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 2ofj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRSAQVYRWQ IPMDXXXXXX XRRLKTRDGL YVCLREGERE GWGEISPLPG DATA SEQUENCE FSQETWEEAQ SVLLAWVNNW LAGDCELPQM PSVAFGVSCA LAELTDTLPQ DATA SEQUENCE AANYRAAPLC NXXXXXXXXX XXXXPGEKVA KVKVGLYEAV RDGMVVNLLL DATA SEQUENCE EAIPDLHLRL DANRAWTPLK GQQFAKYVNP DYRDRIAFLA EPCKTRDDSR DATA SEQUENCE AFARETGIAI AWDESLREPD FAFVAEEGVR AVVIKPTLTG SLEKVREQVQ DATA SEQUENCE AAHALGLTAV ISSSIESSLG LTQLARIAAW LTPDTIPGLD TLDLMQAQQV DATA SEQUENCE RRWPGSTLPV VEVDALERLL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.267 176.300 -0.055 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.060 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 R N 1.808 122.238 120.500 -0.118 0.000 2.486 2 R HA 0.913 5.248 4.340 -0.009 0.000 0.286 2 R C -0.571 175.732 176.300 0.006 0.000 0.999 2 R CA -0.504 55.523 56.100 -0.123 0.000 0.993 2 R CB 1.835 31.830 30.300 -0.508 0.000 1.084 2 R HN 0.805 nan 8.270 nan 0.000 0.487 3 S N 0.033 115.831 115.700 0.162 0.000 2.625 3 S HA 0.862 5.326 4.470 -0.009 0.000 0.271 3 S C -1.460 173.269 174.600 0.216 0.000 1.161 3 S CA -0.884 57.401 58.200 0.141 0.000 0.820 3 S CB 2.278 65.518 63.200 0.067 0.000 1.137 3 S HN 0.754 nan 8.310 nan 0.000 0.470 4 A N 0.372 123.251 122.820 0.097 0.000 2.604 4 A HA 0.821 5.136 4.320 -0.009 0.000 0.295 4 A C -1.901 175.642 177.584 -0.069 0.000 1.067 4 A CA -0.722 51.326 52.037 0.018 0.000 0.683 4 A CB 1.734 20.780 19.000 0.076 0.000 1.281 4 A HN 0.734 nan 8.150 nan 0.000 0.407 5 Q N -0.431 119.273 119.800 -0.161 0.000 2.389 5 Q HA 0.701 5.036 4.340 -0.009 0.000 0.277 5 Q C -1.258 174.547 176.000 -0.326 0.000 1.082 5 Q CA -0.590 55.048 55.803 -0.275 0.000 0.810 5 Q CB 2.722 31.274 28.738 -0.309 0.000 1.374 5 Q HN 0.643 nan 8.270 nan 0.000 0.422 6 V N 2.219 121.892 119.914 -0.403 0.000 2.709 6 V HA 0.578 4.693 4.120 -0.009 0.000 0.308 6 V C -1.466 174.423 176.094 -0.341 0.000 1.062 6 V CA -0.772 61.393 62.300 -0.224 0.000 0.901 6 V CB 1.267 33.041 31.823 -0.080 0.000 1.003 6 V HN 0.669 nan 8.190 nan 0.000 0.425 7 Y N 2.737 123.153 120.300 0.192 0.000 2.485 7 Y HA 0.734 5.279 4.550 -0.007 0.000 0.345 7 Y C 0.156 176.160 175.900 0.173 0.000 0.998 7 Y CA -0.767 57.484 58.100 0.251 0.000 1.059 7 Y CB 1.919 40.651 38.460 0.453 0.000 1.234 7 Y HN 0.511 nan 8.280 nan 0.000 0.461 8 R N 3.900 124.575 120.500 0.293 0.000 2.637 8 R HA 0.536 4.871 4.340 -0.009 0.000 0.291 8 R C -1.631 174.825 176.300 0.260 0.000 0.963 8 R CA -0.560 55.627 56.100 0.144 0.000 0.901 8 R CB 1.428 31.782 30.300 0.089 0.000 1.160 8 R HN 0.895 nan 8.270 nan 0.000 0.457 9 W N 1.900 123.337 121.300 0.229 0.000 3.025 9 W HA 0.409 5.064 4.660 -0.008 0.000 0.343 9 W C -1.880 174.642 176.519 0.005 0.000 1.246 9 W CA -0.896 56.509 57.345 0.101 0.000 1.178 9 W CB 1.148 30.600 29.460 -0.013 0.000 1.463 9 W HN 0.413 nan 8.180 nan 0.000 0.578 10 Q N 1.576 121.631 119.800 0.424 0.000 2.263 10 Q HA 0.495 4.830 4.340 -0.009 0.000 0.266 10 Q C -1.080 175.074 176.000 0.256 0.000 1.002 10 Q CA -0.809 55.129 55.803 0.224 0.000 0.790 10 Q CB 3.307 32.082 28.738 0.061 0.000 1.272 10 Q HN 0.408 nan 8.270 nan 0.000 0.435 11 I N 3.358 124.067 120.570 0.231 0.000 2.354 11 I HA 0.361 4.526 4.170 -0.009 0.000 0.292 11 I C -2.268 173.869 176.117 0.033 0.000 0.989 11 I CA -2.416 58.929 61.300 0.074 0.000 1.188 11 I CB 1.503 39.489 38.000 -0.023 0.000 1.342 11 I HN 0.251 nan 8.210 nan 0.000 0.457 12 P HA 0.119 nan 4.420 nan 0.000 0.268 12 P C -0.672 176.619 177.300 -0.015 0.000 1.204 12 P CA -0.047 63.053 63.100 0.000 0.000 0.768 12 P CB 0.418 32.119 31.700 0.001 0.000 0.842 13 M N 1.665 121.253 119.600 -0.019 0.000 2.444 13 M HA 0.259 4.733 4.480 -0.009 0.000 0.319 13 M C 0.594 176.878 176.300 -0.026 0.000 1.183 13 M CA -0.628 54.655 55.300 -0.028 0.000 1.032 13 M CB 0.403 32.984 32.600 -0.032 0.000 1.569 13 M HN 0.301 nan 8.290 nan 0.000 0.468 23 R N 1.123 121.629 120.500 0.011 0.000 3.090 23 R HA -0.207 4.128 4.340 -0.009 0.000 0.631 23 R C -0.095 176.207 176.300 0.003 0.000 0.534 23 R CA 2.206 58.313 56.100 0.012 0.000 0.927 23 R CB -0.527 29.782 30.300 0.016 0.000 0.610 23 R HN 0.320 nan 8.270 nan 0.000 0.362 24 L N 1.931 123.150 121.223 -0.007 0.000 2.313 24 L HA 0.251 4.585 4.340 -0.009 0.000 0.273 24 L C 0.728 177.584 176.870 -0.023 0.000 1.028 24 L CA -0.301 54.527 54.840 -0.020 0.000 0.871 24 L CB 0.847 42.886 42.059 -0.033 0.000 1.242 24 L HN 0.661 nan 8.230 nan 0.000 0.434 25 K N 0.911 121.299 120.400 -0.019 0.000 2.352 25 K HA 0.164 4.478 4.320 -0.009 0.000 0.194 25 K C 0.261 176.850 176.600 -0.019 0.000 1.038 25 K CA 0.208 56.486 56.287 -0.015 0.000 1.023 25 K CB 0.329 32.825 32.500 -0.006 0.000 0.840 25 K HN 0.502 nan 8.250 nan 0.000 0.519 26 T N -0.900 113.636 114.554 -0.031 0.000 2.906 26 T HA 0.513 4.857 4.350 -0.009 0.000 0.295 26 T C -1.244 173.414 174.700 -0.069 0.000 1.075 26 T CA -1.087 60.991 62.100 -0.037 0.000 1.005 26 T CB 2.350 71.196 68.868 -0.037 0.000 1.136 26 T HN 0.061 nan 8.240 nan 0.000 0.498 27 R N 1.443 121.918 120.500 -0.042 0.000 2.343 27 R HA 0.544 4.879 4.340 -0.009 0.000 0.320 27 R C -1.418 174.811 176.300 -0.119 0.000 0.956 27 R CA -0.454 55.611 56.100 -0.058 0.000 0.836 27 R CB 0.476 30.806 30.300 0.051 0.000 1.151 27 R HN 0.726 nan 8.270 nan 0.000 0.450 28 D N 2.460 122.536 120.400 -0.539 0.000 2.185 28 D HA 0.678 5.312 4.640 -0.009 0.000 0.247 28 D C -0.002 175.320 176.300 -1.630 0.000 1.027 28 D CA -0.277 52.974 54.000 -1.248 0.000 0.861 28 D CB 2.058 41.663 40.800 -1.992 0.000 1.202 28 D HN 0.689 nan 8.370 nan 0.000 0.453 29 G N -0.171 107.374 108.800 -2.091 0.000 2.494 29 G HA2 0.598 4.552 3.960 -0.009 0.000 0.308 29 G HA3 0.598 4.552 3.960 -0.009 0.000 0.308 29 G C -1.886 172.170 174.900 -1.406 0.000 1.263 29 G CA -0.692 43.418 45.100 -1.649 0.000 0.840 29 G HN 0.359 nan 8.290 nan 0.000 0.479 30 L N -1.025 119.764 121.223 -0.723 0.000 2.465 30 L HA 0.653 4.987 4.340 -0.009 0.000 0.257 30 L C -1.692 175.272 176.870 0.156 0.000 0.988 30 L CA -0.951 53.752 54.840 -0.228 0.000 0.827 30 L CB 2.438 44.507 42.059 0.017 0.000 1.397 30 L HN 0.516 nan 8.230 nan 0.000 0.410 31 Y N 0.403 121.015 120.300 0.521 0.000 2.446 31 Y HA 0.685 5.229 4.550 -0.010 0.000 0.345 31 Y C -0.216 175.866 175.900 0.303 0.000 0.984 31 Y CA -1.152 57.254 58.100 0.511 0.000 1.058 31 Y CB 2.170 41.076 38.460 0.743 0.000 1.220 31 Y HN 0.219 nan 8.280 nan 0.000 0.455 32 V N 2.942 123.046 119.914 0.316 0.000 2.483 32 V HA 0.584 4.698 4.120 -0.009 0.000 0.295 32 V C -1.030 174.927 176.094 -0.227 0.000 1.035 32 V CA -0.737 61.588 62.300 0.041 0.000 0.896 32 V CB 1.337 33.154 31.823 -0.011 0.000 0.986 32 V HN 0.966 nan 8.190 nan 0.000 0.447 33 C N 8.153 127.175 119.300 -0.464 0.000 2.316 33 C HA 0.627 5.081 4.460 -0.009 0.000 0.324 33 C C -0.351 174.364 174.990 -0.458 0.000 1.226 33 C CA -0.925 57.580 59.018 -0.856 0.000 1.450 33 C CB -0.884 26.107 27.740 -1.247 0.000 2.123 33 C HN 0.900 nan 8.230 nan 0.000 0.454 34 L N 5.220 126.197 121.223 -0.410 0.000 2.399 34 L HA 0.665 5.000 4.340 -0.009 0.000 0.265 34 L C 0.272 177.058 176.870 -0.139 0.000 1.089 34 L CA -0.387 54.227 54.840 -0.377 0.000 0.802 34 L CB 0.965 42.606 42.059 -0.696 0.000 1.180 34 L HN 0.672 nan 8.230 nan 0.000 0.454 35 R N 1.866 122.419 120.500 0.087 0.000 2.549 35 R HA 0.318 4.652 4.340 -0.009 0.000 0.291 35 R C -1.417 175.044 176.300 0.268 0.000 1.164 35 R CA -0.430 55.755 56.100 0.142 0.000 0.973 35 R CB 1.521 31.871 30.300 0.083 0.000 1.210 35 R HN 0.742 nan 8.270 nan 0.000 0.422 36 E N 3.168 123.506 120.200 0.230 0.000 2.222 36 E HA 0.456 4.800 4.350 -0.009 0.000 0.267 36 E C 0.530 177.188 176.600 0.097 0.000 0.884 36 E CA -0.028 56.476 56.400 0.173 0.000 0.764 36 E CB 1.520 31.346 29.700 0.210 0.000 1.169 36 E HN 0.780 nan 8.360 nan 0.000 0.413 37 G N 3.992 112.825 108.800 0.055 0.000 2.698 37 G HA2 -0.475 3.479 3.960 -0.009 0.000 0.346 37 G HA3 -0.475 3.479 3.960 -0.009 0.000 0.346 37 G C 0.861 175.791 174.900 0.049 0.000 1.287 37 G CA 1.090 46.214 45.100 0.040 0.000 0.990 37 G HN 0.778 nan 8.290 nan 0.000 0.545 38 E N 0.829 121.056 120.200 0.046 0.000 2.318 38 E HA 0.100 4.444 4.350 -0.009 0.000 0.193 38 E C 1.440 178.075 176.600 0.058 0.000 0.998 38 E CA 0.092 56.520 56.400 0.047 0.000 0.859 38 E CB 0.206 29.928 29.700 0.036 0.000 0.812 38 E HN 0.534 nan 8.360 nan 0.000 0.492 39 R N 1.082 121.619 120.500 0.063 0.000 2.774 39 R HA 0.244 4.579 4.340 -0.009 0.000 0.269 39 R C -0.101 176.249 176.300 0.083 0.000 1.068 39 R CA 0.360 56.502 56.100 0.069 0.000 1.180 39 R CB 0.512 30.853 30.300 0.068 0.000 1.077 39 R HN 0.146 nan 8.270 nan 0.000 0.513 40 E N -0.427 119.824 120.200 0.085 0.000 2.335 40 E HA 0.461 4.805 4.350 -0.009 0.000 0.280 40 E C -1.499 175.159 176.600 0.097 0.000 0.918 40 E CA -0.711 55.744 56.400 0.091 0.000 0.765 40 E CB 1.842 31.631 29.700 0.150 0.000 1.218 40 E HN 0.727 nan 8.360 nan 0.000 0.425 41 G N 2.886 111.699 108.800 0.021 0.000 2.643 41 G HA2 0.572 4.526 3.960 -0.009 0.000 0.305 41 G HA3 0.572 4.526 3.960 -0.009 0.000 0.305 41 G C -1.829 173.047 174.900 -0.040 0.000 1.387 41 G CA -0.565 44.553 45.100 0.029 0.000 0.982 41 G HN 0.329 nan 8.290 nan 0.000 0.501 42 W N 0.473 121.735 121.300 -0.064 0.000 2.719 42 W HA 0.789 5.445 4.660 -0.007 0.000 0.352 42 W C 0.376 176.848 176.519 -0.078 0.000 1.085 42 W CA -0.418 56.892 57.345 -0.059 0.000 1.187 42 W CB 2.874 32.276 29.460 -0.098 0.000 1.417 42 W HN 0.852 nan 8.180 nan 0.000 0.557 43 G N 0.633 109.565 108.800 0.221 0.000 2.732 43 G HA2 0.475 4.429 3.960 -0.009 0.000 0.296 43 G HA3 0.475 4.429 3.960 -0.009 0.000 0.296 43 G C -2.166 172.895 174.900 0.270 0.000 1.448 43 G CA -0.861 44.292 45.100 0.089 0.000 0.911 43 G HN 0.388 nan 8.290 nan 0.000 0.528 44 E N 0.336 120.688 120.200 0.253 0.000 2.183 44 E HA 0.626 4.971 4.350 -0.009 0.000 0.271 44 E C -1.132 175.646 176.600 0.296 0.000 0.919 44 E CA -0.786 55.889 56.400 0.458 0.000 0.781 44 E CB 1.515 31.547 29.700 0.552 0.000 1.140 44 E HN 0.213 nan 8.360 nan 0.000 0.402 45 I N 3.776 124.501 120.570 0.259 0.000 2.464 45 I HA 0.221 4.385 4.170 -0.009 0.000 0.277 45 I C -0.951 175.228 176.117 0.104 0.000 1.040 45 I CA -0.044 61.354 61.300 0.163 0.000 1.153 45 I CB 1.733 39.795 38.000 0.104 0.000 1.274 45 I HN 0.353 nan 8.210 nan 0.000 0.469 46 S N 6.621 122.385 115.700 0.107 0.000 2.279 46 S HA 0.426 4.891 4.470 -0.009 0.000 0.176 46 S C -2.556 172.041 174.600 -0.006 0.000 1.554 46 S CA -1.008 57.186 58.200 -0.010 0.000 1.242 46 S CB 0.605 63.845 63.200 0.066 0.000 1.163 46 S HN 0.207 nan 8.310 nan 0.000 0.449 47 P HA 0.269 nan 4.420 nan 0.000 0.271 47 P C -0.756 176.529 177.300 -0.024 0.000 1.218 47 P CA -0.700 62.409 63.100 0.015 0.000 0.780 47 P CB 0.512 32.243 31.700 0.052 0.000 0.901 48 L N 5.083 126.303 121.223 -0.005 0.000 2.276 48 L HA 0.489 4.823 4.340 -0.009 0.000 0.286 48 L C -2.504 174.402 176.870 0.060 0.000 1.024 48 L CA -2.744 52.073 54.840 -0.037 0.000 0.826 48 L CB 0.772 42.750 42.059 -0.135 0.000 1.211 48 L HN 0.197 nan 8.230 nan 0.000 0.422 49 P HA 0.231 nan 4.420 nan 0.000 0.261 49 P C 0.692 178.123 177.300 0.219 0.000 1.183 49 P CA 0.871 64.025 63.100 0.090 0.000 0.761 49 P CB 0.671 32.395 31.700 0.038 0.000 0.785 50 G N 1.376 110.289 108.800 0.188 0.000 2.195 50 G HA2 -0.313 3.642 3.960 -0.009 0.000 0.246 50 G HA3 -0.313 3.642 3.960 -0.009 0.000 0.246 50 G C 0.490 175.399 174.900 0.017 0.000 0.984 50 G CA -0.006 45.182 45.100 0.147 0.000 0.633 50 G HN 0.493 nan 8.290 nan 0.000 0.525 51 F N 0.481 120.411 119.950 -0.032 0.000 2.455 51 F HA 0.397 4.918 4.527 -0.010 0.000 0.278 51 F C 1.532 177.310 175.800 -0.036 0.000 0.887 51 F CA 0.406 58.383 58.000 -0.039 0.000 1.104 51 F CB 0.362 39.335 39.000 -0.045 0.000 0.949 51 F HN 0.086 nan 8.300 nan 0.000 0.750 52 S N 1.758 117.567 115.700 0.183 0.000 2.548 52 S HA 0.082 4.546 4.470 -0.009 0.000 0.277 52 S C 0.858 175.491 174.600 0.055 0.000 1.315 52 S CA -0.451 57.802 58.200 0.089 0.000 1.050 52 S CB 1.349 64.591 63.200 0.070 0.000 0.918 52 S HN 0.218 nan 8.310 nan 0.000 0.497 53 Q N 1.573 121.392 119.800 0.032 0.000 1.993 53 Q HA -0.117 4.218 4.340 -0.009 0.000 0.202 53 Q C 0.902 176.919 176.000 0.028 0.000 0.984 53 Q CA 0.915 56.730 55.803 0.019 0.000 0.837 53 Q CB -0.308 28.435 28.738 0.009 0.000 0.902 53 Q HN 0.789 nan 8.270 nan 0.000 0.423 54 E N 2.293 122.513 120.200 0.033 0.000 2.408 54 E HA 0.027 4.372 4.350 -0.009 0.000 0.259 54 E C -0.052 176.581 176.600 0.055 0.000 1.110 54 E CA 0.227 56.651 56.400 0.039 0.000 0.929 54 E CB 0.640 30.363 29.700 0.039 0.000 0.971 54 E HN 0.117 nan 8.360 nan 0.000 0.438 55 T N -1.209 113.382 114.554 0.061 0.000 2.912 55 T HA 0.146 4.491 4.350 -0.009 0.000 0.280 55 T C 0.674 175.463 174.700 0.147 0.000 0.989 55 T CA -0.699 61.456 62.100 0.093 0.000 0.995 55 T CB 0.699 69.612 68.868 0.076 0.000 1.077 55 T HN 0.670 nan 8.240 nan 0.000 0.531 56 W N 1.421 122.690 121.300 -0.051 0.000 2.318 56 W HA -0.090 4.566 4.660 -0.007 0.000 0.313 56 W C 1.819 178.293 176.519 -0.076 0.000 1.221 56 W CA 1.860 59.155 57.345 -0.084 0.000 1.266 56 W CB -0.864 28.530 29.460 -0.109 0.000 1.150 56 W HN 0.927 nan 8.180 nan 0.000 0.496 57 E N -0.198 119.964 120.200 -0.064 0.000 2.107 57 E HA -0.154 4.190 4.350 -0.009 0.000 0.191 57 E C 1.971 178.501 176.600 -0.117 0.000 0.982 57 E CA 1.653 57.913 56.400 -0.234 0.000 0.809 57 E CB -0.501 29.083 29.700 -0.193 0.000 0.756 57 E HN 0.363 nan 8.360 nan 0.000 0.459 58 E N 0.509 120.687 120.200 -0.037 0.000 2.085 58 E HA -0.213 4.131 4.350 -0.009 0.000 0.194 58 E C 2.044 178.641 176.600 -0.004 0.000 0.994 58 E CA 1.040 57.432 56.400 -0.013 0.000 0.801 58 E CB -0.170 29.537 29.700 0.011 0.000 0.743 58 E HN 0.289 nan 8.360 nan 0.000 0.453 59 A N 1.133 123.964 122.820 0.019 0.000 1.883 59 A HA -0.314 4.000 4.320 -0.009 0.000 0.217 59 A C 2.129 179.717 177.584 0.007 0.000 1.186 59 A CA 1.812 53.872 52.037 0.038 0.000 0.624 59 A CB -0.626 18.433 19.000 0.098 0.000 0.822 59 A HN 0.247 nan 8.150 nan 0.000 0.444 60 Q N -0.256 119.510 119.800 -0.057 0.000 2.014 60 Q HA -0.196 4.138 4.340 -0.009 0.000 0.207 60 Q C 2.376 178.344 176.000 -0.053 0.000 0.993 60 Q CA 2.228 57.972 55.803 -0.099 0.000 0.850 60 Q CB -0.217 28.371 28.738 -0.249 0.000 0.916 60 Q HN 0.620 nan 8.270 nan 0.000 0.417 61 S N -0.351 115.315 115.700 -0.056 0.000 2.365 61 S HA -0.164 4.300 4.470 -0.009 0.000 0.225 61 S C 1.930 176.541 174.600 0.018 0.000 1.039 61 S CA 1.537 59.722 58.200 -0.026 0.000 1.033 61 S CB -0.316 62.867 63.200 -0.028 0.000 0.887 61 S HN 0.281 nan 8.310 nan 0.000 0.447 62 V N 1.488 121.422 119.914 0.033 0.000 2.548 62 V HA -0.068 4.047 4.120 -0.009 0.000 0.249 62 V C 2.139 178.308 176.094 0.124 0.000 1.055 62 V CA 1.258 63.602 62.300 0.073 0.000 1.065 62 V CB -0.573 31.285 31.823 0.058 0.000 0.681 62 V HN 0.349 nan 8.190 nan 0.000 0.462 63 L N -0.203 121.076 121.223 0.093 0.000 2.023 63 L HA -0.055 4.280 4.340 -0.009 0.000 0.205 63 L C 2.189 179.168 176.870 0.181 0.000 1.073 63 L CA 1.813 56.733 54.840 0.132 0.000 0.745 63 L CB -0.565 41.536 42.059 0.070 0.000 0.900 63 L HN 0.172 nan 8.230 nan 0.000 0.435 64 L N -0.198 121.080 121.223 0.092 0.000 2.042 64 L HA -0.223 4.111 4.340 -0.009 0.000 0.210 64 L C 2.674 179.590 176.870 0.077 0.000 1.076 64 L CA 1.436 56.314 54.840 0.063 0.000 0.749 64 L CB -0.966 41.098 42.059 0.009 0.000 0.893 64 L HN 0.415 nan 8.230 nan 0.000 0.432 65 A N -0.994 121.879 122.820 0.088 0.000 1.898 65 A HA -0.257 4.057 4.320 -0.009 0.000 0.216 65 A C 2.005 179.651 177.584 0.102 0.000 1.181 65 A CA 1.339 53.421 52.037 0.074 0.000 0.620 65 A CB -1.005 18.038 19.000 0.071 0.000 0.819 65 A HN 0.633 nan 8.150 nan 0.000 0.442 66 W N 0.599 121.916 121.300 0.029 0.000 2.381 66 W HA -0.147 4.510 4.660 -0.006 0.000 0.301 66 W C 1.843 178.417 176.519 0.093 0.000 1.205 66 W CA 2.020 59.396 57.345 0.052 0.000 1.285 66 W CB -0.286 29.196 29.460 0.037 0.000 1.133 66 W HN 0.088 nan 8.180 nan 0.000 0.521 67 V N 1.771 121.747 119.914 0.103 0.000 2.287 67 V HA -0.394 3.720 4.120 -0.009 0.000 0.248 67 V C 2.315 178.332 176.094 -0.129 0.000 1.053 67 V CA 2.411 64.663 62.300 -0.079 0.000 1.027 67 V CB -1.143 30.752 31.823 0.120 0.000 0.646 67 V HN 0.306 nan 8.190 nan 0.000 0.447 68 N N 0.417 119.070 118.700 -0.077 0.000 2.104 68 N HA -0.194 4.541 4.740 -0.009 0.000 0.190 68 N C 1.655 177.075 175.510 -0.151 0.000 1.024 68 N CA 1.573 54.572 53.050 -0.084 0.000 0.853 68 N CB -0.263 38.193 38.487 -0.051 0.000 1.008 68 N HN 0.533 nan 8.380 nan 0.000 0.424 69 N N 0.604 119.175 118.700 -0.215 0.000 2.069 69 N HA -0.191 4.544 4.740 -0.009 0.000 0.191 69 N C 1.462 176.772 175.510 -0.333 0.000 1.031 69 N CA 0.849 53.745 53.050 -0.257 0.000 0.852 69 N CB -0.795 37.527 38.487 -0.275 0.000 1.018 69 N HN 0.431 nan 8.380 nan 0.000 0.423 70 W N 2.276 123.119 121.300 -0.762 0.000 2.338 70 W HA -0.061 4.593 4.660 -0.010 0.000 0.304 70 W C 1.930 178.238 176.519 -0.351 0.000 1.212 70 W CA 1.105 58.033 57.345 -0.695 0.000 1.264 70 W CB -0.493 28.298 29.460 -1.115 0.000 1.142 70 W HN -0.005 nan 8.180 nan 0.000 0.512 71 L N 0.545 121.579 121.223 -0.315 0.000 2.187 71 L HA -0.164 4.170 4.340 -0.009 0.000 0.213 71 L C 2.444 179.100 176.870 -0.357 0.000 1.100 71 L CA 1.268 55.879 54.840 -0.382 0.000 0.765 71 L CB -1.214 40.752 42.059 -0.155 0.000 0.904 71 L HN 0.129 nan 8.230 nan 0.000 0.437 72 A N -0.743 121.907 122.820 -0.282 0.000 2.251 72 A HA 0.353 4.668 4.320 -0.009 0.000 0.209 72 A C 1.781 179.228 177.584 -0.228 0.000 1.187 72 A CA 0.723 52.632 52.037 -0.215 0.000 0.823 72 A CB -0.247 18.662 19.000 -0.153 0.000 0.846 72 A HN 0.517 nan 8.150 nan 0.000 0.486 73 G N 0.335 108.940 108.800 -0.324 0.000 2.195 73 G HA2 -0.253 3.701 3.960 -0.009 0.000 0.246 73 G HA3 -0.253 3.701 3.960 -0.009 0.000 0.246 73 G C -0.206 174.588 174.900 -0.176 0.000 0.984 73 G CA 0.222 45.152 45.100 -0.283 0.000 0.633 73 G HN 0.804 nan 8.290 nan 0.000 0.525 74 D N -0.106 120.208 120.400 -0.144 0.000 2.313 74 D HA 0.540 5.175 4.640 -0.009 0.000 0.247 74 D C 1.246 177.550 176.300 0.005 0.000 1.094 74 D CA -0.330 53.636 54.000 -0.057 0.000 0.925 74 D CB 0.957 41.731 40.800 -0.043 0.000 1.188 74 D HN 0.852 nan 8.370 nan 0.000 0.430 75 C N -0.631 118.725 119.300 0.094 0.000 3.359 75 C HA 0.370 4.824 4.460 -0.009 0.000 0.258 75 C C 0.366 175.514 174.990 0.262 0.000 1.840 75 C CA -0.905 58.245 59.018 0.218 0.000 1.746 75 C CB -1.476 26.377 27.740 0.189 0.000 3.306 75 C HN 0.706 nan 8.230 nan 0.000 0.485 76 E N 1.700 122.037 120.200 0.227 0.000 2.414 76 E HA 0.333 4.678 4.350 -0.009 0.000 0.263 76 E C -0.582 176.251 176.600 0.388 0.000 1.000 76 E CA 0.105 56.646 56.400 0.234 0.000 0.914 76 E CB 0.554 30.360 29.700 0.176 0.000 0.948 76 E HN 0.637 nan 8.360 nan 0.000 0.444 77 L N 5.897 127.266 121.223 0.244 0.000 2.360 77 L HA 0.429 4.763 4.340 -0.009 0.000 0.271 77 L C -1.955 174.950 176.870 0.058 0.000 1.057 77 L CA -2.318 52.585 54.840 0.105 0.000 0.803 77 L CB 1.156 43.199 42.059 -0.028 0.000 1.207 77 L HN 0.529 nan 8.230 nan 0.000 0.445 78 P HA 0.101 nan 4.420 nan 0.000 0.271 78 P C -0.438 176.857 177.300 -0.009 0.000 1.218 78 P CA -0.298 62.807 63.100 0.008 0.000 0.780 78 P CB 0.736 32.426 31.700 -0.017 0.000 0.901 79 Q N 0.932 120.745 119.800 0.021 0.000 2.230 79 Q HA 0.005 4.339 4.340 -0.009 0.000 0.202 79 Q C 1.046 177.055 176.000 0.015 0.000 0.963 79 Q CA 0.598 56.414 55.803 0.021 0.000 0.866 79 Q CB -0.131 28.623 28.738 0.028 0.000 0.931 79 Q HN 0.507 nan 8.270 nan 0.000 0.452 80 M N 2.404 122.012 119.600 0.014 0.000 2.408 80 M HA -0.035 4.439 4.480 -0.009 0.000 0.363 80 M C -2.006 174.305 176.300 0.018 0.000 1.636 80 M CA -1.189 54.121 55.300 0.017 0.000 1.029 80 M CB 0.704 33.315 32.600 0.019 0.000 2.068 80 M HN -0.133 nan 8.290 nan 0.000 0.466 81 P HA -0.221 nan 4.420 nan 0.000 0.215 81 P C 1.271 178.618 177.300 0.079 0.000 1.163 81 P CA 2.341 65.465 63.100 0.040 0.000 0.894 81 P CB -0.060 31.654 31.700 0.023 0.000 0.791 82 S N -1.481 114.264 115.700 0.076 0.000 2.368 82 S HA -0.109 4.356 4.470 -0.009 0.000 0.224 82 S C 2.029 176.700 174.600 0.119 0.000 1.029 82 S CA 1.524 59.797 58.200 0.122 0.000 0.988 82 S CB -1.672 61.585 63.200 0.094 0.000 0.838 82 S HN -0.042 nan 8.310 nan 0.000 0.462 83 V N 2.537 122.474 119.914 0.038 0.000 2.323 83 V HA 0.006 4.121 4.120 -0.009 0.000 0.244 83 V C 3.137 179.149 176.094 -0.136 0.000 1.041 83 V CA 1.427 63.698 62.300 -0.050 0.000 1.025 83 V CB -1.453 30.334 31.823 -0.061 0.000 0.656 83 V HN 0.638 nan 8.190 nan 0.000 0.451 84 A N -0.432 122.337 122.820 -0.086 0.000 1.940 84 A HA -0.260 4.054 4.320 -0.009 0.000 0.219 84 A C 2.131 179.690 177.584 -0.042 0.000 1.176 84 A CA 2.155 54.126 52.037 -0.109 0.000 0.631 84 A CB -0.709 18.275 19.000 -0.026 0.000 0.814 84 A HN 0.565 nan 8.150 nan 0.000 0.446 85 F N 0.583 120.486 119.950 -0.079 0.000 2.039 85 F HA -0.001 4.521 4.527 -0.010 0.000 0.294 85 F C 2.406 178.183 175.800 -0.039 0.000 1.130 85 F CA 1.749 59.727 58.000 -0.037 0.000 1.189 85 F CB -0.572 38.428 39.000 -0.001 0.000 0.983 85 F HN 0.239 nan 8.300 nan 0.000 0.471 86 G N -0.033 108.574 108.800 -0.323 0.000 2.421 86 G HA2 -0.227 3.727 3.960 -0.009 0.000 0.216 86 G HA3 -0.227 3.727 3.960 -0.009 0.000 0.216 86 G C 1.683 176.386 174.900 -0.328 0.000 1.171 86 G CA 1.053 45.937 45.100 -0.359 0.000 0.775 86 G HN 0.343 nan 8.290 nan 0.000 0.543 87 V N 1.947 121.648 119.914 -0.356 0.000 2.380 87 V HA -0.244 3.871 4.120 -0.009 0.000 0.251 87 V C 3.272 179.116 176.094 -0.416 0.000 1.063 87 V CA 2.543 64.523 62.300 -0.533 0.000 1.055 87 V CB -0.502 30.699 31.823 -1.037 0.000 0.657 87 V HN 0.633 nan 8.190 nan 0.000 0.455 88 S N -2.012 113.492 115.700 -0.327 0.000 2.436 88 S HA -0.162 4.303 4.470 -0.009 0.000 0.228 88 S C 1.936 176.435 174.600 -0.169 0.000 1.014 88 S CA 1.234 59.320 58.200 -0.190 0.000 0.950 88 S CB -0.786 62.357 63.200 -0.094 0.000 0.784 88 S HN 0.573 nan 8.310 nan 0.000 0.504 89 C N 2.072 121.202 119.300 -0.283 0.000 2.453 89 C HA 0.238 4.692 4.460 -0.009 0.000 0.277 89 C C 3.330 178.245 174.990 -0.125 0.000 1.262 89 C CA 0.552 59.438 59.018 -0.220 0.000 1.718 89 C CB -1.613 25.922 27.740 -0.342 0.000 2.031 89 C HN 0.756 nan 8.230 nan 0.000 0.480 90 A N 0.559 123.293 122.820 -0.144 0.000 1.883 90 A HA -0.148 4.166 4.320 -0.009 0.000 0.217 90 A C 2.119 179.642 177.584 -0.102 0.000 1.186 90 A CA 1.605 53.575 52.037 -0.112 0.000 0.624 90 A CB -0.741 18.153 19.000 -0.178 0.000 0.822 90 A HN 0.607 nan 8.150 nan 0.000 0.444 91 L N -0.881 120.275 121.223 -0.112 0.000 2.042 91 L HA -0.240 4.094 4.340 -0.009 0.000 0.210 91 L C 3.081 179.954 176.870 0.006 0.000 1.076 91 L CA 1.168 55.990 54.840 -0.029 0.000 0.749 91 L CB -0.495 41.568 42.059 0.007 0.000 0.893 91 L HN 0.471 nan 8.230 nan 0.000 0.432 92 A N -0.462 122.348 122.820 -0.016 0.000 1.930 92 A HA -0.177 4.137 4.320 -0.009 0.000 0.217 92 A C 2.160 179.719 177.584 -0.041 0.000 1.175 92 A CA 1.311 53.336 52.037 -0.019 0.000 0.627 92 A CB -0.332 18.653 19.000 -0.024 0.000 0.815 92 A HN 0.431 nan 8.150 nan 0.000 0.443 93 E N -0.125 120.055 120.200 -0.032 0.000 2.106 93 E HA -0.121 4.223 4.350 -0.009 0.000 0.192 93 E C 1.913 178.519 176.600 0.009 0.000 0.984 93 E CA 0.759 57.151 56.400 -0.014 0.000 0.806 93 E CB -0.280 29.433 29.700 0.023 0.000 0.750 93 E HN 0.598 nan 8.360 nan 0.000 0.458 94 L N 0.829 122.065 121.223 0.020 0.000 2.043 94 L HA -0.187 4.148 4.340 -0.009 0.000 0.212 94 L C 2.587 179.486 176.870 0.048 0.000 1.075 94 L CA 1.812 56.682 54.840 0.051 0.000 0.752 94 L CB -0.546 41.564 42.059 0.086 0.000 0.891 94 L HN 0.312 nan 8.230 nan 0.000 0.432 95 T N -5.115 109.458 114.554 0.033 0.000 3.144 95 T HA 0.045 4.390 4.350 -0.009 0.000 0.249 95 T C 0.729 175.423 174.700 -0.010 0.000 1.089 95 T CA 0.395 62.510 62.100 0.025 0.000 0.989 95 T CB 0.006 68.895 68.868 0.034 0.000 0.992 95 T HN 0.396 nan 8.240 nan 0.000 0.540 96 D N -0.266 120.117 120.400 -0.029 0.000 2.945 96 D HA -0.176 4.459 4.640 -0.009 0.000 0.225 96 D C 0.757 176.988 176.300 -0.115 0.000 1.158 96 D CA 1.412 55.378 54.000 -0.058 0.000 0.805 96 D CB -1.556 39.224 40.800 -0.034 0.000 1.098 96 D HN 0.448 nan 8.370 nan 0.000 0.426 97 T N -0.806 113.657 114.554 -0.152 0.000 3.010 97 T HA 0.087 4.431 4.350 -0.009 0.000 0.252 97 T C 0.608 174.973 174.700 -0.558 0.000 1.047 97 T CA 0.210 62.156 62.100 -0.257 0.000 1.140 97 T CB 0.067 68.838 68.868 -0.163 0.000 0.885 97 T HN 0.217 nan 8.240 nan 0.000 0.464 98 L N 4.390 125.327 121.223 -0.477 0.000 2.485 98 L HA 0.306 4.640 4.340 -0.009 0.000 0.279 98 L C -2.483 174.147 176.870 -0.400 0.000 1.124 98 L CA -2.388 52.122 54.840 -0.549 0.000 0.888 98 L CB -0.005 41.903 42.059 -0.251 0.000 1.217 98 L HN -0.080 nan 8.230 nan 0.000 0.464 99 P HA 0.090 nan 4.420 nan 0.000 0.272 99 P C -0.166 177.039 177.300 -0.159 0.000 1.230 99 P CA -0.306 62.632 63.100 -0.271 0.000 0.788 99 P CB 0.626 32.172 31.700 -0.257 0.000 0.949 100 Q N 1.988 121.726 119.800 -0.105 0.000 2.230 100 Q HA 0.046 4.381 4.340 -0.009 0.000 0.202 100 Q C 0.437 176.408 176.000 -0.049 0.000 0.963 100 Q CA 0.626 56.389 55.803 -0.065 0.000 0.866 100 Q CB -0.951 27.758 28.738 -0.048 0.000 0.931 100 Q HN 0.573 nan 8.270 nan 0.000 0.452 101 A N 0.028 122.816 122.820 -0.053 0.000 2.555 101 A HA 0.446 4.760 4.320 -0.009 0.000 0.233 101 A C -0.126 177.398 177.584 -0.099 0.000 1.060 101 A CA 0.689 52.698 52.037 -0.046 0.000 0.759 101 A CB -0.238 18.745 19.000 -0.028 0.000 0.995 101 A HN 0.525 nan 8.150 nan 0.000 0.506 102 A N 1.910 124.616 122.820 -0.190 0.000 2.574 102 A HA 0.604 4.918 4.320 -0.009 0.000 0.297 102 A C -0.673 176.557 177.584 -0.590 0.000 1.062 102 A CA -0.696 51.062 52.037 -0.466 0.000 0.686 102 A CB 1.051 19.558 19.000 -0.821 0.000 1.285 102 A HN 0.792 nan 8.150 nan 0.000 0.403 103 N N 1.102 119.504 118.700 -0.496 0.000 2.558 103 N HA 0.351 5.085 4.740 -0.009 0.000 0.233 103 N C -0.716 174.591 175.510 -0.339 0.000 1.038 103 N CA -0.066 52.803 53.050 -0.302 0.000 0.934 103 N CB -0.001 38.431 38.487 -0.090 0.000 1.175 103 N HN 0.580 nan 8.380 nan 0.000 0.512 104 Y N 1.097 121.353 120.300 -0.074 0.000 2.468 104 Y HA 0.274 4.819 4.550 -0.010 0.000 0.268 104 Y C 0.798 176.776 175.900 0.129 0.000 1.177 104 Y CA -0.407 57.641 58.100 -0.087 0.000 1.265 104 Y CB 0.300 38.509 38.460 -0.418 0.000 1.103 104 Y HN 0.124 nan 8.280 nan 0.000 0.522 105 R N 1.374 121.987 120.500 0.188 0.000 2.590 105 R HA 0.432 4.766 4.340 -0.009 0.000 0.274 105 R C -0.099 176.311 176.300 0.183 0.000 1.061 105 R CA -0.045 56.152 56.100 0.161 0.000 1.081 105 R CB 0.489 30.846 30.300 0.094 0.000 0.984 105 R HN 0.136 nan 8.270 nan 0.000 0.448 106 A N 1.679 124.594 122.820 0.158 0.000 2.317 106 A HA 0.606 4.920 4.320 -0.009 0.000 0.327 106 A C -0.431 177.202 177.584 0.082 0.000 1.178 106 A CA -0.688 51.429 52.037 0.134 0.000 0.817 106 A CB 1.511 20.589 19.000 0.129 0.000 1.189 106 A HN 0.763 nan 8.150 nan 0.000 0.489 107 A N 4.409 127.268 122.820 0.065 0.000 2.621 107 A HA 0.638 4.952 4.320 -0.009 0.000 0.329 107 A C -2.590 175.009 177.584 0.025 0.000 1.458 107 A CA -1.473 50.587 52.037 0.039 0.000 1.052 107 A CB -0.558 18.461 19.000 0.031 0.000 1.142 107 A HN 0.547 nan 8.150 nan 0.000 0.523 108 P HA 0.055 nan 4.420 nan 0.000 0.265 108 P C 0.150 177.451 177.300 0.001 0.000 1.193 108 P CA -0.046 63.061 63.100 0.011 0.000 0.765 108 P CB 0.569 32.277 31.700 0.014 0.000 0.823 109 L N 3.051 124.269 121.223 -0.008 0.000 2.466 109 L HA 0.332 4.666 4.340 -0.009 0.000 0.257 109 L C 0.388 177.255 176.870 -0.006 0.000 1.189 109 L CA 0.317 55.152 54.840 -0.009 0.000 0.813 109 L CB 0.779 42.826 42.059 -0.020 0.000 1.118 109 L HN 0.647 nan 8.230 nan 0.000 0.471 110 C N -0.029 119.271 119.300 -0.001 0.000 2.756 110 C HA 0.271 4.725 4.460 -0.009 0.000 0.304 110 C C -1.556 173.439 174.990 0.008 0.000 4.671 110 C CA -0.249 58.769 59.018 -0.001 0.000 1.273 110 C CB 0.078 27.816 27.740 -0.004 0.000 5.053 110 C HN 1.108 nan 8.230 nan 0.000 0.369 126 G N -0.292 108.518 108.800 0.017 0.000 3.310 126 G HA2 0.350 4.305 3.960 -0.009 0.000 0.176 126 G HA3 0.350 4.305 3.960 -0.009 0.000 0.176 126 G C -0.574 174.332 174.900 0.011 0.000 1.307 126 G CA -0.165 44.942 45.100 0.011 0.000 0.935 126 G HN 0.134 nan 8.290 nan 0.000 0.628 127 E N 1.245 121.444 120.200 -0.000 0.000 2.493 127 E HA 0.044 4.388 4.350 -0.009 0.000 0.255 127 E C -0.250 176.359 176.600 0.015 0.000 0.999 127 E CA 0.416 56.811 56.400 -0.010 0.000 0.934 127 E CB 0.409 30.073 29.700 -0.061 0.000 0.940 127 E HN 0.158 nan 8.360 nan 0.000 0.473 128 K N 2.590 123.017 120.400 0.045 0.000 2.312 128 K HA 0.271 4.586 4.320 -0.009 0.000 0.287 128 K C -0.660 175.983 176.600 0.070 0.000 1.062 128 K CA -0.328 55.990 56.287 0.051 0.000 0.934 128 K CB 1.044 33.572 32.500 0.047 0.000 1.027 128 K HN 0.184 nan 8.250 nan 0.000 0.478 129 V N 1.619 121.560 119.914 0.045 0.000 2.733 129 V HA 0.663 4.777 4.120 -0.009 0.000 0.306 129 V C -0.703 175.403 176.094 0.021 0.000 1.084 129 V CA -0.993 61.330 62.300 0.039 0.000 0.905 129 V CB 1.734 33.570 31.823 0.021 0.000 1.010 129 V HN 0.906 nan 8.190 nan 0.000 0.424 130 A N 3.557 126.380 122.820 0.006 0.000 2.485 130 A HA 0.947 5.261 4.320 -0.009 0.000 0.292 130 A C -1.008 176.562 177.584 -0.023 0.000 1.147 130 A CA -0.810 51.226 52.037 -0.002 0.000 0.750 130 A CB 2.309 21.309 19.000 0.000 0.000 1.331 130 A HN 0.705 nan 8.150 nan 0.000 0.419 131 K N 0.677 121.068 120.400 -0.015 0.000 2.397 131 K HA 0.655 4.970 4.320 -0.009 0.000 0.253 131 K C -1.842 174.755 176.600 -0.005 0.000 0.932 131 K CA -0.411 55.862 56.287 -0.022 0.000 0.795 131 K CB 1.937 34.431 32.500 -0.010 0.000 1.159 131 K HN 0.533 nan 8.250 nan 0.000 0.424 132 V N 3.237 123.152 119.914 0.001 0.000 2.531 132 V HA 0.376 4.491 4.120 -0.009 0.000 0.301 132 V C -0.514 175.591 176.094 0.019 0.000 1.034 132 V CA -1.111 61.204 62.300 0.025 0.000 0.865 132 V CB 1.527 33.386 31.823 0.060 0.000 0.995 132 V HN 0.684 nan 8.190 nan 0.000 0.424 133 K N 3.326 123.735 120.400 0.016 0.000 2.316 133 K HA 0.558 4.872 4.320 -0.009 0.000 0.289 133 K C -0.215 176.391 176.600 0.011 0.000 1.070 133 K CA -0.214 56.073 56.287 -0.000 0.000 0.928 133 K CB 1.525 34.026 32.500 0.001 0.000 1.039 133 K HN 0.718 nan 8.250 nan 0.000 0.480 134 V N -0.799 119.093 119.914 -0.038 0.000 3.096 134 V HA 0.819 4.933 4.120 -0.009 0.000 0.319 134 V C 0.770 176.783 176.094 -0.136 0.000 1.103 134 V CA -0.061 62.228 62.300 -0.018 0.000 1.016 134 V CB 1.305 33.117 31.823 -0.019 0.000 1.090 134 V HN 0.930 nan 8.190 nan 0.000 0.449 135 G N 0.386 109.181 108.800 -0.009 0.000 2.141 135 G HA2 -0.198 3.756 3.960 -0.009 0.000 0.242 135 G HA3 -0.198 3.756 3.960 -0.009 0.000 0.242 135 G C 0.117 175.012 174.900 -0.007 0.000 0.982 135 G CA 0.510 45.533 45.100 -0.129 0.000 0.662 135 G HN 1.043 nan 8.290 nan 0.000 0.527 136 L N -1.777 119.500 121.223 0.090 0.000 2.168 136 L HA 0.515 4.850 4.340 -0.009 0.000 0.203 136 L C 1.658 178.682 176.870 0.256 0.000 1.078 136 L CA 1.589 56.504 54.840 0.124 0.000 0.780 136 L CB -0.105 42.030 42.059 0.127 0.000 0.939 136 L HN 0.470 nan 8.230 nan 0.000 0.451 137 Y N -1.910 118.437 120.300 0.079 0.000 3.334 137 Y HA 0.317 4.861 4.550 -0.010 0.000 0.288 137 Y C 0.087 176.069 175.900 0.136 0.000 1.847 137 Y CA -1.010 57.143 58.100 0.088 0.000 0.836 137 Y CB 0.194 38.688 38.460 0.057 0.000 1.351 137 Y HN -0.330 nan 8.280 nan 0.000 0.673 138 E N 0.862 121.249 120.200 0.312 0.000 2.465 138 E HA 0.109 4.453 4.350 -0.009 0.000 0.260 138 E C 0.569 177.280 176.600 0.185 0.000 0.980 138 E CA 0.711 57.222 56.400 0.185 0.000 0.927 138 E CB 1.238 31.027 29.700 0.148 0.000 0.934 138 E HN 0.594 nan 8.360 nan 0.000 0.459 139 A N 4.198 127.100 122.820 0.136 0.000 1.940 139 A HA -0.195 4.119 4.320 -0.009 0.000 0.219 139 A C 2.105 179.773 177.584 0.139 0.000 1.176 139 A CA 1.683 53.779 52.037 0.099 0.000 0.631 139 A CB -0.550 18.302 19.000 -0.247 0.000 0.814 139 A HN 0.531 nan 8.150 nan 0.000 0.446 140 V N 0.041 119.966 119.914 0.017 0.000 2.282 140 V HA -0.358 3.756 4.120 -0.009 0.000 0.249 140 V C 2.654 178.583 176.094 -0.275 0.000 1.057 140 V CA 2.537 64.692 62.300 -0.242 0.000 1.032 140 V CB -0.862 30.816 31.823 -0.242 0.000 0.645 140 V HN 0.598 nan 8.190 nan 0.000 0.447 141 R N 0.058 120.515 120.500 -0.072 0.000 2.105 141 R HA -0.154 4.181 4.340 -0.009 0.000 0.239 141 R C 2.053 178.387 176.300 0.057 0.000 1.135 141 R CA 1.775 57.861 56.100 -0.023 0.000 0.967 141 R CB -0.493 29.836 30.300 0.049 0.000 0.861 141 R HN 0.576 nan 8.270 nan 0.000 0.442 142 D N -0.265 120.253 120.400 0.197 0.000 2.084 142 D HA -0.083 4.552 4.640 -0.009 0.000 0.196 142 D C 2.024 178.544 176.300 0.367 0.000 0.985 142 D CA 1.624 55.831 54.000 0.345 0.000 0.826 142 D CB -0.608 40.509 40.800 0.528 0.000 0.978 142 D HN 0.381 nan 8.370 nan 0.000 0.456 143 G N 0.655 109.624 108.800 0.281 0.000 2.432 143 G HA2 -0.244 3.711 3.960 -0.009 0.000 0.219 143 G HA3 -0.244 3.711 3.960 -0.009 0.000 0.219 143 G C 1.652 176.510 174.900 -0.069 0.000 1.135 143 G CA 0.475 45.442 45.100 -0.222 0.000 0.767 143 G HN 0.152 nan 8.290 nan 0.000 0.550 144 M N -0.189 119.360 119.600 -0.086 0.000 2.077 144 M HA -0.035 4.440 4.480 -0.009 0.000 0.261 144 M C 2.658 178.961 176.300 0.005 0.000 1.070 144 M CA 1.094 56.355 55.300 -0.065 0.000 1.125 144 M CB -0.115 32.373 32.600 -0.186 0.000 1.339 144 M HN 0.112 nan 8.290 nan 0.000 0.409 145 V N -0.403 119.527 119.914 0.025 0.000 2.343 145 V HA -0.244 3.870 4.120 -0.009 0.000 0.247 145 V C 2.217 178.350 176.094 0.065 0.000 1.051 145 V CA 1.544 63.873 62.300 0.047 0.000 1.036 145 V CB -0.436 31.424 31.823 0.061 0.000 0.654 145 V HN 0.324 nan 8.190 nan 0.000 0.451 146 V N 0.303 120.278 119.914 0.101 0.000 2.261 146 V HA -0.314 3.800 4.120 -0.009 0.000 0.246 146 V C 2.313 178.450 176.094 0.070 0.000 1.047 146 V CA 2.532 64.898 62.300 0.110 0.000 1.015 146 V CB -0.889 31.050 31.823 0.193 0.000 0.642 146 V HN 0.665 nan 8.190 nan 0.000 0.446 147 N N -0.042 118.695 118.700 0.062 0.000 2.069 147 N HA -0.204 4.531 4.740 -0.009 0.000 0.191 147 N C 2.053 177.617 175.510 0.091 0.000 1.031 147 N CA 1.864 54.977 53.050 0.104 0.000 0.852 147 N CB -0.105 38.438 38.487 0.094 0.000 1.018 147 N HN 0.414 nan 8.380 nan 0.000 0.423 148 L N 1.364 122.622 121.223 0.058 0.000 2.021 148 L HA -0.202 4.133 4.340 -0.009 0.000 0.215 148 L C 2.406 179.277 176.870 0.003 0.000 1.074 148 L CA 1.301 56.162 54.840 0.035 0.000 0.760 148 L CB -0.283 41.791 42.059 0.025 0.000 0.889 148 L HN 0.234 nan 8.230 nan 0.000 0.433 149 L N -1.207 120.014 121.223 -0.002 0.000 2.056 149 L HA -0.246 4.088 4.340 -0.009 0.000 0.207 149 L C 2.397 179.215 176.870 -0.087 0.000 1.078 149 L CA 1.217 56.040 54.840 -0.029 0.000 0.749 149 L CB -0.406 41.648 42.059 -0.008 0.000 0.901 149 L HN 0.306 nan 8.230 nan 0.000 0.433 150 L N -0.780 120.373 121.223 -0.117 0.000 2.217 150 L HA -0.155 4.179 4.340 -0.009 0.000 0.211 150 L C 2.579 179.119 176.870 -0.550 0.000 1.107 150 L CA 0.852 55.524 54.840 -0.280 0.000 0.783 150 L CB -0.350 41.583 42.059 -0.210 0.000 0.919 150 L HN 0.337 nan 8.230 nan 0.000 0.442 151 E N 0.549 120.534 120.200 -0.358 0.000 2.047 151 E HA -0.210 4.134 4.350 -0.009 0.000 0.191 151 E C 2.204 178.699 176.600 -0.175 0.000 0.987 151 E CA 1.151 57.388 56.400 -0.271 0.000 0.799 151 E CB 0.077 29.823 29.700 0.076 0.000 0.752 151 E HN 0.438 nan 8.360 nan 0.000 0.449 152 A N 0.754 123.508 122.820 -0.109 0.000 1.969 152 A HA -0.017 4.297 4.320 -0.009 0.000 0.218 152 A C 1.343 178.876 177.584 -0.085 0.000 1.169 152 A CA 0.721 52.716 52.037 -0.071 0.000 0.635 152 A CB -0.040 18.935 19.000 -0.042 0.000 0.810 152 A HN 0.238 nan 8.150 nan 0.000 0.445 153 I N -0.419 120.077 120.570 -0.122 0.000 2.555 153 I HA 0.211 4.375 4.170 -0.009 0.000 0.275 153 I C -2.115 173.907 176.117 -0.157 0.000 1.082 153 I CA -1.750 59.487 61.300 -0.105 0.000 1.167 153 I CB 1.921 39.879 38.000 -0.070 0.000 1.312 153 I HN -0.029 nan 8.210 nan 0.000 0.493 154 P HA -0.209 nan 4.420 nan 0.000 0.219 154 P C 0.643 177.863 177.300 -0.133 0.000 1.145 154 P CA 1.482 64.482 63.100 -0.168 0.000 0.813 154 P CB 0.047 31.695 31.700 -0.087 0.000 0.771 155 D N -2.907 117.444 120.400 -0.082 0.000 2.469 155 D HA 0.051 4.686 4.640 -0.009 0.000 0.215 155 D C 0.469 176.779 176.300 0.017 0.000 1.154 155 D CA -0.293 53.693 54.000 -0.022 0.000 0.832 155 D CB -0.498 40.319 40.800 0.027 0.000 1.008 155 D HN 0.076 nan 8.370 nan 0.000 0.506 156 L N 2.282 123.471 121.223 -0.058 0.000 2.453 156 L HA 0.154 4.488 4.340 -0.009 0.000 0.272 156 L C -0.381 176.426 176.870 -0.104 0.000 1.182 156 L CA 0.238 55.062 54.840 -0.027 0.000 0.858 156 L CB 0.245 42.266 42.059 -0.064 0.000 1.120 156 L HN 0.038 nan 8.230 nan 0.000 0.474 157 H N 5.941 124.986 119.070 -0.041 0.000 2.492 157 H HA 0.448 4.998 4.556 -0.009 0.000 0.345 157 H C -0.845 174.445 175.328 -0.063 0.000 1.136 157 H CA -0.822 55.200 56.048 -0.043 0.000 1.202 157 H CB 1.789 31.530 29.762 -0.034 0.000 1.524 157 H HN 0.513 nan 8.280 nan 0.000 0.506 158 L N 2.877 124.103 121.223 0.006 0.000 2.334 158 L HA 0.479 4.813 4.340 -0.009 0.000 0.276 158 L C 0.023 176.785 176.870 -0.181 0.000 1.014 158 L CA -0.748 54.061 54.840 -0.052 0.000 0.815 158 L CB 1.869 43.918 42.059 -0.016 0.000 1.268 158 L HN 0.434 nan 8.230 nan 0.000 0.428 159 R N 3.602 123.944 120.500 -0.264 0.000 2.343 159 R HA 0.654 4.988 4.340 -0.009 0.000 0.320 159 R C -1.294 174.864 176.300 -0.235 0.000 0.956 159 R CA -0.557 55.216 56.100 -0.545 0.000 0.836 159 R CB 1.531 31.474 30.300 -0.595 0.000 1.151 159 R HN 0.447 nan 8.270 nan 0.000 0.450 160 L N 1.942 123.069 121.223 -0.160 0.000 2.329 160 L HA 0.426 4.760 4.340 -0.009 0.000 0.279 160 L C -0.582 176.296 176.870 0.013 0.000 1.014 160 L CA -0.861 53.968 54.840 -0.018 0.000 0.814 160 L CB 1.895 43.981 42.059 0.045 0.000 1.257 160 L HN 0.453 nan 8.230 nan 0.000 0.424 161 D N 1.400 121.784 120.400 -0.027 0.000 2.453 161 D HA 0.500 5.135 4.640 -0.009 0.000 0.238 161 D C 0.318 176.507 176.300 -0.185 0.000 1.088 161 D CA -0.212 53.758 54.000 -0.049 0.000 0.854 161 D CB 2.083 42.881 40.800 -0.004 0.000 1.076 161 D HN 0.570 nan 8.370 nan 0.000 0.533 162 A N 3.519 126.154 122.820 -0.310 0.000 2.044 162 A HA 0.096 4.410 4.320 -0.009 0.000 0.213 162 A C 0.867 178.198 177.584 -0.421 0.000 1.169 162 A CA 0.196 51.891 52.037 -0.569 0.000 0.724 162 A CB -0.458 17.966 19.000 -0.960 0.000 0.840 162 A HN 0.715 nan 8.150 nan 0.000 0.463 163 N N -0.510 118.036 118.700 -0.256 0.000 2.727 163 N HA -0.211 4.524 4.740 -0.009 0.000 0.249 163 N C -0.291 175.085 175.510 -0.224 0.000 1.048 163 N CA 0.855 53.796 53.050 -0.182 0.000 0.714 163 N CB -1.417 36.998 38.487 -0.120 0.000 0.959 163 N HN 0.636 nan 8.380 nan 0.000 0.544 164 R N -3.510 116.834 120.500 -0.259 0.000 3.332 164 R HA -0.255 4.080 4.340 -0.009 0.000 0.263 164 R C 0.787 176.930 176.300 -0.263 0.000 1.053 164 R CA 0.670 56.636 56.100 -0.224 0.000 0.705 164 R CB -1.977 28.242 30.300 -0.134 0.000 1.166 164 R HN 0.529 nan 8.270 nan 0.000 0.427 165 A N -0.569 121.970 122.820 -0.468 0.000 2.132 165 A HA 0.057 4.371 4.320 -0.009 0.000 0.213 165 A C 0.194 177.650 177.584 -0.214 0.000 1.154 165 A CA 0.488 52.259 52.037 -0.443 0.000 0.753 165 A CB 0.258 18.847 19.000 -0.684 0.000 0.826 165 A HN 0.397 nan 8.150 nan 0.000 0.469 166 W N 0.631 121.866 121.300 -0.108 0.000 2.736 166 W HA 0.461 5.116 4.660 -0.009 0.000 0.335 166 W C 0.214 176.701 176.519 -0.052 0.000 1.059 166 W CA -0.977 56.316 57.345 -0.085 0.000 1.226 166 W CB 0.434 29.823 29.460 -0.118 0.000 1.416 166 W HN 0.143 nan 8.180 nan 0.000 0.505 167 T N -0.481 114.202 114.554 0.214 0.000 2.802 167 T HA 0.135 4.479 4.350 -0.009 0.000 0.305 167 T C -1.591 173.195 174.700 0.143 0.000 1.053 167 T CA -0.924 61.254 62.100 0.130 0.000 1.058 167 T CB 1.119 70.037 68.868 0.082 0.000 0.988 167 T HN 0.061 nan 8.240 nan 0.000 0.539 168 P HA -0.092 nan 4.420 nan 0.000 0.216 168 P C 1.624 178.986 177.300 0.104 0.000 1.154 168 P CA 0.554 63.734 63.100 0.133 0.000 0.865 168 P CB -0.087 31.677 31.700 0.106 0.000 0.789 169 L N -0.297 120.964 121.223 0.063 0.000 1.989 169 L HA -0.188 4.146 4.340 -0.009 0.000 0.211 169 L C 2.228 179.092 176.870 -0.010 0.000 1.071 169 L CA 2.008 56.866 54.840 0.030 0.000 0.749 169 L CB -1.044 41.028 42.059 0.022 0.000 0.890 169 L HN -0.107 nan 8.230 nan 0.000 0.431 170 K N -1.174 119.198 120.400 -0.046 0.000 2.148 170 K HA -0.083 4.231 4.320 -0.009 0.000 0.204 170 K C 2.045 178.339 176.600 -0.511 0.000 1.050 170 K CA 1.027 57.176 56.287 -0.229 0.000 0.942 170 K CB -0.565 31.829 32.500 -0.176 0.000 0.724 170 K HN 0.480 nan 8.250 nan 0.000 0.446 171 G N 1.407 110.072 108.800 -0.224 0.000 2.440 171 G HA2 -0.290 3.665 3.960 -0.009 0.000 0.218 171 G HA3 -0.290 3.665 3.960 -0.009 0.000 0.218 171 G C 1.367 176.397 174.900 0.216 0.000 1.154 171 G CA 0.582 45.660 45.100 -0.036 0.000 0.767 171 G HN 0.317 nan 8.290 nan 0.000 0.552 172 Q N -0.374 119.501 119.800 0.126 0.000 2.083 172 Q HA -0.044 4.290 4.340 -0.009 0.000 0.198 172 Q C 2.817 178.825 176.000 0.014 0.000 0.969 172 Q CA 0.975 56.820 55.803 0.071 0.000 0.838 172 Q CB -0.111 28.647 28.738 0.033 0.000 0.900 172 Q HN 0.528 nan 8.270 nan 0.000 0.436 173 Q N -0.275 119.515 119.800 -0.016 0.000 2.226 173 Q HA -0.177 4.157 4.340 -0.009 0.000 0.204 173 Q C 1.873 177.935 176.000 0.104 0.000 0.975 173 Q CA 1.112 56.928 55.803 0.022 0.000 0.866 173 Q CB -0.142 28.607 28.738 0.019 0.000 0.915 173 Q HN 0.396 nan 8.270 nan 0.000 0.440 174 F N 0.911 120.755 119.950 -0.177 0.000 2.128 174 F HA -0.000 4.521 4.527 -0.009 0.000 0.295 174 F C 2.155 177.995 175.800 0.067 0.000 1.100 174 F CA 1.258 59.184 58.000 -0.125 0.000 1.260 174 F CB -0.252 38.421 39.000 -0.545 0.000 1.009 174 F HN -0.052 nan 8.300 nan 0.000 0.476 175 A N 0.685 123.430 122.820 -0.126 0.000 2.014 175 A HA -0.154 4.161 4.320 -0.009 0.000 0.218 175 A C 2.220 179.663 177.584 -0.234 0.000 1.163 175 A CA 1.389 53.275 52.037 -0.252 0.000 0.652 175 A CB -0.898 18.086 19.000 -0.027 0.000 0.808 175 A HN 0.534 nan 8.150 nan 0.000 0.449 176 K N -1.225 119.062 120.400 -0.188 0.000 2.163 176 K HA -0.255 4.059 4.320 -0.009 0.000 0.210 176 K C 1.097 177.417 176.600 -0.466 0.000 1.048 176 K CA 2.346 58.437 56.287 -0.327 0.000 0.928 176 K CB -0.386 31.881 32.500 -0.388 0.000 0.716 176 K HN 0.615 nan 8.250 nan 0.000 0.459 177 Y N -0.480 119.686 120.300 -0.224 0.000 2.457 177 Y HA 0.173 4.718 4.550 -0.009 0.000 0.263 177 Y C -0.149 175.630 175.900 -0.201 0.000 1.164 177 Y CA -0.532 57.455 58.100 -0.189 0.000 1.274 177 Y CB 0.924 39.284 38.460 -0.165 0.000 1.097 177 Y HN -0.213 nan 8.280 nan 0.000 0.523 178 V N 1.328 121.146 119.914 -0.160 0.000 2.370 178 V HA 0.126 4.241 4.120 -0.009 0.000 0.283 178 V C 0.025 176.042 176.094 -0.129 0.000 1.023 178 V CA -1.412 60.812 62.300 -0.127 0.000 0.857 178 V CB 1.093 32.808 31.823 -0.180 0.000 0.985 178 V HN 0.195 nan 8.190 nan 0.000 0.443 179 N N 6.853 125.472 118.700 -0.135 0.000 2.411 179 N HA 0.054 4.789 4.740 -0.009 0.000 0.265 179 N C -1.577 173.793 175.510 -0.233 0.000 1.266 179 N CA -1.297 51.586 53.050 -0.278 0.000 0.889 179 N CB 1.553 39.665 38.487 -0.626 0.000 1.069 179 N HN 0.298 nan 8.380 nan 0.000 0.476 180 P HA -0.120 nan 4.420 nan 0.000 0.218 180 P C 0.285 177.515 177.300 -0.118 0.000 1.146 180 P CA 1.173 64.194 63.100 -0.132 0.000 0.813 180 P CB 0.304 31.931 31.700 -0.122 0.000 0.778 181 D N -2.605 117.674 120.400 -0.202 0.000 2.317 181 D HA -0.072 4.563 4.640 -0.009 0.000 0.211 181 D C 1.096 177.393 176.300 -0.004 0.000 0.966 181 D CA 0.942 54.855 54.000 -0.145 0.000 0.876 181 D CB -0.184 40.488 40.800 -0.213 0.000 0.927 181 D HN 0.274 nan 8.370 nan 0.000 0.519 182 Y N 0.464 120.736 120.300 -0.047 0.000 2.478 182 Y HA 0.225 4.769 4.550 -0.009 0.000 0.261 182 Y C 2.073 177.942 175.900 -0.052 0.000 1.127 182 Y CA -0.399 57.668 58.100 -0.056 0.000 1.288 182 Y CB -0.222 38.205 38.460 -0.054 0.000 1.084 182 Y HN -0.138 nan 8.280 nan 0.000 0.530 183 R N 0.800 121.358 120.500 0.098 0.000 2.193 183 R HA -0.137 4.197 4.340 -0.009 0.000 0.229 183 R C 1.414 177.751 176.300 0.062 0.000 1.110 183 R CA 1.443 57.583 56.100 0.067 0.000 0.988 183 R CB -0.260 30.053 30.300 0.023 0.000 0.871 183 R HN 0.430 nan 8.270 nan 0.000 0.458 184 D N -0.110 120.320 120.400 0.051 0.000 2.312 184 D HA -0.151 4.483 4.640 -0.009 0.000 0.211 184 D C 1.286 177.609 176.300 0.039 0.000 0.964 184 D CA 0.797 54.828 54.000 0.052 0.000 0.877 184 D CB -0.166 40.665 40.800 0.050 0.000 0.924 184 D HN 0.142 nan 8.370 nan 0.000 0.515 185 R N -0.189 120.286 120.500 -0.043 0.000 2.317 185 R HA 0.288 4.623 4.340 -0.009 0.000 0.208 185 R C 0.398 176.655 176.300 -0.073 0.000 0.914 185 R CA -0.185 55.777 56.100 -0.231 0.000 1.060 185 R CB 0.304 30.343 30.300 -0.436 0.000 1.015 185 R HN 0.208 nan 8.270 nan 0.000 0.498 186 I N 1.447 122.032 120.570 0.025 0.000 2.329 186 I HA 0.010 4.174 4.170 -0.009 0.000 0.295 186 I C 1.425 177.585 176.117 0.071 0.000 1.109 186 I CA -0.241 61.090 61.300 0.052 0.000 1.297 186 I CB 1.357 39.427 38.000 0.117 0.000 1.433 186 I HN 0.123 nan 8.210 nan 0.000 0.509 187 A N 7.732 130.570 122.820 0.031 0.000 1.883 187 A HA -0.072 4.242 4.320 -0.009 0.000 0.217 187 A C 0.628 178.300 177.584 0.146 0.000 1.186 187 A CA 1.523 53.600 52.037 0.066 0.000 0.624 187 A CB -0.213 18.774 19.000 -0.021 0.000 0.822 187 A HN 0.707 nan 8.150 nan 0.000 0.444 188 F N -4.642 115.354 119.950 0.078 0.000 2.678 188 F HA 0.653 5.174 4.527 -0.009 0.000 0.308 188 F C -1.258 174.577 175.800 0.059 0.000 1.118 188 F CA -1.425 56.605 58.000 0.049 0.000 0.959 188 F CB 1.097 40.099 39.000 0.003 0.000 1.305 188 F HN -0.026 nan 8.300 nan 0.000 0.443 189 L N 3.060 124.457 121.223 0.291 0.000 2.298 189 L HA 0.865 5.200 4.340 -0.009 0.000 0.284 189 L C -0.399 176.546 176.870 0.125 0.000 1.013 189 L CA -0.812 54.141 54.840 0.189 0.000 0.824 189 L CB 1.264 43.434 42.059 0.184 0.000 1.221 189 L HN 1.061 nan 8.230 nan 0.000 0.418 190 A N 4.288 127.180 122.820 0.121 0.000 2.362 190 A HA 0.337 4.652 4.320 -0.009 0.000 0.276 190 A C 0.340 177.861 177.584 -0.105 0.000 1.153 190 A CA -0.202 51.838 52.037 0.006 0.000 0.813 190 A CB 0.145 19.174 19.000 0.048 0.000 1.081 190 A HN 0.814 nan 8.150 nan 0.000 0.507 191 E N 1.527 121.678 120.200 -0.083 0.000 2.210 191 E HA -0.179 4.165 4.350 -0.009 0.000 0.201 191 E C -1.834 174.630 176.600 -0.226 0.000 1.339 191 E CA 0.882 57.248 56.400 -0.056 0.000 0.699 191 E CB -1.265 28.413 29.700 -0.036 0.000 1.126 191 E HN 0.654 nan 8.360 nan 0.000 0.355 192 P HA -0.136 nan 4.420 nan 0.000 0.215 192 P C 0.792 177.899 177.300 -0.322 0.000 1.153 192 P CA 1.100 63.899 63.100 -0.502 0.000 0.853 192 P CB 0.292 31.603 31.700 -0.649 0.000 0.788 193 C N -1.216 118.009 119.300 -0.126 0.000 2.668 193 C HA 0.361 4.815 4.460 -0.009 0.000 0.355 193 C C 2.049 177.032 174.990 -0.011 0.000 1.277 193 C CA -0.522 58.491 59.018 -0.010 0.000 1.787 193 C CB 1.566 29.347 27.740 0.069 0.000 2.233 193 C HN 0.055 nan 8.230 nan 0.000 0.495 194 K N -0.003 120.403 120.400 0.009 0.000 2.228 194 K HA 0.004 4.319 4.320 -0.009 0.000 0.202 194 K C 0.841 177.441 176.600 -0.001 0.000 1.051 194 K CA 1.029 57.310 56.287 -0.010 0.000 0.960 194 K CB 0.038 32.535 32.500 -0.005 0.000 0.743 194 K HN 0.910 nan 8.250 nan 0.000 0.458 195 T N -3.019 111.551 114.554 0.027 0.000 2.924 195 T HA 0.345 4.689 4.350 -0.009 0.000 0.291 195 T C 0.632 175.376 174.700 0.073 0.000 1.045 195 T CA -0.985 61.131 62.100 0.025 0.000 1.015 195 T CB 2.191 71.071 68.868 0.020 0.000 1.103 195 T HN -0.096 nan 8.240 nan 0.000 0.496 196 R N 0.137 120.661 120.500 0.040 0.000 2.115 196 R HA -0.012 4.323 4.340 -0.009 0.000 0.226 196 R C 1.525 177.941 176.300 0.192 0.000 1.100 196 R CA 0.980 57.139 56.100 0.099 0.000 0.980 196 R CB -0.249 29.923 30.300 -0.213 0.000 0.875 196 R HN 0.659 nan 8.270 nan 0.000 0.445 197 D N 0.895 121.357 120.400 0.102 0.000 2.149 197 D HA -0.149 4.485 4.640 -0.009 0.000 0.198 197 D C 1.241 177.626 176.300 0.142 0.000 0.990 197 D CA 1.309 55.375 54.000 0.110 0.000 0.839 197 D CB -0.093 40.744 40.800 0.062 0.000 0.948 197 D HN 0.111 nan 8.370 nan 0.000 0.460 198 D N -0.708 119.774 120.400 0.137 0.000 2.194 198 D HA -0.007 4.627 4.640 -0.009 0.000 0.204 198 D C 2.083 178.508 176.300 0.209 0.000 0.964 198 D CA 0.456 54.549 54.000 0.154 0.000 0.846 198 D CB -0.089 40.785 40.800 0.124 0.000 0.962 198 D HN 0.008 nan 8.370 nan 0.000 0.490 199 S N 0.183 116.015 115.700 0.220 0.000 2.371 199 S HA -0.045 4.419 4.470 -0.009 0.000 0.224 199 S C 1.900 176.664 174.600 0.272 0.000 1.029 199 S CA 0.553 58.889 58.200 0.227 0.000 0.978 199 S CB 0.157 63.512 63.200 0.258 0.000 0.833 199 S HN 0.221 nan 8.310 nan 0.000 0.466 200 R N 1.035 121.708 120.500 0.287 0.000 2.096 200 R HA -0.035 4.299 4.340 -0.009 0.000 0.235 200 R C 2.525 178.942 176.300 0.195 0.000 1.127 200 R CA 1.280 57.521 56.100 0.234 0.000 0.968 200 R CB -0.450 30.001 30.300 0.252 0.000 0.861 200 R HN 0.400 nan 8.270 nan 0.000 0.440 201 A N 0.699 123.637 122.820 0.197 0.000 1.898 201 A HA -0.187 4.128 4.320 -0.009 0.000 0.216 201 A C 1.954 179.650 177.584 0.188 0.000 1.181 201 A CA 1.068 53.202 52.037 0.161 0.000 0.620 201 A CB -0.648 18.438 19.000 0.143 0.000 0.819 201 A HN 0.418 nan 8.150 nan 0.000 0.442 202 F N 1.145 121.151 119.950 0.094 0.000 2.095 202 F HA -0.108 4.413 4.527 -0.009 0.000 0.298 202 F C 2.472 178.327 175.800 0.091 0.000 1.104 202 F CA 1.468 59.530 58.000 0.103 0.000 1.232 202 F CB -0.348 38.739 39.000 0.146 0.000 0.987 202 F HN 0.259 nan 8.300 nan 0.000 0.475 203 A N 1.011 124.014 122.820 0.305 0.000 1.917 203 A HA -0.247 4.067 4.320 -0.009 0.000 0.219 203 A C 2.324 179.906 177.584 -0.003 0.000 1.182 203 A CA 2.101 54.212 52.037 0.123 0.000 0.633 203 A CB -0.814 18.269 19.000 0.139 0.000 0.819 203 A HN 0.532 nan 8.150 nan 0.000 0.448 204 R N -0.991 119.525 120.500 0.025 0.000 2.073 204 R HA -0.058 4.277 4.340 -0.009 0.000 0.229 204 R C 2.058 178.336 176.300 -0.037 0.000 1.120 204 R CA 1.182 57.285 56.100 0.006 0.000 0.967 204 R CB -0.263 30.056 30.300 0.032 0.000 0.862 204 R HN 0.456 nan 8.270 nan 0.000 0.436 205 E N -0.025 120.140 120.200 -0.058 0.000 2.106 205 E HA -0.112 4.233 4.350 -0.009 0.000 0.192 205 E C 1.918 178.431 176.600 -0.145 0.000 0.984 205 E CA 1.833 58.182 56.400 -0.084 0.000 0.806 205 E CB -0.100 29.560 29.700 -0.066 0.000 0.750 205 E HN 0.437 nan 8.360 nan 0.000 0.458 206 T N -3.525 110.879 114.554 -0.250 0.000 3.040 206 T HA 0.266 4.610 4.350 -0.009 0.000 0.250 206 T C 1.477 176.067 174.700 -0.184 0.000 1.058 206 T CA 0.690 62.612 62.100 -0.296 0.000 0.988 206 T CB 0.305 68.804 68.868 -0.616 0.000 0.993 206 T HN 0.189 nan 8.240 nan 0.000 0.519 207 G N 1.748 110.473 108.800 -0.126 0.000 2.233 207 G HA2 -0.234 3.720 3.960 -0.009 0.000 0.270 207 G HA3 -0.234 3.720 3.960 -0.009 0.000 0.270 207 G C 0.010 174.894 174.900 -0.027 0.000 1.011 207 G CA 0.491 45.556 45.100 -0.058 0.000 0.762 207 G HN 0.694 nan 8.290 nan 0.000 0.511 208 I N 0.978 121.524 120.570 -0.040 0.000 2.336 208 I HA 0.532 4.696 4.170 -0.009 0.000 0.292 208 I C 0.974 177.173 176.117 0.137 0.000 0.991 208 I CA -0.620 60.724 61.300 0.073 0.000 1.227 208 I CB 1.610 39.699 38.000 0.148 0.000 1.366 208 I HN 0.251 nan 8.210 nan 0.000 0.466 209 A N 7.904 130.808 122.820 0.139 0.000 2.477 209 A HA 0.523 4.837 4.320 -0.009 0.000 0.246 209 A C -0.127 177.550 177.584 0.155 0.000 1.078 209 A CA -0.113 52.001 52.037 0.127 0.000 0.770 209 A CB 0.062 19.140 19.000 0.130 0.000 1.011 209 A HN 0.736 nan 8.150 nan 0.000 0.494 210 I N -0.997 119.602 120.570 0.047 0.000 2.910 210 I HA 0.890 5.054 4.170 -0.009 0.000 0.310 210 I C 0.030 176.012 176.117 -0.225 0.000 1.043 210 I CA -1.067 60.198 61.300 -0.058 0.000 1.053 210 I CB 2.288 40.178 38.000 -0.182 0.000 1.242 210 I HN 0.625 nan 8.210 nan 0.000 0.452 211 A N 2.847 125.496 122.820 -0.285 0.000 2.380 211 A HA 0.729 5.044 4.320 -0.009 0.000 0.315 211 A C -1.720 175.605 177.584 -0.432 0.000 1.101 211 A CA -0.618 51.161 52.037 -0.431 0.000 0.771 211 A CB 0.723 19.398 19.000 -0.542 0.000 1.287 211 A HN 0.816 nan 8.150 nan 0.000 0.436 212 W N 0.713 121.943 121.300 -0.117 0.000 2.449 212 W HA 0.539 5.193 4.660 -0.009 0.000 0.331 212 W C 0.448 176.830 176.519 -0.228 0.000 1.119 212 W CA -0.171 57.082 57.345 -0.153 0.000 1.240 212 W CB 1.278 30.644 29.460 -0.156 0.000 1.251 212 W HN 0.905 nan 8.180 nan 0.000 0.576 213 D N -0.109 120.318 120.400 0.045 0.000 2.880 213 D HA -0.140 4.495 4.640 -0.009 0.000 0.168 213 D C 1.845 178.080 176.300 -0.108 0.000 1.452 213 D CA 0.339 54.302 54.000 -0.061 0.000 1.553 213 D CB -0.206 40.570 40.800 -0.039 0.000 1.386 213 D HN 0.427 nan 8.370 nan 0.000 0.208 214 E N 1.024 121.177 120.200 -0.078 0.000 2.265 214 E HA -0.058 4.287 4.350 -0.009 0.000 0.196 214 E C 1.894 178.397 176.600 -0.162 0.000 0.996 214 E CA 0.696 57.032 56.400 -0.107 0.000 0.832 214 E CB -0.278 29.362 29.700 -0.099 0.000 0.756 214 E HN 0.106 nan 8.360 nan 0.000 0.491 215 S N 1.175 116.762 115.700 -0.188 0.000 2.368 215 S HA -0.105 4.359 4.470 -0.009 0.000 0.225 215 S C 1.903 176.198 174.600 -0.508 0.000 1.030 215 S CA 0.807 58.832 58.200 -0.291 0.000 0.999 215 S CB -0.220 62.760 63.200 -0.368 0.000 0.844 215 S HN 0.105 nan 8.310 nan 0.000 0.459 216 L N 1.364 122.124 121.223 -0.771 0.000 2.127 216 L HA -0.034 4.300 4.340 -0.009 0.000 0.211 216 L C 2.111 178.738 176.870 -0.405 0.000 1.089 216 L CA 1.598 55.854 54.840 -0.974 0.000 0.757 216 L CB -0.403 41.233 42.059 -0.705 0.000 0.899 216 L HN 0.193 nan 8.230 nan 0.000 0.434 217 R N -0.871 119.478 120.500 -0.253 0.000 2.359 217 R HA 0.157 4.491 4.340 -0.009 0.000 0.231 217 R C 0.072 176.314 176.300 -0.096 0.000 0.913 217 R CA -0.065 55.955 56.100 -0.133 0.000 1.075 217 R CB 0.154 30.394 30.300 -0.100 0.000 1.087 217 R HN 0.401 nan 8.270 nan 0.000 0.515 218 E N 1.321 121.458 120.200 -0.105 0.000 2.250 218 E HA 0.256 4.601 4.350 -0.009 0.000 0.269 218 E C -2.437 174.144 176.600 -0.032 0.000 1.018 218 E CA -2.249 54.111 56.400 -0.068 0.000 0.873 218 E CB 1.111 30.762 29.700 -0.080 0.000 1.134 218 E HN -0.126 nan 8.360 nan 0.000 0.403 219 P HA 0.106 nan 4.420 nan 0.000 0.275 219 P C -1.224 176.071 177.300 -0.008 0.000 1.227 219 P CA 0.003 63.096 63.100 -0.011 0.000 0.781 219 P CB 0.367 32.057 31.700 -0.016 0.000 0.906 220 D N -0.440 119.962 120.400 0.003 0.000 2.775 220 D HA -0.212 4.422 4.640 -0.009 0.000 0.235 220 D C -0.567 175.706 176.300 -0.044 0.000 1.120 220 D CA 0.650 54.638 54.000 -0.020 0.000 0.708 220 D CB -2.098 38.678 40.800 -0.040 0.000 1.084 220 D HN 0.345 nan 8.370 nan 0.000 0.434 221 F N 0.957 120.813 119.950 -0.158 0.000 2.427 221 F HA 0.465 4.986 4.527 -0.010 0.000 0.352 221 F C 0.350 176.010 175.800 -0.234 0.000 1.100 221 F CA -0.365 57.483 58.000 -0.253 0.000 1.191 221 F CB 0.659 39.465 39.000 -0.324 0.000 1.128 221 F HN 0.091 nan 8.300 nan 0.000 0.533 222 A N 6.206 128.358 122.820 -1.114 0.000 2.330 222 A HA 0.591 4.905 4.320 -0.009 0.000 0.327 222 A C -1.403 175.509 177.584 -1.121 0.000 1.155 222 A CA -0.610 50.972 52.037 -0.758 0.000 0.803 222 A CB 0.319 19.081 19.000 -0.396 0.000 1.208 222 A HN 0.694 nan 8.150 nan 0.000 0.477 223 F N 2.068 121.792 119.950 -0.378 0.000 2.466 223 F HA 0.435 4.956 4.527 -0.010 0.000 0.363 223 F C 0.311 176.048 175.800 -0.105 0.000 1.109 223 F CA 0.438 58.363 58.000 -0.125 0.000 1.161 223 F CB 0.969 40.005 39.000 0.060 0.000 1.117 223 F HN 0.221 nan 8.300 nan 0.000 0.539 224 V N 3.050 122.983 119.914 0.033 0.000 2.841 224 V HA 0.639 4.753 4.120 -0.009 0.000 0.310 224 V C -0.319 175.841 176.094 0.111 0.000 1.090 224 V CA -1.327 60.993 62.300 0.033 0.000 0.930 224 V CB 2.028 33.815 31.823 -0.061 0.000 1.014 224 V HN 0.784 nan 8.190 nan 0.000 0.425 225 A N 4.176 127.053 122.820 0.095 0.000 2.484 225 A HA 0.514 4.829 4.320 -0.009 0.000 0.268 225 A C -0.009 177.637 177.584 0.103 0.000 1.114 225 A CA 0.229 52.327 52.037 0.101 0.000 0.780 225 A CB -0.189 18.855 19.000 0.073 0.000 1.061 225 A HN 0.844 nan 8.150 nan 0.000 0.505 226 E N 1.636 121.914 120.200 0.131 0.000 2.234 226 E HA 0.350 4.695 4.350 -0.009 0.000 0.266 226 E C -0.932 175.727 176.600 0.099 0.000 0.877 226 E CA -0.696 55.786 56.400 0.136 0.000 0.758 226 E CB 1.709 31.547 29.700 0.231 0.000 1.170 226 E HN 0.743 nan 8.360 nan 0.000 0.415 227 E N 0.759 121.007 120.200 0.082 0.000 2.376 227 E HA 0.296 4.641 4.350 -0.009 0.000 0.266 227 E C 0.883 177.518 176.600 0.057 0.000 1.009 227 E CA 1.539 57.976 56.400 0.061 0.000 0.902 227 E CB 0.525 30.256 29.700 0.052 0.000 0.972 227 E HN 0.689 nan 8.360 nan 0.000 0.439 228 G N 2.567 111.392 108.800 0.041 0.000 2.258 228 G HA2 -0.251 3.704 3.960 -0.009 0.000 0.233 228 G HA3 -0.251 3.704 3.960 -0.009 0.000 0.233 228 G C -0.053 174.840 174.900 -0.012 0.000 1.006 228 G CA 0.006 45.124 45.100 0.030 0.000 0.620 228 G HN 0.542 nan 8.290 nan 0.000 0.511 229 V N 0.982 120.874 119.914 -0.037 0.000 2.461 229 V HA 0.642 4.757 4.120 -0.009 0.000 0.275 229 V C 1.206 177.277 176.094 -0.039 0.000 1.047 229 V CA 0.475 62.696 62.300 -0.131 0.000 0.955 229 V CB 1.371 33.102 31.823 -0.152 0.000 0.988 229 V HN 0.407 nan 8.190 nan 0.000 0.471 230 R N 2.223 122.696 120.500 -0.046 0.000 2.568 230 R HA 0.567 4.901 4.340 -0.009 0.000 0.254 230 R C 0.189 176.497 176.300 0.014 0.000 0.925 230 R CA 0.413 56.528 56.100 0.024 0.000 1.025 230 R CB 1.277 31.620 30.300 0.073 0.000 1.428 230 R HN 0.755 nan 8.270 nan 0.000 0.573 231 A N 0.618 123.384 122.820 -0.089 0.000 2.556 231 A HA 0.671 4.985 4.320 -0.009 0.000 0.294 231 A C -1.061 176.394 177.584 -0.216 0.000 1.091 231 A CA -0.664 51.263 52.037 -0.183 0.000 0.704 231 A CB 1.663 20.390 19.000 -0.456 0.000 1.300 231 A HN -0.014 nan 8.150 nan 0.000 0.406 232 V N -1.102 118.725 119.914 -0.145 0.000 2.823 232 V HA 0.871 4.986 4.120 -0.009 0.000 0.312 232 V C -0.795 175.183 176.094 -0.194 0.000 1.072 232 V CA -0.765 61.476 62.300 -0.098 0.000 0.937 232 V CB 1.443 33.340 31.823 0.124 0.000 1.013 232 V HN 0.766 nan 8.190 nan 0.000 0.430 233 V N 5.336 125.134 119.914 -0.194 0.000 2.370 233 V HA 0.506 4.620 4.120 -0.009 0.000 0.283 233 V C -0.079 175.953 176.094 -0.103 0.000 1.023 233 V CA -0.261 61.941 62.300 -0.164 0.000 0.857 233 V CB 1.299 33.025 31.823 -0.162 0.000 0.985 233 V HN 0.793 nan 8.190 nan 0.000 0.443 234 I N 5.079 125.602 120.570 -0.079 0.000 2.359 234 I HA 0.384 4.549 4.170 -0.009 0.000 0.284 234 I C -0.098 175.963 176.117 -0.093 0.000 1.018 234 I CA -0.696 60.558 61.300 -0.076 0.000 1.173 234 I CB 1.343 39.309 38.000 -0.057 0.000 1.326 234 I HN 0.454 nan 8.210 nan 0.000 0.462 235 K N 8.162 128.498 120.400 -0.107 0.000 2.231 235 K HA 0.271 4.585 4.320 -0.009 0.000 0.275 235 K C -1.854 174.612 176.600 -0.224 0.000 1.105 235 K CA -1.501 54.702 56.287 -0.139 0.000 0.931 235 K CB 0.809 33.250 32.500 -0.099 0.000 1.296 235 K HN 0.220 nan 8.250 nan 0.000 0.446 236 P HA -0.131 nan 4.420 nan 0.000 0.218 236 P C 0.640 177.504 177.300 -0.727 0.000 1.149 236 P CA 1.061 63.792 63.100 -0.615 0.000 0.817 236 P CB 0.386 31.487 31.700 -0.999 0.000 0.785 237 T N -0.721 113.453 114.554 -0.634 0.000 2.962 237 T HA 0.005 4.349 4.350 -0.009 0.000 0.270 237 T C 1.289 175.932 174.700 -0.095 0.000 1.088 237 T CA 0.930 62.875 62.100 -0.259 0.000 1.127 237 T CB -0.528 68.279 68.868 -0.101 0.000 0.883 237 T HN 0.113 nan 8.240 nan 0.000 0.493 238 L N 0.004 121.159 121.223 -0.112 0.000 2.640 238 L HA 0.209 4.544 4.340 -0.009 0.000 0.230 238 L C 2.115 178.956 176.870 -0.048 0.000 1.123 238 L CA 0.359 55.172 54.840 -0.044 0.000 0.900 238 L CB -0.072 41.977 42.059 -0.017 0.000 1.146 238 L HN 0.151 nan 8.230 nan 0.000 0.484 239 T N -0.875 113.633 114.554 -0.077 0.000 3.087 239 T HA 0.479 4.823 4.350 -0.009 0.000 0.237 239 T C 0.961 175.656 174.700 -0.008 0.000 0.990 239 T CA 0.772 62.842 62.100 -0.051 0.000 1.160 239 T CB 0.952 69.776 68.868 -0.074 0.000 0.923 239 T HN 0.499 nan 8.240 nan 0.000 0.442 240 G N 1.410 110.217 108.800 0.013 0.000 2.217 240 G HA2 0.074 4.028 3.960 -0.009 0.000 0.173 240 G HA3 0.074 4.028 3.960 -0.009 0.000 0.173 240 G C -0.270 174.733 174.900 0.171 0.000 1.324 240 G CA -0.195 44.954 45.100 0.081 0.000 1.225 240 G HN 0.800 nan 8.290 nan 0.000 0.494 241 S N 0.138 115.913 115.700 0.124 0.000 2.584 241 S HA 0.400 4.864 4.470 -0.009 0.000 0.270 241 S C 1.512 176.230 174.600 0.198 0.000 1.346 241 S CA 0.502 58.786 58.200 0.139 0.000 1.018 241 S CB 1.449 64.687 63.200 0.063 0.000 0.899 241 S HN 1.929 nan 8.310 nan 0.000 0.542 242 L N 0.605 121.960 121.223 0.220 0.000 2.275 242 L HA 0.098 4.433 4.340 -0.009 0.000 0.215 242 L C 1.985 178.937 176.870 0.137 0.000 1.119 242 L CA 1.766 56.746 54.840 0.233 0.000 0.790 242 L CB -1.258 40.937 42.059 0.227 0.000 0.919 242 L HN 0.794 nan 8.230 nan 0.000 0.443 243 E N -0.233 120.030 120.200 0.104 0.000 2.152 243 E HA -0.159 4.186 4.350 -0.009 0.000 0.192 243 E C 2.103 178.722 176.600 0.032 0.000 0.983 243 E CA 1.049 57.488 56.400 0.064 0.000 0.818 243 E CB -0.152 29.588 29.700 0.067 0.000 0.758 243 E HN 0.525 nan 8.360 nan 0.000 0.467 244 K N 0.157 120.585 120.400 0.045 0.000 2.186 244 K HA -0.002 4.312 4.320 -0.009 0.000 0.202 244 K C 1.776 178.384 176.600 0.014 0.000 1.052 244 K CA 0.507 56.813 56.287 0.033 0.000 0.965 244 K CB 0.237 32.764 32.500 0.046 0.000 0.746 244 K HN -0.032 nan 8.250 nan 0.000 0.457 245 V N 2.007 121.933 119.914 0.020 0.000 2.270 245 V HA -0.241 3.873 4.120 -0.009 0.000 0.245 245 V C 2.568 178.621 176.094 -0.067 0.000 1.043 245 V CA 2.057 64.351 62.300 -0.009 0.000 1.014 245 V CB -0.618 31.219 31.823 0.022 0.000 0.645 245 V HN 0.435 nan 8.190 nan 0.000 0.447 246 R N 0.269 120.719 120.500 -0.083 0.000 2.115 246 R HA -0.282 4.052 4.340 -0.009 0.000 0.239 246 R C 2.288 178.481 176.300 -0.179 0.000 1.133 246 R CA 2.540 58.536 56.100 -0.172 0.000 0.935 246 R CB -0.543 29.648 30.300 -0.182 0.000 0.853 246 R HN 0.599 nan 8.270 nan 0.000 0.433 247 E N 0.011 120.138 120.200 -0.123 0.000 2.108 247 E HA -0.297 4.047 4.350 -0.009 0.000 0.203 247 E C 2.248 178.719 176.600 -0.215 0.000 1.022 247 E CA 2.177 58.500 56.400 -0.128 0.000 0.823 247 E CB -0.078 29.589 29.700 -0.055 0.000 0.744 247 E HN 0.572 nan 8.360 nan 0.000 0.456 248 Q N -0.223 119.475 119.800 -0.170 0.000 2.079 248 Q HA -0.121 4.213 4.340 -0.009 0.000 0.200 248 Q C 2.368 178.134 176.000 -0.390 0.000 0.974 248 Q CA 1.117 56.775 55.803 -0.242 0.000 0.840 248 Q CB 0.052 28.846 28.738 0.093 0.000 0.898 248 Q HN 0.160 nan 8.270 nan 0.000 0.430 249 V N 1.336 121.066 119.914 -0.307 0.000 2.287 249 V HA -0.323 3.792 4.120 -0.009 0.000 0.248 249 V C 2.157 177.903 176.094 -0.580 0.000 1.053 249 V CA 2.001 64.027 62.300 -0.456 0.000 1.027 249 V CB -0.516 31.054 31.823 -0.421 0.000 0.646 249 V HN 0.410 nan 8.190 nan 0.000 0.447 250 Q N -0.630 118.928 119.800 -0.403 0.000 2.124 250 Q HA -0.155 4.179 4.340 -0.009 0.000 0.202 250 Q C 2.392 178.226 176.000 -0.277 0.000 0.977 250 Q CA 1.621 57.256 55.803 -0.280 0.000 0.850 250 Q CB -0.368 28.253 28.738 -0.194 0.000 0.901 250 Q HN 0.699 nan 8.270 nan 0.000 0.429 251 A N 1.188 123.735 122.820 -0.455 0.000 1.877 251 A HA -0.124 4.190 4.320 -0.009 0.000 0.216 251 A C 2.299 179.633 177.584 -0.416 0.000 1.186 251 A CA 1.549 53.246 52.037 -0.567 0.000 0.620 251 A CB -0.820 17.449 19.000 -1.218 0.000 0.822 251 A HN 0.394 nan 8.150 nan 0.000 0.443 252 A N -0.471 122.084 122.820 -0.442 0.000 1.851 252 A HA -0.234 4.080 4.320 -0.009 0.000 0.216 252 A C 1.935 179.553 177.584 0.058 0.000 1.195 252 A CA 1.758 53.761 52.037 -0.058 0.000 0.622 252 A CB -1.278 17.703 19.000 -0.032 0.000 0.831 252 A HN 0.750 nan 8.150 nan 0.000 0.444 253 H N -0.852 118.176 119.070 -0.069 0.000 2.457 253 H HA -0.050 4.501 4.556 -0.009 0.000 0.297 253 H C 2.375 177.682 175.328 -0.036 0.000 1.092 253 H CA 0.525 56.545 56.048 -0.046 0.000 1.309 253 H CB 0.012 29.735 29.762 -0.065 0.000 1.382 253 H HN 0.582 nan 8.280 nan 0.000 0.535 254 A N 0.849 123.709 122.820 0.067 0.000 1.969 254 A HA -0.077 4.238 4.320 -0.009 0.000 0.218 254 A C 2.166 179.778 177.584 0.046 0.000 1.169 254 A CA 0.881 52.937 52.037 0.032 0.000 0.635 254 A CB -0.361 18.635 19.000 -0.006 0.000 0.810 254 A HN 0.303 nan 8.150 nan 0.000 0.445 255 L N -1.421 119.842 121.223 0.067 0.000 2.558 255 L HA 0.197 4.532 4.340 -0.009 0.000 0.225 255 L C 1.596 178.519 176.870 0.088 0.000 1.128 255 L CA 0.551 55.444 54.840 0.090 0.000 0.868 255 L CB -0.129 42.014 42.059 0.139 0.000 1.006 255 L HN 0.575 nan 8.230 nan 0.000 0.454 256 G N 0.448 109.299 108.800 0.085 0.000 2.132 256 G HA2 -0.239 3.715 3.960 -0.009 0.000 0.234 256 G HA3 -0.239 3.715 3.960 -0.009 0.000 0.234 256 G C 0.021 174.973 174.900 0.087 0.000 0.989 256 G CA -0.239 44.902 45.100 0.069 0.000 0.676 256 G HN 0.202 nan 8.290 nan 0.000 0.522 257 L N 0.590 121.889 121.223 0.126 0.000 2.375 257 L HA 0.636 4.970 4.340 -0.009 0.000 0.268 257 L C 0.837 177.802 176.870 0.159 0.000 1.058 257 L CA -0.835 54.081 54.840 0.127 0.000 0.803 257 L CB 1.289 43.435 42.059 0.145 0.000 1.212 257 L HN 0.051 nan 8.230 nan 0.000 0.451 258 T N 1.522 116.143 114.554 0.111 0.000 2.794 258 T HA 0.465 4.809 4.350 -0.009 0.000 0.296 258 T C 0.038 174.780 174.700 0.070 0.000 0.949 258 T CA -0.443 61.728 62.100 0.119 0.000 1.101 258 T CB 1.042 69.978 68.868 0.114 0.000 0.905 258 T HN 0.635 nan 8.240 nan 0.000 0.516 259 A N 3.813 126.698 122.820 0.107 0.000 2.249 259 A HA 0.617 4.931 4.320 -0.009 0.000 0.314 259 A C -0.118 177.482 177.584 0.027 0.000 1.290 259 A CA -0.643 51.398 52.037 0.007 0.000 0.893 259 A CB 0.367 19.302 19.000 -0.108 0.000 1.165 259 A HN 0.692 nan 8.150 nan 0.000 0.530 260 V N 4.702 124.606 119.914 -0.017 0.000 2.394 260 V HA 0.248 4.362 4.120 -0.009 0.000 0.282 260 V C -0.010 176.084 176.094 -0.000 0.000 1.031 260 V CA -0.645 61.669 62.300 0.024 0.000 0.881 260 V CB 1.124 32.978 31.823 0.052 0.000 0.982 260 V HN 0.680 nan 8.190 nan 0.000 0.451 261 I N 3.895 124.476 120.570 0.019 0.000 2.416 261 I HA 0.365 4.530 4.170 -0.009 0.000 0.288 261 I C 0.580 176.703 176.117 0.011 0.000 1.051 261 I CA 0.763 62.066 61.300 0.004 0.000 1.375 261 I CB 1.007 39.025 38.000 0.030 0.000 1.407 261 I HN 0.619 nan 8.210 nan 0.000 0.516 262 S N 3.701 119.388 115.700 -0.022 0.000 2.599 262 S HA 0.393 4.857 4.470 -0.009 0.000 0.294 262 S C -0.199 174.370 174.600 -0.053 0.000 1.094 262 S CA -0.505 57.682 58.200 -0.022 0.000 0.931 262 S CB 2.059 65.246 63.200 -0.022 0.000 1.093 262 S HN 0.678 nan 8.310 nan 0.000 0.488 263 S N 1.081 116.751 115.700 -0.051 0.000 2.528 263 S HA 0.247 4.711 4.470 -0.009 0.000 0.277 263 S C 0.185 174.721 174.600 -0.107 0.000 1.297 263 S CA -0.444 57.713 58.200 -0.072 0.000 1.052 263 S CB 0.376 63.526 63.200 -0.083 0.000 0.917 263 S HN 0.544 nan 8.310 nan 0.000 0.492 264 S N 4.762 120.393 115.700 -0.114 0.000 2.526 264 S HA 0.320 4.784 4.470 -0.009 0.000 0.247 264 S C 0.322 174.834 174.600 -0.147 0.000 1.076 264 S CA -0.467 57.639 58.200 -0.157 0.000 1.105 264 S CB -1.018 62.102 63.200 -0.133 0.000 0.793 264 S HN 0.831 nan 8.310 nan 0.000 0.458 265 I N 0.788 121.281 120.570 -0.128 0.000 6.521 265 I HA -0.249 3.915 4.170 -0.009 0.000 0.126 265 I C -0.231 175.866 176.117 -0.032 0.000 1.822 265 I CA 0.091 61.329 61.300 -0.103 0.000 2.063 265 I CB -1.401 36.516 38.000 -0.138 0.000 3.493 265 I HN 0.252 nan 8.210 nan 0.000 0.177 266 E N 1.441 121.646 120.200 0.008 0.000 2.373 266 E HA 0.428 4.772 4.350 -0.009 0.000 0.263 266 E C 0.737 177.377 176.600 0.066 0.000 1.073 266 E CA 0.159 56.620 56.400 0.101 0.000 0.894 266 E CB 0.620 30.413 29.700 0.155 0.000 1.008 266 E HN 0.444 nan 8.360 nan 0.000 0.420 267 S N 0.814 116.571 115.700 0.095 0.000 2.580 267 S HA -0.081 4.383 4.470 -0.009 0.000 0.261 267 S C 1.373 175.974 174.600 0.002 0.000 1.366 267 S CA 0.053 58.223 58.200 -0.050 0.000 0.996 267 S CB 0.706 63.755 63.200 -0.252 0.000 0.902 267 S HN 0.630 nan 8.310 nan 0.000 0.566 268 S N 1.236 116.912 115.700 -0.041 0.000 2.392 268 S HA -0.234 4.231 4.470 -0.009 0.000 0.232 268 S C 1.754 176.400 174.600 0.078 0.000 1.041 268 S CA 1.468 59.686 58.200 0.030 0.000 1.026 268 S CB -1.111 62.093 63.200 0.007 0.000 0.845 268 S HN 0.730 nan 8.310 nan 0.000 0.465 269 L N 1.688 122.914 121.223 0.005 0.000 1.994 269 L HA 0.035 4.369 4.340 -0.009 0.000 0.208 269 L C 2.755 179.681 176.870 0.092 0.000 1.071 269 L CA 1.813 56.627 54.840 -0.042 0.000 0.745 269 L CB -1.142 40.755 42.059 -0.270 0.000 0.892 269 L HN 0.482 nan 8.230 nan 0.000 0.431 270 G N -0.406 108.508 108.800 0.189 0.000 2.418 270 G HA2 -0.232 3.723 3.960 -0.009 0.000 0.217 270 G HA3 -0.232 3.723 3.960 -0.009 0.000 0.217 270 G C 1.541 176.586 174.900 0.242 0.000 1.158 270 G CA 0.937 46.188 45.100 0.253 0.000 0.771 270 G HN 0.383 nan 8.290 nan 0.000 0.545 271 L N 1.199 122.542 121.223 0.199 0.000 2.043 271 L HA -0.149 4.186 4.340 -0.009 0.000 0.212 271 L C 3.364 180.498 176.870 0.441 0.000 1.075 271 L CA 1.917 56.892 54.840 0.226 0.000 0.752 271 L CB -1.068 41.024 42.059 0.055 0.000 0.891 271 L HN 0.448 nan 8.230 nan 0.000 0.432 272 T N -3.403 111.405 114.554 0.424 0.000 2.867 272 T HA -0.215 4.129 4.350 -0.009 0.000 0.268 272 T C 1.772 176.581 174.700 0.183 0.000 1.057 272 T CA 1.105 63.413 62.100 0.346 0.000 1.136 272 T CB -0.253 68.750 68.868 0.225 0.000 0.874 272 T HN 0.390 nan 8.240 nan 0.000 0.466 273 Q N 0.477 120.379 119.800 0.170 0.000 2.172 273 Q HA 0.181 4.515 4.340 -0.009 0.000 0.200 273 Q C 2.418 178.535 176.000 0.195 0.000 0.964 273 Q CA 0.924 56.813 55.803 0.142 0.000 0.855 273 Q CB -0.350 28.464 28.738 0.126 0.000 0.918 273 Q HN 0.509 nan 8.270 nan 0.000 0.444 274 L N 0.159 121.527 121.223 0.242 0.000 2.017 274 L HA -0.184 4.150 4.340 -0.009 0.000 0.208 274 L C 2.541 179.506 176.870 0.159 0.000 1.073 274 L CA 0.992 55.962 54.840 0.216 0.000 0.745 274 L CB -0.646 41.525 42.059 0.185 0.000 0.894 274 L HN 0.212 nan 8.230 nan 0.000 0.432 275 A N 0.207 123.125 122.820 0.163 0.000 1.917 275 A HA -0.257 4.057 4.320 -0.009 0.000 0.219 275 A C 2.383 179.914 177.584 -0.088 0.000 1.182 275 A CA 1.914 53.954 52.037 0.004 0.000 0.633 275 A CB -0.515 18.383 19.000 -0.171 0.000 0.819 275 A HN 0.352 nan 8.150 nan 0.000 0.448 276 R N -0.921 119.561 120.500 -0.029 0.000 2.062 276 R HA 0.052 4.386 4.340 -0.009 0.000 0.229 276 R C 2.015 178.387 176.300 0.120 0.000 1.128 276 R CA 1.426 57.523 56.100 -0.006 0.000 0.960 276 R CB -0.445 29.853 30.300 -0.003 0.000 0.855 276 R HN 0.553 nan 8.270 nan 0.000 0.432 277 I N 0.860 121.543 120.570 0.188 0.000 2.335 277 I HA -0.297 3.868 4.170 -0.009 0.000 0.251 277 I C 2.533 178.776 176.117 0.210 0.000 1.129 277 I CA 1.267 62.743 61.300 0.294 0.000 1.402 277 I CB -0.330 37.837 38.000 0.277 0.000 1.069 277 I HN 0.218 nan 8.210 nan 0.000 0.424 278 A N 0.709 123.606 122.820 0.129 0.000 1.845 278 A HA -0.185 4.129 4.320 -0.009 0.000 0.215 278 A C 2.574 180.212 177.584 0.090 0.000 1.195 278 A CA 1.932 54.021 52.037 0.086 0.000 0.616 278 A CB -1.111 17.924 19.000 0.059 0.000 0.832 278 A HN 0.403 nan 8.150 nan 0.000 0.443 279 A N -1.885 120.978 122.820 0.070 0.000 1.940 279 A HA -0.204 4.111 4.320 -0.009 0.000 0.219 279 A C 1.974 179.662 177.584 0.174 0.000 1.176 279 A CA 1.841 53.921 52.037 0.072 0.000 0.631 279 A CB -0.805 18.199 19.000 0.006 0.000 0.814 279 A HN 0.868 nan 8.150 nan 0.000 0.446 280 W N 0.151 121.447 121.300 -0.006 0.000 2.408 280 W HA 0.005 4.659 4.660 -0.010 0.000 0.311 280 W C 1.774 178.309 176.519 0.027 0.000 1.190 280 W CA 1.665 59.016 57.345 0.009 0.000 1.321 280 W CB -0.478 28.989 29.460 0.011 0.000 1.143 280 W HN 0.226 nan 8.180 nan 0.000 0.501 281 L N -0.562 120.648 121.223 -0.021 0.000 2.316 281 L HA 0.116 4.450 4.340 -0.009 0.000 0.207 281 L C 1.231 178.096 176.870 -0.009 0.000 1.070 281 L CA 1.485 56.203 54.840 -0.203 0.000 0.820 281 L CB -0.753 41.157 42.059 -0.248 0.000 0.992 281 L HN -0.079 nan 8.230 nan 0.000 0.466 282 T N -3.769 110.818 114.554 0.055 0.000 3.444 282 T HA 0.281 4.625 4.350 -0.009 0.000 0.265 282 T C -1.935 172.811 174.700 0.076 0.000 1.537 282 T CA -1.493 60.677 62.100 0.117 0.000 1.530 282 T CB 0.456 69.387 68.868 0.106 0.000 0.958 282 T HN -0.112 nan 8.240 nan 0.000 0.684 283 P HA -0.140 nan 4.420 nan 0.000 0.218 283 P C 1.078 178.394 177.300 0.026 0.000 1.148 283 P CA 1.381 64.507 63.100 0.043 0.000 0.822 283 P CB 0.149 31.872 31.700 0.038 0.000 0.784 284 D N -1.378 119.031 120.400 0.015 0.000 2.349 284 D HA -0.007 4.628 4.640 -0.009 0.000 0.214 284 D C -0.403 175.909 176.300 0.021 0.000 1.063 284 D CA 0.220 54.224 54.000 0.007 0.000 0.847 284 D CB -0.295 40.496 40.800 -0.015 0.000 0.933 284 D HN 0.027 nan 8.370 nan 0.000 0.513 285 T N 1.987 116.567 114.554 0.044 0.000 2.770 285 T HA 0.351 4.696 4.350 -0.009 0.000 0.297 285 T C 0.695 175.435 174.700 0.068 0.000 0.997 285 T CA -0.582 61.557 62.100 0.065 0.000 0.949 285 T CB 1.459 70.384 68.868 0.094 0.000 0.941 285 T HN 0.041 nan 8.240 nan 0.000 0.457 286 I N 6.749 127.359 120.570 0.067 0.000 2.821 286 I HA 0.039 4.203 4.170 -0.009 0.000 0.294 286 I C -1.464 174.709 176.117 0.093 0.000 1.210 286 I CA -1.146 60.199 61.300 0.075 0.000 1.430 286 I CB 0.347 38.390 38.000 0.072 0.000 1.356 286 I HN 0.351 nan 8.210 nan 0.000 0.563 287 P HA 0.138 nan 4.420 nan 0.000 0.278 287 P C -0.128 177.230 177.300 0.096 0.000 1.258 287 P CA -0.464 62.693 63.100 0.095 0.000 0.811 287 P CB 0.827 32.587 31.700 0.100 0.000 1.063 288 G N 1.206 110.052 108.800 0.076 0.000 3.727 288 G HA2 0.419 4.374 3.960 -0.009 0.000 0.301 288 G HA3 0.419 4.374 3.960 -0.009 0.000 0.301 288 G C 0.361 175.269 174.900 0.014 0.000 1.128 288 G CA -0.366 44.768 45.100 0.057 0.000 1.545 288 G HN 0.356 nan 8.290 nan 0.000 0.555 289 L N 0.109 121.336 121.223 0.007 0.000 2.959 289 L HA 0.234 4.569 4.340 -0.009 0.000 0.259 289 L C 0.592 177.336 176.870 -0.210 0.000 1.185 289 L CA -0.152 54.645 54.840 -0.071 0.000 0.998 289 L CB 0.739 42.807 42.059 0.015 0.000 1.337 289 L HN 0.231 nan 8.230 nan 0.000 0.555 290 D N 0.946 121.264 120.400 -0.137 0.000 2.688 290 D HA 0.013 4.647 4.640 -0.009 0.000 0.228 290 D C 1.256 177.454 176.300 -0.169 0.000 1.116 290 D CA 0.285 54.183 54.000 -0.170 0.000 1.023 290 D CB 0.330 41.085 40.800 -0.074 0.000 1.100 290 D HN 0.200 nan 8.370 nan 0.000 0.487 291 T N -1.780 112.639 114.554 -0.225 0.000 3.043 291 T HA 0.024 4.368 4.350 -0.009 0.000 0.272 291 T C 1.431 176.012 174.700 -0.198 0.000 0.990 291 T CA -0.390 61.603 62.100 -0.178 0.000 0.897 291 T CB -0.100 68.679 68.868 -0.148 0.000 1.111 291 T HN 0.154 nan 8.240 nan 0.000 0.529 292 L N 2.235 123.288 121.223 -0.284 0.000 2.093 292 L HA 0.159 4.494 4.340 -0.009 0.000 0.208 292 L C 1.482 178.248 176.870 -0.174 0.000 1.085 292 L CA 1.776 56.459 54.840 -0.262 0.000 0.755 292 L CB -0.701 41.113 42.059 -0.408 0.000 0.904 292 L HN 0.114 nan 8.230 nan 0.000 0.435 293 D N -0.707 119.598 120.400 -0.158 0.000 2.350 293 D HA -0.100 4.534 4.640 -0.009 0.000 0.216 293 D C 2.067 178.317 176.300 -0.082 0.000 0.968 293 D CA 0.560 54.498 54.000 -0.103 0.000 0.894 293 D CB 0.114 40.862 40.800 -0.086 0.000 0.909 293 D HN 0.248 nan 8.370 nan 0.000 0.520 294 L N -0.141 121.027 121.223 -0.091 0.000 2.265 294 L HA -0.027 4.308 4.340 -0.009 0.000 0.215 294 L C 1.194 178.024 176.870 -0.066 0.000 1.117 294 L CA 1.114 55.910 54.840 -0.074 0.000 0.782 294 L CB -0.637 41.373 42.059 -0.082 0.000 0.914 294 L HN 0.037 nan 8.230 nan 0.000 0.441 295 M N -2.036 117.520 119.600 -0.074 0.000 2.654 295 M HA 0.254 4.729 4.480 -0.009 0.000 0.310 295 M C 0.757 177.022 176.300 -0.058 0.000 1.211 295 M CA -0.178 55.083 55.300 -0.065 0.000 0.947 295 M CB 1.182 33.736 32.600 -0.077 0.000 1.647 295 M HN -0.192 nan 8.290 nan 0.000 0.481 296 Q N -0.039 119.733 119.800 -0.048 0.000 2.384 296 Q HA 0.409 4.743 4.340 -0.009 0.000 0.207 296 Q C -0.410 175.564 176.000 -0.044 0.000 0.904 296 Q CA -0.082 55.697 55.803 -0.040 0.000 0.933 296 Q CB 0.947 29.668 28.738 -0.028 0.000 1.077 296 Q HN 0.740 nan 8.270 nan 0.000 0.522 297 A N 0.228 123.012 122.820 -0.059 0.000 2.612 297 A HA 0.469 4.783 4.320 -0.009 0.000 0.293 297 A C -1.359 176.170 177.584 -0.093 0.000 1.075 297 A CA -0.838 51.159 52.037 -0.067 0.000 0.680 297 A CB 1.288 20.251 19.000 -0.060 0.000 1.279 297 A HN 0.062 nan 8.150 nan 0.000 0.411 298 Q N 0.235 119.983 119.800 -0.087 0.000 2.199 298 Q HA 0.639 4.974 4.340 -0.009 0.000 0.232 298 Q C -0.926 174.993 176.000 -0.136 0.000 0.969 298 Q CA -0.578 55.164 55.803 -0.101 0.000 0.925 298 Q CB 1.085 29.785 28.738 -0.064 0.000 1.198 298 Q HN 0.669 nan 8.270 nan 0.000 0.494 299 Q N -0.045 119.656 119.800 -0.165 0.000 2.309 299 Q HA 0.302 4.636 4.340 -0.009 0.000 0.273 299 Q C -0.205 175.639 176.000 -0.259 0.000 1.040 299 Q CA -0.394 55.293 55.803 -0.193 0.000 0.834 299 Q CB 2.508 31.115 28.738 -0.218 0.000 1.345 299 Q HN 0.570 nan 8.270 nan 0.000 0.414 300 V N -0.251 119.483 119.914 -0.299 0.000 0.489 300 V HA -0.416 3.698 4.120 -0.009 0.000 0.092 300 V C 0.176 176.036 176.094 -0.390 0.000 2.367 300 V CA 2.172 64.200 62.300 -0.454 0.000 3.630 300 V CB -0.987 30.363 31.823 -0.789 0.000 0.914 300 V HN 0.827 nan 8.190 nan 0.000 0.957 301 R N 0.049 120.356 120.500 -0.323 0.000 2.599 301 R HA 0.641 4.975 4.340 -0.009 0.000 0.295 301 R C -0.239 175.993 176.300 -0.113 0.000 0.963 301 R CA -0.885 55.080 56.100 -0.225 0.000 0.883 301 R CB 1.935 32.100 30.300 -0.224 0.000 1.171 301 R HN 0.367 nan 8.270 nan 0.000 0.450 302 R N 1.396 121.840 120.500 -0.093 0.000 2.441 302 R HA 0.146 4.480 4.340 -0.009 0.000 0.284 302 R C -0.559 175.750 176.300 0.015 0.000 1.070 302 R CA -0.219 55.855 56.100 -0.044 0.000 1.047 302 R CB 1.157 31.404 30.300 -0.089 0.000 1.016 302 R HN 0.501 nan 8.270 nan 0.000 0.477 303 W N 6.209 127.444 121.300 -0.109 0.000 2.338 303 W HA 0.253 4.907 4.660 -0.010 0.000 0.307 303 W C -2.310 174.093 176.519 -0.195 0.000 1.167 303 W CA -2.433 54.844 57.345 -0.113 0.000 1.208 303 W CB 1.314 30.750 29.460 -0.041 0.000 1.228 303 W HN 0.390 nan 8.180 nan 0.000 0.499 304 P HA 0.109 nan 4.420 nan 0.000 0.267 304 P C 0.592 177.767 177.300 -0.210 0.000 1.209 304 P CA 1.213 64.008 63.100 -0.509 0.000 0.763 304 P CB 0.899 32.088 31.700 -0.852 0.000 0.816 305 G N 2.068 110.818 108.800 -0.084 0.000 2.241 305 G HA2 -0.259 3.695 3.960 -0.009 0.000 0.244 305 G HA3 -0.259 3.695 3.960 -0.009 0.000 0.244 305 G C 0.467 175.404 174.900 0.062 0.000 0.998 305 G CA 0.201 45.301 45.100 0.000 0.000 0.621 305 G HN 0.781 nan 8.290 nan 0.000 0.519 306 S N 1.164 116.939 115.700 0.126 0.000 2.533 306 S HA 0.465 4.929 4.470 -0.009 0.000 0.282 306 S C 1.615 176.232 174.600 0.029 0.000 1.304 306 S CA 1.163 59.416 58.200 0.089 0.000 1.063 306 S CB 0.812 64.081 63.200 0.115 0.000 0.881 306 S HN 1.185 nan 8.310 nan 0.000 0.493 307 T N 3.620 118.180 114.554 0.010 0.000 3.163 307 T HA 0.305 4.650 4.350 -0.009 0.000 0.252 307 T C 0.500 175.192 174.700 -0.013 0.000 1.056 307 T CA -0.321 61.775 62.100 -0.006 0.000 0.947 307 T CB -0.499 68.364 68.868 -0.009 0.000 1.016 307 T HN 0.490 nan 8.240 nan 0.000 0.554 308 L N 3.106 124.321 121.223 -0.014 0.000 2.490 308 L HA 0.291 4.625 4.340 -0.009 0.000 0.274 308 L C -1.657 175.195 176.870 -0.029 0.000 1.201 308 L CA -1.967 52.858 54.840 -0.025 0.000 0.869 308 L CB 0.182 42.221 42.059 -0.035 0.000 1.123 308 L HN 0.114 nan 8.230 nan 0.000 0.484 309 P HA 0.026 nan 4.420 nan 0.000 0.271 309 P C -0.863 176.408 177.300 -0.047 0.000 1.238 309 P CA -0.210 62.869 63.100 -0.036 0.000 0.794 309 P CB 0.787 32.469 31.700 -0.031 0.000 0.959 310 V N 1.644 121.526 119.914 -0.053 0.000 2.407 310 V HA 0.132 4.246 4.120 -0.009 0.000 0.291 310 V C 0.254 176.305 176.094 -0.072 0.000 1.018 310 V CA -0.798 61.460 62.300 -0.071 0.000 0.842 310 V CB 1.884 33.661 31.823 -0.077 0.000 0.996 310 V HN 0.229 nan 8.190 nan 0.000 0.426 311 V N 5.238 125.102 119.914 -0.084 0.000 2.488 311 V HA 0.262 4.377 4.120 -0.009 0.000 0.277 311 V C 0.529 176.567 176.094 -0.093 0.000 1.046 311 V CA -0.424 61.833 62.300 -0.072 0.000 0.986 311 V CB 0.996 32.779 31.823 -0.068 0.000 0.989 311 V HN 0.774 nan 8.190 nan 0.000 0.475 312 E N 3.056 123.213 120.200 -0.071 0.000 2.349 312 E HA 0.216 4.560 4.350 -0.009 0.000 0.262 312 E C 1.070 177.621 176.600 -0.081 0.000 1.088 312 E CA -0.372 55.976 56.400 -0.087 0.000 0.899 312 E CB 1.826 31.493 29.700 -0.055 0.000 1.044 312 E HN 0.346 nan 8.360 nan 0.000 0.420 313 V N 1.755 121.597 119.914 -0.121 0.000 2.332 313 V HA -0.284 3.830 4.120 -0.009 0.000 0.248 313 V C 1.896 177.986 176.094 -0.005 0.000 1.055 313 V CA 1.902 64.124 62.300 -0.130 0.000 1.038 313 V CB -0.445 31.308 31.823 -0.118 0.000 0.651 313 V HN 0.687 nan 8.190 nan 0.000 0.450 314 D N 0.604 121.021 120.400 0.029 0.000 2.558 314 D HA -0.292 4.342 4.640 -0.009 0.000 0.190 314 D C 1.804 178.153 176.300 0.081 0.000 1.047 314 D CA 2.348 56.385 54.000 0.062 0.000 0.880 314 D CB -0.056 40.763 40.800 0.032 0.000 0.926 314 D HN 0.515 nan 8.370 nan 0.000 0.465 315 A N -0.554 122.302 122.820 0.060 0.000 2.308 315 A HA 0.249 4.564 4.320 -0.009 0.000 0.217 315 A C 0.924 178.579 177.584 0.117 0.000 1.216 315 A CA -0.257 51.825 52.037 0.075 0.000 0.864 315 A CB 0.102 19.129 19.000 0.045 0.000 0.902 315 A HN 0.194 nan 8.150 nan 0.000 0.499 316 L N 0.436 121.749 121.223 0.150 0.000 2.375 316 L HA 0.251 4.585 4.340 -0.009 0.000 0.271 316 L C 0.631 177.709 176.870 0.346 0.000 1.107 316 L CA -0.448 54.542 54.840 0.250 0.000 0.806 316 L CB 1.092 43.283 42.059 0.221 0.000 1.146 316 L HN 0.345 nan 8.230 nan 0.000 0.447 317 E N 3.669 124.070 120.200 0.336 0.000 2.299 317 E HA 0.063 4.407 4.350 -0.009 0.000 0.272 317 E C -0.541 176.242 176.600 0.306 0.000 1.043 317 E CA -0.392 56.169 56.400 0.269 0.000 0.895 317 E CB 0.723 30.545 29.700 0.202 0.000 1.011 317 E HN 0.370 nan 8.360 nan 0.000 0.432 318 R N 5.446 126.068 120.500 0.203 0.000 2.229 318 R HA 0.201 4.535 4.340 -0.009 0.000 0.332 318 R C 0.773 177.052 176.300 -0.035 0.000 0.989 318 R CA -0.322 55.798 56.100 0.033 0.000 0.842 318 R CB 0.539 30.849 30.300 0.017 0.000 1.119 318 R HN 0.664 nan 8.270 nan 0.000 0.456 319 L N 4.219 125.389 121.223 -0.089 0.000 2.416 319 L HA 0.228 4.563 4.340 -0.009 0.000 0.216 319 L C 0.717 177.531 176.870 -0.093 0.000 1.098 319 L CA 0.359 55.154 54.840 -0.076 0.000 0.840 319 L CB 0.012 42.026 42.059 -0.075 0.000 0.981 319 L HN 0.475 nan 8.230 nan 0.000 0.462 320 L N 0.000 121.134 121.223 -0.148 0.000 2.949 320 L HA 0.000 4.334 4.340 -0.009 0.000 0.249 320 L CA 0.000 54.765 54.840 -0.125 0.000 0.813 320 L CB 0.000 41.999 42.059 -0.101 0.000 0.961 320 L HN 0.000 nan 8.230 nan 0.000 0.502