 513 L HN 0.307 nan 8.230 nan 0.000 0.483 514 L N 3.544 124.758 121.223 -0.014 0.000 2.418 514 L HA 0.029 4.368 4.340 -0.000 0.000 0.218 514 L C 0.588 177.358 176.870 -0.166 0.000 1.125 514 L CA 0.168 54.954 54.840 -0.090 0.000 0.835 514 L CB -0.030 41.886 42.059 -0.239 0.000 0.953 514 L HN 0.842 nan 8.230 nan 0.000 0.454 515 C N -5.912 113.201 119.300 -0.311 0.000 3.295 515 C HA 0.538 4.998 4.460 -0.000 0.000 0.341 515 C C -2.812 171.634 174.990 -0.908 0.000 1.418 515 C CA -1.909 56.680 59.018 -0.715 0.000 1.240 515 C CB 0.970 28.423 27.740 -0.477 0.000 1.562 515 C HN -0.222 nan 8.230 nan 0.000 0.457 516 P HA 0.245 nan 4.420 nan 0.000 0.271 516 P C -0.465 176.676 177.300 -0.266 0.000 1.233 516 P CA -0.152 62.613 63.100 -0.559 0.000 0.789 516 P CB 0.323 31.794 31.700 -0.382 0.000 0.951 517 V N 2.334 122.176 119.914 -0.121 0.000 2.458 517 V HA -0.050 4.070 4.120 -0.000 0.000 0.287 517 V C 0.420 176.467 176.094 -0.077 0.000 1.009 517 V CA 0.159 62.416 62.300 -0.071 0.000 1.091 517 V CB -0.164 31.654 31.823 -0.008 0.000 0.960 517 V HN 0.212 nan 8.190 nan 0.000 0.476 518 V N 5.414 125.279 119.914 -0.083 0.000 2.450 518 V HA 0.036 4.156 4.120 -0.000 0.000 0.281 518 V C 1.194 177.266 176.094 -0.037 0.000 1.019 518 V CA 0.592 62.851 62.300 -0.069 0.000 1.062 518 V CB 0.459 32.243 31.823 -0.066 0.000 0.979 518 V HN 1.047 nan 8.190 nan 0.000 0.477 519 T N 1.726 116.261 114.554 -0.033 0.000 3.038 519 T HA 0.022 4.372 4.350 -0.000 0.000 0.244 519 T C 0.756 175.448 174.700 -0.013 0.000 1.016 519 T CA 0.140 62.230 62.100 -0.017 0.000 1.098 519 T CB 0.075 68.934 68.868 -0.014 0.000 0.954 519 T HN 0.825 nan 8.240 nan 0.000 0.469 520 D N 1.564 121.953 120.400 -0.019 0.000 2.317 520 D HA 0.046 4.686 4.640 -0.000 0.000 0.252 520 D C 0.998 177.293 176.300 -0.010 0.000 1.174 520 D CA -0.238 53.754 54.000 -0.013 0.000 0.866 520 D CB 1.077 41.867 40.800 -0.016 0.000 1.127 520 D HN -0.045 nan 8.370 nan 0.000 0.467 521 M N 3.723 123.322 119.600 -0.003 0.000 2.229 521 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 521 M C 1.789 178.091 176.300 0.004 0.000 1.063 521 M CA 1.040 56.342 55.300 0.003 0.000 1.114 521 M CB -0.762 31.842 32.600 0.008 0.000 1.387 521 M HN 0.376 nan 8.290 nan 0.000 0.420 522 K N 0.463 120.864 120.400 0.001 0.000 2.057 522 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 522 K C 1.930 178.531 176.600 0.001 0.000 1.049 522 K CA 1.183 57.472 56.287 0.003 0.000 0.931 522 K CB -0.394 32.106 32.500 0.001 0.000 0.714 522 K HN 0.525 nan 8.250 nan 0.000 0.440 523 E N 0.410 120.606 120.200 -0.007 0.000 2.106 523 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 523 E C 2.000 178.592 176.600 -0.013 0.000 0.984 523 E CA 0.874 57.264 56.400 -0.016 0.000 0.806 523 E CB -0.064 29.615 29.700 -0.034 0.000 0.750 523 E HN 0.275 nan 8.360 nan 0.000 0.458 524 A N 1.634 124.449 122.820 -0.009 0.000 1.908 524 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 524 A C 2.418 180.012 177.584 0.017 0.000 1.181 524 A CA 1.744 53.781 52.037 -0.001 0.000 0.627 524 A CB -0.663 18.340 19.000 0.006 0.000 0.818 524 A HN 0.300 nan 8.150 nan 0.000 0.445 525 A N 0.338 123.169 122.820 0.019 0.000 1.908 525 A HA -0.230 4.089 4.320 -0.000 0.000 0.218 525 A C 1.915 179.521 177.584 0.038 0.000 1.181 525 A CA 1.892 53.945 52.037 0.026 0.000 0.627 525 A CB -0.657 18.355 19.000 0.021 0.000 0.818 525 A HN 0.568 nan 8.150 nan 0.000 0.445 526 N N 0.401 119.123 118.700 0.037 0.000 2.188 526 N HA -0.083 4.656 4.740 -0.000 0.000 0.184 526 N C 1.866 177.439 175.510 0.104 0.000 1.018 526 N CA 1.468 54.554 53.050 0.060 0.000 0.858 526 N CB -0.598 37.912 38.487 0.040 0.000 0.989 526 N HN 0.482 nan 8.380 nan 0.000 0.426 527 A N 1.395 124.257 122.820 0.069 0.000 1.902 527 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 527 A C 2.369 180.062 177.584 0.182 0.000 1.181 527 A CA 0.897 52.992 52.037 0.096 0.000 0.623 527 A CB -0.676 18.329 19.000 0.008 0.000 0.818 527 A HN 0.199 nan 8.150 nan 0.000 0.443 528 L N -1.402 119.885 121.223 0.108 0.000 2.056 528 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 528 L C 2.894 179.816 176.870 0.086 0.000 1.078 528 L CA 1.397 56.289 54.840 0.087 0.000 0.749 528 L CB -0.502 41.582 42.059 0.041 0.000 0.901 528 L HN 0.371 nan 8.230 nan 0.000 0.433 529 R N -0.894 119.658 120.500 0.087 0.000 2.081 529 R HA -0.237 4.103 4.340 -0.000 0.000 0.235 529 R C 2.126 178.472 176.300 0.077 0.000 1.131 529 R CA 2.045 58.182 56.100 0.062 0.000 0.960 529 R CB -0.480 29.856 30.300 0.059 0.000 0.856 529 R HN 0.399 nan 8.270 nan 0.000 0.436 530 W N 1.306 122.597 121.300 -0.016 0.000 2.338 530 W HA -0.201 4.459 4.660 -0.001 0.000 0.304 530 W C 2.099 178.610 176.519 -0.013 0.000 1.212 530 W CA 1.853 59.190 57.345 -0.014 0.000 1.264 530 W CB -0.235 29.215 29.460 -0.015 0.000 1.142 530 W HN -0.071 nan 8.180 nan 0.000 0.512 531 S N 0.220 116.004 115.700 0.141 0.000 2.382 531 S HA -0.220 4.250 4.470 -0.000 0.000 0.228 531 S C 1.790 176.280 174.600 -0.183 0.000 1.027 531 S CA 1.694 59.869 58.200 -0.043 0.000 0.991 531 S CB -0.845 62.432 63.200 0.128 0.000 0.823 531 S HN 0.179 nan 8.310 nan 0.000 0.469 532 V N 2.018 121.864 119.914 -0.113 0.000 2.343 532 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 532 V C 2.650 178.644 176.094 -0.166 0.000 1.051 532 V CA 1.623 63.858 62.300 -0.109 0.000 1.036 532 V CB -1.300 30.481 31.823 -0.070 0.000 0.654 532 V HN 0.540 nan 8.190 nan 0.000 0.451 533 A N 0.270 122.948 122.820 -0.237 0.000 1.877 533 A HA -0.247 4.072 4.320 -0.000 0.000 0.216 533 A C 2.227 179.593 177.584 -0.362 0.000 1.186 533 A CA 2.008 53.882 52.037 -0.272 0.000 0.620 533 A CB -0.558 18.267 19.000 -0.291 0.000 0.822 533 A HN 0.531 nan 8.150 nan 0.000 0.443 534 E N -0.053 119.768 120.200 -0.631 0.000 2.118 534 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 534 E C 1.958 178.357 176.600 -0.335 0.000 0.992 534 E CA 1.778 57.799 56.400 -0.632 0.000 0.804 534 E CB -0.440 28.584 29.700 -1.127 0.000 0.741 534 E HN 0.608 nan 8.360 nan 0.000 0.458 535 M N 0.088 119.539 119.600 -0.248 0.000 2.067 535 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 535 M C 1.693 178.014 176.300 0.035 0.000 1.069 535 M CA 1.899 57.148 55.300 -0.084 0.000 1.117 535 M CB -0.139 32.452 32.600 -0.015 0.000 1.334 535 M HN 0.016 nan 8.290 nan 0.000 0.407 536 E N 0.268 120.460 120.200 -0.013 0.000 2.085 536 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 536 E C 2.073 178.675 176.600 0.002 0.000 0.994 536 E CA 1.395 57.805 56.400 0.016 0.000 0.801 536 E CB -0.628 29.041 29.700 -0.051 0.000 0.743 536 E HN 0.610 nan 8.360 nan 0.000 0.453 537 R N 1.158 121.610 120.500 -0.081 0.000 2.081 537 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 537 R C 2.335 178.570 176.300 -0.109 0.000 1.131 537 R CA 1.163 57.207 56.100 -0.092 0.000 0.960 537 R CB 0.002 30.222 30.300 -0.134 0.000 0.856 537 R HN 0.054 nan 8.270 nan 0.000 0.436 538 R N -0.821 119.578 120.500 -0.168 0.000 2.081 538 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 538 R C 2.242 178.397 176.300 -0.242 0.000 1.131 538 R CA 1.861 57.794 56.100 -0.278 0.000 0.960 538 R CB -0.515 29.568 30.300 -0.363 0.000 0.856 538 R HN 0.320 nan 8.270 nan 0.000 0.436 539 Y N 0.560 120.785 120.300 -0.125 0.000 2.165 539 Y HA -0.214 4.335 4.550 -0.000 0.000 0.286 539 Y C 2.684 178.547 175.900 -0.063 0.000 1.155 539 Y CA 1.429 59.478 58.100 -0.084 0.000 1.164 539 Y CB -0.104 38.313 38.460 -0.071 0.000 0.978 539 Y HN -0.009 nan 8.280 nan 0.000 0.513 540 R N -0.019 120.530 120.500 0.081 0.000 2.081 540 R HA -0.185 4.154 4.340 -0.000 0.000 0.235 540 R C 2.271 178.583 176.300 0.020 0.000 1.131 540 R CA 1.379 57.504 56.100 0.040 0.000 0.960 540 R CB -0.568 29.740 30.300 0.014 0.000 0.856 540 R HN 0.370 nan 8.270 nan 0.000 0.436 541 L N 0.417 121.625 121.223 -0.024 0.000 1.955 541 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 541 L C 2.423 179.311 176.870 0.031 0.000 1.072 541 L CA 1.656 56.486 54.840 -0.018 0.000 0.755 541 L CB -0.191 41.783 42.059 -0.142 0.000 0.888 541 L HN 0.310 nan 8.230 nan 0.000 0.432 542 M N -0.949 118.634 119.600 -0.027 0.000 2.195 542 M HA -0.261 4.218 4.480 -0.000 0.000 0.260 542 M C 2.298 178.640 176.300 0.070 0.000 1.066 542 M CA 1.806 57.132 55.300 0.043 0.000 1.089 542 M CB -0.617 31.953 32.600 -0.049 0.000 1.377 542 M HN 0.449 nan 8.290 nan 0.000 0.411 543 A N 0.546 123.404 122.820 0.063 0.000 1.858 543 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 543 A C 2.415 180.035 177.584 0.060 0.000 1.190 543 A CA 2.026 54.103 52.037 0.066 0.000 0.617 543 A CB -1.023 18.015 19.000 0.064 0.000 0.827 543 A HN 0.504 nan 8.150 nan 0.000 0.443 544 A N -0.810 122.046 122.820 0.061 0.000 1.978 544 A HA -0.129 4.190 4.320 -0.000 0.000 0.220 544 A C 2.110 179.734 177.584 0.068 0.000 1.170 544 A CA 1.935 54.008 52.037 0.060 0.000 0.636 544 A CB -0.480 18.559 19.000 0.064 0.000 0.810 544 A HN 0.485 nan 8.150 nan 0.000 0.448 545 M N -1.622 118.033 119.600 0.092 0.000 2.506 545 M HA 0.117 4.596 4.480 -0.000 0.000 0.260 545 M C 1.447 177.786 176.300 0.064 0.000 1.104 545 M CA 1.086 56.441 55.300 0.091 0.000 1.112 545 M CB -0.996 31.701 32.600 0.162 0.000 1.401 545 M HN 0.791 nan 8.290 nan 0.000 0.473 546 G N 1.686 110.523 108.800 0.062 0.000 2.212 546 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.255 546 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.255 546 G C -0.203 174.727 174.900 0.050 0.000 1.062 546 G CA -0.015 45.113 45.100 0.047 0.000 0.815 546 G HN 0.347 nan 8.290 nan 0.000 0.497 547 V N -0.573 119.382 119.914 0.068 0.000 2.715 547 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 547 V C 1.423 177.553 176.094 0.060 0.000 1.054 547 V CA -0.757 61.586 62.300 0.071 0.000 0.928 547 V CB 1.787 33.680 31.823 0.116 0.000 1.007 547 V HN 0.335 nan 8.190 nan 0.000 0.437 548 R N 1.750 122.280 120.500 0.050 0.000 2.210 548 R HA 0.176 4.516 4.340 -0.000 0.000 0.203 548 R C -0.065 176.247 176.300 0.020 0.000 1.010 548 R CA 0.644 56.771 56.100 0.044 0.000 1.008 548 R CB 0.152 30.478 30.300 0.044 0.000 0.923 548 R HN 0.949 nan 8.270 nan 0.000 0.469 549 N N -2.563 116.144 118.700 0.012 0.000 3.227 549 N HA -0.031 4.709 4.740 -0.000 0.000 0.241 549 N C -0.003 175.512 175.510 0.009 0.000 1.480 549 N CA -0.696 52.336 53.050 -0.030 0.000 0.886 549 N CB 0.289 38.774 38.487 -0.003 0.000 1.406 549 N HN -0.213 nan 8.380 nan 0.000 0.514 550 L N 0.012 121.218 121.223 -0.029 0.000 2.051 550 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 550 L C 2.136 179.088 176.870 0.136 0.000 1.076 550 L CA 2.744 57.605 54.840 0.035 0.000 0.758 550 L CB -1.133 40.926 42.059 -0.000 0.000 0.890 550 L HN 0.840 nan 8.230 nan 0.000 0.433 551 A N -0.729 122.144 122.820 0.087 0.000 1.845 551 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 551 A C 2.383 180.013 177.584 0.078 0.000 1.195 551 A CA 1.766 53.850 52.037 0.078 0.000 0.616 551 A CB -1.669 17.363 19.000 0.053 0.000 0.832 551 A HN 0.519 nan 8.150 nan 0.000 0.443 552 G N -1.387 107.457 108.800 0.073 0.000 2.442 552 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 552 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 552 G C 1.457 176.398 174.900 0.068 0.000 1.141 552 G CA 1.210 46.344 45.100 0.056 0.000 0.763 552 G HN 0.515 nan 8.290 nan 0.000 0.554 553 F N 1.936 121.873 119.950 -0.020 0.000 2.069 553 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 553 F C 2.361 178.153 175.800 -0.013 0.000 1.113 553 F CA 2.107 60.094 58.000 -0.021 0.000 1.214 553 F CB -0.545 38.433 39.000 -0.036 0.000 0.978 553 F HN 0.195 nan 8.300 nan 0.000 0.474 554 N N -0.355 118.363 118.700 0.030 0.000 2.289 554 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 554 N C 1.795 177.231 175.510 -0.123 0.000 1.016 554 N CA 0.877 53.882 53.050 -0.075 0.000 0.872 554 N CB -0.082 38.459 38.487 0.089 0.000 0.973 554 N HN 0.330 nan 8.380 nan 0.000 0.433 555 R N 1.003 121.456 120.500 -0.079 0.000 2.061 555 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 555 R C 2.096 178.327 176.300 -0.114 0.000 1.140 555 R CA 1.046 57.105 56.100 -0.069 0.000 0.940 555 R CB -0.189 30.089 30.300 -0.036 0.000 0.839 555 R HN -0.006 nan 8.270 nan 0.000 0.429 556 K N 0.628 120.940 120.400 -0.146 0.000 2.052 556 K HA -0.192 4.128 4.320 -0.000 0.000 0.215 556 K C 1.969 178.442 176.600 -0.211 0.000 1.053 556 K CA 1.690 57.877 56.287 -0.167 0.000 0.934 556 K CB -0.736 31.648 32.500 -0.193 0.000 0.717 556 K HN 0.075 nan 8.250 nan 0.000 0.450 557 V N 0.417 120.126 119.914 -0.342 0.000 2.427 557 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 557 V C 2.174 178.166 176.094 -0.169 0.000 1.051 557 V CA 2.001 64.118 62.300 -0.305 0.000 1.048 557 V CB -0.256 31.288 31.823 -0.464 0.000 0.666 557 V HN 0.386 nan 8.190 nan 0.000 0.456 558 K N -0.481 119.835 120.400 -0.140 0.000 2.007 558 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 558 K C 1.907 178.467 176.600 -0.066 0.000 1.047 558 K CA 1.861 58.099 56.287 -0.081 0.000 0.937 558 K CB -0.298 32.167 32.500 -0.058 0.000 0.718 558 K HN 0.509 nan 8.250 nan 0.000 0.438 559 D N 0.745 121.104 120.400 -0.068 0.000 2.116 559 D HA -0.211 4.428 4.640 -0.000 0.000 0.193 559 D C 1.790 178.060 176.300 -0.051 0.000 0.998 559 D CA 1.564 55.533 54.000 -0.052 0.000 0.836 559 D CB -0.435 40.334 40.800 -0.051 0.000 0.951 559 D HN 0.363 nan 8.370 nan 0.000 0.449 560 A N 1.033 123.813 122.820 -0.066 0.000 1.917 560 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 560 A C 2.102 179.657 177.584 -0.047 0.000 1.182 560 A CA 1.937 53.939 52.037 -0.058 0.000 0.633 560 A CB -0.640 18.315 19.000 -0.075 0.000 0.819 560 A HN 0.285 nan 8.150 nan 0.000 0.448 561 E N -0.559 119.610 120.200 -0.050 0.000 2.106 561 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 561 E C 1.882 178.465 176.600 -0.029 0.000 0.984 561 E CA 1.187 57.564 56.400 -0.038 0.000 0.806 561 E CB -0.170 29.508 29.700 -0.038 0.000 0.750 561 E HN 0.747 nan 8.360 nan 0.000 0.458 562 E N 0.171 120.353 120.200 -0.029 0.000 2.347 562 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 562 E C 0.986 177.573 176.600 -0.021 0.000 1.008 562 E CA 0.498 56.885 56.400 -0.023 0.000 0.852 562 E CB 0.206 29.893 29.700 -0.022 0.000 0.783 562 E HN 0.110 nan 8.360 nan 0.000 0.505 563 A N 0.117 122.922 122.820 -0.024 0.000 2.610 563 A HA 0.437 4.757 4.320 -0.000 0.000 0.286 563 A C 1.529 179.102 177.584 -0.020 0.000 1.306 563 A CA 0.375 52.399 52.037 -0.021 0.000 0.942 563 A CB -0.355 18.631 19.000 -0.023 0.000 1.112 563 A HN 0.253 nan 8.150 nan 0.000 0.527 564 G N -0.246 108.543 108.800 -0.019 0.000 2.366 564 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.263 564 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.263 564 G C 0.617 175.505 174.900 -0.020 0.000 0.986 564 G CA 1.277 46.366 45.100 -0.018 0.000 0.632 564 G HN 0.790 nan 8.290 nan 0.000 0.555 565 T N 4.124 118.665 114.554 -0.022 0.000 3.400 565 T HA 0.499 4.849 4.350 -0.000 0.000 0.364 565 T C -1.908 172.775 174.700 -0.030 0.000 1.636 565 T CA -0.561 61.526 62.100 -0.023 0.000 1.211 565 T CB 1.737 70.592 68.868 -0.020 0.000 1.180 565 T HN 0.390 nan 8.240 nan 0.000 0.730 566 P HA 0.134 nan 4.420 nan 0.000 0.267 566 P C -0.097 177.179 177.300 -0.040 0.000 1.200 566 P CA -0.349 62.727 63.100 -0.039 0.000 0.772 566 P CB 1.082 32.761 31.700 -0.034 0.000 0.855 567 L N 1.052 122.245 121.223 -0.051 0.000 2.439 567 L HA 0.402 4.742 4.340 -0.000 0.000 0.261 567 L C 1.287 178.140 176.870 -0.028 0.000 1.153 567 L CA -0.044 54.770 54.840 -0.043 0.000 0.808 567 L CB 0.695 42.713 42.059 -0.068 0.000 1.126 567 L HN 0.414 nan 8.230 nan 0.000 0.460 568 T N -0.571 113.975 114.554 -0.012 0.000 2.887 568 T HA 0.125 4.475 4.350 -0.000 0.000 0.288 568 T C -0.582 174.135 174.700 0.028 0.000 1.021 568 T CA -0.733 61.361 62.100 -0.010 0.000 1.000 568 T CB 1.240 70.091 68.868 -0.029 0.000 1.034 568 T HN 0.568 nan 8.240 nan 0.000 0.467 569 D N 4.693 125.115 120.400 0.037 0.000 2.554 569 D HA 0.021 4.661 4.640 -0.000 0.000 0.251 569 D C -1.056 175.322 176.300 0.130 0.000 1.213 569 D CA -1.236 52.822 54.000 0.096 0.000 0.900 569 D CB 1.378 42.239 40.800 0.102 0.000 1.135 569 D HN 0.373 nan 8.370 nan 0.000 0.522 570 P HA -0.053 nan 4.420 nan 0.000 0.229 570 P C 1.193 178.562 177.300 0.115 0.000 1.160 570 P CA 0.403 63.569 63.100 0.110 0.000 0.777 570 P CB 0.348 32.102 31.700 0.089 0.000 0.814 571 L N -1.175 120.123 121.223 0.124 0.000 2.653 571 L HA 0.250 4.589 4.340 -0.000 0.000 0.232 571 L C 0.852 177.797 176.870 0.126 0.000 1.169 571 L CA -0.548 54.349 54.840 0.095 0.000 0.951 571 L CB -0.562 41.538 42.059 0.068 0.000 1.181 571 L HN -0.094 nan 8.230 nan 0.000 0.460 572 F N 2.842 122.804 119.950 0.020 0.000 2.427 572 F HA 0.301 4.828 4.527 -0.000 0.000 0.352 572 F C 0.903 176.711 175.800 0.013 0.000 1.100 572 F CA -0.701 57.309 58.000 0.017 0.000 1.191 572 F CB 0.470 39.482 39.000 0.020 0.000 1.128 572 F HN 0.065 nan 8.300 nan 0.000 0.533 573 R N 6.489 126.472 120.500 -0.861 0.000 2.310 573 R HA 0.480 4.820 4.340 -0.000 0.000 0.324 573 R C -0.984 174.740 176.300 -0.961 0.000 0.955 573 R CA -0.866 54.831 56.100 -0.671 0.000 0.830 573 R CB 0.921 31.023 30.300 -0.331 0.000 1.154 573 R HN 0.685 nan 8.270 nan 0.000 0.458 574 R N 2.429 122.545 120.500 -0.640 0.000 2.522 574 R HA 0.005 4.345 4.340 -0.000 0.000 0.284 574 R C 0.024 176.208 176.300 -0.194 0.000 1.032 574 R CA 0.185 56.089 56.100 -0.326 0.000 1.049 574 R CB 0.675 30.948 30.300 -0.046 0.000 0.956 574 R HN 0.773 nan 8.270 nan 0.000 0.422 575 E N 0.197 120.332 120.200 -0.109 0.000 2.514 575 E HA 0.058 4.408 4.350 -0.000 0.000 0.215 575 E C -0.098 176.495 176.600 -0.011 0.000 0.946 575 E CA 0.020 56.383 56.400 -0.061 0.000 1.038 575 E CB 1.179 30.847 29.700 -0.053 0.000 1.069 575 E HN 0.444 nan 8.360 nan 0.000 0.503 576 S N -0.089 115.622 115.700 0.019 0.000 2.579 576 S HA 0.302 4.772 4.470 -0.000 0.000 0.272 576 S C -2.453 172.177 174.600 0.050 0.000 1.141 576 S CA -1.429 56.790 58.200 0.033 0.000 0.843 576 S CB 1.416 64.641 63.200 0.042 0.000 1.122 576 S HN -0.279 nan 8.310 nan 0.000 0.468 577 P HA 0.029 nan 4.420 nan 0.000 0.226 577 P C 0.203 177.535 177.300 0.054 0.000 1.153 577 P CA 0.834 63.960 63.100 0.043 0.000 0.777 577 P CB 0.111 31.828 31.700 0.029 0.000 0.794 578 D N -0.836 119.597 120.400 0.055 0.000 2.110 578 D HA -0.064 4.575 4.640 -0.000 0.000 0.202 578 D C 0.247 176.595 176.300 0.079 0.000 0.975 578 D CA 0.904 54.937 54.000 0.054 0.000 0.839 578 D CB -1.111 39.716 40.800 0.045 0.000 0.996 578 D HN 0.100 nan 8.370 nan 0.000 0.464 579 D N 1.841 122.315 120.400 0.124 0.000 2.877 579 D HA -0.051 4.589 4.640 -0.000 0.000 0.220 579 D C 0.090 176.501 176.300 0.185 0.000 1.089 579 D CA 0.982 55.115 54.000 0.222 0.000 0.811 579 D CB 0.323 41.356 40.800 0.389 0.000 1.162 579 D HN 0.188 nan 8.370 nan 0.000 0.513 580 E N 2.035 122.237 120.200 0.005 0.000 2.222 580 E HA 0.335 4.685 4.350 -0.000 0.000 0.267 580 E C -2.384 173.855 176.600 -0.601 0.000 0.884 580 E CA -2.099 54.209 56.400 -0.152 0.000 0.764 580 E CB 1.714 31.354 29.700 -0.100 0.000 1.169 580 E HN 0.102 nan 8.360 nan 0.000 0.413 581 P HA 0.024 nan 4.420 nan 0.000 0.261 581 P C -2.377 174.600 177.300 -0.537 0.000 1.203 581 P CA -0.713 61.819 63.100 -0.947 0.000 0.767 581 P CB -0.206 31.308 31.700 -0.310 0.000 0.785 582 P HA 0.010 nan 4.420 nan 0.000 0.269 582 P C -0.420 176.802 177.300 -0.130 0.000 1.215 582 P CA -0.141 62.819 63.100 -0.233 0.000 0.780 582 P CB 0.788 32.396 31.700 -0.154 0.000 0.898 583 Q N 1.485 121.238 119.800 -0.078 0.000 2.293 583 Q HA 0.272 4.612 4.340 -0.000 0.000 0.251 583 Q C -0.474 175.522 176.000 -0.006 0.000 0.930 583 Q CA -0.579 55.198 55.803 -0.042 0.000 0.893 583 Q CB 0.422 29.137 28.738 -0.038 0.000 1.215 583 Q HN 0.419 nan 8.270 nan 0.000 0.425 584 L N 2.787 124.015 121.223 0.010 0.000 2.397 584 L HA 0.271 4.611 4.340 -0.000 0.000 0.271 584 L C 0.053 176.944 176.870 0.034 0.000 1.148 584 L CA -0.199 54.674 54.840 0.054 0.000 0.825 584 L CB 1.137 43.231 42.059 0.060 0.000 1.117 584 L HN 0.756 nan 8.230 nan 0.000 0.456 585 S N -0.471 115.281 115.700 0.087 0.000 2.599 585 S HA 0.528 4.998 4.470 -0.000 0.000 0.294 585 S C -0.290 174.393 174.600 0.138 0.000 1.094 585 S CA -0.881 57.358 58.200 0.066 0.000 0.931 585 S CB 1.673 64.907 63.200 0.057 0.000 1.093 585 S HN 0.652 nan 8.310 nan 0.000 0.488 586 T N 0.701 115.313 114.554 0.097 0.000 2.946 586 T HA 0.344 4.694 4.350 -0.000 0.000 0.311 586 T C 0.062 174.888 174.700 0.210 0.000 1.063 586 T CA -0.416 61.782 62.100 0.164 0.000 1.139 586 T CB -0.464 68.452 68.868 0.081 0.000 0.994 586 T HN 0.556 nan 8.240 nan 0.000 0.547 587 L N 4.713 126.107 121.223 0.286 0.000 2.325 587 L HA 0.494 4.834 4.340 -0.000 0.000 0.279 587 L C -1.704 175.225 176.870 0.098 0.000 1.054 587 L CA -2.499 52.424 54.840 0.138 0.000 0.804 587 L CB 1.522 43.584 42.059 0.005 0.000 1.200 587 L HN 0.577 nan 8.230 nan 0.000 0.436 588 P HA 0.147 nan 4.420 nan 0.000 0.279 588 P C -0.761 176.581 177.300 0.070 0.000 1.252 588 P CA -0.465 62.674 63.100 0.066 0.000 0.811 588 P CB 0.974 32.707 31.700 0.055 0.000 1.035 589 T N 2.535 117.137 114.554 0.079 0.000 2.794 589 T HA 0.280 4.630 4.350 -0.000 0.000 0.296 589 T C 0.454 175.223 174.700 0.114 0.000 0.949 589 T CA -0.039 62.125 62.100 0.107 0.000 1.101 589 T CB -0.155 68.771 68.868 0.096 0.000 0.905 589 T HN 0.167 nan 8.240 nan 0.000 0.516 590 I N 3.964 124.615 120.570 0.136 0.000 2.353 590 I HA 0.397 4.567 4.170 -0.000 0.000 0.293 590 I C -0.071 176.138 176.117 0.154 0.000 0.992 590 I CA -0.677 60.705 61.300 0.136 0.000 1.268 590 I CB 1.397 39.491 38.000 0.156 0.000 1.387 590 I HN 0.282 nan 8.210 nan 0.000 0.478 591 V N 6.868 126.848 119.914 0.109 0.000 2.531 591 V HA 0.375 4.495 4.120 -0.000 0.000 0.301 591 V C -0.111 176.020 176.094 0.061 0.000 1.034 591 V CA -0.698 61.660 62.300 0.096 0.000 0.865 591 V CB 2.438 34.287 31.823 0.043 0.000 0.995 591 V HN 0.434 nan 8.190 nan 0.000 0.424 592 V N 5.855 125.812 119.914 0.073 0.000 2.347 592 V HA 0.513 4.632 4.120 -0.000 0.000 0.280 592 V C -0.096 176.010 176.094 0.020 0.000 1.021 592 V CA -0.633 61.693 62.300 0.044 0.000 0.847 592 V CB 1.672 33.532 31.823 0.061 0.000 0.990 592 V HN 0.727 nan 8.190 nan 0.000 0.444 593 V N 3.995 123.902 119.914 -0.011 0.000 2.417 593 V HA 0.768 4.888 4.120 -0.000 0.000 0.291 593 V C -0.492 175.599 176.094 -0.005 0.000 1.024 593 V CA -0.538 61.752 62.300 -0.017 0.000 0.861 593 V CB 1.769 33.558 31.823 -0.056 0.000 0.985 593 V HN 0.472 nan 8.190 nan 0.000 0.436 594 V N 4.852 124.779 119.914 0.023 0.000 2.313 594 V HA 0.310 4.429 4.120 -0.000 0.000 0.278 594 V C 1.035 177.188 176.094 0.099 0.000 1.017 594 V CA -0.039 62.298 62.300 0.060 0.000 0.823 594 V CB 0.744 32.623 31.823 0.092 0.000 1.010 594 V HN 1.061 nan 8.190 nan 0.000 0.443 595 D N 3.784 124.224 120.400 0.065 0.000 2.116 595 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 595 D C 1.015 177.371 176.300 0.093 0.000 0.998 595 D CA 1.640 55.679 54.000 0.065 0.000 0.836 595 D CB 0.450 41.270 40.800 0.034 0.000 0.951 595 D HN 0.650 nan 8.370 nan 0.000 0.449 596 E N -0.664 119.590 120.200 0.089 0.000 3.386 596 E HA 0.111 4.461 4.350 -0.000 0.000 0.236 596 E C 0.337 176.968 176.600 0.052 0.000 1.227 596 E CA -0.489 55.938 56.400 0.045 0.000 0.970 596 E CB -0.894 28.803 29.700 -0.005 0.000 1.343 596 E HN 0.225 nan 8.360 nan 0.000 0.397 597 F N 1.207 121.162 119.950 0.008 0.000 2.373 597 F HA 0.053 4.580 4.527 -0.000 0.000 0.300 597 F C 1.483 177.286 175.800 0.004 0.000 1.080 597 F CA 0.965 58.968 58.000 0.005 0.000 1.417 597 F CB -0.220 38.784 39.000 0.007 0.000 1.070 597 F HN 0.326 nan 8.300 nan 0.000 0.546 598 A N 0.518 123.037 122.820 -0.501 0.000 1.968 598 A HA -0.110 4.209 4.320 -0.000 0.000 0.217 598 A C 1.955 179.454 177.584 -0.142 0.000 1.169 598 A CA 1.558 53.370 52.037 -0.376 0.000 0.638 598 A CB -0.770 17.995 19.000 -0.390 0.000 0.812 598 A HN 0.410 nan 8.150 nan 0.000 0.446 599 D N -0.769 119.575 120.400 -0.093 0.000 2.149 599 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 599 D C 1.907 178.203 176.300 -0.007 0.000 0.972 599 D CA 1.123 55.099 54.000 -0.040 0.000 0.835 599 D CB -0.272 40.513 40.800 -0.026 0.000 0.966 599 D HN 0.467 nan 8.370 nan 0.000 0.476 600 M N -0.133 119.481 119.600 0.023 0.000 2.117 600 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 600 M C 2.126 178.451 176.300 0.041 0.000 1.065 600 M CA 1.162 56.489 55.300 0.044 0.000 1.114 600 M CB 0.018 32.667 32.600 0.081 0.000 1.361 600 M HN -0.043 nan 8.290 nan 0.000 0.408 601 M N -0.638 118.993 119.600 0.051 0.000 2.117 601 M HA -0.285 4.195 4.480 -0.000 0.000 0.262 601 M C 2.372 178.680 176.300 0.015 0.000 1.065 601 M CA 1.790 57.117 55.300 0.045 0.000 1.114 601 M CB -0.502 32.131 32.600 0.055 0.000 1.361 601 M HN 0.457 nan 8.290 nan 0.000 0.408 602 M N 0.557 120.154 119.600 -0.005 0.000 2.086 602 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 602 M C 1.966 178.264 176.300 -0.003 0.000 1.067 602 M CA 1.915 57.209 55.300 -0.010 0.000 1.116 602 M CB -0.144 32.443 32.600 -0.022 0.000 1.348 602 M HN 0.202 nan 8.290 nan 0.000 0.407 603 I N -0.736 119.834 120.570 0.000 0.000 2.286 603 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 603 I C 2.105 178.226 176.117 0.006 0.000 1.104 603 I CA 0.831 62.132 61.300 0.002 0.000 1.397 603 I CB -0.219 37.782 38.000 0.003 0.000 1.072 603 I HN 0.156 nan 8.210 nan 0.000 0.417 604 V N -0.213 119.708 119.914 0.011 0.000 2.492 604 V HA 0.313 4.433 4.120 -0.000 0.000 0.241 604 V C 1.027 177.128 176.094 0.012 0.000 1.041 604 V CA 1.089 63.396 62.300 0.013 0.000 1.057 604 V CB -0.497 31.337 31.823 0.018 0.000 0.711 604 V HN 0.666 nan 8.190 nan 0.000 0.468 605 G N 0.661 109.470 108.800 0.015 0.000 2.362 605 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.517 605 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.517 605 G C 0.463 175.374 174.900 0.018 0.000 1.256 605 G CA 0.008 45.117 45.100 0.014 0.000 1.027 605 G HN 0.342 nan 8.290 nan 0.000 0.491 606 K N 0.172 120.580 120.400 0.013 0.000 2.228 606 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 606 K C 1.972 178.580 176.600 0.013 0.000 1.045 606 K CA 1.878 58.173 56.287 0.014 0.000 0.931 606 K CB -0.161 32.344 32.500 0.008 0.000 0.727 606 K HN 0.435 nan 8.250 nan 0.000 0.458 607 K N 0.942 121.349 120.400 0.011 0.000 2.209 607 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 607 K C 2.033 178.640 176.600 0.012 0.000 1.048 607 K CA 1.151 57.443 56.287 0.008 0.000 0.940 607 K CB -0.069 32.436 32.500 0.008 0.000 0.729 607 K HN 0.010 nan 8.250 nan 0.000 0.451 608 V N 1.521 121.448 119.914 0.023 0.000 2.261 608 V HA -0.271 3.848 4.120 -0.000 0.000 0.246 608 V C 2.342 178.450 176.094 0.024 0.000 1.047 608 V CA 1.985 64.304 62.300 0.031 0.000 1.015 608 V CB -0.432 31.425 31.823 0.056 0.000 0.642 608 V HN 0.412 nan 8.190 nan 0.000 0.446 609 E N 0.286 120.506 120.200 0.033 0.000 2.070 609 E HA -0.295 4.055 4.350 -0.000 0.000 0.197 609 E C 2.152 178.748 176.600 -0.007 0.000 1.004 609 E CA 1.956 58.370 56.400 0.023 0.000 0.805 609 E CB -0.134 29.587 29.700 0.036 0.000 0.744 609 E HN 0.732 nan 8.360 nan 0.000 0.451 610 E N 0.355 120.552 120.200 -0.006 0.000 2.077 610 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 610 E C 2.334 178.916 176.600 -0.030 0.000 0.989 610 E CA 1.145 57.534 56.400 -0.018 0.000 0.800 610 E CB -0.091 29.601 29.700 -0.013 0.000 0.746 610 E HN 0.339 nan 8.360 nan 0.000 0.452 611 L N 0.823 122.032 121.223 -0.023 0.000 2.027 611 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 611 L C 2.451 179.289 176.870 -0.053 0.000 1.074 611 L CA 0.610 55.432 54.840 -0.030 0.000 0.745 611 L CB -0.346 41.706 42.059 -0.012 0.000 0.898 611 L HN 0.204 nan 8.230 nan 0.000 0.433 612 I N 0.341 120.875 120.570 -0.060 0.000 2.151 612 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 612 I C 2.847 178.884 176.117 -0.133 0.000 1.080 612 I CA 1.812 63.048 61.300 -0.107 0.000 1.339 612 I CB -1.339 36.587 38.000 -0.124 0.000 1.039 612 I HN 0.235 nan 8.210 nan 0.000 0.409 613 A N 0.646 123.407 122.820 -0.099 0.000 1.940 613 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 613 A C 2.505 180.029 177.584 -0.100 0.000 1.176 613 A CA 2.046 54.025 52.037 -0.097 0.000 0.631 613 A CB -0.678 18.284 19.000 -0.063 0.000 0.814 613 A HN 0.402 nan 8.150 nan 0.000 0.446 614 R N -0.422 120.027 120.500 -0.085 0.000 2.075 614 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 614 R C 1.879 178.123 176.300 -0.092 0.000 1.126 614 R CA 1.570 57.623 56.100 -0.079 0.000 0.963 614 R CB -0.286 29.976 30.300 -0.063 0.000 0.858 614 R HN 0.437 nan 8.270 nan 0.000 0.435 615 I N 1.034 121.540 120.570 -0.107 0.000 2.113 615 I HA -0.190 3.980 4.170 -0.000 0.000 0.238 615 I C 2.434 178.435 176.117 -0.194 0.000 1.070 615 I CA 1.683 62.913 61.300 -0.117 0.000 1.332 615 I CB -1.507 36.420 38.000 -0.121 0.000 1.044 615 I HN 0.321 nan 8.210 nan 0.000 0.402 616 A N -0.027 122.582 122.820 -0.352 0.000 2.076 616 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 616 A C 2.235 179.701 177.584 -0.197 0.000 1.160 616 A CA 1.465 53.157 52.037 -0.576 0.000 0.653 616 A CB -0.608 18.085 19.000 -0.512 0.000 0.801 616 A HN 0.526 nan 8.150 nan 0.000 0.455 617 Q N -0.690 119.043 119.800 -0.112 0.000 2.389 617 Q HA 0.025 4.365 4.340 -0.000 0.000 0.204 617 Q C 1.493 177.481 176.000 -0.020 0.000 0.944 617 Q CA 1.491 57.263 55.803 -0.051 0.000 0.908 617 Q CB 0.069 28.769 28.738 -0.063 0.000 1.002 617 Q HN 0.745 nan 8.270 nan 0.000 0.493 618 K N -1.981 118.414 120.400 -0.009 0.000 2.567 618 K HA 0.259 4.579 4.320 -0.000 0.000 0.218 618 K C 1.533 178.220 176.600 0.145 0.000 1.440 618 K CA 0.660 56.948 56.287 0.003 0.000 0.995 618 K CB 0.281 32.709 32.500 -0.120 0.000 1.186 618 K HN 0.021 nan 8.250 nan 0.000 0.593 619 A N 1.968 124.867 122.820 0.132 0.000 1.978 619 A HA -0.203 4.116 4.320 -0.000 0.000 0.220 619 A C 1.955 179.549 177.584 0.017 0.000 1.170 619 A CA 1.560 53.669 52.037 0.119 0.000 0.636 619 A CB -0.540 18.514 19.000 0.091 0.000 0.810 619 A HN 0.374 nan 8.150 nan 0.000 0.448 620 R N -0.200 120.319 120.500 0.032 0.000 2.171 620 R HA -0.256 4.084 4.340 -0.000 0.000 0.232 620 R C 2.250 178.510 176.300 -0.066 0.000 1.116 620 R CA 2.302 58.345 56.100 -0.094 0.000 0.901 620 R CB -0.720 29.590 30.300 0.015 0.000 0.850 620 R HN 0.422 nan 8.270 nan 0.000 0.431 621 A N 0.126 122.962 122.820 0.026 0.000 2.042 621 A HA -0.169 4.150 4.320 -0.000 0.000 0.222 621 A C 2.216 179.655 177.584 -0.242 0.000 1.167 621 A CA 2.011 54.021 52.037 -0.045 0.000 0.649 621 A CB -0.737 18.293 19.000 0.049 0.000 0.809 621 A HN 0.670 nan 8.150 nan 0.000 0.457 622 A N -2.173 120.434 122.820 -0.355 0.000 2.208 622 A HA 0.411 4.730 4.320 -0.000 0.000 0.209 622 A C 1.823 179.268 177.584 -0.231 0.000 1.161 622 A CA 1.196 52.971 52.037 -0.438 0.000 0.782 622 A CB -0.784 17.933 19.000 -0.471 0.000 0.816 622 A HN 1.945 nan 8.150 nan 0.000 0.477 623 G N -1.347 107.353 108.800 -0.167 0.000 2.132 623 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.234 623 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.234 623 G C -0.095 174.755 174.900 -0.085 0.000 0.989 623 G CA 0.275 45.354 45.100 -0.035 0.000 0.676 623 G HN 0.399 nan 8.290 nan 0.000 0.522 624 I N 0.957 121.353 120.570 -0.290 0.000 2.377 624 I HA 0.650 4.820 4.170 -0.000 0.000 0.293 624 I C 0.095 175.973 176.117 -0.400 0.000 0.987 624 I CA -0.911 60.294 61.300 -0.158 0.000 1.185 624 I CB 1.537 39.504 38.000 -0.057 0.000 1.341 624 I HN 0.184 nan 8.210 nan 0.000 0.455 625 H N 5.400 124.515 119.070 0.075 0.000 2.768 625 H HA 0.622 5.178 4.556 -0.000 0.000 0.371 625 H C -1.253 174.170 175.328 0.159 0.000 1.151 625 H CA -0.800 55.291 56.048 0.072 0.000 1.165 625 H CB 1.577 31.300 29.762 -0.065 0.000 1.722 625 H HN 0.235 nan 8.280 nan 0.000 0.543 626 L N 3.016 124.507 121.223 0.447 0.000 2.309 626 L HA 0.374 4.714 4.340 -0.000 0.000 0.282 626 L C -0.722 176.231 176.870 0.139 0.000 1.036 626 L CA -0.436 54.540 54.840 0.228 0.000 0.806 626 L CB 1.094 43.226 42.059 0.122 0.000 1.220 626 L HN 0.601 nan 8.230 nan 0.000 0.429 627 I N 5.732 126.336 120.570 0.057 0.000 2.448 627 I HA 0.335 4.504 4.170 -0.000 0.000 0.281 627 I C -0.677 175.440 176.117 -0.001 0.000 1.027 627 I CA -0.284 61.035 61.300 0.032 0.000 1.111 627 I CB 1.346 39.359 38.000 0.022 0.000 1.236 627 I HN 0.359 nan 8.210 nan 0.000 0.452 628 L N 5.558 126.755 121.223 -0.043 0.000 2.305 628 L HA 0.782 5.122 4.340 -0.000 0.000 0.284 628 L C 0.192 177.134 176.870 0.121 0.000 1.013 628 L CA -0.462 54.316 54.840 -0.104 0.000 0.819 628 L CB 1.917 43.618 42.059 -0.596 0.000 1.227 628 L HN 0.630 nan 8.230 nan 0.000 0.417 629 A N 2.278 125.282 122.820 0.307 0.000 2.380 629 A HA 0.913 5.232 4.320 -0.000 0.000 0.315 629 A C -0.513 177.280 177.584 0.349 0.000 1.101 629 A CA -0.541 51.688 52.037 0.319 0.000 0.771 629 A CB 2.212 21.322 19.000 0.185 0.000 1.287 629 A HN 0.554 nan 8.150 nan 0.000 0.436 630 T N -0.504 114.165 114.554 0.191 0.000 2.886 630 T HA 0.382 4.732 4.350 -0.000 0.000 0.330 630 T C -0.414 174.290 174.700 0.006 0.000 1.488 630 T CA -0.308 61.781 62.100 -0.018 0.000 1.054 630 T CB 1.443 70.110 68.868 -0.335 0.000 1.348 630 T HN 0.616 nan 8.240 nan 0.000 0.489 631 Q N 0.959 120.737 119.800 -0.036 0.000 2.282 631 Q HA 0.285 4.625 4.340 -0.000 0.000 0.206 631 Q C 0.520 176.501 176.000 -0.032 0.000 0.878 631 Q CA 0.111 55.907 55.803 -0.012 0.000 0.944 631 Q CB 0.671 29.400 28.738 -0.015 0.000 1.100 631 Q HN 0.285 nan 8.270 nan 0.000 0.509 632 R N 1.828 122.281 120.500 -0.078 0.000 3.301 632 R HA 0.215 4.555 4.340 -0.000 0.000 0.286 632 R C -2.493 173.759 176.300 -0.081 0.000 1.386 632 R CA -1.626 54.425 56.100 -0.082 0.000 1.607 632 R CB 0.611 30.843 30.300 -0.114 0.000 1.305 632 R HN -0.045 nan 8.270 nan 0.000 0.637 633 P HA -0.011 nan 4.420 nan 0.000 0.249 633 P C -0.475 176.823 177.300 -0.003 0.000 1.737 633 P CA 0.189 63.288 63.100 -0.002 0.000 1.128 633 P CB 0.415 32.132 31.700 0.028 0.000 1.942 634 S N -0.169 115.520 115.700 -0.018 0.000 2.689 634 S HA 0.341 4.811 4.470 -0.000 0.000 0.306 634 S C 1.092 175.695 174.600 0.004 0.000 1.104 634 S CA -0.750 57.444 58.200 -0.009 0.000 0.973 634 S CB 0.954 64.141 63.200 -0.022 0.000 1.121 634 S HN -0.039 nan 8.310 nan 0.000 0.523 635 V N 1.280 121.198 119.914 0.006 0.000 2.594 635 V HA -0.127 3.993 4.120 -0.000 0.000 0.253 635 V C 1.746 177.849 176.094 0.015 0.000 1.069 635 V CA 2.047 64.356 62.300 0.014 0.000 1.082 635 V CB -0.929 30.899 31.823 0.009 0.000 0.680 635 V HN 0.831 nan 8.190 nan 0.000 0.469 636 D N -0.278 120.124 120.400 0.004 0.000 2.224 636 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 636 D C 2.002 178.305 176.300 0.006 0.000 0.965 636 D CA 0.989 54.990 54.000 0.002 0.000 0.852 636 D CB 0.246 41.039 40.800 -0.011 0.000 0.947 636 D HN 0.401 nan 8.370 nan 0.000 0.494 637 V N 0.892 120.802 119.914 -0.007 0.000 2.484 637 V HA 0.045 4.165 4.120 -0.000 0.000 0.236 637 V C 1.379 177.554 176.094 0.135 0.000 1.062 637 V CA 0.308 62.596 62.300 -0.021 0.000 1.081 637 V CB 0.223 31.935 31.823 -0.186 0.000 0.751 637 V HN 0.038 nan 8.190 nan 0.000 0.484 638 I N 2.957 123.607 120.570 0.135 0.000 2.268 638 I HA 0.099 4.269 4.170 -0.000 0.000 0.298 638 I C 0.912 177.097 176.117 0.114 0.000 1.185 638 I CA -0.019 61.406 61.300 0.208 0.000 1.548 638 I CB -0.480 37.621 38.000 0.170 0.000 1.492 638 I HN 0.402 nan 8.210 nan 0.000 0.711 639 T N 0.395 115.015 114.554 0.109 0.000 2.788 639 T HA 0.274 4.623 4.350 -0.000 0.000 0.280 639 T C 1.544 176.268 174.700 0.039 0.000 0.984 639 T CA -0.104 62.032 62.100 0.061 0.000 0.972 639 T CB 1.679 70.580 68.868 0.054 0.000 1.039 639 T HN 0.483 nan 8.240 nan 0.000 0.530 640 G N -0.176 108.638 108.800 0.023 0.000 2.418 640 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.217 640 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.217 640 G C 1.462 176.363 174.900 0.002 0.000 1.158 640 G CA 0.577 45.683 45.100 0.010 0.000 0.771 640 G HN 0.682 nan 8.290 nan 0.000 0.545 641 L N 0.295 121.520 121.223 0.002 0.000 1.989 641 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 641 L C 2.907 179.763 176.870 -0.024 0.000 1.071 641 L CA 0.804 55.638 54.840 -0.011 0.000 0.749 641 L CB -0.320 41.735 42.059 -0.007 0.000 0.890 641 L HN 0.148 nan 8.230 nan 0.000 0.431 642 I N 0.110 120.672 120.570 -0.012 0.000 2.127 642 I HA -0.309 3.860 4.170 -0.000 0.000 0.241 642 I C 2.466 178.553 176.117 -0.050 0.000 1.075 642 I CA 1.688 62.961 61.300 -0.044 0.000 1.334 642 I CB -1.090 36.907 38.000 -0.006 0.000 1.040 642 I HN 0.322 nan 8.210 nan 0.000 0.405 643 K N 0.925 121.317 120.400 -0.014 0.000 2.148 643 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 643 K C 2.220 178.810 176.600 -0.016 0.000 1.050 643 K CA 1.163 57.444 56.287 -0.010 0.000 0.942 643 K CB -0.214 32.291 32.500 0.008 0.000 0.724 643 K HN 0.279 nan 8.250 nan 0.000 0.446 644 A N 2.376 125.184 122.820 -0.020 0.000 1.923 644 A HA -0.281 4.038 4.320 -0.000 0.000 0.222 644 A C 1.244 178.818 177.584 -0.017 0.000 1.258 644 A CA 2.478 54.503 52.037 -0.019 0.000 0.670 644 A CB -0.591 18.393 19.000 -0.026 0.000 0.834 644 A HN 0.465 nan 8.150 nan 0.000 0.470 645 N N -1.719 116.964 118.700 -0.028 0.000 2.351 645 N HA 0.413 5.152 4.740 -0.000 0.000 0.254 645 N C -0.782 174.744 175.510 0.026 0.000 1.241 645 N CA -0.046 53.002 53.050 -0.004 0.000 0.883 645 N CB 0.924 39.403 38.487 -0.013 0.000 1.202 645 N HN 0.394 nan 8.380 nan 0.000 0.512 646 I N 1.540 122.117 120.570 0.011 0.000 2.697 646 I HA 0.240 4.409 4.170 -0.000 0.000 0.279 646 I C -1.562 174.575 176.117 0.035 0.000 1.171 646 I CA -1.623 59.704 61.300 0.045 0.000 1.135 646 I CB 1.373 39.368 38.000 -0.008 0.000 1.445 646 I HN -0.056 nan 8.210 nan 0.000 0.541 647 P HA -0.047 nan 4.420 nan 0.000 0.221 647 P C 0.541 177.841 177.300 -0.001 0.000 1.150 647 P CA 0.900 64.009 63.100 0.015 0.000 0.800 647 P CB 0.043 31.753 31.700 0.016 0.000 0.787 648 T N 3.057 117.624 114.554 0.021 0.000 2.780 648 T HA 0.321 4.671 4.350 -0.000 0.000 0.294 648 T C 0.321 175.035 174.700 0.023 0.000 0.949 648 T CA -0.289 61.818 62.100 0.010 0.000 1.074 648 T CB 0.615 69.524 68.868 0.067 0.000 0.910 648 T HN 0.004 nan 8.240 nan 0.000 0.501 649 R N 2.678 123.171 120.500 -0.011 0.000 2.686 649 R HA 0.607 4.946 4.340 -0.000 0.000 0.283 649 R C -1.241 175.073 176.300 0.023 0.000 0.978 649 R CA -0.885 55.220 56.100 0.009 0.000 0.897 649 R CB 1.814 32.106 30.300 -0.013 0.000 1.192 649 R HN 0.454 nan 8.270 nan 0.000 0.457 650 I N 1.182 121.765 120.570 0.023 0.000 2.465 650 I HA 0.537 4.706 4.170 -0.000 0.000 0.291 650 I C -0.629 175.407 176.117 -0.136 0.000 1.014 650 I CA -0.297 60.974 61.300 -0.049 0.000 1.093 650 I CB 2.147 40.088 38.000 -0.098 0.000 1.267 650 I HN 0.767 nan 8.210 nan 0.000 0.431 651 A N 6.196 128.890 122.820 -0.211 0.000 2.353 651 A HA 0.774 5.094 4.320 -0.000 0.000 0.299 651 A C -0.995 176.444 177.584 -0.242 0.000 1.089 651 A CA -0.366 51.580 52.037 -0.152 0.000 0.736 651 A CB 0.359 19.330 19.000 -0.049 0.000 1.195 651 A HN 0.442 nan 8.150 nan 0.000 0.447 652 F N 0.377 120.355 119.950 0.046 0.000 2.251 652 F HA 0.399 4.925 4.527 -0.000 0.000 0.302 652 F C 1.292 177.111 175.800 0.031 0.000 1.143 652 F CA -0.058 57.967 58.000 0.041 0.000 1.104 652 F CB 0.519 39.542 39.000 0.037 0.000 1.516 652 F HN 0.640 nan 8.300 nan 0.000 0.511 653 Q N 1.368 121.319 119.800 0.251 0.000 2.300 653 Q HA 0.388 4.727 4.340 -0.000 0.000 0.280 653 Q C -1.085 174.973 176.000 0.097 0.000 1.033 653 Q CA -0.344 55.535 55.803 0.126 0.000 0.903 653 Q CB 0.672 29.462 28.738 0.086 0.000 1.195 653 Q HN 0.543 nan 8.270 nan 0.000 0.386 654 V N 0.724 120.677 119.914 0.064 0.000 3.046 654 V HA 0.398 4.518 4.120 -0.000 0.000 0.316 654 V C 0.628 176.739 176.094 0.028 0.000 1.104 654 V CA -0.522 61.806 62.300 0.046 0.000 1.006 654 V CB 1.750 33.598 31.823 0.042 0.000 1.058 654 V HN 0.869 nan 8.190 nan 0.000 0.440 655 S N 1.292 117.003 115.700 0.019 0.000 2.399 655 S HA 0.020 4.490 4.470 -0.000 0.000 0.231 655 S C 0.832 175.437 174.600 0.009 0.000 1.022 655 S CA 1.307 59.513 58.200 0.010 0.000 0.983 655 S CB -0.375 62.828 63.200 0.005 0.000 0.803 655 S HN 1.377 nan 8.310 nan 0.000 0.480 656 S N -0.894 114.812 115.700 0.010 0.000 2.625 656 S HA 0.485 4.955 4.470 -0.000 0.000 0.271 656 S C 0.009 174.613 174.600 0.007 0.000 1.161 656 S CA -1.028 57.176 58.200 0.007 0.000 0.820 656 S CB 1.367 64.569 63.200 0.003 0.000 1.137 656 S HN -0.024 nan 8.310 nan 0.000 0.470 657 K N -0.127 120.275 120.400 0.004 0.000 2.103 657 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 657 K C 1.522 178.124 176.600 0.004 0.000 1.048 657 K CA 1.698 57.987 56.287 0.003 0.000 0.930 657 K CB -0.681 31.819 32.500 -0.000 0.000 0.716 657 K HN 0.516 nan 8.250 nan 0.000 0.444 658 I N 1.862 122.434 120.570 0.003 0.000 2.099 658 I HA -0.290 3.879 4.170 -0.000 0.000 0.239 658 I C 1.769 177.890 176.117 0.006 0.000 1.066 658 I CA 1.645 62.947 61.300 0.003 0.000 1.324 658 I CB -0.520 37.481 38.000 0.002 0.000 1.037 658 I HN 0.070 nan 8.210 nan 0.000 0.401 659 D N -0.067 120.338 120.400 0.008 0.000 2.116 659 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 659 D C 2.415 178.725 176.300 0.016 0.000 0.998 659 D CA 1.725 55.732 54.000 0.012 0.000 0.836 659 D CB -0.564 40.244 40.800 0.013 0.000 0.951 659 D HN 0.241 nan 8.370 nan 0.000 0.449 660 S N -0.159 115.550 115.700 0.014 0.000 2.365 660 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 660 S C 1.891 176.496 174.600 0.009 0.000 1.039 660 S CA 1.199 59.407 58.200 0.013 0.000 1.033 660 S CB -0.025 63.181 63.200 0.009 0.000 0.887 660 S HN 0.182 nan 8.310 nan 0.000 0.447 661 R N -0.177 120.327 120.500 0.007 0.000 2.120 661 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 661 R C 2.440 178.746 176.300 0.010 0.000 1.123 661 R CA 1.663 57.766 56.100 0.005 0.000 0.975 661 R CB -0.908 29.394 30.300 0.003 0.000 0.866 661 R HN 0.403 nan 8.270 nan 0.000 0.446 662 T N 1.439 116.002 114.554 0.015 0.000 2.720 662 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 662 T C 1.661 176.381 174.700 0.033 0.000 1.037 662 T CA 1.005 63.118 62.100 0.023 0.000 1.144 662 T CB -0.033 68.849 68.868 0.024 0.000 0.864 662 T HN 0.119 nan 8.240 nan 0.000 0.444 663 I N 0.061 120.651 120.570 0.033 0.000 2.731 663 I HA 0.201 4.370 4.170 -0.000 0.000 0.260 663 I C 1.487 177.616 176.117 0.019 0.000 1.138 663 I CA 1.109 62.433 61.300 0.041 0.000 1.461 663 I CB -0.262 37.768 38.000 0.050 0.000 1.128 663 I HN 0.236 nan 8.210 nan 0.000 0.438 664 L N 0.083 121.310 121.223 0.006 0.000 2.590 664 L HA 0.146 4.486 4.340 -0.000 0.000 0.227 664 L C -0.135 176.727 176.870 -0.013 0.000 1.099 664 L CA 0.075 54.908 54.840 -0.011 0.000 0.872 664 L CB -0.021 42.026 42.059 -0.019 0.000 1.088 664 L HN 0.110 nan 8.230 nan 0.000 0.479 665 D N 1.521 121.919 120.400 -0.004 0.000 2.746 665 D HA -0.224 4.415 4.640 -0.000 0.000 0.236 665 D C 0.153 176.448 176.300 -0.009 0.000 1.129 665 D CA 0.951 54.948 54.000 -0.005 0.000 0.691 665 D CB -0.824 39.971 40.800 -0.008 0.000 1.077 665 D HN 0.560 nan 8.370 nan 0.000 0.432 666 Q N -1.251 118.544 119.800 -0.008 0.000 2.686 666 Q HA 0.458 4.798 4.340 -0.000 0.000 0.266 666 Q C -0.585 175.410 176.000 -0.007 0.000 0.965 666 Q CA -0.344 55.453 55.803 -0.010 0.000 0.894 666 Q CB 0.814 29.541 28.738 -0.018 0.000 1.583 666 Q HN 0.138 nan 8.270 nan 0.000 0.405 667 G N -0.192 108.604 108.800 -0.006 0.000 2.562 667 G HA2 0.597 4.556 3.960 -0.000 0.000 0.275 667 G HA3 0.597 4.556 3.960 -0.000 0.000 0.275 667 G C 0.641 175.540 174.900 -0.003 0.000 1.196 667 G CA 0.415 45.514 45.100 -0.003 0.000 0.908 667 G HN 1.272 nan 8.290 nan 0.000 0.524 668 G N -0.884 107.917 108.800 0.002 0.000 3.465 668 G HA2 0.110 4.070 3.960 -0.000 0.000 0.196 668 G HA3 0.110 4.070 3.960 -0.000 0.000 0.196 668 G C 1.538 176.445 174.900 0.012 0.000 1.170 668 G CA 0.849 45.952 45.100 0.005 0.000 0.887 668 G HN 1.621 nan 8.290 nan 0.000 0.444 669 A N 1.401 124.227 122.820 0.010 0.000 2.186 669 A HA 0.115 4.435 4.320 -0.000 0.000 0.219 669 A C 1.981 179.583 177.584 0.031 0.000 1.159 669 A CA 2.319 54.368 52.037 0.020 0.000 0.680 669 A CB -0.449 18.561 19.000 0.017 0.000 0.787 669 A HN 0.793 nan 8.150 nan 0.000 0.467 670 E N -0.505 119.709 120.200 0.023 0.000 2.371 670 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 670 E C 1.040 177.655 176.600 0.025 0.000 1.012 670 E CA 0.652 57.066 56.400 0.023 0.000 0.860 670 E CB -0.356 29.353 29.700 0.014 0.000 0.811 670 E HN 0.587 nan 8.360 nan 0.000 0.502 671 Q N 0.688 120.504 119.800 0.027 0.000 2.425 671 Q HA 0.235 4.575 4.340 -0.000 0.000 0.204 671 Q C 0.887 176.916 176.000 0.048 0.000 0.933 671 Q CA 0.008 55.831 55.803 0.032 0.000 0.939 671 Q CB 0.242 28.996 28.738 0.027 0.000 1.044 671 Q HN 0.358 nan 8.270 nan 0.000 0.513 672 L N 0.649 121.906 121.223 0.057 0.000 2.473 672 L HA 0.019 4.359 4.340 -0.000 0.000 0.268 672 L C 1.420 178.339 176.870 0.082 0.000 1.215 672 L CA -0.087 54.803 54.840 0.083 0.000 0.823 672 L CB 0.343 42.461 42.059 0.097 0.000 1.099 672 L HN 0.057 nan 8.230 nan 0.000 0.483 673 L N 1.514 122.801 121.223 0.108 0.000 2.591 673 L HA 0.230 4.570 4.340 -0.000 0.000 0.228 673 L C 1.061 177.965 176.870 0.056 0.000 1.133 673 L CA 0.308 55.202 54.840 0.089 0.000 0.880 673 L CB -0.733 41.395 42.059 0.115 0.000 1.033 673 L HN 0.963 nan 8.230 nan 0.000 0.450 674 G N -0.501 108.335 108.800 0.059 0.000 2.725 674 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 674 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 674 G C -0.164 174.756 174.900 0.034 0.000 1.357 674 G CA -0.429 44.648 45.100 -0.038 0.000 0.866 674 G HN 0.389 nan 8.290 nan 0.000 0.548 675 H N -0.765 118.336 119.070 0.053 0.000 2.626 675 H HA -0.148 4.408 4.556 -0.000 0.000 0.317 675 H C 2.078 177.460 175.328 0.090 0.000 1.140 675 H CA 2.832 58.909 56.048 0.048 0.000 1.134 675 H CB -1.500 28.284 29.762 0.037 0.000 1.486 675 H HN 2.716 nan 8.280 nan 0.000 0.417 676 G N -0.359 108.540 108.800 0.166 0.000 2.175 676 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 676 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 676 G C 0.050 175.215 174.900 0.442 0.000 0.982 676 G CA 0.284 45.536 45.100 0.254 0.000 0.641 676 G HN 0.640 nan 8.290 nan 0.000 0.527 677 D N 1.386 122.010 120.400 0.373 0.000 2.383 677 D HA 0.537 5.177 4.640 -0.000 0.000 0.252 677 D C 0.943 177.420 176.300 0.295 0.000 1.166 677 D CA 0.467 54.665 54.000 0.330 0.000 0.879 677 D CB 0.169 41.135 40.800 0.277 0.000 1.164 677 D HN 0.696 nan 8.370 nan 0.000 0.462 678 M N 1.767 121.433 119.600 0.110 0.000 2.667 678 M HA 0.524 5.004 4.480 -0.000 0.000 0.286 678 M C -1.770 174.472 176.300 -0.096 0.000 1.270 678 M CA -1.023 54.210 55.300 -0.111 0.000 0.826 678 M CB 1.833 34.130 32.600 -0.504 0.000 1.743 678 M HN 0.098 nan 8.290 nan 0.000 0.460 679 L N 2.483 123.635 121.223 -0.117 0.000 2.343 679 L HA 0.486 4.826 4.340 -0.000 0.000 0.278 679 L C -1.730 175.124 176.870 -0.026 0.000 0.996 679 L CA -0.765 54.043 54.840 -0.053 0.000 0.831 679 L CB 1.683 43.716 42.059 -0.044 0.000 1.232 679 L HN 0.711 nan 8.230 nan 0.000 0.413 680 Y N 5.185 125.415 120.300 -0.118 0.000 2.353 680 Y HA 0.505 5.055 4.550 -0.000 0.000 0.340 680 Y C -1.109 174.754 175.900 -0.062 0.000 0.972 680 Y CA -0.991 57.050 58.100 -0.099 0.000 1.157 680 Y CB 1.420 39.830 38.460 -0.083 0.000 1.157 680 Y HN 0.461 nan 8.280 nan 0.000 0.495 681 L N 10.787 131.750 121.223 -0.434 0.000 2.335 681 L HA 0.582 4.922 4.340 -0.000 0.000 0.268 681 L C -2.554 173.999 176.870 -0.528 0.000 1.037 681 L CA -2.464 52.115 54.840 -0.435 0.000 0.895 681 L CB 0.608 42.550 42.059 -0.196 0.000 1.266 681 L HN 0.480 nan 8.230 nan 0.000 0.439 682 P HA 0.271 nan 4.420 nan 0.000 0.274 682 P C -2.728 174.457 177.300 -0.193 0.000 1.256 682 P CA -1.345 61.506 63.100 -0.415 0.000 0.795 682 P CB -0.359 31.131 31.700 -0.350 0.000 1.038 683 P HA 0.129 nan 4.420 nan 0.000 0.269 683 P C 0.544 177.815 177.300 -0.049 0.000 1.215 683 P CA 0.995 64.063 63.100 -0.053 0.000 0.780 683 P CB -0.102 31.588 31.700 -0.016 0.000 0.898 684 G N 1.156 109.933 108.800 -0.038 0.000 2.685 684 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.387 684 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.387 684 G C -0.195 174.682 174.900 -0.038 0.000 1.324 684 G CA -0.438 44.644 45.100 -0.031 0.000 0.878 684 G HN 0.641 nan 8.290 nan 0.000 0.527 685 T N 0.260 114.796 114.554 -0.029 0.000 2.640 685 T HA 0.610 4.960 4.350 -0.000 0.000 0.316 685 T C 0.960 175.637 174.700 -0.039 0.000 1.036 685 T CA 2.061 64.143 62.100 -0.030 0.000 1.009 685 T CB 0.470 69.326 68.868 -0.021 0.000 1.017 685 T HN 2.573 nan 8.240 nan 0.000 0.530 686 G N 0.133 108.911 108.800 -0.037 0.000 3.055 686 G HA2 0.001 3.961 3.960 -0.000 0.000 0.685 686 G HA3 0.001 3.961 3.960 -0.000 0.000 0.685 686 G C -1.025 173.844 174.900 -0.052 0.000 1.212 686 G CA -1.137 43.938 45.100 -0.042 0.000 0.822 686 G HN 0.712 nan 8.290 nan 0.000 0.610 687 L N 3.548 124.745 121.223 -0.043 0.000 2.426 687 L HA 0.394 4.734 4.340 -0.000 0.000 0.271 687 L C -0.911 175.923 176.870 -0.061 0.000 1.169 687 L CA -1.614 53.199 54.840 -0.044 0.000 0.836 687 L CB 0.466 42.507 42.059 -0.029 0.000 1.112 687 L HN 0.482 nan 8.230 nan 0.000 0.465 688 P HA 0.043 nan 4.420 nan 0.000 0.268 688 P C -0.815 176.456 177.300 -0.050 0.000 1.208 688 P CA -0.125 62.923 63.100 -0.087 0.000 0.777 688 P CB 0.799 32.456 31.700 -0.072 0.000 0.875 689 I N 2.185 122.738 120.570 -0.027 0.000 2.304 689 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 689 I C 1.263 177.398 176.117 0.030 0.000 1.018 689 I CA -0.698 60.623 61.300 0.035 0.000 1.260 689 I CB 0.323 38.408 38.000 0.142 0.000 1.390 689 I HN 0.440 nan 8.210 nan 0.000 0.475 690 R N 5.617 126.104 120.500 -0.022 0.000 2.401 690 R HA 0.477 4.817 4.340 -0.000 0.000 0.299 690 R C -1.333 174.873 176.300 -0.157 0.000 1.064 690 R CA -0.098 55.954 56.100 -0.080 0.000 1.000 690 R CB 0.704 30.950 30.300 -0.089 0.000 0.973 690 R HN 0.451 nan 8.270 nan 0.000 0.438 691 V N 4.972 124.778 119.914 -0.179 0.000 2.638 691 V HA 0.233 4.353 4.120 -0.000 0.000 0.306 691 V C -0.706 175.279 176.094 -0.182 0.000 1.052 691 V CA -0.934 61.258 62.300 -0.181 0.000 0.885 691 V CB 1.843 33.631 31.823 -0.058 0.000 0.999 691 V HN 0.801 nan 8.190 nan 0.000 0.424 692 H N 3.170 122.313 119.070 0.122 0.000 2.820 692 H HA 0.342 4.897 4.556 -0.000 0.000 0.278 692 H C 0.747 176.152 175.328 0.128 0.000 1.142 692 H CA -0.087 56.045 56.048 0.139 0.000 1.346 692 H CB 1.221 31.068 29.762 0.142 0.000 1.438 692 H HN 0.847 nan 8.280 nan 0.000 0.473 693 G N 2.009 110.962 108.800 0.255 0.000 2.414 693 G HA2 0.238 4.198 3.960 -0.000 0.000 0.236 693 G HA3 0.238 4.198 3.960 -0.000 0.000 0.236 693 G C 0.313 175.303 174.900 0.150 0.000 1.293 693 G CA -0.156 45.067 45.100 0.205 0.000 0.869 693 G HN 0.754 nan 8.290 nan 0.000 0.556 694 A N 1.840 124.705 122.820 0.075 0.000 2.407 694 A HA 0.526 4.846 4.320 -0.000 0.000 0.248 694 A C -0.351 177.283 177.584 0.083 0.000 1.082 694 A CA -0.407 51.675 52.037 0.075 0.000 0.785 694 A CB 0.400 19.464 19.000 0.107 0.000 1.020 694 A HN 0.812 nan 8.150 nan 0.000 0.489 695 F N 2.885 122.834 119.950 -0.001 0.000 2.404 695 F HA 0.499 5.026 4.527 -0.000 0.000 0.345 695 F C -0.013 175.778 175.800 -0.015 0.000 1.110 695 F CA -0.428 57.559 58.000 -0.021 0.000 1.130 695 F CB 1.458 40.454 39.000 -0.006 0.000 1.129 695 F HN 0.458 nan 8.300 nan 0.000 0.500 696 V N 6.711 126.091 119.914 -0.890 0.000 2.525 696 V HA 0.589 4.709 4.120 -0.000 0.000 0.299 696 V C -0.672 174.876 176.094 -0.909 0.000 1.034 696 V CA -0.084 61.827 62.300 -0.648 0.000 0.863 696 V CB 1.307 32.845 31.823 -0.475 0.000 0.999 696 V HN 0.994 nan 8.190 nan 0.000 0.423 697 S N 3.475 118.800 115.700 -0.624 0.000 2.614 697 S HA 0.334 4.803 4.470 -0.000 0.000 0.265 697 S C 0.580 175.078 174.600 -0.171 0.000 1.303 697 S CA -0.125 57.865 58.200 -0.348 0.000 1.000 697 S CB 1.257 64.451 63.200 -0.011 0.000 0.935 697 S HN 0.782 nan 8.310 nan 0.000 0.551 698 D N 0.695 121.038 120.400 -0.095 0.000 2.263 698 D HA -0.053 4.586 4.640 -0.000 0.000 0.208 698 D C 1.058 177.347 176.300 -0.018 0.000 0.971 698 D CA 1.024 54.986 54.000 -0.063 0.000 0.867 698 D CB -0.254 40.519 40.800 -0.046 0.000 0.929 698 D HN 0.565 nan 8.370 nan 0.000 0.492 699 D N 0.622 121.024 120.400 0.002 0.000 2.103 699 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 699 D C 1.916 178.257 176.300 0.069 0.000 0.978 699 D CA 0.653 54.681 54.000 0.046 0.000 0.829 699 D CB -0.175 40.651 40.800 0.043 0.000 0.981 699 D HN 0.310 nan 8.370 nan 0.000 0.464 700 E N 0.205 120.432 120.200 0.045 0.000 2.118 700 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 700 E C 2.188 178.818 176.600 0.049 0.000 0.992 700 E CA 0.650 57.095 56.400 0.075 0.000 0.804 700 E CB 0.151 29.907 29.700 0.093 0.000 0.741 700 E HN 0.073 nan 8.360 nan 0.000 0.458 701 V N 0.373 120.277 119.914 -0.017 0.000 2.283 701 V HA -0.249 3.871 4.120 -0.000 0.000 0.243 701 V C 2.202 178.225 176.094 -0.117 0.000 1.039 701 V CA 2.180 64.420 62.300 -0.099 0.000 1.016 701 V CB -0.575 31.140 31.823 -0.179 0.000 0.650 701 V HN 0.321 nan 8.190 nan 0.000 0.449 702 H N 0.283 119.266 119.070 -0.146 0.000 2.394 702 H HA -0.208 4.348 4.556 -0.000 0.000 0.297 702 H C 2.448 177.734 175.328 -0.071 0.000 1.113 702 H CA 2.315 58.292 56.048 -0.118 0.000 1.277 702 H CB -0.049 29.666 29.762 -0.079 0.000 1.370 702 H HN 0.215 nan 8.280 nan 0.000 0.506 703 R N -0.651 119.839 120.500 -0.016 0.000 2.066 703 R HA -0.081 4.258 4.340 -0.000 0.000 0.232 703 R C 2.304 178.566 176.300 -0.063 0.000 1.131 703 R CA 1.484 57.569 56.100 -0.026 0.000 0.955 703 R CB -0.122 30.211 30.300 0.055 0.000 0.851 703 R HN 0.237 nan 8.270 nan 0.000 0.432 704 V N 0.258 120.140 119.914 -0.054 0.000 2.626 704 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 704 V C 2.220 178.289 176.094 -0.042 0.000 1.067 704 V CA 1.223 63.468 62.300 -0.092 0.000 1.081 704 V CB -0.177 31.513 31.823 -0.221 0.000 0.686 704 V HN 0.147 nan 8.190 nan 0.000 0.468 705 V N -0.197 119.658 119.914 -0.098 0.000 2.244 705 V HA -0.168 3.951 4.120 -0.000 0.000 0.244 705 V C 2.628 178.703 176.094 -0.032 0.000 1.042 705 V CA 1.774 64.038 62.300 -0.060 0.000 1.006 705 V CB -0.600 31.097 31.823 -0.209 0.000 0.641 705 V HN 0.499 nan 8.190 nan 0.000 0.446 706 E N 0.573 120.678 120.200 -0.158 0.000 2.130 706 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 706 E C 2.326 178.895 176.600 -0.051 0.000 0.998 706 E CA 1.610 57.936 56.400 -0.124 0.000 0.806 706 E CB -0.660 28.926 29.700 -0.190 0.000 0.738 706 E HN 0.578 nan 8.360 nan 0.000 0.459 707 A N 0.082 122.862 122.820 -0.067 0.000 1.940 707 A HA -0.168 4.151 4.320 -0.000 0.000 0.219 707 A C 2.088 179.598 177.584 -0.124 0.000 1.176 707 A CA 1.326 53.295 52.037 -0.114 0.000 0.631 707 A CB -1.007 17.893 19.000 -0.167 0.000 0.814 707 A HN 0.354 nan 8.150 nan 0.000 0.446 708 W N -0.232 121.060 121.300 -0.013 0.000 2.453 708 W HA 0.024 4.684 4.660 -0.000 0.000 0.289 708 W C 2.251 178.781 176.519 0.018 0.000 1.215 708 W CA 1.029 58.393 57.345 0.031 0.000 1.297 708 W CB 0.126 29.630 29.460 0.072 0.000 1.113 708 W HN 0.196 nan 8.180 nan 0.000 0.551 709 K N 0.235 120.771 120.400 0.227 0.000 2.209 709 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 709 K C 1.697 178.348 176.600 0.084 0.000 1.048 709 K CA 1.064 57.427 56.287 0.126 0.000 0.940 709 K CB -0.400 32.133 32.500 0.054 0.000 0.729 709 K HN 0.260 nan 8.250 nan 0.000 0.451 710 L N 0.168 121.426 121.223 0.058 0.000 2.095 710 L HA -0.083 4.257 4.340 -0.000 0.000 0.204 710 L C 2.077 178.971 176.870 0.039 0.000 1.080 710 L CA 0.965 55.819 54.840 0.024 0.000 0.759 710 L CB -0.218 41.834 42.059 -0.012 0.000 0.914 710 L HN 0.075 nan 8.230 nan 0.000 0.439 711 R N 0.253 120.792 120.500 0.064 0.000 2.357 711 R HA 0.099 4.439 4.340 -0.000 0.000 0.202 711 R C 0.332 176.725 176.300 0.154 0.000 1.047 711 R CA 0.481 56.634 56.100 0.088 0.000 1.034 711 R CB -0.060 30.263 30.300 0.039 0.000 0.875 711 R HN 0.391 nan 8.270 nan 0.000 0.473 712 G N -0.978 107.905 108.800 0.138 0.000 2.384 712 G HA2 0.409 4.368 3.960 -0.000 0.000 0.300 712 G HA3 0.409 4.368 3.960 -0.000 0.000 0.300 712 G C -1.753 173.174 174.900 0.044 0.000 1.582 712 G CA -0.446 44.705 45.100 0.086 0.000 0.875 712 G HN 0.137 nan 8.290 nan 0.000 0.628 713 A N 1.210 124.023 122.820 -0.012 0.000 2.279 713 A HA 0.937 5.257 4.320 -0.000 0.000 0.303 713 A C -2.076 175.433 177.584 -0.126 0.000 1.108 713 A CA -1.458 50.542 52.037 -0.062 0.000 0.830 713 A CB 0.605 19.560 19.000 -0.075 0.000 1.106 713 A HN 0.617 nan 8.150 nan 0.000 0.493 714 P HA 0.078 nan 4.420 nan 0.000 0.270 714 P C -1.134 175.869 177.300 -0.495 0.000 1.242 714 P CA 0.293 63.140 63.100 -0.421 0.000 0.768 714 P CB 0.593 31.851 31.700 -0.737 0.000 0.820 715 D N 3.888 124.131 120.400 -0.261 0.000 2.564 715 D HA 0.122 4.762 4.640 -0.000 0.000 0.226 715 D C -0.144 176.150 176.300 -0.010 0.000 1.149 715 D CA -0.582 53.331 54.000 -0.146 0.000 0.994 715 D CB -0.720 40.035 40.800 -0.075 0.000 1.029 715 D HN 0.262 nan 8.370 nan 0.000 0.517 716 Y N 1.089 121.355 120.300 -0.057 0.000 2.357 716 Y HA 0.243 4.793 4.550 -0.000 0.000 0.340 716 Y C 0.711 176.558 175.900 -0.088 0.000 1.260 716 Y CA -1.067 56.984 58.100 -0.082 0.000 1.425 716 Y CB 0.893 39.309 38.460 -0.073 0.000 1.326 716 Y HN 0.094 nan 8.280 nan 0.000 0.580 717 I N 1.081 121.671 120.570 0.033 0.000 2.833 717 I HA 0.055 4.225 4.170 -0.000 0.000 0.286 717 I C 0.961 177.018 176.117 -0.099 0.000 1.287 717 I CA -0.091 61.181 61.300 -0.047 0.000 1.046 717 I CB 0.798 38.722 38.000 -0.127 0.000 1.612 717 I HN 0.660 nan 8.210 nan 0.000 0.585 718 E N 1.793 121.974 120.200 -0.032 0.000 2.324 718 E HA -0.350 3.999 4.350 -0.000 0.000 0.205 718 E C 1.531 178.089 176.600 -0.070 0.000 1.031 718 E CA 1.825 58.194 56.400 -0.052 0.000 0.836 718 E CB 0.264 29.962 29.700 -0.004 0.000 0.742 718 E HN 0.671 nan 8.360 nan 0.000 0.491 719 D N 0.607 120.976 120.400 -0.051 0.000 2.133 719 D HA -0.215 4.424 4.640 -0.000 0.000 0.195 719 D C 1.960 178.228 176.300 -0.054 0.000 0.997 719 D CA 1.345 55.339 54.000 -0.010 0.000 0.840 719 D CB -0.358 40.477 40.800 0.058 0.000 0.947 719 D HN 0.440 nan 8.370 nan 0.000 0.452 720 I N -0.104 120.302 120.570 -0.273 0.000 2.151 720 I HA -0.260 3.909 4.170 -0.000 0.000 0.243 720 I C 1.963 177.961 176.117 -0.199 0.000 1.080 720 I CA 1.126 62.132 61.300 -0.490 0.000 1.339 720 I CB -0.012 37.380 38.000 -1.012 0.000 1.039 720 I HN 0.066 nan 8.210 nan 0.000 0.409 721 L N 0.728 121.845 121.223 -0.175 0.000 2.552 721 L HA 0.144 4.484 4.340 -0.000 0.000 0.227 721 L C 0.968 177.811 176.870 -0.045 0.000 1.146 721 L CA 0.040 54.817 54.840 -0.105 0.000 0.858 721 L CB -0.499 41.483 42.059 -0.128 0.000 0.969 721 L HN 0.302 nan 8.230 nan 0.000 0.451 722 A N 0.000 122.805 122.820 -0.024 0.000 2.254 722 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 722 A CA 0.000 52.039 52.037 0.003 0.000 0.836 722 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 722 A HN 0.000 nan 8.150 nan 0.000 0.486