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 3mt5_1_A DATA FIRST_RESID 343 DATA SEQUENCE KHIVVCGHIT LESVSNFLKD FLHKDRDDVN VEIVFLHNIS PNLELEALFK DATA SEQUENCE RHFTQVEFYQ GSVLNPHDLA RVKIESADAC LILANKYCAD PDAEDASNIM DATA SEQUENCE RVISIKNYHP KIRIITQMLQ YHNKAHLLNI PSWNWKEGDD AICLAELKLG DATA SEQUENCE FIAQSCLAQG LSTMLANLFS MRSFIKIEED TWQKYYLEGV SNEMYTEYLS DATA SEQUENCE SAFVGLSFPT VCELCFVKLK LLMIAIEYXX XXXXSRILIN PGNHLKIQEG DATA SEQUENCE TLGFFIASDA KEVKRAFFYC KXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXDNMDSN VKKYDSTGMF DATA SEQUENCE HWCAPKEIEK VILTRSEAAM TVLSGHVVVC IFGDVSSALI GLRNLVMPLR DATA SEQUENCE ASNFHYHELK HIVFVGSIEY LKREWETLHN FPKVSILPGT PLSRADLRAV DATA SEQUENCE NINLCDMCVI LSANXXXXXX XXXXDKECIL ASLNIKSMQF DXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXSITT GVNIPIITEL VNDTNVQFLD DATA SEQUENCE QDDDDDPDTE LYLTQPFACG TAFAVSVLDS LMSATYFNDN ILTLIRTLVT DATA SEQUENCE GGAXXXLEAL IAEENALRGG YSTPQTLANR DRCRVAQLAL LDGPFADLGD DATA SEQUENCE GGCYGDLFCK ALKTYNMLCF GIYRLRDAXX XXPSQCTKRY VITNPPYEFE DATA SEQUENCE LVPTDLIFCL MQFD 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 343 K HA 0.000 nan 4.320 nan 0.000 0.191 343 K C 0.000 176.741 176.600 0.235 0.000 0.988 343 K CA 0.000 56.405 56.287 0.197 0.000 0.838 343 K CB 0.000 32.584 32.500 0.140 0.000 1.064 344 H N 3.048 122.117 119.070 -0.002 0.000 3.016 344 H HA 0.593 5.152 4.556 0.004 0.000 0.362 344 H C -1.027 174.234 175.328 -0.112 0.000 1.233 344 H CA -0.968 55.041 56.048 -0.065 0.000 1.124 344 H CB 1.261 30.970 29.762 -0.088 0.000 1.850 344 H HN 0.520 nan 8.280 nan 0.000 0.549 345 I N -0.115 120.296 120.570 -0.265 0.000 2.569 345 I HA 0.633 4.805 4.170 0.004 0.000 0.296 345 I C -0.931 174.940 176.117 -0.409 0.000 1.028 345 I CA -1.271 59.792 61.300 -0.396 0.000 1.082 345 I CB 2.169 39.863 38.000 -0.510 0.000 1.264 345 I HN 0.228 nan 8.210 nan 0.000 0.429 346 V N 6.035 125.717 119.914 -0.387 0.000 2.465 346 V HA 0.372 4.494 4.120 0.004 0.000 0.279 346 V C 0.075 175.884 176.094 -0.476 0.000 1.045 346 V CA -0.520 61.551 62.300 -0.381 0.000 0.938 346 V CB 1.557 33.211 31.823 -0.282 0.000 0.986 346 V HN 0.584 nan 8.190 nan 0.000 0.467 347 V N 5.029 124.569 119.914 -0.623 0.000 2.349 347 V HA 0.418 4.540 4.120 0.004 0.000 0.284 347 V C 0.131 175.992 176.094 -0.388 0.000 1.014 347 V CA -0.481 61.408 62.300 -0.686 0.000 0.826 347 V CB 1.000 32.076 31.823 -1.244 0.000 1.009 347 V HN 1.135 nan 8.190 nan 0.000 0.431 348 C N 2.175 121.325 119.300 -0.250 0.000 2.857 348 C HA 1.096 5.559 4.460 0.004 0.000 0.397 348 C C 1.074 175.982 174.990 -0.135 0.000 1.558 348 C CA 0.050 58.991 59.018 -0.128 0.000 1.694 348 C CB 1.022 28.706 27.740 -0.093 0.000 2.120 348 C HN 1.588 nan 8.230 nan 0.000 0.475 349 G N 0.287 109.014 108.800 -0.122 0.000 2.709 349 G HA2 -0.069 3.893 3.960 0.004 0.000 0.228 349 G HA3 -0.069 3.893 3.960 0.004 0.000 0.228 349 G C -0.525 174.200 174.900 -0.290 0.000 1.215 349 G CA 0.452 45.475 45.100 -0.128 0.000 1.003 349 G HN 1.679 nan 8.290 nan 0.000 0.584 350 H N 1.851 120.756 119.070 -0.276 0.000 2.982 350 H HA 0.548 5.106 4.556 0.004 0.000 0.261 350 H C 0.402 175.573 175.328 -0.262 0.000 1.603 350 H CA -0.771 55.107 56.048 -0.283 0.000 1.398 350 H CB -0.494 29.195 29.762 -0.122 0.000 1.693 350 H HN 0.394 nan 8.280 nan 0.000 0.535 351 I N 4.418 124.608 120.570 -0.634 0.000 2.308 351 I HA 0.122 4.294 4.170 0.004 0.000 0.293 351 I C 0.705 176.652 176.117 -0.282 0.000 1.078 351 I CA -0.027 61.071 61.300 -0.336 0.000 1.292 351 I CB 0.180 38.093 38.000 -0.144 0.000 1.423 351 I HN 0.503 nan 8.210 nan 0.000 0.493 352 T N 4.509 118.907 114.554 -0.260 0.000 2.861 352 T HA 0.551 4.903 4.350 0.004 0.000 0.287 352 T C 1.456 176.117 174.700 -0.065 0.000 1.003 352 T CA -0.323 61.683 62.100 -0.156 0.000 0.977 352 T CB 1.467 70.239 68.868 -0.159 0.000 0.996 352 T HN 0.432 nan 8.240 nan 0.000 0.448 353 L N 3.214 124.445 121.223 0.012 0.000 2.113 353 L HA -0.105 4.238 4.340 0.004 0.000 0.221 353 L C 2.479 179.415 176.870 0.111 0.000 1.084 353 L CA 3.372 58.294 54.840 0.136 0.000 0.787 353 L CB -2.217 39.947 42.059 0.174 0.000 0.893 353 L HN 0.980 nan 8.230 nan 0.000 0.440 354 E N 0.484 120.729 120.200 0.076 0.000 2.077 354 E HA -0.197 4.156 4.350 0.004 0.000 0.193 354 E C 2.429 179.074 176.600 0.076 0.000 0.989 354 E CA 2.261 58.713 56.400 0.087 0.000 0.800 354 E CB -0.313 29.444 29.700 0.095 0.000 0.746 354 E HN 0.902 nan 8.360 nan 0.000 0.452 355 S N -1.000 114.727 115.700 0.045 0.000 2.421 355 S HA -0.003 4.469 4.470 0.004 0.000 0.224 355 S C 2.109 176.729 174.600 0.034 0.000 1.035 355 S CA 0.652 58.890 58.200 0.063 0.000 0.953 355 S CB -0.502 62.737 63.200 0.065 0.000 0.810 355 S HN 0.112 nan 8.310 nan 0.000 0.497 356 V N 3.378 123.221 119.914 -0.117 0.000 2.219 356 V HA -0.210 3.913 4.120 0.004 0.000 0.248 356 V C 3.233 179.158 176.094 -0.283 0.000 1.053 356 V CA 2.370 64.469 62.300 -0.335 0.000 1.009 356 V CB -1.492 29.888 31.823 -0.738 0.000 0.636 356 V HN 0.805 nan 8.190 nan 0.000 0.445 357 S N 0.217 115.730 115.700 -0.311 0.000 2.419 357 S HA -0.251 4.221 4.470 0.004 0.000 0.233 357 S C 1.935 176.552 174.600 0.028 0.000 1.016 357 S CA 1.768 59.880 58.200 -0.146 0.000 0.974 357 S CB -0.744 62.568 63.200 0.187 0.000 0.786 357 S HN 0.661 nan 8.310 nan 0.000 0.492 358 N N 0.409 119.149 118.700 0.067 0.000 2.171 358 N HA -0.083 4.659 4.740 0.004 0.000 0.184 358 N C 1.554 177.138 175.510 0.124 0.000 1.021 358 N CA 1.300 54.412 53.050 0.103 0.000 0.854 358 N CB -0.459 38.095 38.487 0.112 0.000 0.994 358 N HN 0.518 nan 8.380 nan 0.000 0.426 359 F N 1.936 121.895 119.950 0.015 0.000 2.075 359 F HA -0.031 4.498 4.527 0.004 0.000 0.297 359 F C 2.271 178.099 175.800 0.046 0.000 1.113 359 F CA 1.051 59.077 58.000 0.044 0.000 1.218 359 F CB -0.483 38.547 39.000 0.051 0.000 0.984 359 F HN -0.035 nan 8.300 nan 0.000 0.472 360 L N 0.152 121.373 121.223 -0.005 0.000 2.079 360 L HA -0.264 4.078 4.340 0.004 0.000 0.210 360 L C 2.495 179.311 176.870 -0.090 0.000 1.081 360 L CA 1.590 56.314 54.840 -0.194 0.000 0.752 360 L CB -0.683 41.049 42.059 -0.546 0.000 0.896 360 L HN 0.142 nan 8.230 nan 0.000 0.433 361 K N -0.141 120.272 120.400 0.022 0.000 2.002 361 K HA -0.186 4.137 4.320 0.004 0.000 0.209 361 K C 1.756 178.458 176.600 0.169 0.000 1.048 361 K CA 1.728 58.111 56.287 0.159 0.000 0.930 361 K CB -0.172 32.441 32.500 0.189 0.000 0.714 361 K HN 0.299 nan 8.250 nan 0.000 0.438 362 D N 0.463 120.889 120.400 0.042 0.000 2.088 362 D HA -0.201 4.442 4.640 0.004 0.000 0.191 362 D C 1.766 178.082 176.300 0.027 0.000 0.992 362 D CA 1.179 55.192 54.000 0.021 0.000 0.831 362 D CB -0.537 40.242 40.800 -0.034 0.000 0.973 362 D HN 0.081 nan 8.370 nan 0.000 0.447 363 F N 0.979 120.741 119.950 -0.313 0.000 2.161 363 F HA -0.122 4.407 4.527 0.004 0.000 0.300 363 F C 2.171 177.986 175.800 0.025 0.000 1.089 363 F CA 1.147 59.030 58.000 -0.194 0.000 1.282 363 F CB -0.015 38.627 39.000 -0.596 0.000 1.010 363 F HN -0.107 nan 8.300 nan 0.000 0.485 364 L N -1.518 119.802 121.223 0.160 0.000 2.509 364 L HA -0.063 4.279 4.340 0.004 0.000 0.222 364 L C 1.769 178.623 176.870 -0.025 0.000 1.123 364 L CA 0.415 55.322 54.840 0.111 0.000 0.856 364 L CB -0.702 41.449 42.059 0.153 0.000 0.985 364 L HN 0.130 nan 8.230 nan 0.000 0.456 365 H N -0.507 118.568 119.070 0.010 0.000 2.436 365 H HA -0.069 4.489 4.556 0.004 0.000 0.294 365 H C 2.032 177.300 175.328 -0.101 0.000 1.048 365 H CA 1.037 57.071 56.048 -0.024 0.000 1.353 365 H CB 0.448 30.196 29.762 -0.023 0.000 1.414 365 H HN -0.026 nan 8.280 nan 0.000 0.536 366 K N 0.307 120.668 120.400 -0.065 0.000 2.284 366 K HA -0.006 4.316 4.320 0.004 0.000 0.198 366 K C -0.203 176.021 176.600 -0.627 0.000 1.048 366 K CA 0.172 56.273 56.287 -0.311 0.000 0.987 366 K CB 0.387 32.703 32.500 -0.307 0.000 0.800 366 K HN 0.060 nan 8.250 nan 0.000 0.486 367 D N 0.922 121.014 120.400 -0.512 0.000 2.348 367 D HA -0.021 4.622 4.640 0.004 0.000 0.259 367 D C 0.959 177.143 176.300 -0.194 0.000 1.296 367 D CA 0.072 53.822 54.000 -0.416 0.000 0.931 367 D CB 0.551 41.291 40.800 -0.101 0.000 1.067 367 D HN 0.208 nan 8.370 nan 0.000 0.503 368 R N 2.490 122.860 120.500 -0.216 0.000 2.091 368 R HA -0.171 4.172 4.340 0.004 0.000 0.238 368 R C -0.143 176.141 176.300 -0.027 0.000 1.136 368 R CA 1.438 57.477 56.100 -0.102 0.000 0.959 368 R CB -0.471 29.771 30.300 -0.096 0.000 0.856 368 R HN 0.330 nan 8.270 nan 0.000 0.437 369 D N 1.043 121.449 120.400 0.009 0.000 2.517 369 D HA 0.036 4.678 4.640 0.004 0.000 0.301 369 D C -0.501 175.858 176.300 0.099 0.000 1.202 369 D CA -0.645 53.386 54.000 0.051 0.000 0.910 369 D CB 1.076 41.909 40.800 0.055 0.000 1.021 369 D HN 0.283 nan 8.370 nan 0.000 0.499 370 D N 0.247 120.708 120.400 0.103 0.000 2.363 370 D HA -0.127 4.515 4.640 0.004 0.000 0.226 370 D C 1.410 177.795 176.300 0.142 0.000 1.020 370 D CA -0.109 53.987 54.000 0.161 0.000 0.892 370 D CB 0.018 40.916 40.800 0.163 0.000 0.900 370 D HN 0.302 nan 8.370 nan 0.000 0.531 371 V N 1.398 121.375 119.914 0.106 0.000 2.358 371 V HA -0.299 3.823 4.120 0.004 0.000 0.246 371 V C 2.229 178.379 176.094 0.095 0.000 1.047 371 V CA 2.205 64.559 62.300 0.089 0.000 1.035 371 V CB -1.120 30.742 31.823 0.067 0.000 0.658 371 V HN 0.370 nan 8.190 nan 0.000 0.452 372 N N 0.756 119.518 118.700 0.104 0.000 2.051 372 N HA -0.103 4.640 4.740 0.004 0.000 0.192 372 N C 0.928 176.509 175.510 0.118 0.000 1.049 372 N CA 0.667 53.780 53.050 0.104 0.000 0.845 372 N CB -0.878 37.674 38.487 0.107 0.000 1.031 372 N HN 0.278 nan 8.380 nan 0.000 0.425 373 V N 1.509 121.517 119.914 0.157 0.000 2.720 373 V HA -0.061 4.062 4.120 0.004 0.000 0.307 373 V C -0.335 175.815 176.094 0.093 0.000 1.071 373 V CA 0.393 62.786 62.300 0.156 0.000 1.199 373 V CB 0.442 32.418 31.823 0.256 0.000 0.900 373 V HN 0.340 nan 8.190 nan 0.000 0.494 374 E N 6.089 126.325 120.200 0.059 0.000 2.133 374 E HA 0.364 4.716 4.350 0.004 0.000 0.274 374 E C -0.722 175.818 176.600 -0.100 0.000 0.930 374 E CA -0.504 55.901 56.400 0.008 0.000 0.770 374 E CB 1.870 31.584 29.700 0.023 0.000 1.104 374 E HN 0.563 nan 8.360 nan 0.000 0.403 375 I N 2.958 123.410 120.570 -0.196 0.000 2.301 375 I HA 0.058 4.230 4.170 0.004 0.000 0.292 375 I C -0.237 175.637 176.117 -0.405 0.000 1.046 375 I CA -0.421 60.632 61.300 -0.410 0.000 1.282 375 I CB 0.899 38.612 38.000 -0.479 0.000 1.409 375 I HN 0.091 nan 8.210 nan 0.000 0.484 376 V N 7.484 127.148 119.914 -0.418 0.000 2.333 376 V HA 0.346 4.469 4.120 0.004 0.000 0.274 376 V C -0.052 175.783 176.094 -0.431 0.000 1.028 376 V CA -0.585 61.550 62.300 -0.275 0.000 0.851 376 V CB 0.261 32.005 31.823 -0.133 0.000 1.000 376 V HN 0.330 nan 8.190 nan 0.000 0.456 377 F N 4.998 124.787 119.950 -0.269 0.000 2.375 377 F HA 0.666 5.195 4.527 0.004 0.000 0.333 377 F C -0.026 175.763 175.800 -0.017 0.000 1.104 377 F CA -0.576 57.288 58.000 -0.227 0.000 1.149 377 F CB 1.511 40.299 39.000 -0.354 0.000 1.190 377 F HN 0.325 nan 8.300 nan 0.000 0.533 378 L N 4.046 125.381 121.223 0.187 0.000 2.491 378 L HA 0.431 4.773 4.340 0.004 0.000 0.267 378 L C -1.531 175.481 176.870 0.237 0.000 0.971 378 L CA -0.130 54.821 54.840 0.184 0.000 0.857 378 L CB 1.040 43.123 42.059 0.040 0.000 1.226 378 L HN 0.726 nan 8.230 nan 0.000 0.408 379 H N 2.656 121.802 119.070 0.127 0.000 2.996 379 H HA 0.258 4.816 4.556 0.004 0.000 0.368 379 H C -0.234 175.138 175.328 0.073 0.000 1.185 379 H CA -0.661 55.436 56.048 0.081 0.000 1.160 379 H CB 2.079 31.881 29.762 0.066 0.000 1.820 379 H HN 0.672 nan 8.280 nan 0.000 0.547 380 N N 2.541 121.104 118.700 -0.228 0.000 2.142 380 N HA -0.036 4.706 4.740 0.004 0.000 0.186 380 N C 0.348 175.706 175.510 -0.253 0.000 1.023 380 N CA 0.662 53.587 53.050 -0.208 0.000 0.852 380 N CB -0.023 38.370 38.487 -0.156 0.000 0.998 380 N HN 0.459 nan 8.380 nan 0.000 0.424 381 I N 0.802 121.092 120.570 -0.466 0.000 2.948 381 I HA -0.172 4.001 4.170 0.004 0.000 0.303 381 I C 0.783 176.831 176.117 -0.115 0.000 1.224 381 I CA 0.194 61.349 61.300 -0.241 0.000 1.442 381 I CB 0.184 38.062 38.000 -0.203 0.000 1.328 381 I HN 0.089 nan 8.210 nan 0.000 0.578 382 S N 6.598 122.254 115.700 -0.074 0.000 2.560 382 S HA 0.071 4.544 4.470 0.004 0.000 0.284 382 S C -0.961 173.608 174.600 -0.053 0.000 1.327 382 S CA -1.115 57.056 58.200 -0.049 0.000 1.055 382 S CB 0.825 64.001 63.200 -0.040 0.000 0.868 382 S HN 0.429 nan 8.310 nan 0.000 0.506 383 P HA -0.298 nan 4.420 nan 0.000 0.225 383 P C 0.486 177.706 177.300 -0.133 0.000 1.154 383 P CA 1.460 64.505 63.100 -0.091 0.000 0.933 383 P CB -0.150 31.498 31.700 -0.087 0.000 0.790 384 N N -3.335 115.303 118.700 -0.104 0.000 2.780 384 N HA -0.176 4.566 4.740 0.004 0.000 0.247 384 N C 0.647 176.072 175.510 -0.142 0.000 1.076 384 N CA 0.456 53.440 53.050 -0.110 0.000 0.688 384 N CB -1.469 36.956 38.487 -0.104 0.000 0.957 384 N HN -0.014 nan 8.380 nan 0.000 0.551 385 L N 0.426 121.575 121.223 -0.124 0.000 2.270 385 L HA -0.128 4.215 4.340 0.004 0.000 0.217 385 L C 2.189 178.989 176.870 -0.116 0.000 1.107 385 L CA 2.053 56.818 54.840 -0.124 0.000 0.772 385 L CB -0.118 41.891 42.059 -0.083 0.000 0.902 385 L HN 0.325 nan 8.230 nan 0.000 0.439 386 E N -0.561 119.577 120.200 -0.105 0.000 2.011 386 E HA -0.105 4.247 4.350 0.004 0.000 0.191 386 E C 1.955 178.474 176.600 -0.136 0.000 0.980 386 E CA 1.217 57.557 56.400 -0.099 0.000 0.814 386 E CB -0.274 29.378 29.700 -0.078 0.000 0.775 386 E HN 0.432 nan 8.360 nan 0.000 0.454 387 L N 1.549 122.683 121.223 -0.149 0.000 2.622 387 L HA -0.070 4.272 4.340 0.004 0.000 0.233 387 L C 2.085 178.788 176.870 -0.279 0.000 1.156 387 L CA 0.843 55.563 54.840 -0.200 0.000 0.866 387 L CB -0.111 41.860 42.059 -0.147 0.000 0.980 387 L HN 0.155 nan 8.230 nan 0.000 0.448 388 E N -0.131 119.918 120.200 -0.252 0.000 2.332 388 E HA 0.067 4.420 4.350 0.004 0.000 0.202 388 E C 1.960 178.447 176.600 -0.188 0.000 0.877 388 E CA 0.794 57.011 56.400 -0.306 0.000 0.979 388 E CB 0.233 29.616 29.700 -0.528 0.000 0.969 388 E HN 0.253 nan 8.360 nan 0.000 0.495 389 A N 1.631 124.372 122.820 -0.131 0.000 2.209 389 A HA -0.012 4.311 4.320 0.004 0.000 0.212 389 A C 2.160 179.755 177.584 0.019 0.000 1.158 389 A CA 0.896 52.925 52.037 -0.013 0.000 0.742 389 A CB -0.654 18.334 19.000 -0.021 0.000 0.790 389 A HN 0.351 nan 8.150 nan 0.000 0.472 390 L N -4.716 116.455 121.223 -0.087 0.000 2.313 390 L HA 0.199 4.542 4.340 0.004 0.000 0.214 390 L C 1.762 178.621 176.870 -0.019 0.000 1.119 390 L CA 1.519 56.294 54.840 -0.108 0.000 0.809 390 L CB -0.642 41.245 42.059 -0.286 0.000 0.933 390 L HN 0.095 nan 8.230 nan 0.000 0.449 391 F N 0.541 120.597 119.950 0.176 0.000 2.270 391 F HA 0.140 4.669 4.527 0.004 0.000 0.295 391 F C 2.500 178.589 175.800 0.483 0.000 1.087 391 F CA 0.864 59.105 58.000 0.402 0.000 1.365 391 F CB -0.567 38.683 39.000 0.417 0.000 1.056 391 F HN 0.056 nan 8.300 nan 0.000 0.506 392 K N 0.091 120.820 120.400 0.549 0.000 2.360 392 K HA -0.156 4.166 4.320 0.004 0.000 0.201 392 K C 2.293 179.067 176.600 0.291 0.000 1.046 392 K CA 0.756 57.284 56.287 0.401 0.000 0.945 392 K CB 0.176 32.851 32.500 0.292 0.000 0.750 392 K HN 0.137 nan 8.250 nan 0.000 0.464 393 R N -0.622 120.037 120.500 0.265 0.000 2.043 393 R HA -0.025 4.317 4.340 0.004 0.000 0.221 393 R C 1.984 178.379 176.300 0.158 0.000 1.196 393 R CA 0.968 57.175 56.100 0.178 0.000 0.949 393 R CB -0.281 30.108 30.300 0.149 0.000 0.838 393 R HN 0.359 nan 8.270 nan 0.000 0.446 394 H N -1.217 117.841 119.070 -0.020 0.000 2.492 394 H HA -0.115 4.443 4.556 0.004 0.000 0.296 394 H C -0.303 174.647 175.328 -0.630 0.000 1.095 394 H CA 0.973 56.807 56.048 -0.357 0.000 1.281 394 H CB 0.117 29.572 29.762 -0.512 0.000 1.374 394 H HN 0.020 nan 8.280 nan 0.000 0.545 395 F N -1.346 118.764 119.950 0.267 0.000 2.569 395 F HA 0.177 4.706 4.527 0.004 0.000 0.312 395 F C 0.754 176.647 175.800 0.155 0.000 1.109 395 F CA -0.798 57.318 58.000 0.194 0.000 0.919 395 F CB 1.957 41.083 39.000 0.211 0.000 1.211 395 F HN -0.314 nan 8.300 nan 0.000 0.446 396 T N -0.979 113.738 114.554 0.271 0.000 3.040 396 T HA -0.033 4.319 4.350 0.004 0.000 0.250 396 T C 1.111 175.908 174.700 0.162 0.000 1.058 396 T CA 0.113 62.321 62.100 0.180 0.000 0.988 396 T CB -0.023 68.916 68.868 0.118 0.000 0.993 396 T HN 0.627 nan 8.240 nan 0.000 0.519 397 Q N 1.084 120.995 119.800 0.185 0.000 2.189 397 Q HA 0.301 4.644 4.340 0.004 0.000 0.221 397 Q C -0.381 175.663 176.000 0.074 0.000 0.848 397 Q CA -0.096 55.779 55.803 0.121 0.000 1.007 397 Q CB -0.016 28.797 28.738 0.124 0.000 1.116 397 Q HN 0.267 nan 8.270 nan 0.000 0.481 398 V N 1.074 121.050 119.914 0.103 0.000 2.628 398 V HA 0.462 4.585 4.120 0.004 0.000 0.306 398 V C -0.501 175.611 176.094 0.029 0.000 1.045 398 V CA -0.624 61.693 62.300 0.027 0.000 0.905 398 V CB 1.998 33.851 31.823 0.050 0.000 0.997 398 V HN 0.246 nan 8.190 nan 0.000 0.436 399 E N 3.024 123.196 120.200 -0.047 0.000 2.292 399 E HA 0.565 4.918 4.350 0.004 0.000 0.272 399 E C -1.760 174.828 176.600 -0.021 0.000 0.881 399 E CA -0.497 55.929 56.400 0.043 0.000 0.754 399 E CB 2.625 32.434 29.700 0.181 0.000 1.201 399 E HN 0.491 nan 8.360 nan 0.000 0.425 400 F N 1.465 121.491 119.950 0.127 0.000 2.458 400 F HA 0.518 5.047 4.527 0.004 0.000 0.330 400 F C -0.307 175.490 175.800 -0.005 0.000 1.082 400 F CA -0.453 57.637 58.000 0.150 0.000 0.995 400 F CB 1.002 40.044 39.000 0.070 0.000 1.170 400 F HN 0.394 nan 8.300 nan 0.000 0.478 401 Y N -0.029 120.415 120.300 0.239 0.000 2.581 401 Y HA 0.243 4.795 4.550 0.004 0.000 0.345 401 Y C 0.703 176.676 175.900 0.123 0.000 1.036 401 Y CA -0.789 57.391 58.100 0.133 0.000 1.042 401 Y CB 1.976 40.475 38.460 0.064 0.000 1.289 401 Y HN 0.497 nan 8.280 nan 0.000 0.471 402 Q N 1.009 120.943 119.800 0.223 0.000 2.250 402 Q HA 0.210 4.552 4.340 0.004 0.000 0.200 402 Q C 1.032 177.101 176.000 0.115 0.000 0.941 402 Q CA 0.920 56.800 55.803 0.130 0.000 0.872 402 Q CB -0.066 28.719 28.738 0.078 0.000 0.965 402 Q HN 0.914 nan 8.270 nan 0.000 0.480 403 G N -0.292 108.590 108.800 0.136 0.000 2.527 403 G HA2 0.264 4.226 3.960 0.004 0.000 0.279 403 G HA3 0.264 4.226 3.960 0.004 0.000 0.279 403 G C -0.786 174.160 174.900 0.077 0.000 1.374 403 G CA 0.088 45.242 45.100 0.090 0.000 1.053 403 G HN 0.242 nan 8.290 nan 0.000 0.539 404 S N -2.557 113.178 115.700 0.057 0.000 2.548 404 S HA 0.292 4.764 4.470 0.004 0.000 0.286 404 S C 0.797 175.414 174.600 0.029 0.000 1.098 404 S CA -0.623 57.612 58.200 0.058 0.000 0.930 404 S CB 1.926 65.160 63.200 0.057 0.000 1.070 404 S HN 0.451 nan 8.310 nan 0.000 0.480 405 V N 4.597 124.523 119.914 0.020 0.000 3.026 405 V HA -0.069 4.053 4.120 0.004 0.000 0.265 405 V C 1.550 177.644 176.094 0.000 0.000 1.121 405 V CA 1.687 63.978 62.300 -0.015 0.000 1.142 405 V CB -0.742 31.068 31.823 -0.022 0.000 0.730 405 V HN 0.777 nan 8.190 nan 0.000 0.503 406 L N -0.517 120.720 121.223 0.023 0.000 2.307 406 L HA 0.106 4.449 4.340 0.004 0.000 0.211 406 L C 1.395 178.294 176.870 0.047 0.000 1.099 406 L CA 0.804 55.664 54.840 0.034 0.000 0.816 406 L CB -0.331 41.749 42.059 0.035 0.000 0.952 406 L HN 0.334 nan 8.230 nan 0.000 0.455 407 N N 1.250 119.980 118.700 0.049 0.000 2.401 407 N HA 0.043 4.786 4.740 0.004 0.000 0.255 407 N C -1.918 173.644 175.510 0.087 0.000 1.110 407 N CA -1.257 51.836 53.050 0.072 0.000 0.949 407 N CB 1.483 40.016 38.487 0.077 0.000 1.110 407 N HN -0.111 nan 8.380 nan 0.000 0.490 408 P HA -0.109 nan 4.420 nan 0.000 0.222 408 P C 0.691 178.134 177.300 0.238 0.000 1.147 408 P CA 1.087 64.320 63.100 0.222 0.000 0.790 408 P CB 0.096 31.945 31.700 0.250 0.000 0.780 409 H N -0.131 118.996 119.070 0.095 0.000 2.395 409 H HA -0.063 4.495 4.556 0.004 0.000 0.299 409 H C 1.556 176.901 175.328 0.027 0.000 1.070 409 H CA 1.505 57.599 56.048 0.077 0.000 1.356 409 H CB -0.463 29.334 29.762 0.059 0.000 1.401 409 H HN -0.055 nan 8.280 nan 0.000 0.524 410 D N 0.006 120.383 120.400 -0.039 0.000 2.117 410 D HA -0.126 4.516 4.640 0.004 0.000 0.197 410 D C 2.055 178.216 176.300 -0.233 0.000 0.987 410 D CA 0.573 54.494 54.000 -0.131 0.000 0.829 410 D CB -0.081 40.694 40.800 -0.042 0.000 0.961 410 D HN 0.276 nan 8.370 nan 0.000 0.460 411 L N 1.017 122.087 121.223 -0.256 0.000 2.127 411 L HA -0.128 4.214 4.340 0.004 0.000 0.211 411 L C 2.358 178.888 176.870 -0.566 0.000 1.089 411 L CA 1.027 55.561 54.840 -0.509 0.000 0.757 411 L CB -1.190 40.385 42.059 -0.806 0.000 0.899 411 L HN -0.062 nan 8.230 nan 0.000 0.434 412 A N 0.322 122.969 122.820 -0.288 0.000 1.855 412 A HA -0.159 4.163 4.320 0.004 0.000 0.213 412 A C 2.236 179.705 177.584 -0.191 0.000 1.195 412 A CA 1.141 53.123 52.037 -0.091 0.000 0.610 412 A CB -0.439 18.601 19.000 0.066 0.000 0.837 412 A HN 0.512 nan 8.150 nan 0.000 0.444 413 R N -0.578 119.739 120.500 -0.306 0.000 2.339 413 R HA 0.163 4.505 4.340 0.004 0.000 0.199 413 R C 0.808 176.890 176.300 -0.363 0.000 1.018 413 R CA 1.104 57.043 56.100 -0.268 0.000 1.036 413 R CB -0.278 29.873 30.300 -0.247 0.000 0.899 413 R HN 0.229 nan 8.270 nan 0.000 0.473 414 V N 0.543 120.221 119.914 -0.393 0.000 3.605 414 V HA 0.137 4.259 4.120 0.004 0.000 0.284 414 V C -0.084 175.873 176.094 -0.228 0.000 1.386 414 V CA -0.189 61.825 62.300 -0.476 0.000 1.053 414 V CB -0.378 31.166 31.823 -0.465 0.000 0.857 414 V HN 0.438 nan 8.190 nan 0.000 0.436 415 K N -0.292 120.011 120.400 -0.161 0.000 3.244 415 K HA -0.237 4.085 4.320 0.004 0.000 0.270 415 K C 0.665 177.305 176.600 0.068 0.000 1.016 415 K CA 0.633 56.909 56.287 -0.018 0.000 0.754 415 K CB -1.379 31.110 32.500 -0.018 0.000 1.326 415 K HN 0.412 nan 8.250 nan 0.000 0.465 416 I N 1.771 122.274 120.570 -0.111 0.000 2.394 416 I HA -0.257 3.916 4.170 0.004 0.000 0.251 416 I C 2.518 178.661 176.117 0.045 0.000 1.136 416 I CA 1.672 62.902 61.300 -0.116 0.000 1.425 416 I CB 0.033 37.867 38.000 -0.278 0.000 1.079 416 I HN 0.409 nan 8.210 nan 0.000 0.425 417 E N 0.131 120.387 120.200 0.094 0.000 2.219 417 E HA -0.234 4.118 4.350 0.004 0.000 0.198 417 E C 1.691 178.340 176.600 0.081 0.000 0.998 417 E CA 1.767 58.180 56.400 0.022 0.000 0.818 417 E CB -0.748 28.847 29.700 -0.173 0.000 0.741 417 E HN 0.618 nan 8.360 nan 0.000 0.477 418 S N -0.544 115.210 115.700 0.089 0.000 2.603 418 S HA 0.547 5.019 4.470 0.004 0.000 0.232 418 S C 0.808 175.397 174.600 -0.019 0.000 1.016 418 S CA -0.150 58.114 58.200 0.106 0.000 0.976 418 S CB 0.397 63.699 63.200 0.170 0.000 0.921 418 S HN 0.451 nan 8.310 nan 0.000 0.516 419 A N 1.813 124.478 122.820 -0.259 0.000 2.462 419 A HA 0.336 4.659 4.320 0.004 0.000 0.243 419 A C 1.013 178.446 177.584 -0.252 0.000 1.076 419 A CA 0.023 51.681 52.037 -0.631 0.000 0.773 419 A CB -0.120 18.537 19.000 -0.571 0.000 1.010 419 A HN 0.309 nan 8.150 nan 0.000 0.493 420 D N 0.976 121.254 120.400 -0.202 0.000 2.117 420 D HA 0.167 4.810 4.640 0.004 0.000 0.197 420 D C 0.623 176.925 176.300 0.003 0.000 0.987 420 D CA 2.260 56.246 54.000 -0.023 0.000 0.829 420 D CB 0.067 40.927 40.800 0.101 0.000 0.961 420 D HN 0.885 nan 8.370 nan 0.000 0.460 421 A N -1.761 121.037 122.820 -0.036 0.000 2.610 421 A HA 0.538 4.861 4.320 0.004 0.000 0.291 421 A C -1.541 175.954 177.584 -0.149 0.000 1.086 421 A CA -0.543 51.473 52.037 -0.036 0.000 0.677 421 A CB 1.271 20.349 19.000 0.130 0.000 1.278 421 A HN 0.220 nan 8.150 nan 0.000 0.414 422 C N 1.410 120.629 119.300 -0.134 0.000 2.379 422 C HA 0.814 5.277 4.460 0.004 0.000 0.323 422 C C -1.378 173.520 174.990 -0.154 0.000 1.262 422 C CA -0.584 58.328 59.018 -0.177 0.000 1.581 422 C CB -0.324 27.328 27.740 -0.146 0.000 2.221 422 C HN 0.726 nan 8.230 nan 0.000 0.497 423 L N 7.405 128.490 121.223 -0.231 0.000 2.305 423 L HA 0.560 4.903 4.340 0.004 0.000 0.284 423 L C 0.028 176.777 176.870 -0.201 0.000 1.013 423 L CA -0.126 54.588 54.840 -0.210 0.000 0.819 423 L CB 1.323 43.191 42.059 -0.319 0.000 1.227 423 L HN 0.531 nan 8.230 nan 0.000 0.417 424 I N 4.859 125.362 120.570 -0.112 0.000 2.325 424 I HA 0.289 4.462 4.170 0.004 0.000 0.291 424 I C -0.100 175.963 176.117 -0.090 0.000 1.019 424 I CA -0.364 60.881 61.300 -0.093 0.000 1.302 424 I CB 0.999 38.973 38.000 -0.043 0.000 1.401 424 I HN 0.395 nan 8.210 nan 0.000 0.485 425 L N 5.588 126.751 121.223 -0.101 0.000 2.282 425 L HA 0.578 4.921 4.340 0.004 0.000 0.288 425 L C 0.550 177.398 176.870 -0.037 0.000 1.033 425 L CA -0.548 54.253 54.840 -0.066 0.000 0.807 425 L CB 1.666 43.686 42.059 -0.065 0.000 1.209 425 L HN 0.676 nan 8.230 nan 0.000 0.423 426 A N 2.794 125.580 122.820 -0.056 0.000 2.302 426 A HA 0.242 4.564 4.320 0.004 0.000 0.285 426 A C 0.123 177.602 177.584 -0.174 0.000 1.105 426 A CA -0.550 51.430 52.037 -0.095 0.000 0.816 426 A CB 0.437 19.369 19.000 -0.113 0.000 1.067 426 A HN 0.744 nan 8.150 nan 0.000 0.489 427 N N 1.108 119.635 118.700 -0.288 0.000 2.466 427 N HA 0.015 4.758 4.740 0.004 0.000 0.263 427 N C 0.702 175.944 175.510 -0.447 0.000 1.178 427 N CA 0.154 52.840 53.050 -0.606 0.000 0.983 427 N CB 0.243 38.408 38.487 -0.536 0.000 1.331 427 N HN 0.617 nan 8.380 nan 0.000 0.500 428 K N 2.157 122.199 120.400 -0.596 0.000 2.160 428 K HA -0.175 4.148 4.320 0.004 0.000 0.206 428 K C 0.326 176.559 176.600 -0.612 0.000 1.047 428 K CA 1.582 57.442 56.287 -0.712 0.000 0.930 428 K CB -0.011 31.843 32.500 -1.077 0.000 0.720 428 K HN 0.559 nan 8.250 nan 0.000 0.450 429 Y N -0.782 119.467 120.300 -0.085 0.000 2.507 429 Y HA 0.166 4.718 4.550 0.004 0.000 0.254 429 Y C 0.711 176.587 175.900 -0.041 0.000 1.171 429 Y CA -1.490 56.586 58.100 -0.041 0.000 1.238 429 Y CB -0.585 37.861 38.460 -0.023 0.000 1.148 429 Y HN 0.028 nan 8.280 nan 0.000 0.525 430 C N 1.375 120.674 119.300 -0.001 0.000 2.642 430 C HA 0.417 4.879 4.460 0.004 0.000 0.420 430 C C 1.970 176.979 174.990 0.032 0.000 1.349 430 C CA 0.369 59.389 59.018 0.003 0.000 1.821 430 C CB 0.033 27.746 27.740 -0.045 0.000 2.637 430 C HN 0.672 nan 8.230 nan 0.000 0.605 431 A N 3.229 126.075 122.820 0.044 0.000 2.066 431 A HA 0.056 4.378 4.320 0.004 0.000 0.218 431 A C 1.073 178.686 177.584 0.049 0.000 1.157 431 A CA 1.522 53.591 52.037 0.053 0.000 0.670 431 A CB -0.237 18.794 19.000 0.050 0.000 0.804 431 A HN 0.938 nan 8.150 nan 0.000 0.453 432 D N -1.346 119.077 120.400 0.037 0.000 2.460 432 D HA 0.352 4.994 4.640 0.004 0.000 0.268 432 D C -2.118 174.199 176.300 0.028 0.000 1.153 432 D CA -2.177 51.846 54.000 0.038 0.000 0.929 432 D CB 1.092 41.912 40.800 0.034 0.000 1.015 432 D HN -0.010 nan 8.370 nan 0.000 0.502 433 P HA -0.100 nan 4.420 nan 0.000 0.215 433 P C 0.910 178.214 177.300 0.007 0.000 1.153 433 P CA 0.798 63.903 63.100 0.009 0.000 0.853 433 P CB 0.483 32.196 31.700 0.021 0.000 0.788 434 D N -0.871 119.557 120.400 0.047 0.000 2.149 434 D HA -0.131 4.512 4.640 0.004 0.000 0.198 434 D C 1.978 178.296 176.300 0.031 0.000 0.990 434 D CA 1.598 55.638 54.000 0.067 0.000 0.839 434 D CB -0.671 40.201 40.800 0.121 0.000 0.948 434 D HN 0.069 nan 8.370 nan 0.000 0.460 435 A N 0.434 123.267 122.820 0.022 0.000 1.968 435 A HA -0.138 4.185 4.320 0.004 0.000 0.217 435 A C 2.097 179.680 177.584 -0.002 0.000 1.169 435 A CA 1.631 53.673 52.037 0.010 0.000 0.638 435 A CB -0.345 18.663 19.000 0.014 0.000 0.812 435 A HN 0.160 nan 8.150 nan 0.000 0.446 436 E N 0.598 120.792 120.200 -0.009 0.000 2.072 436 E HA -0.168 4.184 4.350 0.004 0.000 0.190 436 E C 1.285 177.862 176.600 -0.038 0.000 0.982 436 E CA 1.599 57.983 56.400 -0.026 0.000 0.803 436 E CB -0.263 29.410 29.700 -0.045 0.000 0.755 436 E HN 0.450 nan 8.360 nan 0.000 0.453 437 D N -0.069 120.305 120.400 -0.044 0.000 2.144 437 D HA -0.083 4.560 4.640 0.004 0.000 0.199 437 D C 1.758 178.029 176.300 -0.050 0.000 0.984 437 D CA 1.510 55.474 54.000 -0.061 0.000 0.834 437 D CB -0.400 40.352 40.800 -0.080 0.000 0.955 437 D HN 0.333 nan 8.370 nan 0.000 0.465 438 A N 0.679 123.481 122.820 -0.030 0.000 1.933 438 A HA -0.169 4.153 4.320 0.004 0.000 0.218 438 A C 2.315 179.878 177.584 -0.035 0.000 1.175 438 A CA 2.282 54.298 52.037 -0.035 0.000 0.628 438 A CB -0.655 18.328 19.000 -0.028 0.000 0.814 438 A HN 0.322 nan 8.150 nan 0.000 0.444 439 S N 0.471 116.156 115.700 -0.024 0.000 2.402 439 S HA -0.165 4.307 4.470 0.004 0.000 0.229 439 S C 1.643 176.231 174.600 -0.020 0.000 1.021 439 S CA 1.336 59.528 58.200 -0.014 0.000 0.974 439 S CB -0.610 62.590 63.200 0.001 0.000 0.800 439 S HN 0.586 nan 8.310 nan 0.000 0.484 440 N N 1.815 120.494 118.700 -0.035 0.000 2.216 440 N HA 0.141 4.883 4.740 0.004 0.000 0.183 440 N C 1.748 177.224 175.510 -0.056 0.000 1.017 440 N CA 1.223 54.248 53.050 -0.042 0.000 0.861 440 N CB -0.514 37.940 38.487 -0.055 0.000 0.986 440 N HN 0.466 nan 8.380 nan 0.000 0.428 441 I N 0.699 121.224 120.570 -0.075 0.000 2.208 441 I HA -0.264 3.908 4.170 0.004 0.000 0.245 441 I C 2.316 178.399 176.117 -0.056 0.000 1.097 441 I CA 0.944 62.187 61.300 -0.095 0.000 1.363 441 I CB -0.112 37.828 38.000 -0.100 0.000 1.051 441 I HN 0.025 nan 8.210 nan 0.000 0.413 442 M N 0.599 120.176 119.600 -0.037 0.000 2.080 442 M HA -0.191 4.291 4.480 0.004 0.000 0.260 442 M C 2.318 178.617 176.300 -0.003 0.000 1.068 442 M CA 1.831 57.121 55.300 -0.017 0.000 1.109 442 M CB -0.411 32.183 32.600 -0.011 0.000 1.342 442 M HN 0.009 nan 8.290 nan 0.000 0.405 443 R N -1.058 119.440 120.500 -0.004 0.000 2.097 443 R HA -0.177 4.165 4.340 0.004 0.000 0.236 443 R C 2.041 178.350 176.300 0.015 0.000 1.135 443 R CA 2.042 58.145 56.100 0.004 0.000 0.934 443 R CB -1.368 28.930 30.300 -0.004 0.000 0.846 443 R HN 0.307 nan 8.270 nan 0.000 0.431 444 V N 1.846 121.770 119.914 0.016 0.000 2.250 444 V HA -0.314 3.809 4.120 0.004 0.000 0.250 444 V C 2.400 178.532 176.094 0.063 0.000 1.060 444 V CA 2.127 64.462 62.300 0.058 0.000 1.030 444 V CB -0.549 31.302 31.823 0.048 0.000 0.643 444 V HN 0.301 nan 8.190 nan 0.000 0.445 445 I N 0.132 120.723 120.570 0.034 0.000 2.099 445 I HA -0.289 3.883 4.170 0.004 0.000 0.239 445 I C 2.795 178.946 176.117 0.056 0.000 1.066 445 I CA 2.023 63.347 61.300 0.041 0.000 1.324 445 I CB -0.681 37.330 38.000 0.018 0.000 1.037 445 I HN 0.427 nan 8.210 nan 0.000 0.401 446 S N 1.336 117.065 115.700 0.049 0.000 2.368 446 S HA -0.238 4.235 4.470 0.004 0.000 0.226 446 S C 2.094 176.750 174.600 0.092 0.000 1.044 446 S CA 1.762 60.001 58.200 0.065 0.000 1.062 446 S CB -0.524 62.705 63.200 0.048 0.000 0.931 446 S HN 0.353 nan 8.310 nan 0.000 0.440 447 I N 0.999 121.609 120.570 0.066 0.000 2.226 447 I HA -0.165 4.008 4.170 0.004 0.000 0.245 447 I C 2.548 178.733 176.117 0.113 0.000 1.100 447 I CA 1.273 62.610 61.300 0.062 0.000 1.374 447 I CB -0.274 37.737 38.000 0.019 0.000 1.057 447 I HN 0.254 nan 8.210 nan 0.000 0.413 448 K N 0.391 120.850 120.400 0.099 0.000 2.155 448 K HA -0.066 4.256 4.320 0.004 0.000 0.203 448 K C 1.748 178.412 176.600 0.108 0.000 1.052 448 K CA 0.872 57.214 56.287 0.091 0.000 0.948 448 K CB -0.587 31.967 32.500 0.090 0.000 0.728 448 K HN 0.291 nan 8.250 nan 0.000 0.448 449 N N 0.704 119.472 118.700 0.113 0.000 2.120 449 N HA -0.171 4.572 4.740 0.004 0.000 0.188 449 N C 1.738 177.325 175.510 0.129 0.000 1.024 449 N CA 0.907 54.018 53.050 0.100 0.000 0.852 449 N CB -0.443 38.094 38.487 0.083 0.000 1.003 449 N HN 0.261 nan 8.380 nan 0.000 0.424 450 Y N 0.130 120.464 120.300 0.057 0.000 2.097 450 Y HA -0.171 4.382 4.550 0.004 0.000 0.282 450 Y C 0.863 176.845 175.900 0.136 0.000 1.152 450 Y CA 1.789 59.933 58.100 0.073 0.000 1.136 450 Y CB 0.094 38.591 38.460 0.062 0.000 0.975 450 Y HN 0.173 nan 8.280 nan 0.000 0.498 451 H N -0.329 118.907 119.070 0.277 0.000 3.059 451 H HA 0.227 4.785 4.556 0.004 0.000 0.302 451 H C -2.578 172.810 175.328 0.100 0.000 1.264 451 H CA -2.075 54.076 56.048 0.172 0.000 1.615 451 H CB 1.391 31.331 29.762 0.298 0.000 1.795 451 H HN 0.009 nan 8.280 nan 0.000 0.556 452 P HA 0.057 nan 4.420 nan 0.000 0.263 452 P C 0.563 177.755 177.300 -0.181 0.000 1.386 452 P CA 0.635 63.694 63.100 -0.069 0.000 0.797 452 P CB -0.062 31.632 31.700 -0.009 0.000 1.381 453 K N -1.426 118.724 120.400 -0.416 0.000 2.521 453 K HA 0.173 4.495 4.320 0.004 0.000 0.213 453 K C 0.576 176.980 176.600 -0.326 0.000 1.223 453 K CA -0.523 55.554 56.287 -0.350 0.000 1.013 453 K CB 0.344 32.665 32.500 -0.299 0.000 1.017 453 K HN -0.017 nan 8.250 nan 0.000 0.591 454 I N 2.141 122.490 120.570 -0.368 0.000 2.932 454 I HA -0.106 4.066 4.170 0.004 0.000 0.295 454 I C 0.025 176.052 176.117 -0.151 0.000 1.227 454 I CA 0.509 61.700 61.300 -0.181 0.000 1.429 454 I CB 0.428 38.371 38.000 -0.095 0.000 1.339 454 I HN 0.058 nan 8.210 nan 0.000 0.589 455 R N 7.691 128.117 120.500 -0.123 0.000 2.254 455 R HA 0.487 4.829 4.340 0.004 0.000 0.318 455 R C -1.207 175.024 176.300 -0.115 0.000 1.031 455 R CA -0.511 55.504 56.100 -0.143 0.000 0.905 455 R CB 0.384 30.619 30.300 -0.107 0.000 1.050 455 R HN 0.678 nan 8.270 nan 0.000 0.456 456 I N 6.348 126.825 120.570 -0.154 0.000 2.362 456 I HA 0.299 4.471 4.170 0.004 0.000 0.289 456 I C -0.131 175.977 176.117 -0.014 0.000 0.994 456 I CA -0.905 60.372 61.300 -0.039 0.000 1.158 456 I CB 1.618 39.690 38.000 0.119 0.000 1.315 456 I HN 0.395 nan 8.210 nan 0.000 0.451 457 I N 4.665 125.252 120.570 0.029 0.000 2.336 457 I HA 0.427 4.599 4.170 0.004 0.000 0.292 457 I C 0.261 176.430 176.117 0.087 0.000 0.991 457 I CA -0.063 61.281 61.300 0.073 0.000 1.227 457 I CB 1.303 39.336 38.000 0.054 0.000 1.366 457 I HN 0.559 nan 8.210 nan 0.000 0.466 458 T N 5.340 119.975 114.554 0.135 0.000 2.896 458 T HA 0.452 4.804 4.350 0.004 0.000 0.297 458 T C -0.813 173.906 174.700 0.032 0.000 1.108 458 T CA -0.486 61.653 62.100 0.064 0.000 1.004 458 T CB 1.891 70.793 68.868 0.057 0.000 1.159 458 T HN 0.606 nan 8.240 nan 0.000 0.499 459 Q N 2.185 121.977 119.800 -0.013 0.000 2.222 459 Q HA 0.612 4.955 4.340 0.004 0.000 0.252 459 Q C -0.610 175.353 176.000 -0.062 0.000 0.926 459 Q CA -0.892 54.891 55.803 -0.032 0.000 0.899 459 Q CB 1.608 30.319 28.738 -0.045 0.000 1.250 459 Q HN 0.461 nan 8.270 nan 0.000 0.441 460 M N 2.178 121.735 119.600 -0.072 0.000 2.465 460 M HA 0.219 4.702 4.480 0.004 0.000 0.316 460 M C 0.044 176.289 176.300 -0.092 0.000 1.121 460 M CA -0.552 54.687 55.300 -0.102 0.000 0.934 460 M CB 1.762 34.277 32.600 -0.142 0.000 1.692 460 M HN 0.595 nan 8.290 nan 0.000 0.444 461 L N 1.033 122.193 121.223 -0.104 0.000 2.131 461 L HA -0.034 4.308 4.340 0.004 0.000 0.206 461 L C 0.602 177.424 176.870 -0.080 0.000 1.087 461 L CA 1.515 56.304 54.840 -0.085 0.000 0.767 461 L CB -0.045 41.966 42.059 -0.080 0.000 0.917 461 L HN 0.552 nan 8.230 nan 0.000 0.441 462 Q N -2.467 117.239 119.800 -0.157 0.000 2.337 462 Q HA 0.137 4.479 4.340 0.004 0.000 0.270 462 Q C 0.115 175.968 176.000 -0.244 0.000 1.043 462 Q CA -0.500 55.170 55.803 -0.222 0.000 0.794 462 Q CB 1.316 29.766 28.738 -0.480 0.000 1.281 462 Q HN 0.118 nan 8.270 nan 0.000 0.446 463 Y N 3.579 123.762 120.300 -0.194 0.000 2.256 463 Y HA -0.273 4.280 4.550 0.004 0.000 0.288 463 Y C 2.177 177.984 175.900 -0.154 0.000 1.155 463 Y CA 2.551 60.573 58.100 -0.129 0.000 1.203 463 Y CB 0.328 38.760 38.460 -0.046 0.000 0.980 463 Y HN 0.805 nan 8.280 nan 0.000 0.530 464 H N -2.072 117.016 119.070 0.030 0.000 2.491 464 H HA -0.045 4.513 4.556 0.004 0.000 0.290 464 H C 1.037 176.195 175.328 -0.283 0.000 1.050 464 H CA 1.170 57.160 56.048 -0.096 0.000 1.309 464 H CB -0.328 29.432 29.762 -0.004 0.000 1.392 464 H HN 0.350 nan 8.280 nan 0.000 0.554 465 N N 1.395 119.829 118.700 -0.444 0.000 2.376 465 N HA -0.067 4.675 4.740 0.004 0.000 0.177 465 N C 1.893 177.208 175.510 -0.325 0.000 1.024 465 N CA 0.370 53.266 53.050 -0.256 0.000 0.893 465 N CB 0.020 38.381 38.487 -0.210 0.000 0.980 465 N HN 0.443 nan 8.380 nan 0.000 0.439 466 K N 1.329 121.488 120.400 -0.403 0.000 2.063 466 K HA -0.075 4.247 4.320 0.004 0.000 0.208 466 K C 1.883 178.216 176.600 -0.445 0.000 1.048 466 K CA 1.294 57.331 56.287 -0.416 0.000 0.928 466 K CB -0.040 32.175 32.500 -0.475 0.000 0.713 466 K HN 0.069 nan 8.250 nan 0.000 0.442 467 A N 1.032 123.539 122.820 -0.521 0.000 1.948 467 A HA -0.212 4.111 4.320 0.004 0.000 0.220 467 A C 1.692 179.066 177.584 -0.350 0.000 1.177 467 A CA 1.689 53.465 52.037 -0.436 0.000 0.636 467 A CB -0.850 17.889 19.000 -0.435 0.000 0.815 467 A HN 0.421 nan 8.150 nan 0.000 0.449 468 H N -0.382 118.570 119.070 -0.197 0.000 2.489 468 H HA 0.009 4.567 4.556 0.004 0.000 0.293 468 H C 1.820 177.004 175.328 -0.240 0.000 1.066 468 H CA 1.156 57.101 56.048 -0.171 0.000 1.305 468 H CB -0.377 29.303 29.762 -0.136 0.000 1.386 468 H HN 0.462 nan 8.280 nan 0.000 0.551 469 L N 0.109 121.149 121.223 -0.305 0.000 2.353 469 L HA -0.145 4.197 4.340 0.004 0.000 0.220 469 L C 1.677 178.309 176.870 -0.396 0.000 1.133 469 L CA 0.190 54.686 54.840 -0.575 0.000 0.798 469 L CB -0.168 41.144 42.059 -1.245 0.000 0.922 469 L HN 0.141 nan 8.230 nan 0.000 0.445 470 L N -0.537 120.567 121.223 -0.199 0.000 2.478 470 L HA -0.047 4.295 4.340 0.004 0.000 0.223 470 L C 2.004 178.879 176.870 0.008 0.000 1.140 470 L CA 1.034 55.853 54.840 -0.035 0.000 0.842 470 L CB -0.717 41.327 42.059 -0.024 0.000 0.953 470 L HN 0.242 nan 8.230 nan 0.000 0.452 471 N N -0.301 118.394 118.700 -0.009 0.000 2.409 471 N HA 0.047 4.790 4.740 0.004 0.000 0.179 471 N C 0.680 176.202 175.510 0.020 0.000 1.032 471 N CA 0.409 53.467 53.050 0.013 0.000 0.898 471 N CB 0.148 38.644 38.487 0.015 0.000 0.971 471 N HN 0.250 nan 8.380 nan 0.000 0.441 472 I N 3.755 124.336 120.570 0.017 0.000 2.494 472 I HA 0.003 4.175 4.170 0.004 0.000 0.289 472 I C -0.979 175.203 176.117 0.107 0.000 1.106 472 I CA -1.166 60.169 61.300 0.058 0.000 1.369 472 I CB 1.075 39.115 38.000 0.067 0.000 1.410 472 I HN -0.036 nan 8.210 nan 0.000 0.523 473 P HA -0.166 nan 4.420 nan 0.000 0.216 473 P C 1.022 178.371 177.300 0.081 0.000 1.150 473 P CA 1.255 64.397 63.100 0.069 0.000 0.837 473 P CB 0.093 31.820 31.700 0.045 0.000 0.786 474 S N -3.262 112.493 115.700 0.091 0.000 2.575 474 S HA 0.011 4.484 4.470 0.004 0.000 0.215 474 S C 0.504 175.165 174.600 0.101 0.000 0.966 474 S CA -0.804 57.437 58.200 0.069 0.000 0.911 474 S CB -0.855 62.371 63.200 0.044 0.000 0.780 474 S HN 0.251 nan 8.310 nan 0.000 0.514 475 W N 3.274 124.560 121.300 -0.022 0.000 2.388 475 W HA 0.500 5.162 4.660 0.004 0.000 0.308 475 W C -0.993 175.511 176.519 -0.025 0.000 1.263 475 W CA -0.767 56.562 57.345 -0.026 0.000 1.286 475 W CB 0.442 29.888 29.460 -0.024 0.000 1.294 475 W HN 0.129 nan 8.180 nan 0.000 0.493 476 N N 5.973 124.400 118.700 -0.455 0.000 2.573 476 N HA 0.139 4.881 4.740 0.004 0.000 0.262 476 N C 1.050 176.309 175.510 -0.418 0.000 1.029 476 N CA -0.114 52.756 53.050 -0.300 0.000 0.882 476 N CB -0.223 38.157 38.487 -0.179 0.000 1.204 476 N HN 0.535 nan 8.380 nan 0.000 0.519 477 W N 3.786 124.931 121.300 -0.258 0.000 2.318 477 W HA -0.176 4.487 4.660 0.004 0.000 0.313 477 W C 1.720 178.162 176.519 -0.128 0.000 1.221 477 W CA 1.448 58.699 57.345 -0.156 0.000 1.266 477 W CB -0.676 28.796 29.460 0.021 0.000 1.150 477 W HN 0.496 nan 8.180 nan 0.000 0.496 478 K N -0.027 120.322 120.400 -0.085 0.000 2.074 478 K HA -0.182 4.140 4.320 0.004 0.000 0.209 478 K C 1.317 177.868 176.600 -0.082 0.000 1.048 478 K CA 1.746 57.997 56.287 -0.060 0.000 0.926 478 K CB -0.916 31.563 32.500 -0.035 0.000 0.713 478 K HN 0.594 nan 8.250 nan 0.000 0.444 479 E N -0.293 119.835 120.200 -0.120 0.000 2.476 479 E HA 0.048 4.401 4.350 0.004 0.000 0.191 479 E C 0.435 176.938 176.600 -0.162 0.000 1.064 479 E CA 0.302 56.628 56.400 -0.124 0.000 0.866 479 E CB 0.315 29.942 29.700 -0.121 0.000 0.952 479 E HN 0.565 nan 8.360 nan 0.000 0.492 480 G N 1.958 110.642 108.800 -0.194 0.000 2.168 480 G HA2 -0.161 3.802 3.960 0.004 0.000 0.197 480 G HA3 -0.161 3.802 3.960 0.004 0.000 0.197 480 G C -0.297 174.432 174.900 -0.285 0.000 0.997 480 G CA -0.425 44.557 45.100 -0.197 0.000 0.658 480 G HN 0.149 nan 8.290 nan 0.000 0.513 481 D N 1.872 121.979 120.400 -0.488 0.000 2.390 481 D HA 0.457 5.099 4.640 0.004 0.000 0.249 481 D C -0.134 175.810 176.300 -0.594 0.000 1.144 481 D CA 0.571 54.083 54.000 -0.814 0.000 0.880 481 D CB 1.025 40.800 40.800 -1.707 0.000 1.182 481 D HN 0.299 nan 8.370 nan 0.000 0.451 482 D N 0.318 120.573 120.400 -0.242 0.000 2.619 482 D HA 0.539 5.182 4.640 0.004 0.000 0.241 482 D C -0.763 175.754 176.300 0.362 0.000 1.087 482 D CA -0.621 53.437 54.000 0.097 0.000 0.851 482 D CB 2.131 42.952 40.800 0.035 0.000 1.474 482 D HN 0.262 nan 8.370 nan 0.000 0.478 483 A N 2.141 125.167 122.820 0.342 0.000 2.291 483 A HA 0.571 4.893 4.320 0.004 0.000 0.311 483 A C -0.317 177.318 177.584 0.084 0.000 1.224 483 A CA -0.643 51.509 52.037 0.192 0.000 0.821 483 A CB 0.301 19.348 19.000 0.077 0.000 1.172 483 A HN 0.522 nan 8.150 nan 0.000 0.494 484 I N 2.643 123.243 120.570 0.049 0.000 2.291 484 I HA 0.148 4.320 4.170 0.004 0.000 0.292 484 I C 0.217 176.336 176.117 0.004 0.000 1.064 484 I CA -0.169 61.144 61.300 0.021 0.000 1.269 484 I CB 0.913 38.917 38.000 0.007 0.000 1.418 484 I HN 0.660 nan 8.210 nan 0.000 0.485 485 C N 7.422 126.732 119.300 0.016 0.000 2.394 485 C HA 0.309 4.771 4.460 0.004 0.000 0.362 485 C C 1.681 176.685 174.990 0.024 0.000 1.268 485 C CA -0.496 58.530 59.018 0.013 0.000 1.828 485 C CB -0.505 27.267 27.740 0.054 0.000 2.442 485 C HN 0.885 nan 8.230 nan 0.000 0.549 486 L N 4.884 126.107 121.223 0.000 0.000 2.072 486 L HA -0.005 4.337 4.340 0.004 0.000 0.205 486 L C 2.698 179.589 176.870 0.035 0.000 1.079 486 L CA 1.692 56.535 54.840 0.005 0.000 0.752 486 L CB -0.655 41.389 42.059 -0.025 0.000 0.906 486 L HN 0.906 nan 8.230 nan 0.000 0.436 487 A N 0.805 123.650 122.820 0.041 0.000 1.897 487 A HA -0.208 4.115 4.320 0.004 0.000 0.215 487 A C 2.179 179.804 177.584 0.068 0.000 1.181 487 A CA 1.461 53.535 52.037 0.060 0.000 0.620 487 A CB -0.455 18.582 19.000 0.061 0.000 0.821 487 A HN 0.585 nan 8.150 nan 0.000 0.443 488 E N 0.082 120.334 120.200 0.086 0.000 2.110 488 E HA -0.152 4.201 4.350 0.004 0.000 0.193 488 E C 1.806 178.463 176.600 0.094 0.000 0.988 488 E CA 1.365 57.813 56.400 0.080 0.000 0.804 488 E CB -0.409 29.371 29.700 0.133 0.000 0.745 488 E HN 0.564 nan 8.360 nan 0.000 0.458 489 L N 0.598 121.881 121.223 0.100 0.000 2.127 489 L HA -0.004 4.338 4.340 0.004 0.000 0.203 489 L C 2.845 179.761 176.870 0.078 0.000 1.080 489 L CA 1.099 56.020 54.840 0.134 0.000 0.768 489 L CB -0.418 41.677 42.059 0.059 0.000 0.924 489 L HN 0.139 nan 8.230 nan 0.000 0.444 490 K N 1.185 121.607 120.400 0.037 0.000 2.001 490 K HA -0.209 4.114 4.320 0.004 0.000 0.214 490 K C 2.026 178.603 176.600 -0.038 0.000 1.050 490 K CA 1.764 58.078 56.287 0.044 0.000 0.934 490 K CB -0.205 32.376 32.500 0.135 0.000 0.718 490 K HN 0.192 nan 8.250 nan 0.000 0.443 491 L N -0.110 121.128 121.223 0.024 0.000 2.291 491 L HA 0.014 4.356 4.340 0.004 0.000 0.214 491 L C 2.515 179.397 176.870 0.019 0.000 1.120 491 L CA 0.770 55.615 54.840 0.010 0.000 0.799 491 L CB -0.484 41.595 42.059 0.033 0.000 0.925 491 L HN 0.476 nan 8.230 nan 0.000 0.446 492 G N -0.093 108.756 108.800 0.082 0.000 2.394 492 G HA2 -0.216 3.747 3.960 0.004 0.000 0.214 492 G HA3 -0.216 3.747 3.960 0.004 0.000 0.214 492 G C 1.468 176.436 174.900 0.114 0.000 1.176 492 G CA 0.290 45.453 45.100 0.104 0.000 0.786 492 G HN 0.183 nan 8.290 nan 0.000 0.533 493 F N 0.867 120.744 119.950 -0.121 0.000 2.065 493 F HA -0.116 4.414 4.527 0.004 0.000 0.298 493 F C 2.688 178.338 175.800 -0.249 0.000 1.112 493 F CA 1.043 58.931 58.000 -0.186 0.000 1.212 493 F CB -0.151 38.660 39.000 -0.315 0.000 0.975 493 F HN 0.062 nan 8.300 nan 0.000 0.476 494 I N -0.300 120.189 120.570 -0.135 0.000 2.226 494 I HA -0.311 3.861 4.170 0.004 0.000 0.245 494 I C 2.657 178.727 176.117 -0.078 0.000 1.100 494 I CA 1.064 62.273 61.300 -0.151 0.000 1.374 494 I CB -0.852 37.054 38.000 -0.156 0.000 1.057 494 I HN 0.116 nan 8.210 nan 0.000 0.413 495 A N 0.408 123.197 122.820 -0.052 0.000 1.883 495 A HA -0.243 4.079 4.320 0.004 0.000 0.217 495 A C 2.283 179.845 177.584 -0.038 0.000 1.186 495 A CA 1.507 53.516 52.037 -0.046 0.000 0.624 495 A CB -0.519 18.464 19.000 -0.029 0.000 0.822 495 A HN 0.391 nan 8.150 nan 0.000 0.444 496 Q N 0.164 119.945 119.800 -0.032 0.000 2.170 496 Q HA -0.088 4.254 4.340 0.004 0.000 0.203 496 Q C 2.290 178.279 176.000 -0.019 0.000 0.976 496 Q CA 1.636 57.428 55.803 -0.019 0.000 0.858 496 Q CB -0.699 28.000 28.738 -0.064 0.000 0.907 496 Q HN 0.652 nan 8.270 nan 0.000 0.433 497 S N 0.109 115.782 115.700 -0.046 0.000 2.447 497 S HA -0.089 4.383 4.470 0.004 0.000 0.233 497 S C 2.016 176.588 174.600 -0.045 0.000 1.006 497 S CA 0.599 58.776 58.200 -0.039 0.000 0.957 497 S CB -0.202 62.968 63.200 -0.049 0.000 0.773 497 S HN 0.418 nan 8.310 nan 0.000 0.507 498 C N 1.224 120.489 119.300 -0.058 0.000 2.446 498 C HA 0.132 4.594 4.460 0.004 0.000 0.279 498 C C 2.272 177.215 174.990 -0.078 0.000 1.366 498 C CA 0.277 59.247 59.018 -0.080 0.000 1.763 498 C CB -1.397 26.279 27.740 -0.106 0.000 1.929 498 C HN 0.554 nan 8.230 nan 0.000 0.509 499 L N 0.182 121.377 121.223 -0.046 0.000 2.249 499 L HA 0.190 4.532 4.340 0.004 0.000 0.207 499 L C 1.117 177.980 176.870 -0.011 0.000 1.090 499 L CA 0.891 55.720 54.840 -0.018 0.000 0.802 499 L CB -0.314 41.781 42.059 0.059 0.000 0.947 499 L HN 0.234 nan 8.230 nan 0.000 0.453 500 A N 0.303 123.123 122.820 0.001 0.000 2.679 500 A HA 0.335 4.657 4.320 0.004 0.000 0.288 500 A C -0.536 177.036 177.584 -0.021 0.000 1.160 500 A CA -0.427 51.601 52.037 -0.015 0.000 0.763 500 A CB 0.535 19.614 19.000 0.133 0.000 1.270 500 A HN 0.170 nan 8.150 nan 0.000 0.417 501 Q N 1.236 120.946 119.800 -0.150 0.000 2.333 501 Q HA 0.372 4.714 4.340 0.004 0.000 0.299 501 Q C 1.328 177.108 176.000 -0.367 0.000 1.067 501 Q CA 2.248 57.940 55.803 -0.185 0.000 0.943 501 Q CB 0.314 28.997 28.738 -0.092 0.000 1.233 501 Q HN 2.071 nan 8.270 nan 0.000 0.401 502 G N 3.233 111.926 108.800 -0.179 0.000 2.234 502 G HA2 -0.284 3.678 3.960 0.004 0.000 0.235 502 G HA3 -0.284 3.678 3.960 0.004 0.000 0.235 502 G C 0.567 175.406 174.900 -0.102 0.000 0.997 502 G CA 0.178 45.196 45.100 -0.137 0.000 0.623 502 G HN 0.631 nan 8.290 nan 0.000 0.514 503 L N 2.165 123.357 121.223 -0.052 0.000 2.043 503 L HA -0.144 4.199 4.340 0.004 0.000 0.212 503 L C 3.014 179.798 176.870 -0.143 0.000 1.075 503 L CA 3.582 58.333 54.840 -0.149 0.000 0.752 503 L CB -1.161 40.891 42.059 -0.012 0.000 0.891 503 L HN 0.791 nan 8.230 nan 0.000 0.432 504 S N -1.316 114.353 115.700 -0.051 0.000 2.370 504 S HA -0.217 4.255 4.470 0.004 0.000 0.226 504 S C 1.957 176.710 174.600 0.255 0.000 1.033 504 S CA 1.918 60.195 58.200 0.128 0.000 1.011 504 S CB -1.107 62.182 63.200 0.148 0.000 0.852 504 S HN 0.681 nan 8.310 nan 0.000 0.457 505 T N -0.867 113.696 114.554 0.015 0.000 3.043 505 T HA 0.148 4.500 4.350 0.004 0.000 0.263 505 T C 1.768 176.469 174.700 0.001 0.000 1.094 505 T CA 0.860 62.865 62.100 -0.158 0.000 1.127 505 T CB -0.460 67.947 68.868 -0.768 0.000 0.905 505 T HN 0.471 nan 8.240 nan 0.000 0.490 506 M N 0.203 119.766 119.600 -0.061 0.000 2.099 506 M HA 0.043 4.525 4.480 0.004 0.000 0.262 506 M C 1.877 178.145 176.300 -0.055 0.000 1.067 506 M CA 1.490 56.733 55.300 -0.095 0.000 1.124 506 M CB -0.302 32.113 32.600 -0.308 0.000 1.353 506 M HN 0.255 nan 8.290 nan 0.000 0.410 507 L N 0.953 122.147 121.223 -0.047 0.000 2.017 507 L HA -0.103 4.239 4.340 0.004 0.000 0.208 507 L C 2.800 179.749 176.870 0.132 0.000 1.073 507 L CA 2.232 57.095 54.840 0.039 0.000 0.745 507 L CB -1.360 40.611 42.059 -0.146 0.000 0.894 507 L HN 0.447 nan 8.230 nan 0.000 0.432 508 A N -0.826 122.107 122.820 0.188 0.000 1.972 508 A HA -0.198 4.124 4.320 0.004 0.000 0.219 508 A C 1.994 179.276 177.584 -0.503 0.000 1.169 508 A CA 1.803 53.737 52.037 -0.173 0.000 0.635 508 A CB -0.568 18.606 19.000 0.290 0.000 0.810 508 A HN 0.503 nan 8.150 nan 0.000 0.446 509 N N -0.346 118.263 118.700 -0.151 0.000 2.467 509 N HA 0.087 4.830 4.740 0.004 0.000 0.184 509 N C 1.197 176.587 175.510 -0.201 0.000 1.106 509 N CA 0.438 53.395 53.050 -0.155 0.000 0.892 509 N CB -0.100 38.387 38.487 0.000 0.000 0.969 509 N HN 0.499 nan 8.380 nan 0.000 0.454 510 L N -0.418 120.699 121.223 -0.178 0.000 2.509 510 L HA 0.075 4.418 4.340 0.004 0.000 0.222 510 L C 0.765 177.635 176.870 -0.000 0.000 1.123 510 L CA 0.613 55.415 54.840 -0.063 0.000 0.856 510 L CB -0.049 42.025 42.059 0.025 0.000 0.985 510 L HN 0.155 nan 8.230 nan 0.000 0.456 511 F N -2.895 117.049 119.950 -0.010 0.000 2.856 511 F HA 0.306 4.836 4.527 0.004 0.000 0.338 511 F C 0.880 176.664 175.800 -0.027 0.000 1.100 511 F CA -0.883 57.106 58.000 -0.018 0.000 1.150 511 F CB -0.534 38.487 39.000 0.035 0.000 1.101 511 F HN -0.126 nan 8.300 nan 0.000 0.548 512 S N 2.118 117.593 115.700 -0.375 0.000 2.545 512 S HA 0.603 5.075 4.470 0.004 0.000 0.275 512 S C -0.538 173.911 174.600 -0.252 0.000 1.299 512 S CA -0.415 57.623 58.200 -0.270 0.000 1.048 512 S CB 0.769 63.744 63.200 -0.376 0.000 0.938 512 S HN 0.251 nan 8.310 nan 0.000 0.496 513 M N 3.631 123.098 119.600 -0.222 0.000 2.072 513 M HA 0.602 5.084 4.480 0.004 0.000 0.331 513 M C -0.151 175.873 176.300 -0.460 0.000 1.004 513 M CA -0.251 54.910 55.300 -0.232 0.000 0.952 513 M CB 1.580 34.126 32.600 -0.090 0.000 1.511 513 M HN 0.630 nan 8.290 nan 0.000 0.422 514 R N 0.278 120.487 120.500 -0.484 0.000 2.905 514 R HA 0.773 5.115 4.340 0.004 0.000 0.260 514 R C -1.001 175.111 176.300 -0.313 0.000 1.086 514 R CA -0.708 55.033 56.100 -0.598 0.000 0.978 514 R CB 2.141 32.099 30.300 -0.570 0.000 1.215 514 R HN 0.603 nan 8.270 nan 0.000 0.480 515 S N 0.920 116.536 115.700 -0.140 0.000 2.422 515 S HA 0.355 4.827 4.470 0.004 0.000 0.308 515 S C -0.700 173.995 174.600 0.159 0.000 1.097 515 S CA -0.569 57.686 58.200 0.091 0.000 1.099 515 S CB 0.022 63.343 63.200 0.202 0.000 0.976 515 S HN 0.455 nan 8.310 nan 0.000 0.471 516 F N 4.073 124.034 119.950 0.019 0.000 2.594 516 F HA -0.114 4.416 4.527 0.004 0.000 0.384 516 F C 1.171 176.987 175.800 0.028 0.000 1.060 516 F CA 0.198 58.212 58.000 0.023 0.000 1.278 516 F CB 0.413 39.420 39.000 0.011 0.000 0.977 516 F HN 0.531 nan 8.300 nan 0.000 0.576 517 I N 3.712 124.630 120.570 0.581 0.000 3.419 517 I HA -0.080 4.093 4.170 0.004 0.000 0.286 517 I C 1.111 177.367 176.117 0.233 0.000 1.268 517 I CA 0.596 62.076 61.300 0.300 0.000 1.414 517 I CB -0.989 37.100 38.000 0.149 0.000 1.074 517 I HN 0.690 nan 8.210 nan 0.000 0.457 518 K N 1.618 122.192 120.400 0.290 0.000 3.150 518 K HA -0.193 4.129 4.320 0.004 0.000 0.267 518 K C -0.001 176.605 176.600 0.011 0.000 1.028 518 K CA 0.151 56.387 56.287 -0.085 0.000 0.753 518 K CB -1.670 30.733 32.500 -0.162 0.000 1.288 518 K HN 0.402 nan 8.250 nan 0.000 0.473 519 I N 1.260 121.897 120.570 0.111 0.000 2.556 519 I HA 0.005 4.177 4.170 0.004 0.000 0.284 519 I C 1.246 177.350 176.117 -0.021 0.000 1.114 519 I CA 0.413 61.726 61.300 0.021 0.000 1.418 519 I CB 0.580 38.575 38.000 -0.007 0.000 1.394 519 I HN 0.481 nan 8.210 nan 0.000 0.552 520 E N 3.759 123.931 120.200 -0.046 0.000 2.413 520 E HA 0.127 4.479 4.350 0.004 0.000 0.203 520 E C -0.093 176.474 176.600 -0.056 0.000 0.957 520 E CA -0.348 56.020 56.400 -0.054 0.000 0.950 520 E CB 0.032 29.703 29.700 -0.047 0.000 0.957 520 E HN 0.564 nan 8.360 nan 0.000 0.497 521 E N 1.763 121.928 120.200 -0.058 0.000 2.404 521 E HA 0.048 4.400 4.350 0.004 0.000 0.261 521 E C -0.400 176.165 176.600 -0.058 0.000 1.074 521 E CA 0.055 56.425 56.400 -0.050 0.000 0.917 521 E CB 0.352 30.019 29.700 -0.056 0.000 0.965 521 E HN 0.043 nan 8.360 nan 0.000 0.433 522 D N 1.237 121.628 120.400 -0.014 0.000 2.845 522 D HA 0.039 4.681 4.640 0.004 0.000 0.235 522 D C -0.380 175.966 176.300 0.076 0.000 1.158 522 D CA 0.186 54.208 54.000 0.036 0.000 0.990 522 D CB -0.049 40.807 40.800 0.093 0.000 1.094 522 D HN 0.231 nan 8.370 nan 0.000 0.486 523 T N -0.940 113.614 114.554 -0.000 0.000 2.952 523 T HA 0.186 4.539 4.350 0.004 0.000 0.286 523 T C 1.737 176.451 174.700 0.024 0.000 1.024 523 T CA -0.950 61.134 62.100 -0.027 0.000 1.029 523 T CB 0.931 69.681 68.868 -0.196 0.000 1.094 523 T HN 0.375 nan 8.240 nan 0.000 0.515 524 W N 1.963 123.269 121.300 0.010 0.000 2.321 524 W HA -0.199 4.463 4.660 0.004 0.000 0.306 524 W C 1.249 177.650 176.519 -0.197 0.000 1.217 524 W CA 1.182 58.428 57.345 -0.165 0.000 1.257 524 W CB -1.100 28.049 29.460 -0.518 0.000 1.145 524 W HN 0.687 nan 8.180 nan 0.000 0.509 525 Q N 1.254 120.410 119.800 -1.073 0.000 2.217 525 Q HA -0.229 4.114 4.340 0.004 0.000 0.209 525 Q C 2.340 178.214 176.000 -0.210 0.000 0.988 525 Q CA 2.865 58.139 55.803 -0.880 0.000 0.878 525 Q CB -0.460 27.703 28.738 -0.957 0.000 0.909 525 Q HN 0.409 nan 8.270 nan 0.000 0.424 526 K N -0.702 119.600 120.400 -0.164 0.000 2.001 526 K HA -0.158 4.164 4.320 0.004 0.000 0.208 526 K C 1.533 178.102 176.600 -0.051 0.000 1.048 526 K CA 1.326 57.527 56.287 -0.143 0.000 0.932 526 K CB -0.079 32.239 32.500 -0.303 0.000 0.715 526 K HN 0.244 nan 8.250 nan 0.000 0.437 527 Y N -0.811 119.652 120.300 0.271 0.000 2.373 527 Y HA -0.174 4.378 4.550 0.003 0.000 0.293 527 Y C 2.157 178.291 175.900 0.390 0.000 1.129 527 Y CA 1.090 59.422 58.100 0.387 0.000 1.226 527 Y CB -0.468 38.330 38.460 0.564 0.000 1.000 527 Y HN 0.231 nan 8.280 nan 0.000 0.549 528 Y N 0.417 120.984 120.300 0.445 0.000 2.133 528 Y HA -0.207 4.345 4.550 0.004 0.000 0.287 528 Y C 1.909 177.901 175.900 0.154 0.000 1.134 528 Y CA 1.422 59.761 58.100 0.399 0.000 1.133 528 Y CB -0.724 37.992 38.460 0.427 0.000 0.987 528 Y HN 0.044 nan 8.280 nan 0.000 0.502 529 L N 0.232 121.365 121.223 -0.150 0.000 2.265 529 L HA -0.186 4.156 4.340 0.004 0.000 0.215 529 L C 2.318 178.812 176.870 -0.626 0.000 1.117 529 L CA 1.414 55.987 54.840 -0.444 0.000 0.782 529 L CB -0.444 41.412 42.059 -0.338 0.000 0.914 529 L HN 0.310 nan 8.230 nan 0.000 0.441 530 E N -0.164 119.858 120.200 -0.297 0.000 2.031 530 E HA -0.180 4.172 4.350 0.004 0.000 0.193 530 E C 2.253 178.763 176.600 -0.151 0.000 0.994 530 E CA 1.108 57.415 56.400 -0.154 0.000 0.800 530 E CB -0.357 29.424 29.700 0.134 0.000 0.752 530 E HN 0.526 nan 8.360 nan 0.000 0.447 531 G N 0.719 109.457 108.800 -0.104 0.000 2.469 531 G HA2 -0.270 3.692 3.960 0.004 0.000 0.220 531 G HA3 -0.270 3.692 3.960 0.004 0.000 0.220 531 G C 1.704 176.504 174.900 -0.166 0.000 1.136 531 G CA 0.987 46.026 45.100 -0.102 0.000 0.759 531 G HN 0.145 nan 8.290 nan 0.000 0.562 532 V N 1.838 121.571 119.914 -0.301 0.000 2.392 532 V HA -0.220 3.903 4.120 0.004 0.000 0.249 532 V C 3.208 179.170 176.094 -0.220 0.000 1.059 532 V CA 2.277 64.405 62.300 -0.285 0.000 1.051 532 V CB -0.602 31.011 31.823 -0.351 0.000 0.658 532 V HN 0.643 nan 8.190 nan 0.000 0.455 533 S N -0.059 115.497 115.700 -0.241 0.000 2.440 533 S HA -0.147 4.326 4.470 0.004 0.000 0.238 533 S C 0.919 175.500 174.600 -0.032 0.000 1.010 533 S CA 0.654 58.776 58.200 -0.129 0.000 0.972 533 S CB -0.908 62.253 63.200 -0.065 0.000 0.774 533 S HN 0.724 nan 8.310 nan 0.000 0.501 534 N N 2.150 120.832 118.700 -0.031 0.000 2.454 534 N HA 0.184 4.926 4.740 0.004 0.000 0.254 534 N C -0.272 175.230 175.510 -0.014 0.000 1.228 534 N CA 0.561 53.625 53.050 0.022 0.000 0.900 534 N CB 0.569 39.071 38.487 0.025 0.000 1.089 534 N HN 0.573 nan 8.380 nan 0.000 0.449 535 E N 0.501 120.701 120.200 0.000 0.000 2.404 535 E HA 0.420 4.772 4.350 0.004 0.000 0.264 535 E C -0.913 175.545 176.600 -0.238 0.000 0.946 535 E CA -0.778 55.519 56.400 -0.172 0.000 0.806 535 E CB 2.077 31.574 29.700 -0.338 0.000 1.334 535 E HN 0.395 nan 8.360 nan 0.000 0.429 536 M N 1.778 121.176 119.600 -0.336 0.000 2.167 536 M HA 0.433 4.915 4.480 0.004 0.000 0.333 536 M C -1.922 174.191 176.300 -0.312 0.000 1.030 536 M CA -0.217 54.982 55.300 -0.169 0.000 0.963 536 M CB 0.529 33.127 32.600 -0.003 0.000 1.589 536 M HN 0.451 nan 8.290 nan 0.000 0.431 537 Y N 1.179 121.558 120.300 0.131 0.000 2.630 537 Y HA 0.743 5.295 4.550 0.004 0.000 0.337 537 Y C -0.078 175.872 175.900 0.082 0.000 1.051 537 Y CA -0.848 57.306 58.100 0.091 0.000 1.121 537 Y CB 2.408 40.916 38.460 0.079 0.000 1.299 537 Y HN 0.538 nan 8.280 nan 0.000 0.498 538 T N 1.369 116.018 114.554 0.157 0.000 2.921 538 T HA 0.548 4.900 4.350 0.004 0.000 0.297 538 T C -1.841 172.805 174.700 -0.091 0.000 1.013 538 T CA -0.474 61.569 62.100 -0.094 0.000 0.990 538 T CB 0.968 69.575 68.868 -0.436 0.000 1.023 538 T HN 0.632 nan 8.240 nan 0.000 0.447 539 E N 2.994 123.177 120.200 -0.029 0.000 2.343 539 E HA 0.482 4.834 4.350 0.004 0.000 0.278 539 E C -1.693 174.853 176.600 -0.090 0.000 0.910 539 E CA -0.611 55.734 56.400 -0.093 0.000 0.757 539 E CB 0.864 30.523 29.700 -0.069 0.000 1.218 539 E HN 0.573 nan 8.360 nan 0.000 0.435 540 Y N 1.840 122.068 120.300 -0.120 0.000 2.379 540 Y HA 0.266 4.819 4.550 0.004 0.000 0.337 540 Y C 0.218 176.266 175.900 0.246 0.000 1.238 540 Y CA 0.126 58.216 58.100 -0.017 0.000 1.405 540 Y CB 0.489 38.825 38.460 -0.206 0.000 1.310 540 Y HN 0.411 nan 8.280 nan 0.000 0.569 541 L N 1.707 123.243 121.223 0.523 0.000 2.312 541 L HA 0.244 4.586 4.340 0.004 0.000 0.281 541 L C 0.497 177.697 176.870 0.550 0.000 1.070 541 L CA -0.070 55.105 54.840 0.557 0.000 0.805 541 L CB 1.186 43.534 42.059 0.481 0.000 1.174 541 L HN 0.650 nan 8.230 nan 0.000 0.434 542 S N 1.184 117.155 115.700 0.452 0.000 2.554 542 S HA -0.101 4.371 4.470 0.004 0.000 0.290 542 S C 1.560 176.189 174.600 0.050 0.000 1.309 542 S CA 0.447 58.665 58.200 0.030 0.000 1.047 542 S CB 0.584 63.666 63.200 -0.197 0.000 0.828 542 S HN 0.753 nan 8.310 nan 0.000 0.509 543 S N 3.602 119.257 115.700 -0.075 0.000 2.383 543 S HA -0.126 4.346 4.470 0.004 0.000 0.229 543 S C 2.058 176.639 174.600 -0.031 0.000 1.030 543 S CA 1.481 59.667 58.200 -0.023 0.000 1.002 543 S CB -0.816 62.342 63.200 -0.070 0.000 0.829 543 S HN 0.958 nan 8.310 nan 0.000 0.467 544 A N -0.250 122.478 122.820 -0.154 0.000 2.131 544 A HA 0.017 4.339 4.320 0.004 0.000 0.220 544 A C 1.599 179.131 177.584 -0.086 0.000 1.158 544 A CA 1.220 53.155 52.037 -0.170 0.000 0.665 544 A CB -0.706 18.132 19.000 -0.271 0.000 0.795 544 A HN 0.615 nan 8.150 nan 0.000 0.460 545 F N -0.576 119.453 119.950 0.131 0.000 2.446 545 F HA 0.124 4.653 4.527 0.004 0.000 0.292 545 F C 1.163 177.027 175.800 0.106 0.000 1.096 545 F CA -0.647 57.426 58.000 0.122 0.000 1.438 545 F CB -0.751 38.323 39.000 0.122 0.000 1.107 545 F HN -0.170 nan 8.300 nan 0.000 0.546 546 V N 1.219 121.295 119.914 0.269 0.000 2.726 546 V HA 0.152 4.274 4.120 0.004 0.000 0.304 546 V C 1.373 177.559 176.094 0.154 0.000 1.115 546 V CA 1.464 63.879 62.300 0.192 0.000 1.264 546 V CB -0.369 31.532 31.823 0.129 0.000 0.867 546 V HN 0.727 nan 8.190 nan 0.000 0.498 547 G N 3.329 112.212 108.800 0.139 0.000 2.268 547 G HA2 -0.232 3.730 3.960 0.004 0.000 0.240 547 G HA3 -0.232 3.730 3.960 0.004 0.000 0.240 547 G C 0.101 175.070 174.900 0.113 0.000 1.010 547 G CA 0.170 45.334 45.100 0.106 0.000 0.618 547 G HN 0.598 nan 8.290 nan 0.000 0.516 548 L N 1.961 123.272 121.223 0.147 0.000 2.472 548 L HA 0.523 4.866 4.340 0.004 0.000 0.260 548 L C 1.543 178.485 176.870 0.120 0.000 1.209 548 L CA 0.175 55.095 54.840 0.133 0.000 0.817 548 L CB 0.865 43.027 42.059 0.172 0.000 1.106 548 L HN 0.488 nan 8.230 nan 0.000 0.479 549 S N 0.043 115.801 115.700 0.097 0.000 2.601 549 S HA 0.137 4.609 4.470 0.004 0.000 0.271 549 S C 0.802 175.473 174.600 0.118 0.000 1.305 549 S CA -0.615 57.654 58.200 0.116 0.000 1.022 549 S CB 0.657 63.914 63.200 0.094 0.000 0.940 549 S HN 0.548 nan 8.310 nan 0.000 0.525 550 F N 3.553 123.525 119.950 0.037 0.000 2.043 550 F HA -0.025 4.505 4.527 0.004 0.000 0.297 550 F C -1.135 174.664 175.800 -0.002 0.000 1.118 550 F CA 1.863 59.867 58.000 0.007 0.000 1.202 550 F CB -1.609 37.392 39.000 0.002 0.000 0.965 550 F HN 0.473 nan 8.300 nan 0.000 0.482 551 P HA -0.186 nan 4.420 nan 0.000 0.216 551 P C 1.733 178.980 177.300 -0.090 0.000 1.153 551 P CA 3.062 66.162 63.100 -0.001 0.000 0.858 551 P CB -0.576 31.180 31.700 0.094 0.000 0.789 552 T N -2.945 111.584 114.554 -0.043 0.000 2.777 552 T HA -0.101 4.252 4.350 0.004 0.000 0.266 552 T C 1.857 176.511 174.700 -0.077 0.000 1.040 552 T CA 1.283 63.370 62.100 -0.020 0.000 1.141 552 T CB -1.532 67.355 68.868 0.031 0.000 0.868 552 T HN -0.111 nan 8.240 nan 0.000 0.444 553 V N 0.940 120.745 119.914 -0.182 0.000 2.427 553 V HA -0.163 3.959 4.120 0.004 0.000 0.248 553 V C 3.075 178.934 176.094 -0.392 0.000 1.051 553 V CA 1.366 63.447 62.300 -0.365 0.000 1.048 553 V CB -1.055 30.452 31.823 -0.526 0.000 0.666 553 V HN 0.767 nan 8.190 nan 0.000 0.456 554 C N 0.241 119.263 119.300 -0.463 0.000 2.413 554 C HA -0.213 4.249 4.460 0.004 0.000 0.276 554 C C 2.828 177.826 174.990 0.013 0.000 1.236 554 C CA 1.909 60.723 59.018 -0.340 0.000 1.735 554 C CB -0.736 26.702 27.740 -0.505 0.000 2.031 554 C HN 0.733 nan 8.230 nan 0.000 0.474 555 E N -0.069 120.157 120.200 0.044 0.000 2.058 555 E HA -0.215 4.137 4.350 0.004 0.000 0.194 555 E C 2.124 178.826 176.600 0.170 0.000 0.997 555 E CA 1.710 58.220 56.400 0.184 0.000 0.801 555 E CB -0.290 29.482 29.700 0.119 0.000 0.746 555 E HN 0.718 nan 8.360 nan 0.000 0.450 556 L N 0.103 121.359 121.223 0.055 0.000 2.012 556 L HA -0.294 4.048 4.340 0.004 0.000 0.210 556 L C 2.775 179.651 176.870 0.010 0.000 1.073 556 L CA 1.290 56.149 54.840 0.030 0.000 0.748 556 L CB -0.526 41.532 42.059 -0.000 0.000 0.891 556 L HN 0.412 nan 8.230 nan 0.000 0.431 557 C N -0.943 118.344 119.300 -0.022 0.000 2.413 557 C HA -0.227 4.235 4.460 0.004 0.000 0.276 557 C C 2.693 177.734 174.990 0.084 0.000 1.248 557 C CA 0.697 59.728 59.018 0.022 0.000 1.742 557 C CB -0.924 26.860 27.740 0.072 0.000 2.017 557 C HN 0.493 nan 8.230 nan 0.000 0.481 558 F N 1.058 121.002 119.950 -0.011 0.000 2.113 558 F HA -0.101 4.428 4.527 0.004 0.000 0.297 558 F C 2.215 178.033 175.800 0.031 0.000 1.103 558 F CA 1.865 59.832 58.000 -0.055 0.000 1.248 558 F CB -0.271 38.612 39.000 -0.196 0.000 0.999 558 F HN 0.005 nan 8.300 nan 0.000 0.475 559 V N 0.401 120.472 119.914 0.261 0.000 2.273 559 V HA -0.201 3.922 4.120 0.004 0.000 0.242 559 V C 2.370 178.490 176.094 0.043 0.000 1.035 559 V CA 1.733 64.138 62.300 0.175 0.000 1.013 559 V CB -0.664 31.279 31.823 0.200 0.000 0.652 559 V HN 0.146 nan 8.190 nan 0.000 0.452 560 K N 0.246 120.678 120.400 0.055 0.000 2.031 560 K HA 0.075 4.398 4.320 0.004 0.000 0.205 560 K C 1.978 178.594 176.600 0.026 0.000 1.049 560 K CA 1.257 57.575 56.287 0.052 0.000 0.939 560 K CB -0.318 32.237 32.500 0.092 0.000 0.717 560 K HN 0.373 nan 8.250 nan 0.000 0.438 561 L N 0.252 121.475 121.223 -0.001 0.000 2.513 561 L HA 0.124 4.467 4.340 0.004 0.000 0.222 561 L C 0.148 176.986 176.870 -0.053 0.000 1.096 561 L CA -0.036 54.797 54.840 -0.012 0.000 0.857 561 L CB -0.146 41.903 42.059 -0.017 0.000 1.026 561 L HN 0.099 nan 8.230 nan 0.000 0.469 562 K N 1.147 121.485 120.400 -0.104 0.000 3.096 562 K HA -0.147 4.176 4.320 0.004 0.000 0.266 562 K C -0.775 175.744 176.600 -0.134 0.000 1.043 562 K CA 0.413 56.586 56.287 -0.190 0.000 0.758 562 K CB -1.566 30.852 32.500 -0.136 0.000 1.260 562 K HN 0.241 nan 8.250 nan 0.000 0.481 563 L N 0.844 122.026 121.223 -0.068 0.000 2.365 563 L HA 0.444 4.786 4.340 0.004 0.000 0.273 563 L C -0.353 176.630 176.870 0.188 0.000 1.000 563 L CA -1.303 53.573 54.840 0.060 0.000 0.819 563 L CB 1.318 43.407 42.059 0.049 0.000 1.284 563 L HN -0.040 nan 8.230 nan 0.000 0.418 564 L N 4.388 125.768 121.223 0.261 0.000 2.261 564 L HA 0.410 4.752 4.340 0.004 0.000 0.289 564 L C -0.209 176.870 176.870 0.349 0.000 1.059 564 L CA 0.237 55.276 54.840 0.332 0.000 0.816 564 L CB 0.963 43.209 42.059 0.311 0.000 1.191 564 L HN 0.607 nan 8.230 nan 0.000 0.431 565 M N 6.370 126.141 119.600 0.285 0.000 2.088 565 M HA 0.310 4.792 4.480 0.004 0.000 0.346 565 M C 0.617 177.022 176.300 0.174 0.000 1.111 565 M CA -0.234 55.096 55.300 0.051 0.000 1.017 565 M CB 0.785 33.334 32.600 -0.086 0.000 1.568 565 M HN 0.767 nan 8.290 nan 0.000 0.445 566 I N 1.604 122.236 120.570 0.104 0.000 3.939 566 I HA 0.639 4.812 4.170 0.004 0.000 0.313 566 I C 0.299 176.434 176.117 0.029 0.000 1.274 566 I CA -0.114 61.262 61.300 0.126 0.000 1.301 566 I CB 0.365 38.351 38.000 -0.024 0.000 1.105 566 I HN 0.591 nan 8.210 nan 0.000 0.427 567 A N 0.939 123.769 122.820 0.016 0.000 2.602 567 A HA 0.816 5.138 4.320 0.004 0.000 0.290 567 A C -1.520 176.130 177.584 0.111 0.000 1.114 567 A CA -0.451 51.509 52.037 -0.128 0.000 0.683 567 A CB 1.884 20.606 19.000 -0.463 0.000 1.281 567 A HN 0.081 nan 8.150 nan 0.000 0.416 568 I N 0.482 121.038 120.570 -0.023 0.000 2.722 568 I HA 0.612 4.784 4.170 0.004 0.000 0.295 568 I C -0.427 175.637 176.117 -0.088 0.000 1.161 568 I CA -0.246 61.062 61.300 0.013 0.000 1.032 568 I CB 1.941 39.904 38.000 -0.061 0.000 1.244 568 I HN 0.951 nan 8.210 nan 0.000 0.421 569 E N 3.683 123.846 120.200 -0.061 0.000 2.366 569 E HA 0.526 4.878 4.350 0.004 0.000 0.278 569 E C -1.698 174.821 176.600 -0.136 0.000 0.923 569 E CA -0.420 55.893 56.400 -0.145 0.000 0.761 569 E CB 2.157 31.921 29.700 0.106 0.000 1.231 569 E HN 0.304 nan 8.360 nan 0.000 0.443 578 R N 2.143 122.645 120.500 0.003 0.000 2.725 578 R HA 0.660 5.003 4.340 0.004 0.000 0.277 578 R C -1.478 174.756 176.300 -0.109 0.000 0.987 578 R CA -0.795 55.277 56.100 -0.045 0.000 0.901 578 R CB 0.787 31.058 30.300 -0.049 0.000 1.207 578 R HN 0.591 nan 8.270 nan 0.000 0.463 579 I N 3.550 124.030 120.570 -0.151 0.000 2.496 579 I HA 0.148 4.321 4.170 0.004 0.000 0.285 579 I C -0.010 175.936 176.117 -0.284 0.000 1.080 579 I CA -0.481 60.668 61.300 -0.252 0.000 1.404 579 I CB 0.869 38.630 38.000 -0.398 0.000 1.403 579 I HN 0.364 nan 8.210 nan 0.000 0.539 580 L N 7.553 128.584 121.223 -0.321 0.000 2.277 580 L HA 0.427 4.769 4.340 0.004 0.000 0.284 580 L C -0.364 176.267 176.870 -0.398 0.000 1.028 580 L CA -0.664 53.978 54.840 -0.331 0.000 0.835 580 L CB 0.900 42.764 42.059 -0.325 0.000 1.215 580 L HN 0.466 nan 8.230 nan 0.000 0.425 581 I N 3.823 124.173 120.570 -0.366 0.000 2.471 581 I HA 0.002 4.174 4.170 0.004 0.000 0.286 581 I C 1.001 176.884 176.117 -0.390 0.000 1.079 581 I CA 0.179 61.261 61.300 -0.363 0.000 1.398 581 I CB 0.209 38.032 38.000 -0.296 0.000 1.403 581 I HN 0.635 nan 8.210 nan 0.000 0.530 582 N N 5.422 123.825 118.700 -0.496 0.000 2.689 582 N HA -0.151 4.592 4.740 0.004 0.000 0.263 582 N C -2.355 172.827 175.510 -0.546 0.000 0.987 582 N CA 0.037 52.755 53.050 -0.553 0.000 0.782 582 N CB -0.542 37.865 38.487 -0.133 0.000 0.903 582 N HN 0.333 nan 8.380 nan 0.000 0.547 583 P HA 0.260 nan 4.420 nan 0.000 0.274 583 P C 0.783 177.984 177.300 -0.166 0.000 1.260 583 P CA -0.110 62.760 63.100 -0.384 0.000 0.793 583 P CB 0.410 31.898 31.700 -0.353 0.000 1.048 584 G N -0.093 108.695 108.800 -0.020 0.000 2.642 584 G HA2 0.122 4.084 3.960 0.004 0.000 0.291 584 G HA3 0.122 4.084 3.960 0.004 0.000 0.291 584 G C 0.895 175.891 174.900 0.160 0.000 1.345 584 G CA -0.526 44.627 45.100 0.089 0.000 1.043 584 G HN 0.369 nan 8.290 nan 0.000 0.528 585 N N -0.281 118.526 118.700 0.178 0.000 2.091 585 N HA -0.152 4.590 4.740 0.004 0.000 0.193 585 N C 1.642 177.235 175.510 0.139 0.000 1.021 585 N CA 1.337 54.476 53.050 0.149 0.000 0.862 585 N CB -0.443 38.109 38.487 0.109 0.000 1.018 585 N HN 0.565 nan 8.380 nan 0.000 0.429 586 H N -0.469 118.634 119.070 0.055 0.000 2.567 586 H HA 0.139 4.698 4.556 0.004 0.000 0.276 586 H C 0.176 175.544 175.328 0.066 0.000 1.016 586 H CA 0.213 56.292 56.048 0.051 0.000 1.186 586 H CB 0.064 29.848 29.762 0.037 0.000 1.351 586 H HN 0.070 nan 8.280 nan 0.000 0.605 587 L N 2.033 123.367 121.223 0.186 0.000 2.277 587 L HA 0.260 4.602 4.340 0.004 0.000 0.284 587 L C -0.722 176.263 176.870 0.192 0.000 1.028 587 L CA -0.514 54.431 54.840 0.175 0.000 0.835 587 L CB 0.460 42.600 42.059 0.136 0.000 1.215 587 L HN -0.010 nan 8.230 nan 0.000 0.425 588 K N 5.107 125.615 120.400 0.179 0.000 2.118 588 K HA 0.454 4.776 4.320 0.004 0.000 0.267 588 K C -0.281 176.459 176.600 0.234 0.000 0.991 588 K CA -0.679 55.710 56.287 0.170 0.000 0.916 588 K CB 2.063 34.629 32.500 0.110 0.000 1.041 588 K HN 0.504 nan 8.250 nan 0.000 0.455 589 I N 3.708 124.416 120.570 0.230 0.000 2.379 589 I HA -0.045 4.128 4.170 0.004 0.000 0.290 589 I C 1.381 177.630 176.117 0.221 0.000 1.063 589 I CA -0.035 61.436 61.300 0.285 0.000 1.351 589 I CB 0.459 38.612 38.000 0.256 0.000 1.410 589 I HN 0.470 nan 8.210 nan 0.000 0.505 590 Q N 6.261 126.180 119.800 0.198 0.000 2.204 590 Q HA 0.429 4.771 4.340 0.004 0.000 0.175 590 Q C -0.567 175.521 176.000 0.147 0.000 1.020 590 Q CA -0.887 54.965 55.803 0.081 0.000 1.078 590 Q CB 0.745 29.420 28.738 -0.105 0.000 1.228 590 Q HN 0.466 nan 8.270 nan 0.000 0.550 591 E N -0.564 119.692 120.200 0.093 0.000 2.343 591 E HA 0.309 4.661 4.350 0.004 0.000 0.269 591 E C 0.043 176.729 176.600 0.144 0.000 1.047 591 E CA 0.253 56.721 56.400 0.114 0.000 0.874 591 E CB 0.673 30.411 29.700 0.063 0.000 1.033 591 E HN 0.902 nan 8.360 nan 0.000 0.409 592 G N 2.790 111.690 108.800 0.167 0.000 2.221 592 G HA2 -0.266 3.696 3.960 0.004 0.000 0.265 592 G HA3 -0.266 3.696 3.960 0.004 0.000 0.265 592 G C 0.182 175.300 174.900 0.363 0.000 1.041 592 G CA 0.370 45.575 45.100 0.174 0.000 0.807 592 G HN 0.455 nan 8.290 nan 0.000 0.502 593 T N 0.486 115.277 114.554 0.396 0.000 2.832 593 T HA 0.462 4.814 4.350 0.004 0.000 0.296 593 T C 0.319 175.219 174.700 0.333 0.000 0.968 593 T CA -0.159 62.179 62.100 0.397 0.000 1.107 593 T CB 1.652 70.753 68.868 0.388 0.000 0.916 593 T HN 0.531 nan 8.240 nan 0.000 0.517 594 L N 4.134 125.440 121.223 0.138 0.000 2.276 594 L HA 0.681 5.023 4.340 0.004 0.000 0.286 594 L C 0.427 177.201 176.870 -0.161 0.000 1.061 594 L CA 0.061 54.788 54.840 -0.188 0.000 0.807 594 L CB 0.569 42.388 42.059 -0.401 0.000 1.177 594 L HN 0.680 nan 8.230 nan 0.000 0.429 595 G N 3.984 112.673 108.800 -0.184 0.000 2.389 595 G HA2 0.529 4.492 3.960 0.004 0.000 0.328 595 G HA3 0.529 4.492 3.960 0.004 0.000 0.328 595 G C -1.352 173.150 174.900 -0.663 0.000 1.133 595 G CA -0.427 44.500 45.100 -0.289 0.000 0.891 595 G HN 0.449 nan 8.290 nan 0.000 0.485 596 F N 0.646 120.190 119.950 -0.677 0.000 2.427 596 F HA 0.585 5.114 4.527 0.004 0.000 0.346 596 F C -0.454 174.963 175.800 -0.640 0.000 1.120 596 F CA -0.455 57.274 58.000 -0.452 0.000 1.033 596 F CB 1.865 40.715 39.000 -0.248 0.000 1.126 596 F HN 0.214 nan 8.300 nan 0.000 0.462 597 F N 3.544 123.605 119.950 0.185 0.000 2.551 597 F HA 0.614 5.143 4.527 0.004 0.000 0.316 597 F C -0.341 175.574 175.800 0.192 0.000 1.089 597 F CA -1.049 57.055 58.000 0.174 0.000 0.915 597 F CB 1.631 40.715 39.000 0.139 0.000 1.186 597 F HN 0.144 nan 8.300 nan 0.000 0.456 598 I N 2.686 123.463 120.570 0.346 0.000 2.354 598 I HA 0.806 4.979 4.170 0.004 0.000 0.292 598 I C -0.245 176.041 176.117 0.282 0.000 0.989 598 I CA -0.401 61.054 61.300 0.258 0.000 1.188 598 I CB 1.412 39.511 38.000 0.165 0.000 1.342 598 I HN 0.760 nan 8.210 nan 0.000 0.457 599 A N 3.355 126.359 122.820 0.307 0.000 2.586 599 A HA 0.497 4.819 4.320 0.004 0.000 0.291 599 A C 0.202 177.943 177.584 0.262 0.000 1.062 599 A CA -0.390 51.782 52.037 0.226 0.000 0.666 599 A CB 0.969 20.055 19.000 0.143 0.000 1.281 599 A HN 0.647 nan 8.150 nan 0.000 0.421 600 S N 0.050 115.839 115.700 0.149 0.000 2.496 600 S HA 0.162 4.634 4.470 0.004 0.000 0.224 600 S C 0.211 174.896 174.600 0.141 0.000 0.996 600 S CA 1.017 59.302 58.200 0.142 0.000 0.927 600 S CB -0.354 62.908 63.200 0.104 0.000 0.774 600 S HN 0.974 nan 8.310 nan 0.000 0.524 601 D N -0.384 120.049 120.400 0.056 0.000 2.947 601 D HA 0.520 5.163 4.640 0.004 0.000 0.224 601 D C 0.578 176.676 176.300 -0.337 0.000 1.230 601 D CA -0.454 53.521 54.000 -0.042 0.000 0.871 601 D CB 1.648 42.430 40.800 -0.029 0.000 1.671 601 D HN -0.026 nan 8.370 nan 0.000 0.507 602 A N 2.583 125.128 122.820 -0.459 0.000 1.978 602 A HA -0.231 4.091 4.320 0.004 0.000 0.220 602 A C 1.886 179.246 177.584 -0.373 0.000 1.170 602 A CA 1.312 52.933 52.037 -0.692 0.000 0.636 602 A CB -0.473 18.327 19.000 -0.333 0.000 0.810 602 A HN 0.622 nan 8.150 nan 0.000 0.448 603 K N -0.820 119.455 120.400 -0.209 0.000 2.026 603 K HA -0.192 4.131 4.320 0.004 0.000 0.208 603 K C 2.028 178.557 176.600 -0.117 0.000 1.048 603 K CA 1.588 57.803 56.287 -0.119 0.000 0.929 603 K CB -0.134 32.322 32.500 -0.072 0.000 0.713 603 K HN 0.473 nan 8.250 nan 0.000 0.439 604 E N 1.010 121.124 120.200 -0.143 0.000 2.204 604 E HA -0.103 4.249 4.350 0.004 0.000 0.194 604 E C 1.741 178.240 176.600 -0.169 0.000 0.989 604 E CA 0.558 56.887 56.400 -0.118 0.000 0.824 604 E CB 0.011 29.653 29.700 -0.098 0.000 0.756 604 E HN -0.014 nan 8.360 nan 0.000 0.477 605 V N 1.094 120.843 119.914 -0.276 0.000 2.490 605 V HA -0.217 3.906 4.120 0.004 0.000 0.250 605 V C 2.139 178.057 176.094 -0.293 0.000 1.061 605 V CA 1.534 63.604 62.300 -0.385 0.000 1.064 605 V CB -0.418 31.129 31.823 -0.461 0.000 0.670 605 V HN 0.208 nan 8.190 nan 0.000 0.461 606 K N 0.259 120.586 120.400 -0.122 0.000 2.097 606 K HA -0.119 4.204 4.320 0.004 0.000 0.206 606 K C 2.192 178.895 176.600 0.172 0.000 1.049 606 K CA 1.036 57.362 56.287 0.065 0.000 0.933 606 K CB -0.427 32.186 32.500 0.189 0.000 0.717 606 K HN 0.436 nan 8.250 nan 0.000 0.442 607 R N 0.429 120.996 120.500 0.110 0.000 2.154 607 R HA -0.165 4.177 4.340 0.004 0.000 0.248 607 R C 2.177 178.581 176.300 0.174 0.000 1.155 607 R CA 1.394 57.592 56.100 0.165 0.000 0.979 607 R CB -0.491 29.859 30.300 0.084 0.000 0.869 607 R HN 0.200 nan 8.270 nan 0.000 0.452 608 A N 0.115 122.964 122.820 0.048 0.000 2.015 608 A HA -0.154 4.168 4.320 0.004 0.000 0.219 608 A C 1.772 179.530 177.584 0.290 0.000 1.163 608 A CA 0.867 52.985 52.037 0.134 0.000 0.646 608 A CB -0.371 18.515 19.000 -0.190 0.000 0.806 608 A HN 0.347 nan 8.150 nan 0.000 0.448 609 F N -1.480 118.435 119.950 -0.058 0.000 2.569 609 F HA 0.286 4.815 4.527 0.004 0.000 0.295 609 F C 0.161 175.733 175.800 -0.379 0.000 1.115 609 F CA -0.339 57.514 58.000 -0.245 0.000 1.450 609 F CB 0.208 38.915 39.000 -0.487 0.000 1.107 609 F HN 0.117 nan 8.300 nan 0.000 0.563 610 F N 0.356 120.316 119.950 0.018 0.000 2.848 610 F HA 0.228 4.758 4.527 0.004 0.000 0.321 610 F C -0.604 175.177 175.800 -0.031 0.000 1.281 610 F CA -0.866 57.073 58.000 -0.102 0.000 1.209 610 F CB -0.723 38.252 39.000 -0.042 0.000 1.152 610 F HN -0.205 nan 8.300 nan 0.000 0.521 611 Y N 0.301 120.538 120.300 -0.104 0.000 2.334 611 Y HA 0.609 5.162 4.550 0.004 0.000 0.328 611 Y C -0.266 175.511 175.900 -0.204 0.000 1.130 611 Y CA -1.371 56.633 58.100 -0.160 0.000 1.163 611 Y CB 0.907 39.182 38.460 -0.309 0.000 1.207 611 Y HN 0.187 nan 8.280 nan 0.000 0.471 612 C N 5.920 124.715 119.300 -0.842 0.000 2.712 612 C HA 0.673 5.135 4.460 0.004 0.000 0.308 612 C C -0.249 174.294 174.990 -0.746 0.000 1.201 612 C CA -1.473 57.173 59.018 -0.621 0.000 1.554 612 C CB 1.198 28.737 27.740 -0.334 0.000 2.117 612 C HN 1.056 nan 8.230 nan 0.000 0.480 678 N N 1.229 119.935 118.700 0.010 0.000 2.043 678 N HA -0.124 4.618 4.740 0.004 0.000 0.193 678 N C 1.742 177.255 175.510 0.006 0.000 1.037 678 N CA 1.312 54.364 53.050 0.004 0.000 0.851 678 N CB -0.250 38.237 38.487 0.000 0.000 1.027 678 N HN 0.273 nan 8.380 nan 0.000 0.422 679 M N 0.036 119.643 119.600 0.013 0.000 2.254 679 M HA -0.129 4.354 4.480 0.004 0.000 0.265 679 M C 1.089 177.411 176.300 0.037 0.000 1.066 679 M CA 1.603 56.915 55.300 0.021 0.000 1.123 679 M CB -0.289 32.324 32.600 0.021 0.000 1.388 679 M HN -0.066 nan 8.290 nan 0.000 0.425 680 D N -0.030 120.393 120.400 0.037 0.000 2.219 680 D HA -0.136 4.506 4.640 0.004 0.000 0.205 680 D C 2.016 178.360 176.300 0.074 0.000 0.970 680 D CA 1.397 55.427 54.000 0.049 0.000 0.851 680 D CB 0.071 40.896 40.800 0.041 0.000 0.943 680 D HN 0.411 nan 8.370 nan 0.000 0.488 681 S N -0.713 115.025 115.700 0.063 0.000 2.447 681 S HA -0.061 4.412 4.470 0.004 0.000 0.233 681 S C 1.328 175.989 174.600 0.102 0.000 1.006 681 S CA 0.647 58.892 58.200 0.074 0.000 0.957 681 S CB -0.195 63.025 63.200 0.032 0.000 0.773 681 S HN 0.199 nan 8.310 nan 0.000 0.507 682 N N 1.026 119.778 118.700 0.087 0.000 2.268 682 N HA 0.178 4.921 4.740 0.004 0.000 0.204 682 N C -0.797 174.886 175.510 0.289 0.000 1.124 682 N CA 0.111 53.223 53.050 0.103 0.000 0.838 682 N CB 1.016 39.511 38.487 0.012 0.000 0.994 682 N HN 0.217 nan 8.380 nan 0.000 0.489 683 V N 1.615 121.674 119.914 0.241 0.000 2.394 683 V HA 0.198 4.320 4.120 0.004 0.000 0.282 683 V C 0.411 176.614 176.094 0.183 0.000 1.031 683 V CA -0.934 61.482 62.300 0.193 0.000 0.881 683 V CB 1.680 33.559 31.823 0.094 0.000 0.982 683 V HN -0.059 nan 8.190 nan 0.000 0.451 684 K N 4.429 124.888 120.400 0.098 0.000 2.336 684 K HA 0.216 4.538 4.320 0.004 0.000 0.290 684 K C 0.397 177.081 176.600 0.139 0.000 1.067 684 K CA 0.028 56.309 56.287 -0.010 0.000 0.962 684 K CB 0.630 33.059 32.500 -0.118 0.000 1.008 684 K HN 0.564 nan 8.250 nan 0.000 0.467 685 K N 1.925 122.349 120.400 0.040 0.000 2.373 685 K HA 0.108 4.430 4.320 0.004 0.000 0.200 685 K C -0.516 175.810 176.600 -0.458 0.000 1.054 685 K CA 0.198 56.360 56.287 -0.208 0.000 1.065 685 K CB 0.504 32.747 32.500 -0.428 0.000 0.886 685 K HN 0.386 nan 8.250 nan 0.000 0.546 686 Y N 0.552 120.956 120.300 0.174 0.000 2.588 686 Y HA 0.105 4.657 4.550 0.004 0.000 0.343 686 Y C -0.356 175.521 175.900 -0.039 0.000 1.065 686 Y CA -2.373 55.793 58.100 0.110 0.000 1.038 686 Y CB 1.053 39.499 38.460 -0.023 0.000 1.297 686 Y HN 0.017 nan 8.280 nan 0.000 0.467 687 D N -0.911 119.587 120.400 0.164 0.000 2.363 687 D HA 0.132 4.774 4.640 0.004 0.000 0.240 687 D C 1.090 177.324 176.300 -0.111 0.000 1.236 687 D CA 0.233 54.163 54.000 -0.118 0.000 0.927 687 D CB 0.977 41.822 40.800 0.074 0.000 1.150 687 D HN 0.507 nan 8.370 nan 0.000 0.458 688 S N -0.344 115.248 115.700 -0.180 0.000 2.402 688 S HA -0.290 4.182 4.470 0.004 0.000 0.233 688 S C 1.883 176.439 174.600 -0.073 0.000 1.030 688 S CA 1.519 59.639 58.200 -0.134 0.000 1.003 688 S CB -1.478 61.645 63.200 -0.129 0.000 0.813 688 S HN 0.774 nan 8.310 nan 0.000 0.477 689 T N -2.253 112.277 114.554 -0.040 0.000 3.148 689 T HA 0.417 4.769 4.350 0.004 0.000 0.253 689 T C 1.509 176.154 174.700 -0.091 0.000 1.134 689 T CA 0.590 62.662 62.100 -0.046 0.000 1.051 689 T CB -0.679 68.180 68.868 -0.015 0.000 0.959 689 T HN 1.289 nan 8.240 nan 0.000 0.525 690 G N 1.073 109.823 108.800 -0.083 0.000 2.221 690 G HA2 -0.278 3.684 3.960 0.004 0.000 0.265 690 G HA3 -0.278 3.684 3.960 0.004 0.000 0.265 690 G C 0.355 175.094 174.900 -0.269 0.000 1.041 690 G CA 0.624 45.602 45.100 -0.204 0.000 0.807 690 G HN 0.535 nan 8.290 nan 0.000 0.502 691 M N -1.566 117.954 119.600 -0.132 0.000 2.514 691 M HA 0.609 5.091 4.480 0.004 0.000 0.258 691 M C -0.062 175.932 176.300 -0.511 0.000 1.159 691 M CA 0.624 55.739 55.300 -0.308 0.000 1.116 691 M CB 0.462 32.954 32.600 -0.181 0.000 1.333 691 M HN 0.145 nan 8.290 nan 0.000 0.487 692 F N -1.041 118.973 119.950 0.107 0.000 2.591 692 F HA 0.360 4.889 4.527 0.004 0.000 0.309 692 F C -0.268 175.742 175.800 0.351 0.000 1.098 692 F CA -1.211 56.926 58.000 0.229 0.000 0.937 692 F CB 0.935 40.100 39.000 0.274 0.000 1.250 692 F HN -0.116 nan 8.300 nan 0.000 0.447 693 H N 0.688 120.103 119.070 0.574 0.000 2.928 693 H HA 0.149 4.708 4.556 0.004 0.000 0.338 693 H C -0.955 174.636 175.328 0.439 0.000 1.047 693 H CA 0.828 57.094 56.048 0.363 0.000 1.435 693 H CB 0.563 30.506 29.762 0.301 0.000 1.428 693 H HN 0.642 nan 8.280 nan 0.000 0.590 694 W N 3.670 125.059 121.300 0.148 0.000 3.029 694 W HA 0.539 5.201 4.660 0.004 0.000 0.339 694 W C -1.384 175.139 176.519 0.007 0.000 1.198 694 W CA -0.899 56.488 57.345 0.070 0.000 1.148 694 W CB 1.371 30.842 29.460 0.017 0.000 1.451 694 W HN 0.890 nan 8.180 nan 0.000 0.564 695 C N 2.612 121.339 119.300 -0.955 0.000 3.239 695 C HA 0.870 5.333 4.460 0.004 0.000 0.329 695 C C 0.310 174.335 174.990 -1.608 0.000 1.252 695 C CA -0.773 57.706 59.018 -0.898 0.000 1.323 695 C CB 0.507 28.030 27.740 -0.362 0.000 1.663 695 C HN 1.240 nan 8.230 nan 0.000 0.487 696 A N 2.185 124.406 122.820 -0.999 0.000 2.561 696 A HA 0.490 4.812 4.320 0.004 0.000 0.234 696 A C -2.267 175.008 177.584 -0.515 0.000 1.055 696 A CA -0.188 51.471 52.037 -0.629 0.000 0.756 696 A CB -0.772 18.115 19.000 -0.188 0.000 0.986 696 A HN 0.789 nan 8.150 nan 0.000 0.505 697 P HA 0.087 nan 4.420 nan 0.000 0.257 697 P C -0.327 176.815 177.300 -0.263 0.000 1.227 697 P CA 0.289 63.065 63.100 -0.540 0.000 0.981 697 P CB -0.000 31.198 31.700 -0.836 0.000 1.044 698 K N 2.992 123.334 120.400 -0.096 0.000 2.448 698 K HA 0.046 4.368 4.320 0.004 0.000 0.278 698 K C 0.495 177.243 176.600 0.247 0.000 1.009 698 K CA -0.001 56.337 56.287 0.085 0.000 0.995 698 K CB 0.418 33.031 32.500 0.189 0.000 0.917 698 K HN 0.419 nan 8.250 nan 0.000 0.481 699 E N 3.124 123.411 120.200 0.144 0.000 2.331 699 E HA -0.040 4.312 4.350 0.004 0.000 0.272 699 E C 1.068 177.693 176.600 0.042 0.000 1.036 699 E CA -0.125 56.367 56.400 0.154 0.000 0.864 699 E CB 1.024 30.755 29.700 0.052 0.000 1.035 699 E HN 0.583 nan 8.360 nan 0.000 0.408 700 I N 2.356 122.861 120.570 -0.109 0.000 2.236 700 I HA -0.362 3.811 4.170 0.004 0.000 0.249 700 I C 1.663 177.543 176.117 -0.395 0.000 1.102 700 I CA 1.738 62.663 61.300 -0.625 0.000 1.365 700 I CB 0.162 37.757 38.000 -0.676 0.000 1.051 700 I HN 0.519 nan 8.210 nan 0.000 0.420 701 E N 0.846 120.927 120.200 -0.198 0.000 2.118 701 E HA -0.255 4.097 4.350 0.004 0.000 0.195 701 E C 1.971 178.501 176.600 -0.116 0.000 0.992 701 E CA 1.301 57.619 56.400 -0.137 0.000 0.804 701 E CB -0.168 29.484 29.700 -0.079 0.000 0.741 701 E HN 0.472 nan 8.360 nan 0.000 0.458 702 K N -0.490 119.856 120.400 -0.091 0.000 2.515 702 K HA -0.023 4.299 4.320 0.004 0.000 0.196 702 K C 1.105 177.668 176.600 -0.061 0.000 1.038 702 K CA 0.497 56.754 56.287 -0.050 0.000 0.967 702 K CB 0.336 32.832 32.500 -0.007 0.000 0.780 702 K HN 0.006 nan 8.250 nan 0.000 0.483 703 V N 0.433 120.262 119.914 -0.142 0.000 3.497 703 V HA 0.142 4.264 4.120 0.004 0.000 0.272 703 V C 0.350 176.349 176.094 -0.158 0.000 1.474 703 V CA -0.217 61.993 62.300 -0.150 0.000 1.025 703 V CB 0.462 32.131 31.823 -0.258 0.000 0.820 703 V HN 0.119 nan 8.190 nan 0.000 0.437 704 I N 1.359 121.819 120.570 -0.183 0.000 2.588 704 I HA 0.139 4.311 4.170 0.004 0.000 0.283 704 I C -0.338 175.733 176.117 -0.076 0.000 1.119 704 I CA 0.603 61.822 61.300 -0.134 0.000 1.419 704 I CB 0.639 38.555 38.000 -0.140 0.000 1.394 704 I HN 0.091 nan 8.210 nan 0.000 0.562 705 L N 5.051 126.243 121.223 -0.051 0.000 2.313 705 L HA 0.547 4.889 4.340 0.004 0.000 0.268 705 L C 0.251 177.103 176.870 -0.030 0.000 1.010 705 L CA -0.684 54.136 54.840 -0.034 0.000 0.814 705 L CB 2.171 44.216 42.059 -0.023 0.000 1.304 705 L HN 0.610 nan 8.230 nan 0.000 0.441 706 T N -3.007 111.532 114.554 -0.025 0.000 2.952 706 T HA 0.300 4.652 4.350 0.004 0.000 0.286 706 T C 0.824 175.514 174.700 -0.017 0.000 1.024 706 T CA -0.755 61.332 62.100 -0.021 0.000 1.029 706 T CB 1.798 70.654 68.868 -0.020 0.000 1.094 706 T HN 0.629 nan 8.240 nan 0.000 0.515 707 R N 0.463 120.955 120.500 -0.013 0.000 2.127 707 R HA -0.113 4.229 4.340 0.004 0.000 0.238 707 R C 2.050 178.343 176.300 -0.011 0.000 1.134 707 R CA 1.821 57.916 56.100 -0.009 0.000 0.975 707 R CB -0.585 29.711 30.300 -0.007 0.000 0.865 707 R HN 0.692 nan 8.270 nan 0.000 0.447 708 S N 0.347 116.039 115.700 -0.013 0.000 2.377 708 S HA -0.074 4.398 4.470 0.004 0.000 0.223 708 S C 1.517 176.107 174.600 -0.017 0.000 1.030 708 S CA 1.051 59.242 58.200 -0.014 0.000 0.970 708 S CB -0.031 63.162 63.200 -0.013 0.000 0.830 708 S HN 0.428 nan 8.310 nan 0.000 0.473 709 E N 1.653 121.841 120.200 -0.020 0.000 2.023 709 E HA -0.152 4.200 4.350 0.004 0.000 0.196 709 E C 2.351 178.933 176.600 -0.030 0.000 1.003 709 E CA 1.218 57.603 56.400 -0.024 0.000 0.809 709 E CB -0.312 29.373 29.700 -0.024 0.000 0.755 709 E HN 0.484 nan 8.360 nan 0.000 0.449 710 A N 1.194 123.997 122.820 -0.029 0.000 1.978 710 A HA -0.177 4.145 4.320 0.004 0.000 0.220 710 A C 2.339 179.900 177.584 -0.038 0.000 1.170 710 A CA 1.813 53.828 52.037 -0.036 0.000 0.636 710 A CB -0.691 18.294 19.000 -0.024 0.000 0.810 710 A HN 0.315 nan 8.150 nan 0.000 0.448 711 A N -1.131 121.675 122.820 -0.024 0.000 1.898 711 A HA -0.081 4.241 4.320 0.004 0.000 0.216 711 A C 2.095 179.663 177.584 -0.026 0.000 1.181 711 A CA 1.924 53.950 52.037 -0.018 0.000 0.620 711 A CB -0.442 18.552 19.000 -0.010 0.000 0.819 711 A HN 0.398 nan 8.150 nan 0.000 0.442 712 M N 0.575 120.158 119.600 -0.028 0.000 2.213 712 M HA -0.042 4.441 4.480 0.004 0.000 0.263 712 M C 0.468 176.743 176.300 -0.042 0.000 1.062 712 M CA 0.948 56.231 55.300 -0.030 0.000 1.105 712 M CB -1.610 30.975 32.600 -0.026 0.000 1.385 712 M HN 0.287 nan 8.290 nan 0.000 0.417 713 T N 0.536 115.056 114.554 -0.057 0.000 2.817 713 T HA 0.358 4.711 4.350 0.004 0.000 0.293 713 T C -0.088 174.551 174.700 -0.101 0.000 0.964 713 T CA -0.530 61.519 62.100 -0.084 0.000 1.085 713 T CB 2.007 70.810 68.868 -0.109 0.000 0.921 713 T HN 0.022 nan 8.240 nan 0.000 0.502 714 V N 5.210 125.060 119.914 -0.107 0.000 2.546 714 V HA 0.578 4.701 4.120 0.004 0.000 0.284 714 V C -0.663 175.309 176.094 -0.203 0.000 1.050 714 V CA -0.533 61.696 62.300 -0.119 0.000 0.981 714 V CB 0.601 32.377 31.823 -0.079 0.000 0.990 714 V HN 0.724 nan 8.190 nan 0.000 0.474 715 L N 6.287 127.348 121.223 -0.271 0.000 2.381 715 L HA 0.816 5.158 4.340 0.004 0.000 0.268 715 L C -0.471 176.221 176.870 -0.297 0.000 0.997 715 L CA -0.262 54.285 54.840 -0.489 0.000 0.818 715 L CB 2.459 43.919 42.059 -0.997 0.000 1.310 715 L HN 0.826 nan 8.230 nan 0.000 0.416 716 S N -0.467 115.154 115.700 -0.131 0.000 2.570 716 S HA 0.691 5.163 4.470 0.004 0.000 0.270 716 S C 0.232 174.930 174.600 0.163 0.000 1.149 716 S CA -0.149 58.137 58.200 0.142 0.000 0.837 716 S CB 1.777 64.985 63.200 0.013 0.000 1.124 716 S HN 1.177 nan 8.310 nan 0.000 0.465 717 G N 1.292 110.158 108.800 0.111 0.000 2.168 717 G HA2 -0.223 3.739 3.960 0.004 0.000 0.257 717 G HA3 -0.223 3.739 3.960 0.004 0.000 0.257 717 G C 0.115 175.023 174.900 0.015 0.000 0.997 717 G CA 0.821 45.924 45.100 0.006 0.000 0.708 717 G HN 1.606 nan 8.290 nan 0.000 0.520 718 H N -1.520 117.488 119.070 -0.104 0.000 2.559 718 H HA 0.734 5.293 4.556 0.004 0.000 0.343 718 H C -0.436 174.825 175.328 -0.111 0.000 1.209 718 H CA -0.765 55.224 56.048 -0.098 0.000 1.287 718 H CB 1.445 31.155 29.762 -0.086 0.000 1.650 718 H HN 0.215 nan 8.280 nan 0.000 0.567 719 V N 2.032 121.872 119.914 -0.124 0.000 2.357 719 V HA 0.161 4.284 4.120 0.004 0.000 0.284 719 V C 0.100 176.079 176.094 -0.192 0.000 1.018 719 V CA -0.888 61.287 62.300 -0.209 0.000 0.841 719 V CB 1.256 32.965 31.823 -0.189 0.000 0.991 719 V HN 0.520 nan 8.190 nan 0.000 0.437 720 V N 6.098 125.886 119.914 -0.210 0.000 2.383 720 V HA 0.338 4.461 4.120 0.004 0.000 0.275 720 V C -0.012 176.007 176.094 -0.125 0.000 1.036 720 V CA -0.340 61.879 62.300 -0.135 0.000 0.889 720 V CB 1.755 33.517 31.823 -0.101 0.000 0.985 720 V HN 0.629 nan 8.190 nan 0.000 0.459 721 V N 5.026 124.851 119.914 -0.147 0.000 2.275 721 V HA 0.241 4.364 4.120 0.004 0.000 0.272 721 V C 0.105 176.241 176.094 0.069 0.000 1.028 721 V CA -0.521 61.743 62.300 -0.060 0.000 0.810 721 V CB 1.064 32.788 31.823 -0.165 0.000 1.043 721 V HN 0.950 nan 8.190 nan 0.000 0.453 722 C N 6.438 125.764 119.300 0.044 0.000 2.514 722 C HA 0.585 5.047 4.460 0.004 0.000 0.392 722 C C 0.350 175.342 174.990 0.003 0.000 1.294 722 C CA -0.440 58.575 59.018 -0.005 0.000 1.957 722 C CB -0.754 26.975 27.740 -0.019 0.000 2.541 722 C HN 0.689 nan 8.230 nan 0.000 0.569 723 I N 2.976 123.489 120.570 -0.095 0.000 2.533 723 I HA 0.407 4.579 4.170 0.004 0.000 0.290 723 I C -0.721 175.216 176.117 -0.301 0.000 1.056 723 I CA -0.173 61.077 61.300 -0.083 0.000 1.057 723 I CB 1.283 39.290 38.000 0.012 0.000 1.240 723 I HN 0.454 nan 8.210 nan 0.000 0.423 724 F N 4.014 123.910 119.950 -0.091 0.000 2.415 724 F HA 0.809 5.338 4.527 0.004 0.000 0.348 724 F C 0.780 176.436 175.800 -0.239 0.000 1.119 724 F CA -0.240 57.691 58.000 -0.115 0.000 1.069 724 F CB 1.852 40.816 39.000 -0.060 0.000 1.124 724 F HN 0.515 nan 8.300 nan 0.000 0.472 725 G N 2.652 111.395 108.800 -0.095 0.000 2.339 725 G HA2 0.425 4.387 3.960 0.004 0.000 0.302 725 G HA3 0.425 4.387 3.960 0.004 0.000 0.302 725 G C -2.278 172.557 174.900 -0.108 0.000 1.425 725 G CA -0.944 44.023 45.100 -0.221 0.000 0.899 725 G HN 0.649 nan 8.290 nan 0.000 0.619 726 D N -2.352 118.060 120.400 0.020 0.000 2.867 726 D HA 0.559 5.201 4.640 0.004 0.000 0.308 726 D C 1.626 178.043 176.300 0.196 0.000 1.202 726 D CA 0.197 54.263 54.000 0.110 0.000 1.035 726 D CB 0.600 41.442 40.800 0.071 0.000 1.427 726 D HN 1.067 nan 8.370 nan 0.000 0.570 727 V N -1.371 118.624 119.914 0.135 0.000 2.392 727 V HA -0.223 3.899 4.120 0.004 0.000 0.249 727 V C 2.009 178.170 176.094 0.111 0.000 1.059 727 V CA 2.204 64.573 62.300 0.114 0.000 1.051 727 V CB -1.544 30.318 31.823 0.064 0.000 0.658 727 V HN 0.685 nan 8.190 nan 0.000 0.455 728 S N -0.246 115.513 115.700 0.097 0.000 2.489 728 S HA 0.052 4.524 4.470 0.004 0.000 0.228 728 S C 1.160 175.824 174.600 0.107 0.000 0.995 728 S CA 0.463 58.713 58.200 0.084 0.000 0.934 728 S CB -0.647 62.590 63.200 0.060 0.000 0.771 728 S HN 0.573 nan 8.310 nan 0.000 0.522 729 S N 2.401 118.191 115.700 0.149 0.000 2.558 729 S HA 0.508 4.980 4.470 0.004 0.000 0.288 729 S C 0.487 175.213 174.600 0.211 0.000 1.318 729 S CA -0.060 58.239 58.200 0.166 0.000 1.056 729 S CB 0.484 63.772 63.200 0.148 0.000 0.853 729 S HN 0.754 nan 8.310 nan 0.000 0.505 730 A N 3.277 126.197 122.820 0.168 0.000 2.425 730 A HA 0.376 4.698 4.320 0.004 0.000 0.249 730 A C 0.182 177.906 177.584 0.233 0.000 1.084 730 A CA -0.505 51.627 52.037 0.159 0.000 0.781 730 A CB -0.174 18.897 19.000 0.117 0.000 1.019 730 A HN 0.814 nan 8.150 nan 0.000 0.490 731 L N 3.260 124.586 121.223 0.171 0.000 2.513 731 L HA -0.001 4.342 4.340 0.004 0.000 0.272 731 L C 1.215 178.199 176.870 0.189 0.000 1.187 731 L CA -0.054 54.880 54.840 0.155 0.000 0.895 731 L CB 0.084 42.158 42.059 0.025 0.000 1.147 731 L HN 0.747 nan 8.230 nan 0.000 0.483 732 I N 2.484 123.212 120.570 0.263 0.000 2.286 732 I HA -0.150 4.022 4.170 0.004 0.000 0.248 732 I C 1.389 177.588 176.117 0.137 0.000 1.115 732 I CA 1.231 62.648 61.300 0.194 0.000 1.392 732 I CB -0.344 37.787 38.000 0.218 0.000 1.065 732 I HN 1.017 nan 8.210 nan 0.000 0.418 733 G N 0.769 109.636 108.800 0.113 0.000 2.520 733 G HA2 -0.205 3.757 3.960 0.004 0.000 0.264 733 G HA3 -0.205 3.757 3.960 0.004 0.000 0.264 733 G C 0.455 175.395 174.900 0.065 0.000 1.140 733 G CA -0.243 44.907 45.100 0.084 0.000 1.012 733 G HN 0.284 nan 8.290 nan 0.000 0.511 734 L N -0.128 121.128 121.223 0.055 0.000 2.275 734 L HA -0.097 4.245 4.340 0.004 0.000 0.215 734 L C 3.083 179.990 176.870 0.061 0.000 1.119 734 L CA 1.729 56.617 54.840 0.080 0.000 0.790 734 L CB -0.319 41.775 42.059 0.058 0.000 0.919 734 L HN 0.719 nan 8.230 nan 0.000 0.443 735 R N 0.262 120.778 120.500 0.027 0.000 2.170 735 R HA -0.207 4.135 4.340 0.004 0.000 0.242 735 R C 1.564 177.818 176.300 -0.076 0.000 1.145 735 R CA 1.826 57.937 56.100 0.019 0.000 0.984 735 R CB -0.609 29.713 30.300 0.037 0.000 0.869 735 R HN 0.383 nan 8.270 nan 0.000 0.455 736 N N 0.617 119.285 118.700 -0.054 0.000 2.453 736 N HA -0.113 4.629 4.740 0.004 0.000 0.183 736 N C 1.506 176.984 175.510 -0.054 0.000 1.041 736 N CA 0.946 53.952 53.050 -0.074 0.000 0.900 736 N CB 0.022 38.494 38.487 -0.025 0.000 0.961 736 N HN 0.301 nan 8.380 nan 0.000 0.443 737 L N 0.229 121.436 121.223 -0.026 0.000 2.221 737 L HA 0.087 4.430 4.340 0.004 0.000 0.202 737 L C 1.999 178.818 176.870 -0.086 0.000 1.074 737 L CA 0.755 55.584 54.840 -0.018 0.000 0.795 737 L CB -0.495 41.596 42.059 0.054 0.000 0.960 737 L HN -0.034 nan 8.230 nan 0.000 0.458 738 V N -1.657 118.177 119.914 -0.133 0.000 2.649 738 V HA -0.117 4.006 4.120 0.004 0.000 0.248 738 V C 2.322 178.081 176.094 -0.558 0.000 1.054 738 V CA 1.582 63.711 62.300 -0.284 0.000 1.073 738 V CB -0.326 31.377 31.823 -0.201 0.000 0.699 738 V HN 0.524 nan 8.190 nan 0.000 0.463 739 M N 0.582 119.796 119.600 -0.644 0.000 2.065 739 M HA -0.067 4.415 4.480 0.004 0.000 0.259 739 M C -0.038 176.144 176.300 -0.197 0.000 1.069 739 M CA 2.854 57.724 55.300 -0.717 0.000 1.110 739 M CB -1.054 31.179 32.600 -0.611 0.000 1.328 739 M HN 0.322 nan 8.290 nan 0.000 0.405 740 P HA -0.141 nan 4.420 nan 0.000 0.217 740 P C 1.053 178.486 177.300 0.222 0.000 1.148 740 P CA 1.237 64.449 63.100 0.186 0.000 0.828 740 P CB -0.190 31.559 31.700 0.081 0.000 0.783 741 L N -1.498 119.738 121.223 0.022 0.000 2.627 741 L HA 0.054 4.396 4.340 0.004 0.000 0.233 741 L C 1.270 178.100 176.870 -0.067 0.000 1.144 741 L CA 0.437 55.224 54.840 -0.089 0.000 0.892 741 L CB -0.120 41.820 42.059 -0.199 0.000 1.039 741 L HN -0.134 nan 8.230 nan 0.000 0.442 742 R N -0.046 120.543 120.500 0.148 0.000 2.629 742 R HA 0.342 4.684 4.340 0.004 0.000 0.408 742 R C 0.162 176.870 176.300 0.680 0.000 1.057 742 R CA -0.201 56.071 56.100 0.288 0.000 1.119 742 R CB 0.390 30.740 30.300 0.084 0.000 1.403 742 R HN 0.023 nan 8.270 nan 0.000 0.576 743 A N 1.092 124.306 122.820 0.658 0.000 2.511 743 A HA 0.103 4.426 4.320 0.004 0.000 0.242 743 A C 1.427 179.130 177.584 0.197 0.000 1.069 743 A CA 0.427 52.585 52.037 0.203 0.000 0.763 743 A CB 0.407 19.366 19.000 -0.067 0.000 1.001 743 A HN 0.382 nan 8.150 nan 0.000 0.498 744 S N 1.833 117.443 115.700 -0.150 0.000 2.537 744 S HA -0.172 4.301 4.470 0.004 0.000 0.240 744 S C 1.120 175.547 174.600 -0.289 0.000 0.981 744 S CA 1.130 59.194 58.200 -0.226 0.000 0.948 744 S CB -0.518 62.448 63.200 -0.389 0.000 0.759 744 S HN 0.918 nan 8.310 nan 0.000 0.531 745 N N 0.673 119.119 118.700 -0.423 0.000 2.461 745 N HA 0.073 4.815 4.740 0.004 0.000 0.188 745 N C -0.586 174.722 175.510 -0.336 0.000 1.134 745 N CA -0.168 52.571 53.050 -0.520 0.000 0.878 745 N CB -0.696 37.453 38.487 -0.565 0.000 0.972 745 N HN 0.414 nan 8.380 nan 0.000 0.456 746 F N 0.671 120.696 119.950 0.124 0.000 2.397 746 F HA 0.358 4.887 4.527 0.004 0.000 0.331 746 F C 0.815 176.766 175.800 0.250 0.000 1.090 746 F CA -0.971 57.121 58.000 0.152 0.000 1.065 746 F CB 0.608 39.676 39.000 0.113 0.000 1.184 746 F HN -0.085 nan 8.300 nan 0.000 0.499 747 H N 0.842 120.219 119.070 0.511 0.000 2.582 747 H HA 0.057 4.615 4.556 0.004 0.000 0.345 747 H C 0.452 175.997 175.328 0.361 0.000 1.104 747 H CA -0.011 56.309 56.048 0.453 0.000 1.390 747 H CB 0.646 30.596 29.762 0.314 0.000 1.461 747 H HN 0.693 nan 8.280 nan 0.000 0.551 748 Y N 2.128 122.666 120.300 0.397 0.000 2.002 748 Y HA -0.418 4.134 4.550 0.004 0.000 0.268 748 Y C 2.733 178.695 175.900 0.103 0.000 1.177 748 Y CA 2.574 60.760 58.100 0.143 0.000 1.111 748 Y CB -0.526 38.044 38.460 0.184 0.000 0.952 748 Y HN 0.881 nan 8.280 nan 0.000 0.491 749 H N -0.339 118.852 119.070 0.201 0.000 2.466 749 H HA -0.195 4.364 4.556 0.004 0.000 0.297 749 H C 2.065 177.398 175.328 0.008 0.000 1.113 749 H CA 2.077 58.178 56.048 0.088 0.000 1.273 749 H CB -0.264 29.570 29.762 0.120 0.000 1.371 749 H HN 0.594 nan 8.280 nan 0.000 0.528 750 E N 0.061 120.253 120.200 -0.015 0.000 2.318 750 E HA 0.015 4.367 4.350 0.004 0.000 0.193 750 E C 0.137 176.625 176.600 -0.188 0.000 0.998 750 E CA -0.128 56.241 56.400 -0.051 0.000 0.859 750 E CB 0.189 30.017 29.700 0.214 0.000 0.812 750 E HN 0.469 nan 8.360 nan 0.000 0.492 751 L N 2.811 123.867 121.223 -0.279 0.000 2.525 751 L HA -0.017 4.325 4.340 0.004 0.000 0.278 751 L C 0.336 176.997 176.870 -0.349 0.000 1.218 751 L CA 0.581 55.178 54.840 -0.405 0.000 0.878 751 L CB 0.217 41.948 42.059 -0.547 0.000 1.127 751 L HN -0.076 nan 8.230 nan 0.000 0.492 752 K N 2.795 123.000 120.400 -0.325 0.000 2.297 752 K HA 0.244 4.567 4.320 0.004 0.000 0.286 752 K C -0.489 176.017 176.600 -0.158 0.000 1.053 752 K CA -0.769 55.404 56.287 -0.190 0.000 0.940 752 K CB 0.535 32.916 32.500 -0.197 0.000 1.019 752 K HN 0.392 nan 8.250 nan 0.000 0.475 753 H N 1.574 120.554 119.070 -0.150 0.000 2.815 753 H HA 0.108 4.666 4.556 0.004 0.000 0.350 753 H C -0.042 175.226 175.328 -0.101 0.000 1.080 753 H CA 0.450 56.426 56.048 -0.120 0.000 1.433 753 H CB 0.343 30.041 29.762 -0.106 0.000 1.432 753 H HN 0.366 nan 8.280 nan 0.000 0.592 754 I N 3.472 124.018 120.570 -0.040 0.000 2.362 754 I HA 0.218 4.390 4.170 0.004 0.000 0.289 754 I C -0.712 175.309 176.117 -0.159 0.000 0.994 754 I CA -0.720 60.479 61.300 -0.168 0.000 1.158 754 I CB 1.390 39.216 38.000 -0.290 0.000 1.315 754 I HN 0.219 nan 8.210 nan 0.000 0.451 755 V N 6.534 126.344 119.914 -0.172 0.000 2.378 755 V HA 0.388 4.510 4.120 0.004 0.000 0.288 755 V C -0.383 175.597 176.094 -0.189 0.000 1.016 755 V CA -0.655 61.589 62.300 -0.094 0.000 0.840 755 V CB 1.026 32.863 31.823 0.023 0.000 0.994 755 V HN 0.349 nan 8.190 nan 0.000 0.431 756 F N 3.354 123.338 119.950 0.056 0.000 2.396 756 F HA 0.556 5.086 4.527 0.004 0.000 0.343 756 F C 0.323 176.131 175.800 0.012 0.000 1.104 756 F CA -0.447 57.579 58.000 0.043 0.000 1.161 756 F CB 1.568 40.612 39.000 0.073 0.000 1.146 756 F HN 0.188 nan 8.300 nan 0.000 0.522 757 V N 2.830 122.846 119.914 0.171 0.000 2.407 757 V HA 0.898 5.020 4.120 0.004 0.000 0.291 757 V C 0.103 176.195 176.094 -0.004 0.000 1.018 757 V CA -0.321 62.013 62.300 0.057 0.000 0.842 757 V CB 0.931 32.755 31.823 0.001 0.000 0.996 757 V HN 1.011 nan 8.190 nan 0.000 0.426 758 G N 2.680 111.471 108.800 -0.015 0.000 2.321 758 G HA2 0.388 4.350 3.960 0.004 0.000 0.296 758 G HA3 0.388 4.350 3.960 0.004 0.000 0.296 758 G C -0.771 174.117 174.900 -0.021 0.000 1.287 758 G CA -0.080 44.977 45.100 -0.072 0.000 0.846 758 G HN 0.709 nan 8.290 nan 0.000 0.508 759 S N -0.682 115.012 115.700 -0.009 0.000 2.533 759 S HA 0.165 4.638 4.470 0.004 0.000 0.282 759 S C 1.484 176.123 174.600 0.065 0.000 1.304 759 S CA 0.015 58.235 58.200 0.033 0.000 1.063 759 S CB 0.580 63.813 63.200 0.056 0.000 0.881 759 S HN 1.136 nan 8.310 nan 0.000 0.493 760 I N 4.912 125.499 120.570 0.028 0.000 2.546 760 I HA -0.008 4.164 4.170 0.004 0.000 0.255 760 I C 1.905 178.028 176.117 0.010 0.000 1.163 760 I CA 1.493 62.795 61.300 0.003 0.000 1.457 760 I CB -0.405 37.577 38.000 -0.029 0.000 1.092 760 I HN 0.865 nan 8.210 nan 0.000 0.434 761 E N -0.790 119.432 120.200 0.036 0.000 2.072 761 E HA -0.265 4.087 4.350 0.004 0.000 0.191 761 E C 1.943 178.577 176.600 0.057 0.000 0.985 761 E CA 1.622 58.044 56.400 0.037 0.000 0.801 761 E CB -0.367 29.361 29.700 0.046 0.000 0.750 761 E HN 0.634 nan 8.360 nan 0.000 0.452 762 Y N 1.371 121.662 120.300 -0.015 0.000 2.092 762 Y HA -0.209 4.343 4.550 0.004 0.000 0.282 762 Y C 1.994 177.876 175.900 -0.030 0.000 1.126 762 Y CA 1.517 59.609 58.100 -0.014 0.000 1.111 762 Y CB -0.378 38.077 38.460 -0.008 0.000 0.987 762 Y HN -0.082 nan 8.280 nan 0.000 0.489 763 L N 0.504 121.750 121.223 0.039 0.000 2.089 763 L HA -0.328 4.015 4.340 0.004 0.000 0.213 763 L C 2.539 179.343 176.870 -0.111 0.000 1.079 763 L CA 1.887 56.673 54.840 -0.090 0.000 0.758 763 L CB -0.637 41.404 42.059 -0.029 0.000 0.891 763 L HN 0.237 nan 8.230 nan 0.000 0.433 764 K N -0.323 120.032 120.400 -0.076 0.000 2.107 764 K HA -0.248 4.074 4.320 0.004 0.000 0.211 764 K C 2.266 178.847 176.600 -0.030 0.000 1.049 764 K CA 1.669 57.931 56.287 -0.042 0.000 0.927 764 K CB -0.081 32.393 32.500 -0.043 0.000 0.714 764 K HN 0.322 nan 8.250 nan 0.000 0.452 765 R N 0.356 120.770 120.500 -0.142 0.000 2.061 765 R HA -0.098 4.244 4.340 0.004 0.000 0.230 765 R C 2.086 178.279 176.300 -0.178 0.000 1.140 765 R CA 1.126 57.122 56.100 -0.172 0.000 0.940 765 R CB -0.342 29.803 30.300 -0.258 0.000 0.839 765 R HN 0.220 nan 8.270 nan 0.000 0.429 766 E N 0.367 120.402 120.200 -0.275 0.000 2.219 766 E HA -0.256 4.097 4.350 0.004 0.000 0.198 766 E C 1.590 178.116 176.600 -0.123 0.000 0.998 766 E CA 0.734 57.006 56.400 -0.213 0.000 0.818 766 E CB -0.271 29.275 29.700 -0.258 0.000 0.741 766 E HN 0.533 nan 8.360 nan 0.000 0.477 767 W N 1.961 123.123 121.300 -0.230 0.000 2.342 767 W HA -0.255 4.407 4.660 0.004 0.000 0.297 767 W C 1.848 178.207 176.519 -0.268 0.000 1.213 767 W CA 1.658 58.890 57.345 -0.188 0.000 1.251 767 W CB 0.109 29.498 29.460 -0.118 0.000 1.136 767 W HN 0.088 nan 8.180 nan 0.000 0.526 768 E N 0.448 120.477 120.200 -0.285 0.000 2.114 768 E HA -0.271 4.081 4.350 0.004 0.000 0.199 768 E C 2.000 178.090 176.600 -0.850 0.000 1.008 768 E CA 3.166 59.266 56.400 -0.501 0.000 0.810 768 E CB -0.759 28.803 29.700 -0.230 0.000 0.739 768 E HN 0.232 nan 8.360 nan 0.000 0.456 769 T N -2.666 111.552 114.554 -0.561 0.000 3.107 769 T HA 0.164 4.516 4.350 0.004 0.000 0.249 769 T C 1.624 176.032 174.700 -0.487 0.000 1.096 769 T CA 0.163 61.989 62.100 -0.456 0.000 1.012 769 T CB -0.017 68.715 68.868 -0.226 0.000 0.977 769 T HN 0.156 nan 8.240 nan 0.000 0.527 770 L N 0.735 121.543 121.223 -0.692 0.000 2.638 770 L HA 0.237 4.579 4.340 0.004 0.000 0.232 770 L C 2.165 178.428 176.870 -1.012 0.000 1.099 770 L CA 0.109 54.589 54.840 -0.599 0.000 0.883 770 L CB -0.240 41.561 42.059 -0.430 0.000 1.136 770 L HN 0.393 nan 8.230 nan 0.000 0.492 771 H N -1.963 116.336 119.070 -1.285 0.000 2.567 771 H HA 0.013 4.571 4.556 0.004 0.000 0.276 771 H C 1.122 176.022 175.328 -0.713 0.000 1.016 771 H CA 0.304 55.677 56.048 -1.124 0.000 1.186 771 H CB -0.812 28.476 29.762 -0.790 0.000 1.351 771 H HN 0.189 nan 8.280 nan 0.000 0.605 772 N N 0.074 118.409 118.700 -0.607 0.000 2.230 772 N HA 0.050 4.792 4.740 0.004 0.000 0.202 772 N C -0.991 173.991 175.510 -0.880 0.000 1.119 772 N CA 0.033 52.564 53.050 -0.866 0.000 0.851 772 N CB 0.333 38.340 38.487 -0.799 0.000 0.990 772 N HN 0.178 nan 8.380 nan 0.000 0.497 773 F N 2.271 122.066 119.950 -0.259 0.000 2.427 773 F HA 0.439 4.968 4.527 0.004 0.000 0.346 773 F C -1.783 173.962 175.800 -0.092 0.000 1.120 773 F CA -2.969 54.950 58.000 -0.135 0.000 1.033 773 F CB 1.054 40.002 39.000 -0.087 0.000 1.126 773 F HN -0.162 nan 8.300 nan 0.000 0.462 774 P HA 0.040 nan 4.420 nan 0.000 0.270 774 P C -0.553 176.723 177.300 -0.041 0.000 1.223 774 P CA -0.196 62.930 63.100 0.044 0.000 0.785 774 P CB 0.565 32.314 31.700 0.081 0.000 0.923 775 K N -1.837 118.509 120.400 -0.091 0.000 3.117 775 K HA -0.095 4.227 4.320 0.004 0.000 0.269 775 K C -0.635 175.915 176.600 -0.084 0.000 1.098 775 K CA 0.214 56.349 56.287 -0.254 0.000 0.785 775 K CB -2.097 29.961 32.500 -0.737 0.000 1.242 775 K HN 0.247 nan 8.250 nan 0.000 0.491 776 V N 1.110 121.083 119.914 0.097 0.000 2.495 776 V HA 0.518 4.641 4.120 0.004 0.000 0.298 776 V C 0.286 176.527 176.094 0.245 0.000 1.031 776 V CA -0.389 62.037 62.300 0.209 0.000 0.871 776 V CB 1.912 33.976 31.823 0.402 0.000 0.988 776 V HN 0.413 nan 8.190 nan 0.000 0.432 777 S N 4.486 120.305 115.700 0.198 0.000 2.588 777 S HA 0.844 5.316 4.470 0.004 0.000 0.275 777 S C -1.123 173.579 174.600 0.169 0.000 1.130 777 S CA -0.835 57.449 58.200 0.139 0.000 0.855 777 S CB 2.093 65.339 63.200 0.075 0.000 1.116 777 S HN 0.449 nan 8.310 nan 0.000 0.472 778 I N 1.643 122.262 120.570 0.082 0.000 2.466 778 I HA 0.418 4.590 4.170 0.004 0.000 0.289 778 I C -1.427 174.709 176.117 0.032 0.000 1.026 778 I CA -0.784 60.577 61.300 0.100 0.000 1.078 778 I CB 1.901 39.907 38.000 0.010 0.000 1.249 778 I HN 0.579 nan 8.210 nan 0.000 0.429 779 L N 9.694 130.949 121.223 0.052 0.000 2.277 779 L HA 0.629 4.971 4.340 0.004 0.000 0.284 779 L C -2.554 174.324 176.870 0.014 0.000 1.028 779 L CA -1.923 52.927 54.840 0.018 0.000 0.835 779 L CB 0.793 42.862 42.059 0.017 0.000 1.215 779 L HN 0.226 nan 8.230 nan 0.000 0.425 780 P HA 0.471 nan 4.420 nan 0.000 0.271 780 P C -0.101 177.192 177.300 -0.011 0.000 1.233 780 P CA 0.038 63.133 63.100 -0.008 0.000 0.764 780 P CB 0.981 32.670 31.700 -0.019 0.000 0.825 781 G N 1.281 110.069 108.800 -0.019 0.000 2.393 781 G HA2 0.489 4.452 3.960 0.004 0.000 0.264 781 G HA3 0.489 4.452 3.960 0.004 0.000 0.264 781 G C -1.568 173.298 174.900 -0.056 0.000 1.221 781 G CA -0.266 44.818 45.100 -0.026 0.000 0.912 781 G HN 0.525 nan 8.290 nan 0.000 0.483 782 T N 0.044 114.560 114.554 -0.064 0.000 2.952 782 T HA 0.614 4.967 4.350 0.004 0.000 0.305 782 T C -2.228 172.399 174.700 -0.122 0.000 1.064 782 T CA -1.162 60.865 62.100 -0.122 0.000 1.008 782 T CB 2.102 70.937 68.868 -0.056 0.000 1.078 782 T HN 0.125 nan 8.240 nan 0.000 0.459 783 P HA 0.060 nan 4.420 nan 0.000 0.226 783 P C 1.178 178.496 177.300 0.031 0.000 1.146 783 P CA 0.788 63.813 63.100 -0.126 0.000 0.773 783 P CB 0.052 31.597 31.700 -0.258 0.000 0.772 784 L N -2.137 119.121 121.223 0.058 0.000 2.477 784 L HA 0.083 4.425 4.340 0.004 0.000 0.220 784 L C 1.235 178.135 176.870 0.051 0.000 1.106 784 L CA 0.171 55.072 54.840 0.100 0.000 0.851 784 L CB -0.416 41.728 42.059 0.142 0.000 0.994 784 L HN -0.076 nan 8.230 nan 0.000 0.462 785 S N 0.477 116.193 115.700 0.026 0.000 2.488 785 S HA 0.122 4.594 4.470 0.004 0.000 0.278 785 S C 1.284 175.894 174.600 0.017 0.000 1.259 785 S CA -0.456 57.754 58.200 0.016 0.000 1.061 785 S CB 0.748 63.951 63.200 0.005 0.000 0.910 785 S HN 0.209 nan 8.310 nan 0.000 0.491 786 R N 3.530 124.036 120.500 0.009 0.000 2.115 786 R HA -0.045 4.297 4.340 0.004 0.000 0.226 786 R C 2.431 178.732 176.300 0.002 0.000 1.100 786 R CA 1.307 57.408 56.100 0.001 0.000 0.980 786 R CB -0.537 29.745 30.300 -0.029 0.000 0.875 786 R HN 0.797 nan 8.270 nan 0.000 0.445 787 A N 1.609 124.428 122.820 -0.002 0.000 1.873 787 A HA -0.178 4.145 4.320 0.004 0.000 0.215 787 A C 1.544 179.136 177.584 0.014 0.000 1.186 787 A CA 1.604 53.641 52.037 0.001 0.000 0.616 787 A CB -0.321 18.676 19.000 -0.004 0.000 0.823 787 A HN 0.140 nan 8.150 nan 0.000 0.442 788 D N -0.158 120.250 120.400 0.013 0.000 2.104 788 D HA -0.137 4.506 4.640 0.004 0.000 0.194 788 D C 1.742 178.063 176.300 0.035 0.000 0.994 788 D CA 1.090 55.100 54.000 0.016 0.000 0.830 788 D CB -0.336 40.467 40.800 0.006 0.000 0.959 788 D HN 0.264 nan 8.370 nan 0.000 0.452 789 L N 0.615 121.867 121.223 0.048 0.000 2.141 789 L HA -0.051 4.291 4.340 0.004 0.000 0.209 789 L C 2.396 179.341 176.870 0.125 0.000 1.094 789 L CA 1.238 56.127 54.840 0.082 0.000 0.763 789 L CB -0.440 41.676 42.059 0.095 0.000 0.908 789 L HN -0.073 nan 8.230 nan 0.000 0.437 790 R N -1.287 119.278 120.500 0.108 0.000 2.090 790 R HA -0.058 4.284 4.340 0.004 0.000 0.228 790 R C 2.257 178.613 176.300 0.092 0.000 1.110 790 R CA 1.103 57.283 56.100 0.134 0.000 0.973 790 R CB -0.326 30.013 30.300 0.065 0.000 0.869 790 R HN 0.366 nan 8.270 nan 0.000 0.440 791 A N 0.789 123.640 122.820 0.052 0.000 1.877 791 A HA -0.119 4.203 4.320 0.004 0.000 0.216 791 A C 2.023 179.619 177.584 0.021 0.000 1.186 791 A CA 1.673 53.725 52.037 0.026 0.000 0.620 791 A CB -0.498 18.509 19.000 0.012 0.000 0.822 791 A HN 0.261 nan 8.150 nan 0.000 0.443 792 V N -3.103 116.836 119.914 0.041 0.000 3.636 792 V HA 0.110 4.233 4.120 0.004 0.000 0.279 792 V C 0.192 176.357 176.094 0.119 0.000 1.263 792 V CA 0.335 62.665 62.300 0.050 0.000 1.182 792 V CB -1.634 30.233 31.823 0.073 0.000 0.955 792 V HN 0.580 nan 8.190 nan 0.000 0.443 793 N N -0.312 118.446 118.700 0.097 0.000 2.740 793 N HA -0.258 4.484 4.740 0.004 0.000 0.248 793 N C 0.712 176.297 175.510 0.125 0.000 1.062 793 N CA 1.036 54.147 53.050 0.103 0.000 0.704 793 N CB -1.268 37.242 38.487 0.037 0.000 0.968 793 N HN 0.669 nan 8.380 nan 0.000 0.547 794 I N 1.602 122.229 120.570 0.094 0.000 2.248 794 I HA -0.327 3.846 4.170 0.004 0.000 0.248 794 I C 2.185 178.208 176.117 -0.156 0.000 1.107 794 I CA 2.086 63.386 61.300 0.001 0.000 1.373 794 I CB -0.009 38.029 38.000 0.064 0.000 1.055 794 I HN 0.372 nan 8.210 nan 0.000 0.418 795 N N 0.497 118.990 118.700 -0.345 0.000 2.453 795 N HA -0.163 4.580 4.740 0.004 0.000 0.183 795 N C 1.359 176.677 175.510 -0.321 0.000 1.041 795 N CA 1.117 53.806 53.050 -0.601 0.000 0.900 795 N CB -0.407 37.216 38.487 -1.440 0.000 0.961 795 N HN 0.316 nan 8.380 nan 0.000 0.443 796 L N 1.142 122.268 121.223 -0.162 0.000 2.607 796 L HA 0.215 4.557 4.340 0.004 0.000 0.228 796 L C 0.846 177.685 176.870 -0.051 0.000 1.123 796 L CA -0.518 54.281 54.840 -0.068 0.000 0.890 796 L CB -0.820 41.244 42.059 0.009 0.000 1.103 796 L HN 0.370 nan 8.230 nan 0.000 0.468 797 C N -2.858 116.324 119.300 -0.197 0.000 2.500 797 C HA 0.299 4.762 4.460 0.004 0.000 0.367 797 C C 1.871 176.686 174.990 -0.291 0.000 1.283 797 C CA -0.637 58.078 59.018 -0.505 0.000 2.456 797 C CB 0.969 28.216 27.740 -0.823 0.000 2.457 797 C HN 0.502 nan 8.230 nan 0.000 0.632 798 D N -0.408 119.818 120.400 -0.290 0.000 2.213 798 D HA 0.175 4.817 4.640 0.004 0.000 0.205 798 D C 0.259 176.463 176.300 -0.159 0.000 0.961 798 D CA 0.858 54.752 54.000 -0.175 0.000 0.853 798 D CB 0.168 40.879 40.800 -0.147 0.000 0.967 798 D HN 0.648 nan 8.370 nan 0.000 0.496 799 M N -0.048 119.435 119.600 -0.195 0.000 2.389 799 M HA 0.240 4.722 4.480 0.004 0.000 0.291 799 M C -2.296 173.910 176.300 -0.157 0.000 1.128 799 M CA -0.957 54.258 55.300 -0.141 0.000 0.942 799 M CB 1.461 33.994 32.600 -0.113 0.000 1.783 799 M HN -0.098 nan 8.290 nan 0.000 0.501 800 C N 4.838 124.077 119.300 -0.102 0.000 2.271 800 C HA 0.877 5.339 4.460 0.004 0.000 0.323 800 C C -0.944 174.030 174.990 -0.027 0.000 1.245 800 C CA -0.401 58.572 59.018 -0.075 0.000 1.548 800 C CB -0.104 27.607 27.740 -0.050 0.000 2.214 800 C HN 0.671 nan 8.230 nan 0.000 0.477 801 V N 8.239 128.138 119.914 -0.025 0.000 2.407 801 V HA 0.425 4.547 4.120 0.004 0.000 0.278 801 V C 0.153 176.282 176.094 0.060 0.000 1.037 801 V CA -0.065 62.245 62.300 0.017 0.000 0.900 801 V CB 1.274 33.098 31.823 0.002 0.000 0.983 801 V HN 0.726 nan 8.190 nan 0.000 0.459 802 I N 6.723 127.352 120.570 0.099 0.000 2.382 802 I HA 0.487 4.659 4.170 0.004 0.000 0.285 802 I C -0.596 175.627 176.117 0.177 0.000 1.007 802 I CA -0.209 61.181 61.300 0.149 0.000 1.142 802 I CB 1.240 39.343 38.000 0.171 0.000 1.289 802 I HN 0.341 nan 8.210 nan 0.000 0.453 803 L N 4.755 126.096 121.223 0.196 0.000 2.381 803 L HA 0.546 4.888 4.340 0.004 0.000 0.268 803 L C -0.199 176.802 176.870 0.219 0.000 0.997 803 L CA -0.528 54.424 54.840 0.187 0.000 0.818 803 L CB 2.330 44.486 42.059 0.162 0.000 1.310 803 L HN 0.493 nan 8.230 nan 0.000 0.416 804 S N 1.078 116.881 115.700 0.172 0.000 2.532 804 S HA 0.841 5.313 4.470 0.004 0.000 0.301 804 S C -0.493 174.154 174.600 0.079 0.000 1.083 804 S CA -0.411 57.872 58.200 0.139 0.000 1.025 804 S CB 1.716 64.965 63.200 0.083 0.000 1.056 804 S HN 0.668 nan 8.310 nan 0.000 0.494 805 A N 3.918 126.744 122.820 0.009 0.000 2.282 805 A HA 0.624 4.946 4.320 0.004 0.000 0.319 805 A C 0.382 177.991 177.584 0.043 0.000 1.121 805 A CA -0.740 51.303 52.037 0.010 0.000 0.836 805 A CB 0.240 19.168 19.000 -0.120 0.000 1.146 805 A HN 0.868 nan 8.150 nan 0.000 0.494 818 K N 1.683 121.996 120.400 -0.145 0.000 2.113 818 K HA -0.113 4.209 4.320 0.004 0.000 0.208 818 K C 1.782 178.237 176.600 -0.241 0.000 1.047 818 K CA 1.101 57.279 56.287 -0.181 0.000 0.928 818 K CB -0.118 32.278 32.500 -0.173 0.000 0.716 818 K HN 0.417 nan 8.250 nan 0.000 0.446 819 E N 0.246 120.222 120.200 -0.374 0.000 2.031 819 E HA -0.156 4.196 4.350 0.004 0.000 0.193 819 E C 2.308 178.509 176.600 -0.665 0.000 0.994 819 E CA 1.499 57.475 56.400 -0.705 0.000 0.800 819 E CB -0.169 28.762 29.700 -1.281 0.000 0.752 819 E HN 0.243 nan 8.360 nan 0.000 0.447 820 C N 0.568 119.592 119.300 -0.459 0.000 2.413 820 C HA -0.150 4.313 4.460 0.004 0.000 0.277 820 C C 2.603 177.592 174.990 -0.002 0.000 1.228 820 C CA 0.432 59.392 59.018 -0.098 0.000 1.731 820 C CB -0.896 26.849 27.740 0.008 0.000 2.042 820 C HN 0.389 nan 8.230 nan 0.000 0.468 821 I N 0.419 120.973 120.570 -0.028 0.000 2.163 821 I HA -0.227 3.945 4.170 0.004 0.000 0.243 821 I C 2.518 178.642 176.117 0.012 0.000 1.085 821 I CA 1.250 62.563 61.300 0.021 0.000 1.347 821 I CB -0.587 37.423 38.000 0.016 0.000 1.044 821 I HN 0.261 nan 8.210 nan 0.000 0.408 822 L N 1.204 122.402 121.223 -0.040 0.000 1.990 822 L HA -0.234 4.108 4.340 0.004 0.000 0.213 822 L C 2.596 179.499 176.870 0.054 0.000 1.072 822 L CA 2.303 57.133 54.840 -0.015 0.000 0.755 822 L CB -1.105 40.923 42.059 -0.053 0.000 0.889 822 L HN 0.247 nan 8.230 nan 0.000 0.432 823 A N -1.398 121.490 122.820 0.113 0.000 1.883 823 A HA -0.290 4.032 4.320 0.004 0.000 0.217 823 A C 2.557 180.220 177.584 0.131 0.000 1.186 823 A CA 2.475 54.627 52.037 0.193 0.000 0.624 823 A CB -1.328 17.888 19.000 0.360 0.000 0.822 823 A HN 0.629 nan 8.150 nan 0.000 0.444 824 S N -0.311 115.458 115.700 0.115 0.000 2.353 824 S HA -0.155 4.317 4.470 0.004 0.000 0.222 824 S C 1.989 176.638 174.600 0.081 0.000 1.035 824 S CA 1.664 59.921 58.200 0.096 0.000 1.025 824 S CB -0.584 62.672 63.200 0.094 0.000 0.902 824 S HN 0.470 nan 8.310 nan 0.000 0.440 825 L N 1.497 122.762 121.223 0.071 0.000 2.083 825 L HA -0.085 4.258 4.340 0.004 0.000 0.209 825 L C 2.668 179.572 176.870 0.058 0.000 1.083 825 L CA 1.646 56.523 54.840 0.061 0.000 0.752 825 L CB -0.735 41.353 42.059 0.048 0.000 0.899 825 L HN 0.466 nan 8.230 nan 0.000 0.433 826 N N 0.476 119.212 118.700 0.061 0.000 2.309 826 N HA -0.145 4.597 4.740 0.004 0.000 0.182 826 N C 1.698 177.249 175.510 0.067 0.000 1.018 826 N CA 1.027 54.110 53.050 0.056 0.000 0.876 826 N CB -0.020 38.503 38.487 0.060 0.000 0.972 826 N HN 0.283 nan 8.380 nan 0.000 0.434 827 I N 0.083 120.706 120.570 0.088 0.000 2.233 827 I HA -0.174 3.998 4.170 0.004 0.000 0.243 827 I C 2.028 178.222 176.117 0.129 0.000 1.093 827 I CA 0.888 62.259 61.300 0.118 0.000 1.380 827 I CB -0.225 37.841 38.000 0.110 0.000 1.067 827 I HN 0.103 nan 8.210 nan 0.000 0.413 828 K N 0.726 121.183 120.400 0.094 0.000 2.152 828 K HA -0.072 4.250 4.320 0.004 0.000 0.206 828 K C 1.418 178.067 176.600 0.081 0.000 1.048 828 K CA 1.379 57.717 56.287 0.085 0.000 0.933 828 K CB -0.168 32.369 32.500 0.062 0.000 0.721 828 K HN 0.180 nan 8.250 nan 0.000 0.447 829 S N 0.596 116.333 115.700 0.062 0.000 2.677 829 S HA 0.184 4.657 4.470 0.004 0.000 0.246 829 S C -0.019 174.590 174.600 0.014 0.000 1.005 829 S CA -0.163 58.060 58.200 0.038 0.000 1.062 829 S CB -0.093 63.123 63.200 0.026 0.000 0.778 829 S HN 0.197 nan 8.310 nan 0.000 0.461 830 M N 1.598 121.215 119.600 0.029 0.000 2.578 830 M HA 0.380 4.863 4.480 0.004 0.000 0.321 830 M C -0.739 175.475 176.300 -0.143 0.000 1.182 830 M CA -0.413 54.835 55.300 -0.087 0.000 0.965 830 M CB 1.698 34.263 32.600 -0.058 0.000 1.694 830 M HN 0.096 nan 8.290 nan 0.000 0.461 831 Q N 1.581 121.173 119.800 -0.346 0.000 2.306 831 Q HA 0.639 4.981 4.340 0.004 0.000 0.265 831 Q C -1.820 173.849 176.000 -0.551 0.000 1.022 831 Q CA -0.440 55.211 55.803 -0.254 0.000 0.853 831 Q CB 2.298 30.961 28.738 -0.125 0.000 1.327 831 Q HN 0.559 nan 8.270 nan 0.000 0.449 832 F N 0.270 120.220 119.950 0.000 0.000 2.620 832 F HA 0.409 4.938 4.527 0.004 0.000 0.320 832 F C -0.209 175.590 175.800 -0.002 0.000 1.069 832 F CA -0.459 57.541 58.000 -0.001 0.000 0.953 832 F CB 1.972 40.972 39.000 -0.001 0.000 1.322 832 F HN 0.592 nan 8.300 nan 0.000 0.479 870 I N 2.586 123.175 120.570 0.032 0.000 2.496 870 I HA 0.657 4.830 4.170 0.004 0.000 0.285 870 I C -0.047 176.107 176.117 0.063 0.000 1.080 870 I CA 0.192 61.520 61.300 0.047 0.000 1.404 870 I CB 0.998 39.015 38.000 0.027 0.000 1.403 870 I HN 0.071 nan 8.210 nan 0.000 0.539 871 T N 2.980 117.599 114.554 0.109 0.000 2.856 871 T HA 0.466 4.818 4.350 0.004 0.000 0.283 871 T C 0.034 174.845 174.700 0.186 0.000 1.008 871 T CA -0.720 61.453 62.100 0.121 0.000 0.997 871 T CB 1.522 70.453 68.868 0.104 0.000 0.992 871 T HN 0.799 nan 8.240 nan 0.000 0.454 872 T N 0.619 115.255 114.554 0.136 0.000 2.875 872 T HA 0.501 4.853 4.350 0.004 0.000 0.284 872 T C 1.366 176.173 174.700 0.180 0.000 0.995 872 T CA -0.369 61.822 62.100 0.150 0.000 1.060 872 T CB 0.559 69.475 68.868 0.079 0.000 0.967 872 T HN 0.782 nan 8.240 nan 0.000 0.476 873 G N 2.720 111.671 108.800 0.252 0.000 3.234 873 G HA2 0.111 4.074 3.960 0.004 0.000 0.221 873 G HA3 0.111 4.074 3.960 0.004 0.000 0.221 873 G C 1.181 176.141 174.900 0.100 0.000 1.229 873 G CA 0.099 45.333 45.100 0.224 0.000 0.909 873 G HN 0.685 nan 8.290 nan 0.000 0.510 874 V N 0.251 120.205 119.914 0.068 0.000 2.667 874 V HA -0.061 4.062 4.120 0.004 0.000 0.252 874 V C 1.537 177.638 176.094 0.012 0.000 1.065 874 V CA 0.944 63.266 62.300 0.037 0.000 1.083 874 V CB -0.279 31.560 31.823 0.027 0.000 0.692 874 V HN 0.318 nan 8.190 nan 0.000 0.468 875 N N 1.210 119.909 118.700 -0.001 0.000 2.320 875 N HA 0.289 5.031 4.740 0.004 0.000 0.237 875 N C 0.102 175.586 175.510 -0.044 0.000 1.129 875 N CA 0.078 53.112 53.050 -0.025 0.000 0.854 875 N CB 0.329 38.797 38.487 -0.031 0.000 1.083 875 N HN 0.607 nan 8.380 nan 0.000 0.504 876 I N -1.640 118.905 120.570 -0.041 0.000 2.460 876 I HA 0.544 4.716 4.170 0.004 0.000 0.298 876 I C -2.511 173.581 176.117 -0.042 0.000 0.989 876 I CA -2.550 58.710 61.300 -0.066 0.000 1.173 876 I CB 1.181 39.117 38.000 -0.107 0.000 1.338 876 I HN -0.308 nan 8.210 nan 0.000 0.456 877 P HA 0.373 nan 4.420 nan 0.000 0.269 877 P C -0.824 176.461 177.300 -0.025 0.000 1.252 877 P CA 0.382 63.464 63.100 -0.030 0.000 0.780 877 P CB 0.370 32.040 31.700 -0.049 0.000 0.829 878 I N 3.908 124.481 120.570 0.005 0.000 2.608 878 I HA 0.508 4.680 4.170 0.004 0.000 0.295 878 I C -0.150 175.991 176.117 0.041 0.000 1.049 878 I CA -0.888 60.424 61.300 0.021 0.000 1.063 878 I CB 2.334 40.357 38.000 0.038 0.000 1.248 878 I HN 0.221 nan 8.210 nan 0.000 0.424 879 I N 4.078 124.677 120.570 0.048 0.000 2.512 879 I HA 0.410 4.582 4.170 0.004 0.000 0.287 879 I C -1.051 175.129 176.117 0.105 0.000 1.069 879 I CA 0.099 61.446 61.300 0.078 0.000 1.056 879 I CB 1.645 39.680 38.000 0.059 0.000 1.229 879 I HN 0.517 nan 8.210 nan 0.000 0.429 880 T N 5.993 120.629 114.554 0.138 0.000 2.797 880 T HA 0.265 4.618 4.350 0.004 0.000 0.279 880 T C -0.529 174.289 174.700 0.197 0.000 0.991 880 T CA -0.431 61.760 62.100 0.152 0.000 0.979 880 T CB 1.473 70.424 68.868 0.138 0.000 0.943 880 T HN 0.518 nan 8.240 nan 0.000 0.444 881 E N 4.133 124.454 120.200 0.201 0.000 2.146 881 E HA 0.326 4.678 4.350 0.004 0.000 0.282 881 E C -1.035 175.682 176.600 0.194 0.000 0.989 881 E CA -0.388 56.163 56.400 0.251 0.000 0.799 881 E CB 0.614 30.468 29.700 0.257 0.000 1.088 881 E HN 0.550 nan 8.360 nan 0.000 0.397 882 L N 4.054 125.388 121.223 0.186 0.000 2.331 882 L HA 0.292 4.634 4.340 0.004 0.000 0.275 882 L C 1.174 178.110 176.870 0.109 0.000 1.022 882 L CA -0.693 54.222 54.840 0.126 0.000 0.812 882 L CB 1.858 43.985 42.059 0.114 0.000 1.257 882 L HN 0.430 nan 8.230 nan 0.000 0.435 883 V N 0.426 120.376 119.914 0.059 0.000 2.685 883 V HA 0.037 4.160 4.120 0.004 0.000 0.244 883 V C 0.315 176.364 176.094 -0.075 0.000 1.054 883 V CA 0.749 63.051 62.300 0.003 0.000 1.076 883 V CB -0.366 31.415 31.823 -0.071 0.000 0.725 883 V HN 0.690 nan 8.190 nan 0.000 0.467 884 N N 0.674 119.351 118.700 -0.039 0.000 2.446 884 N HA 0.282 5.025 4.740 0.004 0.000 0.265 884 N C 0.208 175.725 175.510 0.012 0.000 0.975 884 N CA -0.326 52.705 53.050 -0.031 0.000 0.928 884 N CB 1.464 39.939 38.487 -0.020 0.000 1.160 884 N HN 0.006 nan 8.380 nan 0.000 0.495 885 D N 0.138 120.541 120.400 0.005 0.000 2.127 885 D HA -0.221 4.422 4.640 0.004 0.000 0.190 885 D C 1.755 178.055 176.300 0.001 0.000 1.000 885 D CA 1.972 55.972 54.000 0.001 0.000 0.839 885 D CB -0.479 40.314 40.800 -0.012 0.000 0.955 885 D HN 0.688 nan 8.370 nan 0.000 0.446 886 T N -0.088 114.466 114.554 -0.000 0.000 2.760 886 T HA -0.236 4.116 4.350 0.004 0.000 0.269 886 T C 1.050 175.727 174.700 -0.039 0.000 1.047 886 T CA 1.448 63.538 62.100 -0.016 0.000 1.139 886 T CB -0.582 68.287 68.868 0.002 0.000 0.855 886 T HN 0.163 nan 8.240 nan 0.000 0.471 887 N N 1.210 119.932 118.700 0.037 0.000 2.575 887 N HA 0.217 4.959 4.740 0.004 0.000 0.275 887 N C 0.747 176.316 175.510 0.099 0.000 1.202 887 N CA -0.376 52.736 53.050 0.103 0.000 0.945 887 N CB 0.455 39.225 38.487 0.472 0.000 1.247 887 N HN 0.314 nan 8.380 nan 0.000 0.510 888 V N 0.119 120.027 119.914 -0.011 0.000 3.406 888 V HA -0.038 4.084 4.120 0.004 0.000 0.263 888 V C 1.809 177.857 176.094 -0.075 0.000 1.172 888 V CA 1.079 63.389 62.300 0.018 0.000 1.140 888 V CB -0.373 31.474 31.823 0.039 0.000 0.784 888 V HN 0.317 nan 8.190 nan 0.000 0.467 889 Q N -0.134 119.495 119.800 -0.284 0.000 2.173 889 Q HA -0.231 4.112 4.340 0.004 0.000 0.208 889 Q C 1.660 177.448 176.000 -0.353 0.000 0.989 889 Q CA 2.399 57.945 55.803 -0.428 0.000 0.872 889 Q CB -0.226 28.037 28.738 -0.792 0.000 0.909 889 Q HN 0.765 nan 8.270 nan 0.000 0.420 890 F N -0.783 119.180 119.950 0.022 0.000 2.789 890 F HA 0.072 4.601 4.527 0.004 0.000 0.300 890 F C 1.574 177.388 175.800 0.023 0.000 1.132 890 F CA 0.247 58.258 58.000 0.018 0.000 1.404 890 F CB -0.063 38.943 39.000 0.011 0.000 1.114 890 F HN -0.001 nan 8.300 nan 0.000 0.584 891 L N -0.176 121.139 121.223 0.154 0.000 2.109 891 L HA -0.084 4.259 4.340 0.004 0.000 0.207 891 L C -0.067 176.853 176.870 0.084 0.000 1.086 891 L CA 1.023 55.935 54.840 0.119 0.000 0.760 891 L CB -0.344 41.776 42.059 0.101 0.000 0.910 891 L HN 0.146 nan 8.230 nan 0.000 0.437 892 D N -3.867 116.568 120.400 0.058 0.000 2.581 892 D HA 0.217 4.859 4.640 0.004 0.000 0.232 892 D C 0.012 176.333 176.300 0.035 0.000 1.143 892 D CA -0.692 53.333 54.000 0.041 0.000 0.881 892 D CB 0.744 41.554 40.800 0.017 0.000 1.500 892 D HN -0.250 nan 8.370 nan 0.000 0.458 893 Q N 0.581 120.401 119.800 0.033 0.000 2.259 893 Q HA 0.032 4.374 4.340 0.004 0.000 0.201 893 Q C 0.528 176.542 176.000 0.024 0.000 0.938 893 Q CA 1.035 56.859 55.803 0.034 0.000 0.872 893 Q CB -0.450 28.310 28.738 0.037 0.000 0.971 893 Q HN 0.734 nan 8.270 nan 0.000 0.494 894 D N 1.475 121.886 120.400 0.018 0.000 2.336 894 D HA -0.048 4.594 4.640 0.004 0.000 0.229 894 D C 0.158 176.474 176.300 0.028 0.000 1.061 894 D CA 0.005 54.017 54.000 0.019 0.000 0.875 894 D CB -0.158 40.648 40.800 0.011 0.000 0.904 894 D HN 0.205 nan 8.370 nan 0.000 0.525 895 D N -0.451 119.964 120.400 0.025 0.000 2.529 895 D HA 0.284 4.926 4.640 0.004 0.000 0.273 895 D C -0.759 175.564 176.300 0.038 0.000 1.197 895 D CA -0.621 53.406 54.000 0.045 0.000 1.070 895 D CB 0.597 41.419 40.800 0.038 0.000 1.134 895 D HN -0.222 nan 8.370 nan 0.000 0.590 896 D N -0.315 120.113 120.400 0.046 0.000 2.462 896 D HA 0.232 4.874 4.640 0.004 0.000 0.249 896 D C -1.227 175.069 176.300 -0.006 0.000 1.117 896 D CA -0.487 53.525 54.000 0.020 0.000 0.900 896 D CB 0.269 41.085 40.800 0.026 0.000 1.039 896 D HN 0.107 nan 8.370 nan 0.000 0.516 897 D N 1.908 122.291 120.400 -0.029 0.000 2.308 897 D HA 0.200 4.843 4.640 0.004 0.000 0.251 897 D C -0.421 175.845 176.300 -0.057 0.000 1.127 897 D CA 0.181 54.144 54.000 -0.062 0.000 0.876 897 D CB 1.414 42.148 40.800 -0.110 0.000 1.176 897 D HN 0.321 nan 8.370 nan 0.000 0.446 898 D N 2.318 122.682 120.400 -0.060 0.000 2.936 898 D HA 0.181 4.823 4.640 0.004 0.000 0.238 898 D C -2.273 173.995 176.300 -0.052 0.000 1.248 898 D CA -1.770 52.201 54.000 -0.048 0.000 0.903 898 D CB 2.704 43.483 40.800 -0.035 0.000 1.544 898 D HN -0.082 nan 8.370 nan 0.000 0.543 899 P HA 0.106 nan 4.420 nan 0.000 0.237 899 P C -0.078 177.209 177.300 -0.022 0.000 1.178 899 P CA 0.667 63.741 63.100 -0.043 0.000 0.766 899 P CB 0.270 31.952 31.700 -0.031 0.000 0.876 900 D N -4.376 116.016 120.400 -0.014 0.000 2.520 900 D HA 0.025 4.667 4.640 0.004 0.000 0.223 900 D C -0.158 176.144 176.300 0.004 0.000 1.186 900 D CA -0.102 53.900 54.000 0.002 0.000 0.821 900 D CB -0.864 39.945 40.800 0.014 0.000 1.072 900 D HN -0.231 nan 8.370 nan 0.000 0.518 901 T N 1.728 116.273 114.554 -0.015 0.000 2.793 901 T HA 0.095 4.447 4.350 0.004 0.000 0.289 901 T C 0.166 174.846 174.700 -0.034 0.000 0.956 901 T CA -0.005 62.078 62.100 -0.029 0.000 1.177 901 T CB 0.480 69.318 68.868 -0.049 0.000 0.897 901 T HN 0.045 nan 8.240 nan 0.000 0.533 902 E N 1.952 122.146 120.200 -0.010 0.000 2.437 902 E HA 0.025 4.378 4.350 0.004 0.000 0.263 902 E C 1.264 177.839 176.600 -0.042 0.000 1.030 902 E CA -0.349 56.068 56.400 0.029 0.000 0.934 902 E CB 0.302 30.113 29.700 0.185 0.000 0.943 902 E HN 0.434 nan 8.360 nan 0.000 0.444 903 L N 4.333 125.523 121.223 -0.056 0.000 2.034 903 L HA -0.287 4.055 4.340 0.004 0.000 0.217 903 L C 1.937 178.648 176.870 -0.264 0.000 1.077 903 L CA 2.115 56.859 54.840 -0.161 0.000 0.769 903 L CB -0.936 40.980 42.059 -0.238 0.000 0.890 903 L HN 0.860 nan 8.230 nan 0.000 0.435 904 Y N -1.956 118.071 120.300 -0.455 0.000 2.556 904 Y HA -0.077 4.475 4.550 0.004 0.000 0.290 904 Y C 1.791 177.802 175.900 0.184 0.000 1.149 904 Y CA 1.156 59.023 58.100 -0.387 0.000 1.329 904 Y CB -0.616 37.688 38.460 -0.260 0.000 0.975 904 Y HN 0.242 nan 8.280 nan 0.000 0.561 905 L N 0.707 121.657 121.223 -0.455 0.000 2.590 905 L HA 0.115 4.457 4.340 0.004 0.000 0.227 905 L C 1.052 177.906 176.870 -0.026 0.000 1.099 905 L CA 0.222 54.870 54.840 -0.321 0.000 0.872 905 L CB -0.047 41.709 42.059 -0.506 0.000 1.088 905 L HN 0.324 nan 8.230 nan 0.000 0.479 906 T N -3.690 110.877 114.554 0.021 0.000 2.898 906 T HA -0.033 4.319 4.350 0.004 0.000 0.301 906 T C 0.867 175.653 174.700 0.143 0.000 1.049 906 T CA -0.315 61.833 62.100 0.079 0.000 1.095 906 T CB 1.421 70.323 68.868 0.056 0.000 0.976 906 T HN 0.180 nan 8.240 nan 0.000 0.539 907 Q N 1.752 121.629 119.800 0.127 0.000 2.030 907 Q HA -0.098 4.245 4.340 0.004 0.000 0.204 907 Q C -0.750 175.218 176.000 -0.054 0.000 0.986 907 Q CA 1.683 57.474 55.803 -0.020 0.000 0.843 907 Q CB -1.324 27.377 28.738 -0.062 0.000 0.904 907 Q HN 0.606 nan 8.270 nan 0.000 0.420 908 P HA -0.190 nan 4.420 nan 0.000 0.216 908 P C 0.825 178.193 177.300 0.112 0.000 1.154 908 P CA 1.218 64.354 63.100 0.059 0.000 0.865 908 P CB -0.248 31.509 31.700 0.096 0.000 0.789 909 F N 0.436 120.406 119.950 0.034 0.000 2.113 909 F HA -0.072 4.457 4.527 0.004 0.000 0.297 909 F C 2.293 178.144 175.800 0.084 0.000 1.103 909 F CA 1.479 59.532 58.000 0.088 0.000 1.248 909 F CB -0.908 38.157 39.000 0.109 0.000 0.999 909 F HN -0.154 nan 8.300 nan 0.000 0.475 910 A N -0.991 121.877 122.820 0.080 0.000 1.978 910 A HA -0.244 4.078 4.320 0.004 0.000 0.220 910 A C 2.068 179.607 177.584 -0.075 0.000 1.170 910 A CA 1.833 53.731 52.037 -0.231 0.000 0.636 910 A CB -1.658 16.895 19.000 -0.745 0.000 0.810 910 A HN 0.546 nan 8.150 nan 0.000 0.448 911 C N -1.352 117.909 119.300 -0.064 0.000 2.697 911 C HA 0.457 4.919 4.460 0.004 0.000 0.267 911 C C 1.825 176.903 174.990 0.147 0.000 1.278 911 C CA 0.006 59.051 59.018 0.045 0.000 1.708 911 C CB -1.174 26.526 27.740 -0.066 0.000 1.860 911 C HN 1.106 nan 8.230 nan 0.000 0.589 912 G N 0.958 109.770 108.800 0.020 0.000 2.246 912 G HA2 -0.253 3.710 3.960 0.004 0.000 0.273 912 G HA3 -0.253 3.710 3.960 0.004 0.000 0.273 912 G C 0.579 175.511 174.900 0.054 0.000 1.055 912 G CA 0.835 45.933 45.100 -0.003 0.000 0.851 912 G HN 0.431 nan 8.290 nan 0.000 0.500 913 T N -1.022 113.569 114.554 0.062 0.000 2.985 913 T HA 0.630 4.982 4.350 0.004 0.000 0.254 913 T C 0.991 175.764 174.700 0.122 0.000 1.021 913 T CA 1.508 63.658 62.100 0.083 0.000 0.957 913 T CB 0.140 69.044 68.868 0.061 0.000 1.047 913 T HN 1.512 nan 8.240 nan 0.000 0.511 914 A N 0.835 123.752 122.820 0.161 0.000 2.475 914 A HA 0.786 5.108 4.320 0.004 0.000 0.301 914 A C -1.921 175.880 177.584 0.362 0.000 1.059 914 A CA -0.584 51.597 52.037 0.241 0.000 0.710 914 A CB 1.428 20.570 19.000 0.236 0.000 1.288 914 A HN 0.262 nan 8.150 nan 0.000 0.408 915 F N 0.962 121.033 119.950 0.203 0.000 2.574 915 F HA 0.691 5.220 4.527 0.004 0.000 0.313 915 F C -0.067 175.863 175.800 0.218 0.000 1.130 915 F CA -0.064 58.081 58.000 0.240 0.000 0.936 915 F CB 1.876 40.981 39.000 0.176 0.000 1.219 915 F HN 0.933 nan 8.300 nan 0.000 0.445 916 A N 4.054 126.681 122.820 -0.322 0.000 2.354 916 A HA 0.644 4.966 4.320 0.004 0.000 0.321 916 A C 0.022 177.431 177.584 -0.292 0.000 1.125 916 A CA -0.522 51.430 52.037 -0.142 0.000 0.799 916 A CB 1.301 20.272 19.000 -0.048 0.000 1.293 916 A HN 0.707 nan 8.150 nan 0.000 0.452 917 V N 1.513 121.438 119.914 0.018 0.000 2.515 917 V HA -0.195 3.927 4.120 0.004 0.000 0.250 917 V C 2.781 178.875 176.094 -0.000 0.000 1.058 917 V CA 2.519 64.854 62.300 0.057 0.000 1.064 917 V CB -1.133 30.767 31.823 0.129 0.000 0.675 917 V HN 1.136 nan 8.190 nan 0.000 0.461 918 S N 0.306 116.029 115.700 0.038 0.000 2.407 918 S HA -0.254 4.218 4.470 0.004 0.000 0.235 918 S C 1.954 176.547 174.600 -0.012 0.000 1.036 918 S CA 1.887 60.114 58.200 0.046 0.000 1.013 918 S CB -0.916 62.318 63.200 0.057 0.000 0.820 918 S HN 0.333 nan 8.310 nan 0.000 0.476 919 V N 1.631 121.480 119.914 -0.109 0.000 2.469 919 V HA -0.072 4.050 4.120 0.004 0.000 0.251 919 V C 2.245 178.382 176.094 0.071 0.000 1.064 919 V CA 1.827 64.070 62.300 -0.096 0.000 1.066 919 V CB -0.621 31.060 31.823 -0.237 0.000 0.667 919 V HN 0.589 nan 8.190 nan 0.000 0.461 920 L N -0.540 120.713 121.223 0.051 0.000 2.610 920 L HA -0.013 4.330 4.340 0.004 0.000 0.232 920 L C 1.870 178.805 176.870 0.108 0.000 1.149 920 L CA 0.341 55.245 54.840 0.106 0.000 0.872 920 L CB -0.487 41.579 42.059 0.011 0.000 0.992 920 L HN 0.306 nan 8.230 nan 0.000 0.447 921 D N -0.036 120.429 120.400 0.107 0.000 2.123 921 D HA -0.140 4.503 4.640 0.004 0.000 0.200 921 D C 2.375 178.778 176.300 0.172 0.000 0.976 921 D CA 1.685 55.757 54.000 0.120 0.000 0.831 921 D CB 0.057 40.925 40.800 0.114 0.000 0.974 921 D HN 0.284 nan 8.370 nan 0.000 0.469 922 S N 0.207 116.026 115.700 0.198 0.000 2.507 922 S HA -0.101 4.372 4.470 0.004 0.000 0.235 922 S C 1.843 176.623 174.600 0.299 0.000 0.988 922 S CA 0.219 58.552 58.200 0.222 0.000 0.944 922 S CB -0.231 63.066 63.200 0.163 0.000 0.762 922 S HN 0.102 nan 8.310 nan 0.000 0.526 923 L N 0.643 122.028 121.223 0.269 0.000 2.201 923 L HA 0.243 4.586 4.340 0.004 0.000 0.212 923 L C 2.280 179.174 176.870 0.042 0.000 1.105 923 L CA 1.452 56.288 54.840 -0.006 0.000 0.775 923 L CB -1.172 40.753 42.059 -0.223 0.000 0.913 923 L HN 0.354 nan 8.230 nan 0.000 0.440 924 M N -0.821 118.849 119.600 0.118 0.000 2.082 924 M HA -0.243 4.240 4.480 0.004 0.000 0.258 924 M C 2.324 178.743 176.300 0.198 0.000 1.071 924 M CA 2.433 57.825 55.300 0.154 0.000 1.103 924 M CB -0.466 32.267 32.600 0.221 0.000 1.307 924 M HN 0.321 nan 8.290 nan 0.000 0.409 925 S N 0.122 115.959 115.700 0.229 0.000 2.387 925 S HA 0.048 4.521 4.470 0.004 0.000 0.226 925 S C 2.111 176.838 174.600 0.213 0.000 1.026 925 S CA 0.904 59.226 58.200 0.204 0.000 0.972 925 S CB -0.953 62.326 63.200 0.132 0.000 0.814 925 S HN 0.624 nan 8.310 nan 0.000 0.477 926 A N 1.820 124.764 122.820 0.205 0.000 1.908 926 A HA -0.147 4.175 4.320 0.004 0.000 0.218 926 A C 2.410 180.072 177.584 0.131 0.000 1.181 926 A CA 2.219 54.372 52.037 0.194 0.000 0.627 926 A CB -1.337 17.747 19.000 0.140 0.000 0.818 926 A HN 0.576 nan 8.150 nan 0.000 0.445 927 T N -3.271 111.328 114.554 0.075 0.000 3.067 927 T HA -0.099 4.254 4.350 0.004 0.000 0.261 927 T C 1.653 176.377 174.700 0.039 0.000 1.110 927 T CA 1.239 63.361 62.100 0.037 0.000 1.113 927 T CB -0.413 68.458 68.868 0.004 0.000 0.917 927 T HN 0.496 nan 8.240 nan 0.000 0.499 928 Y N 1.107 121.361 120.300 -0.076 0.000 2.114 928 Y HA 0.013 4.565 4.550 0.004 0.000 0.284 928 Y C 1.572 177.353 175.900 -0.199 0.000 1.143 928 Y CA 1.386 59.379 58.100 -0.177 0.000 1.135 928 Y CB -0.619 37.675 38.460 -0.277 0.000 0.980 928 Y HN 0.255 nan 8.280 nan 0.000 0.499 929 F N 0.049 119.953 119.950 -0.076 0.000 2.259 929 F HA -0.022 4.507 4.527 0.004 0.000 0.298 929 F C 0.705 176.404 175.800 -0.167 0.000 1.088 929 F CA 1.293 59.174 58.000 -0.198 0.000 1.358 929 F CB -0.323 38.631 39.000 -0.078 0.000 1.040 929 F HN 0.062 nan 8.300 nan 0.000 0.505 930 N N -0.457 118.281 118.700 0.063 0.000 2.664 930 N HA 0.057 4.800 4.740 0.004 0.000 0.268 930 N C 0.065 175.572 175.510 -0.005 0.000 1.222 930 N CA -0.187 52.871 53.050 0.014 0.000 0.805 930 N CB 0.666 39.173 38.487 0.034 0.000 1.399 930 N HN -0.044 nan 8.380 nan 0.000 0.547 931 D N 2.034 122.412 120.400 -0.037 0.000 2.157 931 D HA -0.192 4.451 4.640 0.004 0.000 0.191 931 D C 0.956 177.259 176.300 0.005 0.000 1.004 931 D CA 1.960 55.943 54.000 -0.029 0.000 0.854 931 D CB 0.327 41.098 40.800 -0.049 0.000 0.936 931 D HN 0.658 nan 8.370 nan 0.000 0.446 932 N N -0.512 118.199 118.700 0.019 0.000 2.244 932 N HA -0.094 4.649 4.740 0.004 0.000 0.183 932 N C 1.502 177.114 175.510 0.171 0.000 1.016 932 N CA 0.455 53.564 53.050 0.098 0.000 0.866 932 N CB 0.082 38.606 38.487 0.062 0.000 0.980 932 N HN 0.187 nan 8.380 nan 0.000 0.430 933 I N 0.863 121.498 120.570 0.108 0.000 2.194 933 I HA -0.200 3.973 4.170 0.004 0.000 0.246 933 I C 2.175 178.306 176.117 0.022 0.000 1.093 933 I CA 0.939 62.294 61.300 0.091 0.000 1.355 933 I CB -1.192 36.831 38.000 0.039 0.000 1.046 933 I HN 0.230 nan 8.210 nan 0.000 0.413 934 L N 1.111 122.329 121.223 -0.008 0.000 1.976 934 L HA -0.224 4.118 4.340 0.004 0.000 0.209 934 L C 2.735 179.599 176.870 -0.010 0.000 1.071 934 L CA 2.790 57.609 54.840 -0.034 0.000 0.746 934 L CB -1.217 40.827 42.059 -0.026 0.000 0.890 934 L HN 0.449 nan 8.230 nan 0.000 0.432 935 T N -2.362 112.197 114.554 0.009 0.000 2.849 935 T HA -0.226 4.127 4.350 0.004 0.000 0.270 935 T C 1.872 176.534 174.700 -0.064 0.000 1.066 935 T CA 1.454 63.551 62.100 -0.005 0.000 1.130 935 T CB -0.808 68.069 68.868 0.014 0.000 0.864 935 T HN 0.320 nan 8.240 nan 0.000 0.481 936 L N 0.801 121.972 121.223 -0.087 0.000 1.988 936 L HA 0.108 4.450 4.340 0.004 0.000 0.207 936 L C 2.395 179.168 176.870 -0.162 0.000 1.071 936 L CA 1.421 56.120 54.840 -0.236 0.000 0.744 936 L CB -0.706 41.166 42.059 -0.311 0.000 0.893 936 L HN 0.124 nan 8.230 nan 0.000 0.433 937 I N -0.007 120.514 120.570 -0.083 0.000 2.113 937 I HA -0.361 3.811 4.170 0.004 0.000 0.242 937 I C 2.764 178.869 176.117 -0.019 0.000 1.064 937 I CA 1.775 63.050 61.300 -0.042 0.000 1.320 937 I CB -1.139 36.882 38.000 0.036 0.000 1.028 937 I HN 0.466 nan 8.210 nan 0.000 0.406 938 R N 0.388 120.891 120.500 0.005 0.000 2.080 938 R HA -0.183 4.159 4.340 0.004 0.000 0.236 938 R C 2.325 178.620 176.300 -0.008 0.000 1.137 938 R CA 2.413 58.532 56.100 0.031 0.000 0.943 938 R CB -0.301 30.023 30.300 0.041 0.000 0.846 938 R HN 0.317 nan 8.270 nan 0.000 0.431 939 T N 1.620 116.137 114.554 -0.061 0.000 2.759 939 T HA -0.170 4.183 4.350 0.004 0.000 0.269 939 T C 1.611 176.243 174.700 -0.113 0.000 1.042 939 T CA 1.356 63.399 62.100 -0.095 0.000 1.140 939 T CB -0.187 68.584 68.868 -0.163 0.000 0.864 939 T HN 0.166 nan 8.240 nan 0.000 0.455 940 L N 0.631 121.770 121.223 -0.140 0.000 2.072 940 L HA 0.149 4.491 4.340 0.004 0.000 0.205 940 L C 2.340 179.145 176.870 -0.109 0.000 1.079 940 L CA 1.377 56.123 54.840 -0.157 0.000 0.752 940 L CB -0.571 41.363 42.059 -0.208 0.000 0.906 940 L HN 0.038 nan 8.230 nan 0.000 0.436 941 V N -0.473 119.391 119.914 -0.083 0.000 2.649 941 V HA -0.136 3.986 4.120 0.004 0.000 0.248 941 V C 2.309 178.413 176.094 0.015 0.000 1.054 941 V CA 1.753 64.018 62.300 -0.059 0.000 1.073 941 V CB -0.369 31.439 31.823 -0.026 0.000 0.699 941 V HN 0.758 nan 8.190 nan 0.000 0.463 942 T N -3.579 110.999 114.554 0.040 0.000 3.086 942 T HA 0.445 4.797 4.350 0.004 0.000 0.250 942 T C 1.312 176.112 174.700 0.168 0.000 1.074 942 T CA 1.007 63.159 62.100 0.086 0.000 0.988 942 T CB 0.804 69.721 68.868 0.081 0.000 0.988 942 T HN 0.762 nan 8.240 nan 0.000 0.530 943 G N 0.724 109.573 108.800 0.082 0.000 4.731 943 G HA2 0.142 4.104 3.960 0.004 0.000 0.266 943 G HA3 0.142 4.104 3.960 0.004 0.000 0.266 943 G C 0.314 175.152 174.900 -0.103 0.000 1.635 943 G CA -0.251 44.858 45.100 0.014 0.000 1.229 943 G HN 1.264 nan 8.290 nan 0.000 0.663 944 G N -0.647 108.114 108.800 -0.065 0.000 2.921 944 G HA2 0.983 4.945 3.960 0.004 0.000 0.291 944 G HA3 0.983 4.945 3.960 0.004 0.000 0.291 944 G C -0.516 174.408 174.900 0.040 0.000 1.370 944 G CA 0.981 46.024 45.100 -0.094 0.000 0.847 944 G HN 2.017 nan 8.290 nan 0.000 0.532 950 E N 0.610 120.870 120.200 0.100 0.000 2.333 950 E HA -0.040 4.312 4.350 0.004 0.000 0.198 950 E C 2.037 178.691 176.600 0.091 0.000 1.007 950 E CA 1.286 57.765 56.400 0.131 0.000 0.845 950 E CB 0.031 29.801 29.700 0.116 0.000 0.766 950 E HN 0.675 nan 8.360 nan 0.000 0.507 951 A N 0.513 123.369 122.820 0.061 0.000 1.872 951 A HA -0.126 4.196 4.320 0.004 0.000 0.214 951 A C 2.005 179.610 177.584 0.036 0.000 1.187 951 A CA 0.793 52.854 52.037 0.039 0.000 0.614 951 A CB -0.320 18.697 19.000 0.029 0.000 0.826 951 A HN 0.212 nan 8.150 nan 0.000 0.442 952 L N 0.255 121.501 121.223 0.040 0.000 2.072 952 L HA -0.019 4.323 4.340 0.004 0.000 0.205 952 L C 2.168 179.062 176.870 0.040 0.000 1.079 952 L CA 1.358 56.215 54.840 0.029 0.000 0.752 952 L CB -0.641 41.428 42.059 0.017 0.000 0.906 952 L HN 0.369 nan 8.230 nan 0.000 0.436 953 I N -0.387 120.226 120.570 0.072 0.000 2.361 953 I HA -0.222 3.950 4.170 0.004 0.000 0.251 953 I C 2.564 178.744 176.117 0.105 0.000 1.133 953 I CA 1.201 62.564 61.300 0.105 0.000 1.413 953 I CB -1.556 36.553 38.000 0.181 0.000 1.073 953 I HN 0.234 nan 8.210 nan 0.000 0.424 954 A N 0.701 123.562 122.820 0.068 0.000 1.972 954 A HA -0.241 4.082 4.320 0.004 0.000 0.219 954 A C 2.274 179.852 177.584 -0.010 0.000 1.169 954 A CA 1.968 54.000 52.037 -0.008 0.000 0.635 954 A CB -0.433 18.546 19.000 -0.034 0.000 0.810 954 A HN 0.428 nan 8.150 nan 0.000 0.446 955 E N -0.116 120.090 120.200 0.010 0.000 2.011 955 E HA -0.098 4.254 4.350 0.004 0.000 0.191 955 E C 1.759 178.367 176.600 0.013 0.000 0.980 955 E CA 1.649 58.055 56.400 0.010 0.000 0.814 955 E CB -0.185 29.521 29.700 0.010 0.000 0.775 955 E HN 0.582 nan 8.360 nan 0.000 0.454 956 E N -0.444 119.764 120.200 0.014 0.000 2.447 956 E HA 0.103 4.456 4.350 0.004 0.000 0.195 956 E C -0.091 176.515 176.600 0.010 0.000 1.028 956 E CA 0.314 56.720 56.400 0.010 0.000 0.876 956 E CB 0.292 29.995 29.700 0.005 0.000 0.885 956 E HN 0.240 nan 8.360 nan 0.000 0.500 957 N N -0.086 118.628 118.700 0.023 0.000 2.725 957 N HA -0.235 4.507 4.740 0.004 0.000 0.249 957 N C -1.684 173.823 175.510 -0.005 0.000 1.103 957 N CA 0.897 53.963 53.050 0.027 0.000 0.707 957 N CB -0.861 37.630 38.487 0.007 0.000 1.043 957 N HN 0.225 nan 8.380 nan 0.000 0.553 958 A N -0.466 122.353 122.820 -0.003 0.000 2.555 958 A HA 0.522 4.844 4.320 0.004 0.000 0.297 958 A C -0.669 176.916 177.584 0.002 0.000 1.060 958 A CA -0.672 51.354 52.037 -0.019 0.000 0.710 958 A CB 0.943 19.940 19.000 -0.005 0.000 1.282 958 A HN 0.165 nan 8.150 nan 0.000 0.399 959 L N 3.063 124.289 121.223 0.005 0.000 2.410 959 L HA 0.353 4.695 4.340 0.004 0.000 0.273 959 L C 0.944 177.838 176.870 0.039 0.000 1.144 959 L CA -0.131 54.731 54.840 0.037 0.000 0.863 959 L CB 0.513 42.630 42.059 0.098 0.000 1.140 959 L HN 0.840 nan 8.230 nan 0.000 0.463 960 R N 3.473 123.899 120.500 -0.124 0.000 2.346 960 R HA 0.587 4.929 4.340 0.004 0.000 0.311 960 R C -0.119 175.732 176.300 -0.749 0.000 0.983 960 R CA -0.650 55.263 56.100 -0.311 0.000 0.880 960 R CB 1.199 31.387 30.300 -0.187 0.000 1.100 960 R HN 0.579 nan 8.270 nan 0.000 0.453 961 G N 0.831 108.735 108.800 -1.493 0.000 2.476 961 G HA2 0.501 4.464 3.960 0.004 0.000 0.269 961 G HA3 0.501 4.464 3.960 0.004 0.000 0.269 961 G C -0.585 173.745 174.900 -0.950 0.000 1.195 961 G CA -0.403 43.548 45.100 -1.913 0.000 0.843 961 G HN 0.786 nan 8.290 nan 0.000 0.545 962 G N -0.962 107.447 108.800 -0.652 0.000 2.694 962 G HA2 0.528 4.490 3.960 0.004 0.000 0.290 962 G HA3 0.528 4.490 3.960 0.004 0.000 0.290 962 G C -1.705 172.966 174.900 -0.382 0.000 1.386 962 G CA -0.802 44.029 45.100 -0.448 0.000 0.872 962 G HN 0.435 nan 8.290 nan 0.000 0.475 963 Y N 0.519 120.789 120.300 -0.049 0.000 2.304 963 Y HA 0.383 4.935 4.550 0.004 0.000 0.328 963 Y C 1.135 177.042 175.900 0.011 0.000 1.123 963 Y CA -0.223 57.877 58.100 -0.001 0.000 1.218 963 Y CB 1.677 40.132 38.460 -0.008 0.000 1.207 963 Y HN 0.274 nan 8.280 nan 0.000 0.495 964 S N 2.306 118.127 115.700 0.201 0.000 2.503 964 S HA 0.069 4.541 4.470 0.004 0.000 0.317 964 S C 0.397 175.034 174.600 0.061 0.000 1.162 964 S CA -0.511 57.754 58.200 0.108 0.000 1.124 964 S CB -0.661 62.622 63.200 0.139 0.000 1.207 964 S HN 0.703 nan 8.310 nan 0.000 0.538 965 T N 1.954 116.522 114.554 0.024 0.000 2.909 965 T HA 0.319 4.672 4.350 0.004 0.000 0.289 965 T C -1.590 173.093 174.700 -0.028 0.000 1.005 965 T CA -2.118 59.984 62.100 0.004 0.000 1.084 965 T CB 1.066 69.934 68.868 0.000 0.000 0.975 965 T HN 0.145 nan 8.240 nan 0.000 0.509 966 P HA -0.148 nan 4.420 nan 0.000 0.217 966 P C 1.131 178.397 177.300 -0.058 0.000 1.148 966 P CA 1.289 64.368 63.100 -0.036 0.000 0.828 966 P CB 0.129 31.816 31.700 -0.020 0.000 0.783 967 Q N -0.667 119.101 119.800 -0.053 0.000 2.123 967 Q HA -0.090 4.252 4.340 0.004 0.000 0.199 967 Q C 2.380 178.323 176.000 -0.095 0.000 0.966 967 Q CA 2.139 57.903 55.803 -0.064 0.000 0.845 967 Q CB -1.517 27.193 28.738 -0.046 0.000 0.907 967 Q HN 0.394 nan 8.270 nan 0.000 0.439 968 T N -0.969 113.524 114.554 -0.102 0.000 2.777 968 T HA -0.081 4.271 4.350 0.004 0.000 0.266 968 T C 1.728 176.292 174.700 -0.227 0.000 1.040 968 T CA 0.753 62.765 62.100 -0.148 0.000 1.141 968 T CB -0.315 68.477 68.868 -0.127 0.000 0.868 968 T HN 0.216 nan 8.240 nan 0.000 0.444 969 L N 0.904 122.002 121.223 -0.208 0.000 2.353 969 L HA 0.084 4.426 4.340 0.004 0.000 0.220 969 L C 3.187 179.912 176.870 -0.241 0.000 1.133 969 L CA 0.712 55.398 54.840 -0.257 0.000 0.798 969 L CB -0.660 41.306 42.059 -0.154 0.000 0.922 969 L HN 0.450 nan 8.230 nan 0.000 0.445 970 A N 0.324 123.031 122.820 -0.188 0.000 1.898 970 A HA -0.186 4.136 4.320 0.004 0.000 0.216 970 A C 1.923 179.360 177.584 -0.246 0.000 1.181 970 A CA 1.539 53.472 52.037 -0.175 0.000 0.620 970 A CB -0.440 18.487 19.000 -0.121 0.000 0.819 970 A HN 0.421 nan 8.150 nan 0.000 0.442 971 N N 0.110 118.650 118.700 -0.267 0.000 2.513 971 N HA -0.118 4.625 4.740 0.004 0.000 0.187 971 N C 1.468 176.713 175.510 -0.442 0.000 1.056 971 N CA 0.740 53.605 53.050 -0.307 0.000 0.907 971 N CB -0.431 37.894 38.487 -0.271 0.000 0.954 971 N HN 0.537 nan 8.380 nan 0.000 0.445 972 R N 0.187 120.349 120.500 -0.564 0.000 2.237 972 R HA -0.037 4.305 4.340 0.004 0.000 0.219 972 R C 0.043 175.703 176.300 -1.067 0.000 1.080 972 R CA 0.464 56.036 56.100 -0.880 0.000 0.995 972 R CB -0.037 29.634 30.300 -1.047 0.000 0.875 972 R HN 0.091 nan 8.270 nan 0.000 0.462 973 D N 1.473 121.495 120.400 -0.630 0.000 2.619 973 D HA 0.083 4.726 4.640 0.004 0.000 0.224 973 D C -0.500 175.651 176.300 -0.249 0.000 1.133 973 D CA 0.059 53.847 54.000 -0.352 0.000 1.017 973 D CB -0.035 40.682 40.800 -0.138 0.000 1.077 973 D HN 0.068 nan 8.370 nan 0.000 0.503 974 R N 0.597 120.929 120.500 -0.280 0.000 2.867 974 R HA 0.529 4.871 4.340 0.004 0.000 0.268 974 R C -0.326 175.870 176.300 -0.173 0.000 1.014 974 R CA -0.822 55.138 56.100 -0.233 0.000 0.946 974 R CB 1.041 31.163 30.300 -0.295 0.000 1.208 974 R HN 0.130 nan 8.270 nan 0.000 0.477 975 C N 1.210 120.414 119.300 -0.162 0.000 2.563 975 C HA 0.412 4.874 4.460 0.004 0.000 0.358 975 C C 0.472 175.372 174.990 -0.150 0.000 1.336 975 C CA -0.159 58.789 59.018 -0.115 0.000 2.454 975 C CB 0.050 27.730 27.740 -0.099 0.000 2.448 975 C HN 0.831 nan 8.230 nan 0.000 0.670 976 R N 0.481 120.925 120.500 -0.094 0.000 2.808 976 R HA 0.750 5.093 4.340 0.004 0.000 0.272 976 R C -1.858 174.465 176.300 0.039 0.000 0.995 976 R CA -0.643 55.397 56.100 -0.100 0.000 0.917 976 R CB 0.672 30.861 30.300 -0.185 0.000 1.217 976 R HN 0.384 nan 8.270 nan 0.000 0.471 977 V N 1.037 121.009 119.914 0.097 0.000 2.686 977 V HA 0.616 4.738 4.120 0.004 0.000 0.295 977 V C 0.229 176.416 176.094 0.155 0.000 1.055 977 V CA 0.407 62.810 62.300 0.172 0.000 1.050 977 V CB 0.905 32.833 31.823 0.175 0.000 0.984 977 V HN 0.975 nan 8.190 nan 0.000 0.482 978 A N 4.323 127.216 122.820 0.121 0.000 2.612 978 A HA 0.717 5.039 4.320 0.004 0.000 0.293 978 A C -1.136 176.417 177.584 -0.052 0.000 1.075 978 A CA -0.735 51.328 52.037 0.044 0.000 0.680 978 A CB 1.775 20.797 19.000 0.038 0.000 1.279 978 A HN 0.665 nan 8.150 nan 0.000 0.411 979 Q N 0.294 120.030 119.800 -0.107 0.000 2.342 979 Q HA 0.708 5.050 4.340 0.004 0.000 0.267 979 Q C -1.562 174.352 176.000 -0.144 0.000 1.038 979 Q CA -0.570 55.105 55.803 -0.214 0.000 0.832 979 Q CB 2.287 30.864 28.738 -0.269 0.000 1.323 979 Q HN 0.646 nan 8.270 nan 0.000 0.448 980 L N 1.417 122.548 121.223 -0.154 0.000 2.410 980 L HA 0.691 5.033 4.340 0.004 0.000 0.270 980 L C -0.779 176.054 176.870 -0.062 0.000 0.983 980 L CA -0.814 53.976 54.840 -0.084 0.000 0.822 980 L CB 1.988 44.014 42.059 -0.054 0.000 1.285 980 L HN 0.673 nan 8.230 nan 0.000 0.409 981 A N 3.977 126.777 122.820 -0.033 0.000 2.310 981 A HA 0.612 4.934 4.320 0.004 0.000 0.299 981 A C 0.063 177.660 177.584 0.021 0.000 1.147 981 A CA -0.386 51.640 52.037 -0.019 0.000 0.818 981 A CB 0.581 19.566 19.000 -0.025 0.000 1.096 981 A HN 0.798 nan 8.150 nan 0.000 0.495 982 L N 3.022 124.259 121.223 0.024 0.000 2.978 982 L HA 0.213 4.555 4.340 0.004 0.000 0.239 982 L C 0.468 177.361 176.870 0.037 0.000 1.293 982 L CA 0.129 55.003 54.840 0.057 0.000 1.085 982 L CB -0.521 41.572 42.059 0.057 0.000 1.432 982 L HN 0.757 nan 8.230 nan 0.000 0.512 983 L N -1.181 120.053 121.223 0.018 0.000 2.435 983 L HA 0.186 4.528 4.340 0.004 0.000 0.195 983 L C 1.375 178.246 176.870 0.001 0.000 1.072 983 L CA 0.435 55.279 54.840 0.006 0.000 0.833 983 L CB 0.119 42.175 42.059 -0.005 0.000 1.081 983 L HN 0.184 nan 8.230 nan 0.000 0.485 984 D N -0.014 120.380 120.400 -0.009 0.000 2.380 984 D HA 0.095 4.737 4.640 0.004 0.000 0.212 984 D C 1.065 177.339 176.300 -0.043 0.000 1.021 984 D CA 0.367 54.352 54.000 -0.024 0.000 0.884 984 D CB 0.177 40.959 40.800 -0.030 0.000 1.001 984 D HN 0.148 nan 8.370 nan 0.000 0.506 985 G N 1.519 110.295 108.800 -0.040 0.000 2.720 985 G HA2 0.043 4.005 3.960 0.004 0.000 0.237 985 G HA3 0.043 4.005 3.960 0.004 0.000 0.237 985 G C -1.763 173.030 174.900 -0.177 0.000 1.239 985 G CA -0.659 44.380 45.100 -0.102 0.000 0.847 985 G HN -0.000 nan 8.290 nan 0.000 0.593 986 P HA 0.065 nan 4.420 nan 0.000 0.250 986 P C 0.125 177.130 177.300 -0.492 0.000 1.239 986 P CA 0.720 63.557 63.100 -0.438 0.000 0.756 986 P CB -0.048 31.339 31.700 -0.522 0.000 1.013 987 F N -2.393 117.563 119.950 0.010 0.000 2.729 987 F HA 0.416 4.945 4.527 0.004 0.000 0.315 987 F C 1.981 177.785 175.800 0.005 0.000 1.102 987 F CA -0.677 57.328 58.000 0.009 0.000 1.204 987 F CB -0.967 38.030 39.000 -0.005 0.000 1.052 987 F HN -0.138 nan 8.300 nan 0.000 0.551 988 A N 0.863 123.754 122.820 0.117 0.000 1.884 988 A HA -0.272 4.051 4.320 0.004 0.000 0.219 988 A C 2.120 179.752 177.584 0.080 0.000 1.197 988 A CA 2.539 54.621 52.037 0.076 0.000 0.637 988 A CB -0.815 18.203 19.000 0.030 0.000 0.827 988 A HN 0.381 nan 8.150 nan 0.000 0.450 989 D N 0.289 120.735 120.400 0.077 0.000 2.154 989 D HA -0.217 4.425 4.640 0.004 0.000 0.190 989 D C 1.631 177.978 176.300 0.078 0.000 1.003 989 D CA 1.658 55.699 54.000 0.069 0.000 0.849 989 D CB -0.803 40.038 40.800 0.068 0.000 0.942 989 D HN 0.408 nan 8.370 nan 0.000 0.446 990 L N 1.163 122.449 121.223 0.106 0.000 2.353 990 L HA 0.021 4.363 4.340 0.004 0.000 0.220 990 L C 2.641 179.556 176.870 0.075 0.000 1.133 990 L CA 1.161 56.056 54.840 0.092 0.000 0.798 990 L CB -0.839 41.277 42.059 0.096 0.000 0.922 990 L HN 0.094 nan 8.230 nan 0.000 0.445 991 G N -0.152 108.693 108.800 0.075 0.000 2.599 991 G HA2 -0.251 3.711 3.960 0.004 0.000 0.219 991 G HA3 -0.251 3.711 3.960 0.004 0.000 0.219 991 G C 0.322 175.248 174.900 0.044 0.000 1.193 991 G CA 0.828 45.962 45.100 0.056 0.000 0.778 991 G HN 0.416 nan 8.290 nan 0.000 0.589 992 D N 0.894 121.318 120.400 0.040 0.000 2.338 992 D HA 0.392 5.034 4.640 0.004 0.000 0.255 992 D C 1.259 177.579 176.300 0.034 0.000 1.237 992 D CA 0.384 54.402 54.000 0.031 0.000 0.883 992 D CB 0.317 41.133 40.800 0.027 0.000 1.087 992 D HN 0.405 nan 8.370 nan 0.000 0.485 993 G N 2.385 111.201 108.800 0.026 0.000 2.402 993 G HA2 -0.192 3.770 3.960 0.004 0.000 0.300 993 G HA3 -0.192 3.770 3.960 0.004 0.000 0.300 993 G C 0.772 175.699 174.900 0.045 0.000 0.987 993 G CA 0.285 45.400 45.100 0.024 0.000 0.881 993 G HN 0.792 nan 8.290 nan 0.000 0.512 994 G N -1.879 106.956 108.800 0.058 0.000 2.580 994 G HA2 0.428 4.390 3.960 0.004 0.000 0.278 994 G HA3 0.428 4.390 3.960 0.004 0.000 0.278 994 G C 0.304 175.261 174.900 0.095 0.000 1.212 994 G CA 0.035 45.180 45.100 0.075 0.000 0.939 994 G HN 0.656 nan 8.290 nan 0.000 0.513 995 C N 0.229 119.589 119.300 0.101 0.000 2.347 995 C HA 0.222 4.685 4.460 0.004 0.000 0.353 995 C C 1.441 176.470 174.990 0.064 0.000 1.273 995 C CA -0.483 58.606 59.018 0.118 0.000 1.861 995 C CB -0.125 27.700 27.740 0.142 0.000 2.420 995 C HN 0.755 nan 8.230 nan 0.000 0.542 996 Y N 3.077 123.398 120.300 0.036 0.000 2.241 996 Y HA -0.114 4.438 4.550 0.003 0.000 0.286 996 Y C 2.062 177.896 175.900 -0.110 0.000 1.166 996 Y CA 2.305 60.414 58.100 0.015 0.000 1.203 996 Y CB -0.285 38.249 38.460 0.123 0.000 0.977 996 Y HN 0.787 nan 8.280 nan 0.000 0.529 997 G N -0.463 108.103 108.800 -0.389 0.000 2.408 997 G HA2 -0.233 3.729 3.960 0.004 0.000 0.217 997 G HA3 -0.233 3.729 3.960 0.004 0.000 0.217 997 G C 1.341 175.796 174.900 -0.741 0.000 1.150 997 G CA 0.989 45.498 45.100 -0.985 0.000 0.776 997 G HN 0.370 nan 8.290 nan 0.000 0.542 998 D N 0.069 120.192 120.400 -0.462 0.000 2.117 998 D HA -0.087 4.555 4.640 0.004 0.000 0.197 998 D C 2.391 178.596 176.300 -0.158 0.000 0.987 998 D CA 0.513 54.448 54.000 -0.108 0.000 0.829 998 D CB -0.261 40.558 40.800 0.032 0.000 0.961 998 D HN 0.238 nan 8.370 nan 0.000 0.460 999 L N 0.143 121.209 121.223 -0.262 0.000 1.976 999 L HA -0.123 4.219 4.340 0.004 0.000 0.209 999 L C 2.177 178.744 176.870 -0.505 0.000 1.071 999 L CA 1.539 56.122 54.840 -0.427 0.000 0.746 999 L CB -1.119 40.677 42.059 -0.438 0.000 0.890 999 L HN -0.002 nan 8.230 nan 0.000 0.432 1000 F N -0.119 119.389 119.950 -0.738 0.000 2.085 1000 F HA -0.376 4.153 4.527 0.004 0.000 0.299 1000 F C 2.480 177.969 175.800 -0.517 0.000 1.096 1000 F CA 2.254 59.788 58.000 -0.777 0.000 1.227 1000 F CB -0.767 37.511 39.000 -1.203 0.000 0.983 1000 F HN 0.268 nan 8.300 nan 0.000 0.482 1001 C N 0.428 119.608 119.300 -0.200 0.000 2.462 1001 C HA -0.157 4.305 4.460 0.004 0.000 0.278 1001 C C 2.738 177.653 174.990 -0.125 0.000 1.253 1001 C CA 1.436 60.401 59.018 -0.088 0.000 1.713 1001 C CB -1.121 26.670 27.740 0.085 0.000 2.049 1001 C HN 0.518 nan 8.230 nan 0.000 0.477 1002 K N 0.848 121.198 120.400 -0.083 0.000 2.147 1002 K HA -0.121 4.202 4.320 0.004 0.000 0.205 1002 K C 2.041 178.682 176.600 0.067 0.000 1.049 1002 K CA 1.407 57.718 56.287 0.040 0.000 0.936 1002 K CB -0.221 32.402 32.500 0.204 0.000 0.722 1002 K HN 0.444 nan 8.250 nan 0.000 0.446 1003 A N 1.198 123.947 122.820 -0.119 0.000 1.858 1003 A HA -0.143 4.180 4.320 0.004 0.000 0.216 1003 A C 1.969 179.520 177.584 -0.055 0.000 1.190 1003 A CA 1.717 53.726 52.037 -0.046 0.000 0.617 1003 A CB -0.551 18.225 19.000 -0.374 0.000 0.827 1003 A HN 0.390 nan 8.150 nan 0.000 0.443 1004 L N -1.667 119.385 121.223 -0.286 0.000 2.418 1004 L HA 0.265 4.608 4.340 0.004 0.000 0.218 1004 L C 1.817 178.628 176.870 -0.098 0.000 1.125 1004 L CA 2.077 56.797 54.840 -0.201 0.000 0.835 1004 L CB -0.847 41.014 42.059 -0.329 0.000 0.953 1004 L HN 0.319 nan 8.230 nan 0.000 0.454 1005 K N 0.383 120.723 120.400 -0.099 0.000 2.001 1005 K HA -0.090 4.233 4.320 0.004 0.000 0.208 1005 K C 1.752 178.291 176.600 -0.100 0.000 1.048 1005 K CA 1.987 58.234 56.287 -0.066 0.000 0.932 1005 K CB -0.178 32.296 32.500 -0.043 0.000 0.715 1005 K HN 0.428 nan 8.250 nan 0.000 0.437 1006 T N -0.772 113.686 114.554 -0.160 0.000 2.978 1006 T HA -0.020 4.333 4.350 0.004 0.000 0.262 1006 T C 0.770 175.125 174.700 -0.575 0.000 1.063 1006 T CA 0.965 62.807 62.100 -0.430 0.000 1.140 1006 T CB -0.061 68.410 68.868 -0.662 0.000 0.886 1006 T HN 0.254 nan 8.240 nan 0.000 0.470 1007 Y N 0.098 120.407 120.300 0.016 0.000 2.471 1007 Y HA 0.375 4.928 4.550 0.004 0.000 0.249 1007 Y C 0.668 176.570 175.900 0.003 0.000 1.116 1007 Y CA -1.084 57.023 58.100 0.013 0.000 1.240 1007 Y CB 0.115 38.593 38.460 0.031 0.000 1.251 1007 Y HN -0.026 nan 8.280 nan 0.000 0.527 1008 N N 0.805 119.563 118.700 0.097 0.000 2.754 1008 N HA -0.216 4.527 4.740 0.004 0.000 0.248 1008 N C -0.328 175.217 175.510 0.058 0.000 1.093 1008 N CA 0.889 53.981 53.050 0.069 0.000 0.699 1008 N CB -1.110 37.426 38.487 0.082 0.000 1.016 1008 N HN 0.426 nan 8.380 nan 0.000 0.552 1009 M N 0.915 120.538 119.600 0.037 0.000 2.044 1009 M HA 0.304 4.786 4.480 0.004 0.000 0.333 1009 M C -0.634 175.595 176.300 -0.118 0.000 1.004 1009 M CA -0.576 54.727 55.300 0.005 0.000 0.954 1009 M CB 0.793 33.424 32.600 0.051 0.000 1.468 1009 M HN 0.180 nan 8.290 nan 0.000 0.414 1010 L N 5.558 126.751 121.223 -0.050 0.000 2.290 1010 L HA 0.426 4.768 4.340 0.004 0.000 0.284 1010 L C -1.174 175.726 176.870 0.050 0.000 1.078 1010 L CA -0.372 54.429 54.840 -0.064 0.000 0.815 1010 L CB 0.768 42.926 42.059 0.165 0.000 1.162 1010 L HN 0.847 nan 8.230 nan 0.000 0.435 1011 C N 4.526 123.821 119.300 -0.009 0.000 2.376 1011 C HA 0.473 4.935 4.460 0.004 0.000 0.335 1011 C C 0.440 175.683 174.990 0.422 0.000 1.229 1011 C CA -0.640 58.420 59.018 0.070 0.000 1.867 1011 C CB 0.741 28.453 27.740 -0.047 0.000 2.319 1011 C HN 0.865 nan 8.230 nan 0.000 0.515 1012 F N -0.355 119.821 119.950 0.376 0.000 2.859 1012 F HA 0.644 5.174 4.527 0.004 0.000 0.324 1012 F C 0.418 176.367 175.800 0.249 0.000 1.158 1012 F CA -0.071 58.130 58.000 0.335 0.000 1.147 1012 F CB -0.194 38.925 39.000 0.198 0.000 1.137 1012 F HN 0.841 nan 8.300 nan 0.000 0.516 1013 G N 0.837 109.759 108.800 0.204 0.000 2.328 1013 G HA2 0.417 4.380 3.960 0.004 0.000 0.299 1013 G HA3 0.417 4.380 3.960 0.004 0.000 0.299 1013 G C -2.040 172.964 174.900 0.174 0.000 1.435 1013 G CA -0.967 44.206 45.100 0.122 0.000 0.865 1013 G HN 0.078 nan 8.290 nan 0.000 0.601 1014 I N -0.026 120.588 120.570 0.074 0.000 2.562 1014 I HA 0.450 4.622 4.170 0.004 0.000 0.301 1014 I C -1.151 175.072 176.117 0.177 0.000 1.003 1014 I CA -0.973 60.350 61.300 0.039 0.000 1.127 1014 I CB 1.864 39.803 38.000 -0.101 0.000 1.304 1014 I HN 0.525 nan 8.210 nan 0.000 0.446 1015 Y N 5.490 125.696 120.300 -0.158 0.000 2.464 1015 Y HA 0.413 4.965 4.550 0.004 0.000 0.326 1015 Y C -0.125 175.635 175.900 -0.233 0.000 0.969 1015 Y CA -0.763 57.231 58.100 -0.176 0.000 1.270 1015 Y CB 0.551 38.818 38.460 -0.322 0.000 1.103 1015 Y HN 0.441 nan 8.280 nan 0.000 0.491 1016 R N 4.801 125.018 120.500 -0.472 0.000 2.474 1016 R HA 0.394 4.736 4.340 0.004 0.000 0.295 1016 R C -1.012 175.054 176.300 -0.389 0.000 0.980 1016 R CA -1.222 54.622 56.100 -0.428 0.000 0.934 1016 R CB 1.489 31.521 30.300 -0.447 0.000 1.101 1016 R HN 0.587 nan 8.270 nan 0.000 0.469 1017 L N 4.078 125.176 121.223 -0.209 0.000 2.540 1017 L HA -0.008 4.334 4.340 0.004 0.000 0.276 1017 L C 2.024 178.926 176.870 0.052 0.000 1.212 1017 L CA 0.534 55.304 54.840 -0.117 0.000 0.893 1017 L CB 0.259 42.270 42.059 -0.080 0.000 1.138 1017 L HN 0.591 nan 8.230 nan 0.000 0.491 1018 R N 0.519 121.052 120.500 0.054 0.000 2.193 1018 R HA -0.065 4.278 4.340 0.004 0.000 0.229 1018 R C -0.387 175.991 176.300 0.129 0.000 1.110 1018 R CA 1.062 57.224 56.100 0.103 0.000 0.988 1018 R CB -0.225 29.837 30.300 -0.398 0.000 0.871 1018 R HN 0.491 nan 8.270 nan 0.000 0.458 1019 D N 1.083 121.518 120.400 0.058 0.000 2.638 1019 D HA 0.422 5.065 4.640 0.004 0.000 0.245 1019 D C -0.719 175.614 176.300 0.055 0.000 1.176 1019 D CA 0.019 54.056 54.000 0.063 0.000 0.996 1019 D CB 1.192 42.008 40.800 0.026 0.000 1.012 1019 D HN 0.434 nan 8.370 nan 0.000 0.515 1026 S N 0.719 116.424 115.700 0.010 0.000 2.541 1026 S HA 0.404 4.877 4.470 0.004 0.000 0.271 1026 S C 0.041 174.640 174.600 -0.002 0.000 1.133 1026 S CA -0.467 57.736 58.200 0.006 0.000 0.876 1026 S CB 1.898 65.102 63.200 0.007 0.000 1.105 1026 S HN 0.294 nan 8.310 nan 0.000 0.470 1027 Q N 1.187 120.985 119.800 -0.003 0.000 2.354 1027 Q HA 0.193 4.536 4.340 0.004 0.000 0.203 1027 Q C 0.895 176.886 176.000 -0.015 0.000 0.933 1027 Q CA 0.427 56.226 55.803 -0.007 0.000 0.901 1027 Q CB 0.008 28.745 28.738 -0.002 0.000 1.007 1027 Q HN 0.703 nan 8.270 nan 0.000 0.495 1028 C N 2.125 121.414 119.300 -0.018 0.000 2.638 1028 C HA 0.108 4.570 4.460 0.004 0.000 0.410 1028 C C 1.593 176.553 174.990 -0.049 0.000 1.404 1028 C CA 0.469 59.468 59.018 -0.032 0.000 1.651 1028 C CB -0.483 27.237 27.740 -0.034 0.000 2.495 1028 C HN 0.592 nan 8.230 nan 0.000 0.606 1029 T N 2.273 116.792 114.554 -0.058 0.000 3.223 1029 T HA 0.216 4.569 4.350 0.004 0.000 0.259 1029 T C 0.314 174.945 174.700 -0.116 0.000 1.015 1029 T CA -0.240 61.812 62.100 -0.079 0.000 0.908 1029 T CB -0.385 68.443 68.868 -0.067 0.000 1.054 1029 T HN 0.808 nan 8.240 nan 0.000 0.567 1030 K N 1.825 122.151 120.400 -0.124 0.000 2.401 1030 K HA 0.320 4.643 4.320 0.004 0.000 0.278 1030 K C 0.234 176.685 176.600 -0.249 0.000 1.018 1030 K CA 0.083 56.269 56.287 -0.169 0.000 0.981 1030 K CB 0.579 32.976 32.500 -0.171 0.000 0.933 1030 K HN 0.336 nan 8.250 nan 0.000 0.477 1031 R N 1.878 122.150 120.500 -0.380 0.000 2.803 1031 R HA 0.348 4.691 4.340 0.004 0.000 0.276 1031 R C -1.075 174.905 176.300 -0.534 0.000 0.978 1031 R CA -0.935 54.779 56.100 -0.643 0.000 0.939 1031 R CB 1.305 30.806 30.300 -1.331 0.000 1.179 1031 R HN 0.554 nan 8.270 nan 0.000 0.472 1032 Y N -1.911 118.122 120.300 -0.446 0.000 2.602 1032 Y HA 0.682 5.234 4.550 0.003 0.000 0.342 1032 Y C -0.821 175.239 175.900 0.266 0.000 1.029 1032 Y CA -1.392 56.651 58.100 -0.096 0.000 1.080 1032 Y CB 0.752 39.093 38.460 -0.199 0.000 1.284 1032 Y HN 0.150 nan 8.280 nan 0.000 0.485 1033 V N 3.475 123.689 119.914 0.500 0.000 2.509 1033 V HA 0.333 4.455 4.120 0.004 0.000 0.284 1033 V C -0.140 176.199 176.094 0.409 0.000 1.047 1033 V CA -0.559 62.031 62.300 0.482 0.000 0.952 1033 V CB 0.968 33.023 31.823 0.387 0.000 0.988 1033 V HN 0.677 nan 8.190 nan 0.000 0.469 1034 I N 3.703 124.393 120.570 0.199 0.000 2.495 1034 I HA 0.239 4.411 4.170 0.004 0.000 0.277 1034 I C 0.140 176.242 176.117 -0.025 0.000 1.045 1034 I CA -0.146 61.199 61.300 0.075 0.000 1.135 1034 I CB 1.557 39.498 38.000 -0.099 0.000 1.241 1034 I HN 0.538 nan 8.210 nan 0.000 0.469 1035 T N 4.367 118.915 114.554 -0.010 0.000 2.814 1035 T HA 0.073 4.426 4.350 0.004 0.000 0.297 1035 T C 0.610 175.279 174.700 -0.051 0.000 0.956 1035 T CA -0.007 62.081 62.100 -0.020 0.000 1.123 1035 T CB 0.161 69.019 68.868 -0.015 0.000 0.902 1035 T HN 0.680 nan 8.240 nan 0.000 0.528 1036 N N 3.017 121.714 118.700 -0.004 0.000 2.642 1036 N HA -0.122 4.621 4.740 0.004 0.000 0.269 1036 N C -2.561 172.878 175.510 -0.118 0.000 1.073 1036 N CA -0.071 52.995 53.050 0.027 0.000 0.748 1036 N CB -0.471 38.082 38.487 0.111 0.000 0.894 1036 N HN 0.323 nan 8.380 nan 0.000 0.548 1037 P HA 0.299 nan 4.420 nan 0.000 0.274 1037 P C -2.512 174.731 177.300 -0.095 0.000 1.237 1037 P CA -1.021 61.797 63.100 -0.469 0.000 0.793 1037 P CB 0.199 31.232 31.700 -1.111 0.000 0.977 1038 P HA 0.068 nan 4.420 nan 0.000 0.272 1038 P C 0.872 178.344 177.300 0.287 0.000 1.240 1038 P CA -0.135 63.045 63.100 0.134 0.000 0.791 1038 P CB 0.171 31.981 31.700 0.182 0.000 0.978 1039 Y N 1.796 122.158 120.300 0.104 0.000 2.062 1039 Y HA -0.300 4.252 4.550 0.003 0.000 0.276 1039 Y C 1.949 178.020 175.900 0.286 0.000 1.189 1039 Y CA 2.136 60.369 58.100 0.222 0.000 1.130 1039 Y CB -0.055 38.465 38.460 0.100 0.000 0.959 1039 Y HN 0.397 nan 8.280 nan 0.000 0.499 1040 E N 0.156 120.643 120.200 0.477 0.000 2.403 1040 E HA -0.091 4.261 4.350 0.004 0.000 0.187 1040 E C -0.299 176.474 176.600 0.289 0.000 1.073 1040 E CA -0.243 56.377 56.400 0.368 0.000 0.888 1040 E CB -1.321 28.538 29.700 0.265 0.000 1.035 1040 E HN 0.387 nan 8.360 nan 0.000 0.471 1041 F N 2.523 122.583 119.950 0.185 0.000 2.578 1041 F HA 0.038 4.568 4.527 0.005 0.000 0.376 1041 F C 0.769 176.633 175.800 0.107 0.000 1.085 1041 F CA -0.001 58.075 58.000 0.127 0.000 1.260 1041 F CB 0.631 39.679 39.000 0.079 0.000 1.095 1041 F HN -0.070 nan 8.300 nan 0.000 0.573 1042 E N 5.541 125.572 120.200 -0.283 0.000 2.152 1042 E HA 0.172 4.524 4.350 0.004 0.000 0.285 1042 E C -0.758 175.819 176.600 -0.039 0.000 1.043 1042 E CA -0.876 55.451 56.400 -0.122 0.000 0.839 1042 E CB 0.661 30.258 29.700 -0.172 0.000 1.069 1042 E HN 0.437 nan 8.360 nan 0.000 0.399 1043 L N 3.884 125.155 121.223 0.080 0.000 2.476 1043 L HA 0.162 4.504 4.340 0.004 0.000 0.264 1043 L C -0.294 176.596 176.870 0.034 0.000 1.224 1043 L CA 0.135 55.032 54.840 0.095 0.000 0.821 1043 L CB 1.172 43.294 42.059 0.104 0.000 1.101 1043 L HN 0.301 nan 8.230 nan 0.000 0.488 1044 V N 1.965 121.898 119.914 0.033 0.000 2.841 1044 V HA 0.376 4.499 4.120 0.004 0.000 0.310 1044 V C -1.848 174.255 176.094 0.015 0.000 1.090 1044 V CA -0.900 61.407 62.300 0.011 0.000 0.930 1044 V CB 1.881 33.701 31.823 -0.005 0.000 1.014 1044 V HN 0.665 nan 8.190 nan 0.000 0.425 1045 P HA -0.090 nan 4.420 nan 0.000 0.223 1045 P C 1.114 178.416 177.300 0.002 0.000 1.151 1045 P CA 1.406 64.515 63.100 0.015 0.000 0.787 1045 P CB 0.024 31.732 31.700 0.014 0.000 0.788 1046 T N -4.457 110.092 114.554 -0.009 0.000 3.219 1046 T HA 0.080 4.432 4.350 0.004 0.000 0.249 1046 T C 0.426 175.102 174.700 -0.040 0.000 1.099 1046 T CA -0.326 61.759 62.100 -0.025 0.000 0.988 1046 T CB -0.679 68.171 68.868 -0.031 0.000 0.999 1046 T HN -0.105 nan 8.240 nan 0.000 0.550 1047 D N 1.287 121.671 120.400 -0.027 0.000 2.339 1047 D HA 0.506 5.148 4.640 0.004 0.000 0.245 1047 D C -0.141 176.131 176.300 -0.046 0.000 1.115 1047 D CA -0.326 53.651 54.000 -0.038 0.000 0.917 1047 D CB 1.086 41.884 40.800 -0.005 0.000 1.192 1047 D HN 0.298 nan 8.370 nan 0.000 0.428 1048 L N 1.459 122.639 121.223 -0.072 0.000 2.354 1048 L HA 0.525 4.868 4.340 0.004 0.000 0.269 1048 L C -0.656 176.119 176.870 -0.159 0.000 1.005 1048 L CA -0.931 53.844 54.840 -0.108 0.000 0.819 1048 L CB 1.806 43.800 42.059 -0.108 0.000 1.311 1048 L HN 0.151 nan 8.230 nan 0.000 0.423 1049 I N 1.619 122.069 120.570 -0.201 0.000 2.436 1049 I HA 0.327 4.499 4.170 0.004 0.000 0.289 1049 I C -0.683 175.232 176.117 -0.337 0.000 1.010 1049 I CA -0.012 61.177 61.300 -0.185 0.000 1.098 1049 I CB 1.627 39.584 38.000 -0.072 0.000 1.266 1049 I HN 0.199 nan 8.210 nan 0.000 0.434 1050 F N 6.339 126.098 119.950 -0.318 0.000 2.502 1050 F HA 0.343 4.872 4.527 0.004 0.000 0.371 1050 F C 0.672 175.860 175.800 -1.020 0.000 1.083 1050 F CA -0.038 57.569 58.000 -0.656 0.000 1.174 1050 F CB 0.325 38.825 39.000 -0.834 0.000 1.096 1050 F HN 0.515 nan 8.300 nan 0.000 0.545 1051 C N 3.245 122.272 119.300 -0.455 0.000 3.171 1051 C HA 0.846 5.309 4.460 0.004 0.000 0.308 1051 C C -0.820 174.243 174.990 0.123 0.000 1.334 1051 C CA -1.601 57.273 59.018 -0.241 0.000 1.473 1051 C CB 0.907 28.565 27.740 -0.137 0.000 1.866 1051 C HN 0.670 nan 8.230 nan 0.000 0.465 1052 L N 2.059 123.431 121.223 0.249 0.000 2.287 1052 L HA 0.620 4.962 4.340 0.004 0.000 0.287 1052 L C 0.121 177.037 176.870 0.077 0.000 1.022 1052 L CA -0.291 54.663 54.840 0.190 0.000 0.814 1052 L CB 1.214 43.390 42.059 0.195 0.000 1.217 1052 L HN 0.673 nan 8.230 nan 0.000 0.420 1053 M N 2.215 121.843 119.600 0.047 0.000 2.537 1053 M HA 0.400 4.882 4.480 0.004 0.000 0.324 1053 M C -0.435 175.879 176.300 0.024 0.000 1.187 1053 M CA -0.915 54.403 55.300 0.029 0.000 0.993 1053 M CB 1.997 34.611 32.600 0.023 0.000 1.666 1053 M HN 0.478 nan 8.290 nan 0.000 0.461 1054 Q N 1.024 120.845 119.800 0.035 0.000 2.354 1054 Q HA 0.294 4.636 4.340 0.004 0.000 0.244 1054 Q C -0.666 175.380 176.000 0.075 0.000 0.969 1054 Q CA -0.072 55.759 55.803 0.046 0.000 0.885 1054 Q CB 0.831 29.601 28.738 0.053 0.000 1.241 1054 Q HN 0.529 nan 8.270 nan 0.000 0.461 1055 F N 0.917 120.823 119.950 -0.073 0.000 2.485 1055 F HA 0.049 4.578 4.527 0.004 0.000 0.327 1055 F C 0.313 176.119 175.800 0.011 0.000 1.203 1055 F CA 0.356 58.310 58.000 -0.077 0.000 1.295 1055 F CB 0.608 39.523 39.000 -0.141 0.000 1.191 1055 F HN 0.532 nan 8.300 nan 0.000 0.588 1056 D N 0.000 119.717 120.400 -1.139 0.000 6.856 1056 D HA 0.000 4.642 4.640 0.004 0.000 0.175 1056 D CA 0.000 53.578 54.000 -0.703 0.000 0.868 1056 D CB 0.000 40.640 40.800 -0.266 0.000 0.688 1056 D HN 0.000 nan 8.370 nan 0.000 0.683