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 3gcf_1_M DATA FIRST_RESID 16 DATA SEQUENCE SAQVKWPRYL EATLGFDNHW HPAAFDHELA EGEFVAVTML GEKVLLTRAK DATA SEQUENCE GEVKAIADGC AHRGVPFSKE PLCFKAGTVS CWYHGWTYDL DDGRLVDVLT DATA SEQUENCE SPGSPVIGKI GIKVYPVQVA QGVVFVFIGD EEPHALSEDL PPGFLDEDTH DATA SEQUENCE LLGIRRTVQS NWRLGVENGF DTTHIFMHRN SPWVSGNRLA FPYGFVPADR DATA SEQUENCE DAMQVYDENW PKGVLDRLSE NYMPVFEATL DGETVLSAEL TGEEKKVAAQ DATA SEQUENCE VSVWLPGVLK VDPFPDPTLI QYEFYVPISE TQHEYFQVLQ RKVEGPEDVK DATA SEQUENCE TFEVEFEERW RDDALHGFND DDVWAREAQQ EFYGERDGWS KEQLFPPDMC DATA SEQUENCE IVKWRTLASE RGRGVRA 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.408 174.600 -0.320 0.000 1.055 16 S CA 0.000 58.105 58.200 -0.158 0.000 1.107 16 S CB 0.000 63.144 63.200 -0.093 0.000 0.593 17 A N 0.606 123.199 122.820 -0.378 0.000 2.024 17 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 17 A C 2.085 179.234 177.584 -0.724 0.000 1.164 17 A CA 2.472 54.004 52.037 -0.842 0.000 0.643 17 A CB -1.253 17.542 19.000 -0.342 0.000 0.806 17 A HN 0.757 nan 8.150 nan 0.000 0.451 18 Q N 0.118 119.718 119.800 -0.333 0.000 2.291 18 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 18 Q C 1.535 177.412 176.000 -0.206 0.000 0.976 18 Q CA 1.944 57.623 55.803 -0.207 0.000 0.875 18 Q CB -0.414 28.259 28.738 -0.108 0.000 0.927 18 Q HN 0.734 nan 8.270 nan 0.000 0.450 19 V N -3.496 116.268 119.914 -0.251 0.000 3.578 19 V HA 0.384 4.504 4.120 -0.000 0.000 0.290 19 V C 1.492 177.456 176.094 -0.217 0.000 1.376 19 V CA 0.496 62.687 62.300 -0.182 0.000 1.083 19 V CB 0.336 32.080 31.823 -0.133 0.000 0.911 19 V HN -0.010 nan 8.190 nan 0.000 0.433 20 K N 1.199 121.356 120.400 -0.406 0.000 2.262 20 K HA 0.238 4.558 4.320 -0.000 0.000 0.200 20 K C 0.563 177.094 176.600 -0.115 0.000 1.058 20 K CA 1.305 57.372 56.287 -0.366 0.000 0.974 20 K CB 0.198 32.250 32.500 -0.746 0.000 0.910 20 K HN 0.832 nan 8.250 nan 0.000 0.484 21 W N -0.101 121.194 121.300 -0.009 0.000 1.290 21 W HA 0.454 5.114 4.660 -0.000 0.000 0.304 21 W C -2.359 174.176 176.519 0.026 0.000 0.858 21 W CA -1.791 55.547 57.345 -0.013 0.000 1.894 21 W CB -0.142 29.276 29.460 -0.071 0.000 1.934 21 W HN -0.131 nan 8.180 nan 0.000 0.472 22 P HA -0.235 nan 4.420 nan 0.000 0.215 22 P C 1.372 178.731 177.300 0.099 0.000 1.157 22 P CA 2.058 65.185 63.100 0.045 0.000 0.868 22 P CB 0.363 32.063 31.700 0.000 0.000 0.788 23 R N -1.739 118.854 120.500 0.155 0.000 2.148 23 R HA -0.130 4.210 4.340 -0.000 0.000 0.227 23 R C 2.583 179.028 176.300 0.243 0.000 1.103 23 R CA 1.001 57.219 56.100 0.196 0.000 0.983 23 R CB -0.933 29.516 30.300 0.248 0.000 0.874 23 R HN 0.257 nan 8.270 nan 0.000 0.451 24 Y N 1.620 122.005 120.300 0.142 0.000 2.200 24 Y HA -0.108 4.442 4.550 -0.000 0.000 0.290 24 Y C 1.980 177.762 175.900 -0.197 0.000 1.137 24 Y CA 1.252 59.373 58.100 0.035 0.000 1.163 24 Y CB -0.225 38.217 38.460 -0.029 0.000 0.988 24 Y HN -0.092 nan 8.280 nan 0.000 0.518 25 L N -0.163 121.004 121.223 -0.093 0.000 2.131 25 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 25 L C 2.135 178.822 176.870 -0.306 0.000 1.092 25 L CA 1.694 56.316 54.840 -0.362 0.000 0.759 25 L CB -0.490 41.481 42.059 -0.146 0.000 0.903 25 L HN 0.273 nan 8.230 nan 0.000 0.435 26 E N 0.338 120.451 120.200 -0.146 0.000 2.208 26 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 26 E C 1.435 177.962 176.600 -0.122 0.000 0.988 26 E CA 0.622 56.965 56.400 -0.095 0.000 0.828 26 E CB -0.033 29.655 29.700 -0.019 0.000 0.763 26 E HN 0.393 nan 8.360 nan 0.000 0.478 27 A N 1.426 124.125 122.820 -0.202 0.000 2.900 27 A HA 0.013 4.333 4.320 -0.000 0.000 0.246 27 A C 1.369 178.911 177.584 -0.069 0.000 1.725 27 A CA 0.221 52.109 52.037 -0.247 0.000 1.400 27 A CB -0.828 17.765 19.000 -0.679 0.000 0.973 27 A HN 0.070 nan 8.150 nan 0.000 0.635 28 T N -0.043 114.484 114.554 -0.045 0.000 2.759 28 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 28 T C 1.353 176.175 174.700 0.205 0.000 1.042 28 T CA 1.433 63.569 62.100 0.060 0.000 1.140 28 T CB -0.138 68.748 68.868 0.028 0.000 0.864 28 T HN 0.383 nan 8.240 nan 0.000 0.455 29 L N 0.453 121.714 121.223 0.062 0.000 2.653 29 L HA 0.447 4.787 4.340 -0.000 0.000 0.231 29 L C 0.985 177.707 176.870 -0.247 0.000 1.153 29 L CA 0.565 55.391 54.840 -0.024 0.000 0.933 29 L CB -0.894 41.142 42.059 -0.039 0.000 1.175 29 L HN 0.437 nan 8.230 nan 0.000 0.473 30 G N -1.519 107.069 108.800 -0.355 0.000 2.592 30 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.684 30 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.684 30 G C -0.837 173.740 174.900 -0.539 0.000 1.291 30 G CA -0.750 43.798 45.100 -0.919 0.000 0.891 30 G HN -0.102 nan 8.290 nan 0.000 0.544 31 F N 2.419 122.206 119.950 -0.272 0.000 2.385 31 F HA 0.468 4.995 4.527 -0.000 0.000 0.360 31 F C 0.803 176.696 175.800 0.155 0.000 1.122 31 F CA -0.471 57.562 58.000 0.055 0.000 1.090 31 F CB 1.498 40.605 39.000 0.178 0.000 1.150 31 F HN 0.666 nan 8.300 nan 0.000 0.472 32 D N 1.435 121.991 120.400 0.261 0.000 2.529 32 D HA 0.216 4.856 4.640 -0.000 0.000 0.273 32 D C -0.070 176.212 176.300 -0.030 0.000 1.197 32 D CA -0.593 53.462 54.000 0.091 0.000 1.070 32 D CB 0.476 41.260 40.800 -0.027 0.000 1.134 32 D HN 0.416 nan 8.370 nan 0.000 0.590 33 N N -0.466 118.037 118.700 -0.327 0.000 2.783 33 N HA -0.155 4.585 4.740 -0.000 0.000 0.247 33 N C -1.188 173.918 175.510 -0.672 0.000 1.089 33 N CA 0.622 53.381 53.050 -0.485 0.000 0.690 33 N CB -1.438 36.964 38.487 -0.143 0.000 0.991 33 N HN 0.535 nan 8.380 nan 0.000 0.552 34 H N -1.917 116.690 119.070 -0.770 0.000 3.016 34 H HA 0.247 4.803 4.556 -0.000 0.000 0.362 34 H C -0.348 174.577 175.328 -0.672 0.000 1.233 34 H CA -0.409 55.379 56.048 -0.434 0.000 1.124 34 H CB 0.612 30.241 29.762 -0.223 0.000 1.850 34 H HN 0.032 nan 8.280 nan 0.000 0.549 35 W N 1.915 123.119 121.300 -0.161 0.000 2.261 35 W HA 0.316 4.976 4.660 -0.000 0.000 0.323 35 W C 0.435 176.780 176.519 -0.291 0.000 1.243 35 W CA 0.239 57.525 57.345 -0.099 0.000 1.210 35 W CB 0.610 30.053 29.460 -0.029 0.000 1.149 35 W HN 0.318 nan 8.180 nan 0.000 0.562 36 H N 2.688 121.926 119.070 0.280 0.000 2.894 36 H HA 0.271 4.827 4.556 -0.000 0.000 0.367 36 H C -2.340 172.934 175.328 -0.091 0.000 1.144 36 H CA -1.802 54.300 56.048 0.090 0.000 1.180 36 H CB 2.151 31.891 29.762 -0.036 0.000 1.758 36 H HN 0.044 nan 8.280 nan 0.000 0.541 37 P HA 0.177 nan 4.420 nan 0.000 0.279 37 P C -0.185 176.722 177.300 -0.655 0.000 1.239 37 P CA -0.098 62.340 63.100 -1.103 0.000 0.789 37 P CB 1.651 32.032 31.700 -2.197 0.000 0.933 38 A N 2.342 124.926 122.820 -0.393 0.000 2.074 38 A HA 0.659 4.979 4.320 -0.000 0.000 0.200 38 A C 0.748 178.371 177.584 0.065 0.000 1.335 38 A CA 0.994 52.995 52.037 -0.060 0.000 0.922 38 A CB -0.023 18.929 19.000 -0.079 0.000 0.972 38 A HN 0.743 nan 8.150 nan 0.000 0.475 39 A N -1.802 120.953 122.820 -0.108 0.000 2.483 39 A HA 0.603 4.922 4.320 -0.000 0.000 0.294 39 A C -1.764 175.618 177.584 -0.336 0.000 1.077 39 A CA -0.667 51.310 52.037 -0.099 0.000 0.633 39 A CB -0.192 18.805 19.000 -0.006 0.000 1.318 39 A HN 0.276 nan 8.150 nan 0.000 0.455 40 F N 0.718 120.662 119.950 -0.010 0.000 2.399 40 F HA 0.363 4.890 4.527 -0.000 0.000 0.334 40 F C 1.423 177.187 175.800 -0.061 0.000 1.097 40 F CA 0.358 58.313 58.000 -0.075 0.000 1.076 40 F CB 1.477 40.430 39.000 -0.077 0.000 1.162 40 F HN 0.873 nan 8.300 nan 0.000 0.495 41 D N 0.720 121.155 120.400 0.058 0.000 2.133 41 D HA -0.225 4.415 4.640 -0.000 0.000 0.195 41 D C 1.738 178.150 176.300 0.186 0.000 0.997 41 D CA 1.859 55.900 54.000 0.067 0.000 0.840 41 D CB -0.092 40.726 40.800 0.031 0.000 0.947 41 D HN 0.676 nan 8.370 nan 0.000 0.452 42 H N -0.657 118.463 119.070 0.084 0.000 2.561 42 H HA 0.048 4.604 4.556 -0.000 0.000 0.278 42 H C 1.301 176.658 175.328 0.047 0.000 1.014 42 H CA 0.321 56.398 56.048 0.049 0.000 1.211 42 H CB 0.255 30.033 29.762 0.027 0.000 1.365 42 H HN 0.354 nan 8.280 nan 0.000 0.594 43 E N 0.597 120.908 120.200 0.186 0.000 2.435 43 E HA 0.045 4.395 4.350 -0.000 0.000 0.195 43 E C -0.189 176.459 176.600 0.079 0.000 1.029 43 E CA 0.222 56.696 56.400 0.123 0.000 0.865 43 E CB 0.488 30.265 29.700 0.128 0.000 0.833 43 E HN 0.367 nan 8.360 nan 0.000 0.510 44 L N 1.148 122.415 121.223 0.072 0.000 2.342 44 L HA 0.438 4.778 4.340 -0.000 0.000 0.276 44 L C -0.297 176.577 176.870 0.006 0.000 0.997 44 L CA -0.737 54.118 54.840 0.025 0.000 0.838 44 L CB 1.537 43.605 42.059 0.015 0.000 1.224 44 L HN -0.063 nan 8.230 nan 0.000 0.416 45 A N 2.226 125.034 122.820 -0.020 0.000 2.252 45 A HA 0.526 4.846 4.320 -0.000 0.000 0.305 45 A C -0.184 177.361 177.584 -0.065 0.000 1.097 45 A CA -0.480 51.538 52.037 -0.033 0.000 0.849 45 A CB 0.798 19.779 19.000 -0.032 0.000 1.142 45 A HN 0.645 nan 8.150 nan 0.000 0.499 46 E N -0.144 120.020 120.200 -0.061 0.000 2.452 46 E HA 0.347 4.696 4.350 -0.000 0.000 0.261 46 E C 1.229 177.755 176.600 -0.123 0.000 0.987 46 E CA 1.660 58.012 56.400 -0.080 0.000 0.926 46 E CB -0.090 29.578 29.700 -0.053 0.000 0.934 46 E HN 1.702 nan 8.360 nan 0.000 0.452 47 G N 3.361 112.045 108.800 -0.192 0.000 2.189 47 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.267 47 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.267 47 G C 0.315 174.954 174.900 -0.435 0.000 0.975 47 G CA 0.587 45.515 45.100 -0.286 0.000 0.644 47 G HN 0.608 nan 8.290 nan 0.000 0.537 48 E N -0.793 119.194 120.200 -0.354 0.000 2.318 48 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 48 E C -0.625 175.699 176.600 -0.461 0.000 1.069 48 E CA -0.805 55.429 56.400 -0.276 0.000 0.893 48 E CB 0.399 30.039 29.700 -0.100 0.000 1.076 48 E HN 0.088 nan 8.360 nan 0.000 0.414 49 F N 1.241 121.205 119.950 0.024 0.000 2.551 49 F HA 0.451 4.978 4.527 -0.000 0.000 0.316 49 F C -0.576 175.246 175.800 0.037 0.000 1.089 49 F CA -0.756 57.265 58.000 0.035 0.000 0.915 49 F CB 1.986 41.011 39.000 0.042 0.000 1.186 49 F HN 0.094 nan 8.300 nan 0.000 0.456 50 V N 2.435 122.491 119.914 0.237 0.000 2.569 50 V HA 0.752 4.872 4.120 -0.000 0.000 0.301 50 V C -0.591 175.584 176.094 0.135 0.000 1.044 50 V CA -0.953 61.435 62.300 0.146 0.000 0.874 50 V CB 1.656 33.536 31.823 0.094 0.000 1.002 50 V HN 0.914 nan 8.190 nan 0.000 0.424 51 A N 4.672 127.554 122.820 0.103 0.000 2.301 51 A HA 0.957 5.277 4.320 -0.000 0.000 0.312 51 A C -0.391 177.219 177.584 0.044 0.000 1.182 51 A CA -0.407 51.677 52.037 0.077 0.000 0.826 51 A CB 1.461 20.499 19.000 0.064 0.000 1.134 51 A HN 1.669 nan 8.150 nan 0.000 0.501 52 V N -0.621 119.308 119.914 0.026 0.000 3.114 52 V HA 0.894 5.014 4.120 -0.000 0.000 0.308 52 V C -0.557 175.528 176.094 -0.015 0.000 1.168 52 V CA -0.515 61.789 62.300 0.007 0.000 1.015 52 V CB 1.680 33.505 31.823 0.003 0.000 1.050 52 V HN 0.774 nan 8.190 nan 0.000 0.433 53 T N 4.510 119.055 114.554 -0.015 0.000 2.809 53 T HA 0.743 5.093 4.350 -0.000 0.000 0.284 53 T C -0.506 174.169 174.700 -0.043 0.000 0.992 53 T CA -0.230 61.852 62.100 -0.029 0.000 0.957 53 T CB 1.108 69.970 68.868 -0.010 0.000 0.942 53 T HN 0.769 nan 8.240 nan 0.000 0.439 54 M N 3.469 123.015 119.600 -0.091 0.000 2.259 54 M HA 0.407 4.887 4.480 -0.000 0.000 0.304 54 M C -0.495 175.709 176.300 -0.161 0.000 1.019 54 M CA -0.881 54.339 55.300 -0.134 0.000 0.922 54 M CB 1.917 34.408 32.600 -0.182 0.000 1.600 54 M HN 0.388 nan 8.290 nan 0.000 0.433 55 L N 2.982 124.091 121.223 -0.190 0.000 3.781 55 L HA -0.268 4.072 4.340 -0.000 0.000 0.426 55 L C 1.051 177.858 176.870 -0.105 0.000 1.197 55 L CA 1.483 56.206 54.840 -0.195 0.000 0.907 55 L CB -2.338 39.564 42.059 -0.262 0.000 1.812 55 L HN 1.223 nan 8.230 nan 0.000 0.956 56 G N -2.236 106.524 108.800 -0.066 0.000 2.176 56 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 56 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 56 G C 0.229 175.112 174.900 -0.028 0.000 0.979 56 G CA 0.350 45.430 45.100 -0.033 0.000 0.641 56 G HN 0.528 nan 8.290 nan 0.000 0.530 57 E N 0.801 120.975 120.200 -0.044 0.000 2.151 57 E HA 0.421 4.771 4.350 -0.000 0.000 0.275 57 E C -0.110 176.466 176.600 -0.040 0.000 0.936 57 E CA -0.713 55.673 56.400 -0.023 0.000 0.777 57 E CB 1.224 30.926 29.700 0.002 0.000 1.108 57 E HN 0.231 nan 8.360 nan 0.000 0.401 58 K N 2.077 122.468 120.400 -0.015 0.000 2.339 58 K HA 0.284 4.604 4.320 -0.000 0.000 0.286 58 K C -0.611 175.987 176.600 -0.003 0.000 1.050 58 K CA -0.226 56.051 56.287 -0.015 0.000 0.956 58 K CB 1.017 33.508 32.500 -0.014 0.000 0.990 58 K HN 0.192 nan 8.250 nan 0.000 0.475 59 V N 4.310 124.208 119.914 -0.026 0.000 2.656 59 V HA 0.320 4.440 4.120 -0.000 0.000 0.307 59 V C -0.840 175.288 176.094 0.056 0.000 1.051 59 V CA -1.086 61.202 62.300 -0.021 0.000 0.893 59 V CB 1.810 33.501 31.823 -0.220 0.000 0.999 59 V HN 0.545 nan 8.190 nan 0.000 0.426 60 L N 5.642 126.950 121.223 0.140 0.000 2.307 60 L HA 0.700 5.040 4.340 -0.000 0.000 0.284 60 L C -0.857 176.131 176.870 0.197 0.000 1.023 60 L CA 0.136 55.093 54.840 0.194 0.000 0.810 60 L CB 1.237 43.463 42.059 0.278 0.000 1.231 60 L HN 0.549 nan 8.230 nan 0.000 0.423 61 L N 4.238 125.577 121.223 0.194 0.000 2.342 61 L HA 0.822 5.162 4.340 -0.000 0.000 0.271 61 L C -0.112 176.851 176.870 0.155 0.000 1.008 61 L CA -0.502 54.428 54.840 0.149 0.000 0.818 61 L CB 2.069 44.180 42.059 0.087 0.000 1.296 61 L HN 0.661 nan 8.230 nan 0.000 0.427 62 T N 0.890 115.477 114.554 0.054 0.000 2.786 62 T HA 0.347 4.697 4.350 -0.000 0.000 0.316 62 T C -1.625 173.016 174.700 -0.098 0.000 1.503 62 T CA -0.692 61.330 62.100 -0.129 0.000 1.019 62 T CB 2.021 70.701 68.868 -0.315 0.000 1.415 62 T HN 0.650 nan 8.240 nan 0.000 0.496 63 R N 1.774 122.180 120.500 -0.156 0.000 2.310 63 R HA 0.761 5.101 4.340 -0.000 0.000 0.324 63 R C -1.103 175.139 176.300 -0.097 0.000 0.955 63 R CA -0.515 55.534 56.100 -0.086 0.000 0.830 63 R CB 0.871 31.131 30.300 -0.067 0.000 1.154 63 R HN 0.657 nan 8.270 nan 0.000 0.458 64 A N 4.253 127.043 122.820 -0.049 0.000 2.291 64 A HA 0.325 4.645 4.320 -0.000 0.000 0.311 64 A C -0.368 177.207 177.584 -0.014 0.000 1.224 64 A CA -0.643 51.373 52.037 -0.035 0.000 0.821 64 A CB 0.527 19.521 19.000 -0.011 0.000 1.172 64 A HN 0.947 nan 8.150 nan 0.000 0.494 65 K N 1.785 122.175 120.400 -0.016 0.000 3.096 65 K HA -0.235 4.085 4.320 -0.000 0.000 0.266 65 K C 1.041 177.639 176.600 -0.004 0.000 1.043 65 K CA 0.942 57.225 56.287 -0.006 0.000 0.758 65 K CB -1.898 30.604 32.500 0.003 0.000 1.260 65 K HN 2.308 nan 8.250 nan 0.000 0.481 66 G N -0.447 108.348 108.800 -0.009 0.000 2.267 66 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 66 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 66 G C -0.108 174.795 174.900 0.004 0.000 0.998 66 G CA 0.676 45.774 45.100 -0.003 0.000 0.620 66 G HN 0.470 nan 8.290 nan 0.000 0.529 67 E N 0.227 120.430 120.200 0.006 0.000 2.175 67 E HA 0.514 4.864 4.350 -0.000 0.000 0.278 67 E C 0.119 176.730 176.600 0.018 0.000 0.969 67 E CA -0.779 55.632 56.400 0.017 0.000 0.796 67 E CB 2.328 32.043 29.700 0.024 0.000 1.104 67 E HN 0.106 nan 8.360 nan 0.000 0.395 68 V N 4.583 124.515 119.914 0.029 0.000 2.572 68 V HA 0.078 4.198 4.120 -0.000 0.000 0.291 68 V C 0.269 176.398 176.094 0.059 0.000 1.039 68 V CA 0.209 62.531 62.300 0.035 0.000 1.055 68 V CB 0.445 32.293 31.823 0.041 0.000 0.969 68 V HN 0.518 nan 8.190 nan 0.000 0.482 69 K N 3.202 123.640 120.400 0.063 0.000 2.375 69 K HA 0.831 5.151 4.320 -0.000 0.000 0.249 69 K C -0.615 176.060 176.600 0.125 0.000 0.942 69 K CA -0.520 55.824 56.287 0.095 0.000 0.806 69 K CB 2.484 35.033 32.500 0.082 0.000 1.227 69 K HN 0.707 nan 8.250 nan 0.000 0.430 70 A N 3.185 126.106 122.820 0.168 0.000 2.343 70 A HA 0.760 5.079 4.320 -0.000 0.000 0.308 70 A C -1.028 176.746 177.584 0.317 0.000 1.092 70 A CA -0.720 51.445 52.037 0.213 0.000 0.751 70 A CB 0.739 19.854 19.000 0.192 0.000 1.203 70 A HN 0.748 nan 8.150 nan 0.000 0.452 71 I N 1.464 122.221 120.570 0.312 0.000 2.865 71 I HA 0.679 4.849 4.170 -0.000 0.000 0.302 71 I C 0.406 176.748 176.117 0.375 0.000 1.140 71 I CA -0.990 60.498 61.300 0.314 0.000 1.021 71 I CB 2.005 40.120 38.000 0.191 0.000 1.233 71 I HN 0.844 nan 8.210 nan 0.000 0.427 72 A N 3.711 126.746 122.820 0.357 0.000 2.567 72 A HA -0.002 4.318 4.320 -0.000 0.000 0.240 72 A C -0.021 177.678 177.584 0.191 0.000 1.053 72 A CA 0.296 52.506 52.037 0.288 0.000 0.755 72 A CB -0.173 18.909 19.000 0.137 0.000 0.978 72 A HN 0.689 nan 8.150 nan 0.000 0.507 73 D N 2.034 122.497 120.400 0.105 0.000 2.845 73 D HA 0.425 5.065 4.640 -0.000 0.000 0.235 73 D C 0.235 176.380 176.300 -0.259 0.000 1.158 73 D CA 0.966 54.974 54.000 0.014 0.000 0.990 73 D CB -0.494 40.337 40.800 0.052 0.000 1.094 73 D HN 0.721 nan 8.370 nan 0.000 0.486 74 G N 0.767 109.257 108.800 -0.516 0.000 2.659 74 G HA2 0.241 4.201 3.960 -0.000 0.000 0.291 74 G HA3 0.241 4.201 3.960 -0.000 0.000 0.291 74 G C -0.772 173.731 174.900 -0.661 0.000 1.379 74 G CA -0.684 44.089 45.100 -0.544 0.000 1.254 74 G HN 0.320 nan 8.290 nan 0.000 0.590 75 C N 2.612 121.464 119.300 -0.748 0.000 2.644 75 C HA 0.558 5.018 4.460 -0.000 0.000 0.417 75 C C 2.079 177.027 174.990 -0.071 0.000 1.304 75 C CA 0.507 59.353 59.018 -0.287 0.000 2.035 75 C CB 0.157 27.818 27.740 -0.132 0.000 2.673 75 C HN 1.103 nan 8.230 nan 0.000 0.602 76 A N 3.157 126.080 122.820 0.172 0.000 2.066 76 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 76 A C 2.078 179.684 177.584 0.037 0.000 1.157 76 A CA 1.679 53.825 52.037 0.180 0.000 0.670 76 A CB -0.912 18.343 19.000 0.425 0.000 0.804 76 A HN 1.072 nan 8.150 nan 0.000 0.453 77 H N -0.373 118.445 119.070 -0.419 0.000 2.300 77 H HA 0.067 4.623 4.556 -0.000 0.000 0.302 77 H C 1.076 176.157 175.328 -0.412 0.000 1.049 77 H CA 1.271 56.807 56.048 -0.854 0.000 1.254 77 H CB 0.080 28.867 29.762 -1.626 0.000 1.396 77 H HN 0.344 nan 8.280 nan 0.000 0.518 78 R N -0.533 119.662 120.500 -0.508 0.000 2.613 78 R HA 0.149 4.489 4.340 -0.000 0.000 0.361 78 R C 0.646 176.822 176.300 -0.205 0.000 1.072 78 R CA 0.404 56.270 56.100 -0.388 0.000 1.089 78 R CB 1.307 31.362 30.300 -0.408 0.000 1.343 78 R HN 0.690 nan 8.270 nan 0.000 0.571 79 G N 1.491 110.178 108.800 -0.188 0.000 2.166 79 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 79 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 79 G C 0.461 175.252 174.900 -0.182 0.000 0.986 79 G CA 0.585 45.587 45.100 -0.164 0.000 0.683 79 G HN 0.299 nan 8.290 nan 0.000 0.527 80 V N -2.234 117.556 119.914 -0.207 0.000 2.924 80 V HA 0.662 4.782 4.120 -0.000 0.000 0.305 80 V C -1.728 174.224 176.094 -0.237 0.000 1.073 80 V CA -2.056 60.155 62.300 -0.150 0.000 1.098 80 V CB 1.187 32.923 31.823 -0.145 0.000 1.000 80 V HN 0.070 nan 8.190 nan 0.000 0.484 81 P HA 0.370 nan 4.420 nan 0.000 0.286 81 P C -0.108 177.238 177.300 0.076 0.000 1.269 81 P CA -0.251 62.780 63.100 -0.116 0.000 0.787 81 P CB 0.523 32.218 31.700 -0.007 0.000 0.920 82 F N 0.855 120.891 119.950 0.144 0.000 2.216 82 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 82 F C 2.364 178.247 175.800 0.139 0.000 1.085 82 F CA 1.677 59.783 58.000 0.177 0.000 1.326 82 F CB -1.722 37.294 39.000 0.027 0.000 1.027 82 F HN 0.266 nan 8.300 nan 0.000 0.497 83 S N -0.225 115.594 115.700 0.199 0.000 2.493 83 S HA -0.181 4.289 4.470 -0.000 0.000 0.243 83 S C 1.851 176.450 174.600 -0.002 0.000 0.991 83 S CA 0.719 58.955 58.200 0.061 0.000 0.957 83 S CB -0.444 62.788 63.200 0.053 0.000 0.756 83 S HN 0.272 nan 8.310 nan 0.000 0.521 84 K N 1.176 121.576 120.400 -0.000 0.000 2.148 84 K HA 0.068 4.388 4.320 -0.000 0.000 0.204 84 K C 0.949 177.337 176.600 -0.353 0.000 1.050 84 K CA 1.042 57.192 56.287 -0.229 0.000 0.942 84 K CB -0.153 32.086 32.500 -0.434 0.000 0.724 84 K HN 0.761 nan 8.250 nan 0.000 0.446 85 E N 0.227 120.265 120.200 -0.269 0.000 2.829 85 E HA 0.096 4.446 4.350 -0.000 0.000 0.369 85 E C -2.793 173.811 176.600 0.007 0.000 1.097 85 E CA -0.994 55.291 56.400 -0.192 0.000 0.822 85 E CB 0.943 30.429 29.700 -0.358 0.000 1.502 85 E HN -0.138 nan 8.360 nan 0.000 0.387 86 P HA 0.076 nan 4.420 nan 0.000 0.267 86 P C -0.502 176.556 177.300 -0.404 0.000 1.205 86 P CA 0.213 63.034 63.100 -0.465 0.000 0.765 86 P CB 0.816 31.796 31.700 -1.200 0.000 0.828 87 L N 3.485 124.546 121.223 -0.271 0.000 2.370 87 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 87 L C -0.125 176.640 176.870 -0.175 0.000 1.002 87 L CA -0.848 53.867 54.840 -0.209 0.000 0.818 87 L CB 2.391 44.371 42.059 -0.131 0.000 1.325 87 L HN 0.454 nan 8.230 nan 0.000 0.418 88 C N 2.013 121.133 119.300 -0.301 0.000 2.620 88 C HA 0.500 4.960 4.460 -0.000 0.000 0.356 88 C C 0.074 174.842 174.990 -0.369 0.000 1.082 88 C CA -0.427 58.498 59.018 -0.155 0.000 1.293 88 C CB 0.256 28.065 27.740 0.114 0.000 1.836 88 C HN 0.793 nan 8.230 nan 0.000 0.453 89 F N 3.084 123.090 119.950 0.093 0.000 2.678 89 F HA 0.433 4.960 4.527 -0.000 0.000 0.305 89 F C 1.000 176.830 175.800 0.050 0.000 1.090 89 F CA 0.069 58.109 58.000 0.067 0.000 1.272 89 F CB 0.196 39.230 39.000 0.056 0.000 1.060 89 F HN 0.572 nan 8.300 nan 0.000 0.576 90 K N 0.860 121.356 120.400 0.159 0.000 2.610 90 K HA 0.537 4.857 4.320 -0.000 0.000 0.274 90 K C -0.885 175.757 176.600 0.069 0.000 1.049 90 K CA -0.479 55.872 56.287 0.107 0.000 0.945 90 K CB 1.045 33.610 32.500 0.108 0.000 1.313 90 K HN -0.065 nan 8.250 nan 0.000 0.463 91 A N 2.225 125.070 122.820 0.042 0.000 2.580 91 A HA 0.363 4.683 4.320 -0.000 0.000 0.244 91 A C 1.260 178.863 177.584 0.032 0.000 1.045 91 A CA 1.674 53.724 52.037 0.022 0.000 0.761 91 A CB -0.643 18.361 19.000 0.007 0.000 0.962 91 A HN 1.448 nan 8.150 nan 0.000 0.512 92 G N 1.420 110.240 108.800 0.034 0.000 2.201 92 G HA2 0.008 3.968 3.960 -0.000 0.000 0.212 92 G HA3 0.008 3.968 3.960 -0.000 0.000 0.212 92 G C 0.400 175.337 174.900 0.062 0.000 0.994 92 G CA 0.677 45.803 45.100 0.043 0.000 0.644 92 G HN 2.414 nan 8.290 nan 0.000 0.508 93 T N -2.842 111.756 114.554 0.073 0.000 2.865 93 T HA 0.812 5.162 4.350 -0.000 0.000 0.294 93 T C -0.916 173.842 174.700 0.098 0.000 1.119 93 T CA -0.261 61.893 62.100 0.090 0.000 1.007 93 T CB 2.809 71.732 68.868 0.092 0.000 1.225 93 T HN 1.576 nan 8.240 nan 0.000 0.515 94 V N 0.482 120.443 119.914 0.079 0.000 2.760 94 V HA 0.744 4.864 4.120 -0.000 0.000 0.309 94 V C -1.153 174.933 176.094 -0.014 0.000 1.077 94 V CA -0.385 61.914 62.300 -0.002 0.000 0.910 94 V CB 2.301 34.030 31.823 -0.157 0.000 1.008 94 V HN 1.165 nan 8.190 nan 0.000 0.424 95 S N 4.975 120.678 115.700 0.005 0.000 2.478 95 S HA 0.395 4.865 4.470 -0.000 0.000 0.312 95 S C -0.400 174.276 174.600 0.126 0.000 1.094 95 S CA -0.358 57.925 58.200 0.138 0.000 1.081 95 S CB 1.209 64.623 63.200 0.357 0.000 1.007 95 S HN 1.083 nan 8.310 nan 0.000 0.475 96 C N 6.178 125.619 119.300 0.234 0.000 2.653 96 C HA 0.182 4.642 4.460 -0.000 0.000 0.421 96 C C 1.972 177.081 174.990 0.198 0.000 1.334 96 C CA -0.518 58.685 59.018 0.307 0.000 1.885 96 C CB -0.693 27.284 27.740 0.395 0.000 2.645 96 C HN 1.053 nan 8.230 nan 0.000 0.601 97 W N 4.593 126.068 121.300 0.291 0.000 2.595 97 W HA -0.032 4.628 4.660 -0.000 0.000 0.257 97 W C 1.358 178.020 176.519 0.238 0.000 1.267 97 W CA 0.276 57.748 57.345 0.213 0.000 1.300 97 W CB -1.147 28.389 29.460 0.126 0.000 1.120 97 W HN 0.824 nan 8.180 nan 0.000 0.618 98 Y N 2.087 122.040 120.300 -0.578 0.000 2.163 98 Y HA -0.068 4.482 4.550 -0.000 0.000 0.288 98 Y C 1.524 177.148 175.900 -0.460 0.000 1.112 98 Y CA 1.707 59.450 58.100 -0.595 0.000 1.104 98 Y CB -0.887 36.958 38.460 -1.025 0.000 1.016 98 Y HN -0.037 nan 8.280 nan 0.000 0.497 99 H N -1.533 117.501 119.070 -0.060 0.000 2.785 99 H HA 0.368 4.924 4.556 -0.000 0.000 0.268 99 H C 1.348 176.756 175.328 0.132 0.000 1.153 99 H CA 0.267 56.295 56.048 -0.034 0.000 1.111 99 H CB 0.489 30.163 29.762 -0.146 0.000 1.633 99 H HN 0.375 nan 8.280 nan 0.000 0.576 100 G N 0.162 109.110 108.800 0.246 0.000 2.155 100 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 100 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 100 G C -0.331 174.752 174.900 0.305 0.000 0.983 100 G CA -0.173 45.080 45.100 0.255 0.000 0.676 100 G HN 0.229 nan 8.290 nan 0.000 0.528 101 W N 1.158 122.479 121.300 0.035 0.000 2.264 101 W HA 0.509 5.169 4.660 -0.000 0.000 0.331 101 W C 0.799 177.230 176.519 -0.146 0.000 1.364 101 W CA 0.493 57.774 57.345 -0.107 0.000 1.253 101 W CB 0.318 29.732 29.460 -0.077 0.000 1.215 101 W HN 0.067 nan 8.180 nan 0.000 0.561 102 T N 4.779 119.246 114.554 -0.145 0.000 2.807 102 T HA 0.489 4.839 4.350 -0.000 0.000 0.279 102 T C -1.146 173.375 174.700 -0.299 0.000 0.993 102 T CA -0.450 61.589 62.100 -0.102 0.000 0.970 102 T CB 0.771 69.638 68.868 -0.002 0.000 0.950 102 T HN 0.018 nan 8.240 nan 0.000 0.441 103 Y N 0.585 120.896 120.300 0.019 0.000 2.468 103 Y HA 0.433 4.983 4.550 -0.000 0.000 0.342 103 Y C 0.331 176.240 175.900 0.014 0.000 1.021 103 Y CA -1.505 56.610 58.100 0.025 0.000 1.079 103 Y CB 0.994 39.482 38.460 0.047 0.000 1.226 103 Y HN 0.480 nan 8.280 nan 0.000 0.460 104 D N 2.133 122.639 120.400 0.176 0.000 2.317 104 D HA 0.127 4.767 4.640 -0.000 0.000 0.252 104 D C 0.736 177.105 176.300 0.115 0.000 1.174 104 D CA 0.246 54.311 54.000 0.108 0.000 0.866 104 D CB 1.167 42.010 40.800 0.071 0.000 1.127 104 D HN 0.677 nan 8.370 nan 0.000 0.467 105 L N 2.904 124.184 121.223 0.094 0.000 2.275 105 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 105 L C 1.490 178.404 176.870 0.073 0.000 1.119 105 L CA 0.679 55.572 54.840 0.088 0.000 0.790 105 L CB -0.048 42.059 42.059 0.081 0.000 0.919 105 L HN 0.375 nan 8.230 nan 0.000 0.443 106 D N 0.195 120.631 120.400 0.060 0.000 2.224 106 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 106 D C 1.027 177.350 176.300 0.039 0.000 0.965 106 D CA 1.367 55.395 54.000 0.046 0.000 0.852 106 D CB 0.077 40.899 40.800 0.036 0.000 0.947 106 D HN 0.576 nan 8.370 nan 0.000 0.494 107 D N -2.688 117.739 120.400 0.045 0.000 2.516 107 D HA 0.163 4.803 4.640 -0.000 0.000 0.241 107 D C 1.428 177.759 176.300 0.051 0.000 1.246 107 D CA 0.456 54.476 54.000 0.034 0.000 0.808 107 D CB -0.085 40.731 40.800 0.027 0.000 1.147 107 D HN 0.063 nan 8.370 nan 0.000 0.527 108 G N 0.838 109.688 108.800 0.084 0.000 2.175 108 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 108 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 108 G C 0.300 175.338 174.900 0.230 0.000 0.979 108 G CA 0.167 45.345 45.100 0.130 0.000 0.663 108 G HN 0.365 nan 8.290 nan 0.000 0.533 109 R N -0.603 119.995 120.500 0.164 0.000 2.641 109 R HA 0.366 4.706 4.340 -0.000 0.000 0.269 109 R C 0.379 176.754 176.300 0.126 0.000 1.074 109 R CA -0.720 55.463 56.100 0.138 0.000 1.133 109 R CB 0.801 31.133 30.300 0.053 0.000 1.029 109 R HN 0.306 nan 8.270 nan 0.000 0.488 110 L N 3.500 124.730 121.223 0.012 0.000 2.315 110 L HA 0.035 4.375 4.340 -0.000 0.000 0.283 110 L C 0.820 177.561 176.870 -0.215 0.000 1.089 110 L CA 0.279 54.959 54.840 -0.266 0.000 0.833 110 L CB 1.051 42.886 42.059 -0.373 0.000 1.170 110 L HN 0.550 nan 8.230 nan 0.000 0.442 111 V N 0.159 119.953 119.914 -0.200 0.000 3.605 111 V HA 0.538 4.658 4.120 -0.000 0.000 0.284 111 V C 0.187 176.186 176.094 -0.159 0.000 1.386 111 V CA 0.050 62.266 62.300 -0.139 0.000 1.053 111 V CB -0.020 31.763 31.823 -0.067 0.000 0.857 111 V HN 0.765 nan 8.190 nan 0.000 0.436 112 D N -0.807 119.462 120.400 -0.219 0.000 2.683 112 D HA 0.493 5.133 4.640 -0.000 0.000 0.246 112 D C -1.739 174.406 176.300 -0.259 0.000 1.238 112 D CA -0.130 53.753 54.000 -0.195 0.000 0.759 112 D CB 3.148 43.883 40.800 -0.108 0.000 1.349 112 D HN -0.056 nan 8.370 nan 0.000 0.426 113 V N 2.892 122.669 119.914 -0.228 0.000 2.445 113 V HA 0.167 4.287 4.120 -0.000 0.000 0.283 113 V C 1.499 177.539 176.094 -0.089 0.000 1.014 113 V CA -0.444 61.729 62.300 -0.211 0.000 0.852 113 V CB 1.373 32.986 31.823 -0.351 0.000 1.021 113 V HN 0.532 nan 8.190 nan 0.000 0.435 114 L N 2.554 123.761 121.223 -0.026 0.000 2.187 114 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 114 L C 2.348 179.204 176.870 -0.024 0.000 1.100 114 L CA 2.091 56.908 54.840 -0.038 0.000 0.765 114 L CB -0.469 41.565 42.059 -0.041 0.000 0.904 114 L HN 0.873 nan 8.230 nan 0.000 0.437 115 T N -5.901 108.666 114.554 0.021 0.000 3.086 115 T HA 0.075 4.425 4.350 -0.000 0.000 0.250 115 T C 0.783 175.486 174.700 0.005 0.000 1.074 115 T CA 0.150 62.266 62.100 0.027 0.000 0.988 115 T CB 0.358 69.274 68.868 0.081 0.000 0.988 115 T HN 0.098 nan 8.240 nan 0.000 0.530 116 S N 2.102 117.784 115.700 -0.030 0.000 2.680 116 S HA 0.419 4.889 4.470 -0.000 0.000 0.140 116 S C -3.110 171.440 174.600 -0.084 0.000 1.357 116 S CA -0.995 57.173 58.200 -0.052 0.000 1.201 116 S CB 0.295 63.462 63.200 -0.056 0.000 1.547 116 S HN 0.054 nan 8.310 nan 0.000 0.411 117 P HA 0.181 nan 4.420 nan 0.000 0.259 117 P C 0.985 178.235 177.300 -0.084 0.000 1.163 117 P CA 1.627 64.681 63.100 -0.077 0.000 0.760 117 P CB 0.206 31.871 31.700 -0.058 0.000 0.762 118 G N 2.205 110.946 108.800 -0.098 0.000 2.168 118 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 118 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 118 G C 0.518 175.350 174.900 -0.112 0.000 0.997 118 G CA 0.276 45.318 45.100 -0.097 0.000 0.708 118 G HN 0.766 nan 8.290 nan 0.000 0.520 119 S N 0.882 116.496 115.700 -0.143 0.000 2.558 119 S HA 0.311 4.781 4.470 -0.000 0.000 0.293 119 S C 0.350 174.849 174.600 -0.168 0.000 1.292 119 S CA -0.058 58.046 58.200 -0.160 0.000 1.063 119 S CB 0.920 63.984 63.200 -0.226 0.000 0.831 119 S HN 0.278 nan 8.310 nan 0.000 0.499 120 P HA -0.062 nan 4.420 nan 0.000 0.228 120 P C 1.306 178.521 177.300 -0.141 0.000 1.151 120 P CA 0.902 63.933 63.100 -0.115 0.000 0.770 120 P CB -0.365 31.288 31.700 -0.079 0.000 0.786 121 V N -3.525 116.267 119.914 -0.205 0.000 3.041 121 V HA 0.039 4.159 4.120 -0.000 0.000 0.260 121 V C 1.383 177.301 176.094 -0.294 0.000 1.105 121 V CA 0.090 62.243 62.300 -0.244 0.000 1.125 121 V CB -1.308 30.307 31.823 -0.346 0.000 0.730 121 V HN -0.131 nan 8.190 nan 0.000 0.479 122 I N 2.788 123.174 120.570 -0.306 0.000 2.741 122 I HA 0.341 4.511 4.170 -0.000 0.000 0.288 122 I C 1.579 177.587 176.117 -0.181 0.000 1.192 122 I CA 1.535 62.666 61.300 -0.281 0.000 1.426 122 I CB 0.021 37.877 38.000 -0.240 0.000 1.367 122 I HN 0.517 nan 8.210 nan 0.000 0.563 123 G N 5.037 113.743 108.800 -0.158 0.000 2.176 123 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 123 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 123 G C 0.801 175.660 174.900 -0.068 0.000 0.979 123 G CA 0.169 45.213 45.100 -0.094 0.000 0.641 123 G HN 0.678 nan 8.290 nan 0.000 0.530 124 K N -0.640 119.710 120.400 -0.083 0.000 2.374 124 K HA 0.516 4.836 4.320 -0.000 0.000 0.202 124 K C 0.598 177.191 176.600 -0.012 0.000 1.040 124 K CA 0.114 56.374 56.287 -0.045 0.000 1.085 124 K CB 0.879 33.347 32.500 -0.053 0.000 0.873 124 K HN 0.439 nan 8.250 nan 0.000 0.539 125 I N -0.132 120.430 120.570 -0.013 0.000 2.828 125 I HA 0.482 4.652 4.170 -0.000 0.000 0.302 125 I C -0.406 175.789 176.117 0.129 0.000 1.101 125 I CA -1.129 60.216 61.300 0.075 0.000 1.031 125 I CB 2.465 40.533 38.000 0.114 0.000 1.231 125 I HN -0.027 nan 8.210 nan 0.000 0.427 126 G N 4.157 113.078 108.800 0.202 0.000 2.667 126 G HA2 0.649 4.609 3.960 -0.000 0.000 0.294 126 G HA3 0.649 4.609 3.960 -0.000 0.000 0.294 126 G C -1.403 173.620 174.900 0.205 0.000 1.467 126 G CA -0.584 44.659 45.100 0.239 0.000 0.852 126 G HN 0.679 nan 8.290 nan 0.000 0.521 127 I N -1.941 118.729 120.570 0.167 0.000 3.133 127 I HA 0.838 5.008 4.170 -0.000 0.000 0.311 127 I C -0.125 175.981 176.117 -0.019 0.000 1.072 127 I CA -1.505 59.819 61.300 0.039 0.000 1.015 127 I CB 2.026 39.983 38.000 -0.072 0.000 1.233 127 I HN 0.392 nan 8.210 nan 0.000 0.473 128 K N 2.569 122.920 120.400 -0.082 0.000 2.368 128 K HA 0.431 4.751 4.320 -0.000 0.000 0.282 128 K C -0.879 175.545 176.600 -0.294 0.000 1.035 128 K CA -0.259 55.892 56.287 -0.226 0.000 0.973 128 K CB 0.669 32.970 32.500 -0.331 0.000 0.957 128 K HN 0.605 nan 8.250 nan 0.000 0.474 129 V N 2.005 121.735 119.914 -0.306 0.000 2.715 129 V HA 0.599 4.719 4.120 -0.000 0.000 0.310 129 V C -1.128 174.778 176.094 -0.313 0.000 1.054 129 V CA -0.994 61.200 62.300 -0.176 0.000 0.928 129 V CB 0.966 32.775 31.823 -0.022 0.000 1.007 129 V HN 0.635 nan 8.190 nan 0.000 0.437 130 Y N 2.067 122.392 120.300 0.041 0.000 2.429 130 Y HA 0.689 5.239 4.550 -0.000 0.000 0.342 130 Y C -2.416 173.511 175.900 0.046 0.000 1.004 130 Y CA -2.889 55.230 58.100 0.032 0.000 1.075 130 Y CB 1.577 40.054 38.460 0.028 0.000 1.214 130 Y HN 0.458 nan 8.280 nan 0.000 0.455 131 P HA 0.136 nan 4.420 nan 0.000 0.268 131 P C -1.046 176.436 177.300 0.304 0.000 1.204 131 P CA 0.032 63.215 63.100 0.139 0.000 0.768 131 P CB 0.706 32.376 31.700 -0.050 0.000 0.842 132 V N 3.870 124.007 119.914 0.372 0.000 2.656 132 V HA 0.494 4.614 4.120 -0.000 0.000 0.307 132 V C -0.270 176.030 176.094 0.344 0.000 1.051 132 V CA -0.424 62.129 62.300 0.422 0.000 0.893 132 V CB 1.828 33.791 31.823 0.232 0.000 0.999 132 V HN 0.472 nan 8.190 nan 0.000 0.426 133 Q N 2.669 122.618 119.800 0.249 0.000 2.285 133 Q HA 0.667 5.007 4.340 -0.000 0.000 0.269 133 Q C -2.010 174.015 176.000 0.040 0.000 1.030 133 Q CA -0.443 55.337 55.803 -0.038 0.000 0.788 133 Q CB 2.452 30.894 28.738 -0.494 0.000 1.266 133 Q HN 0.577 nan 8.270 nan 0.000 0.438 134 V N 2.397 122.330 119.914 0.032 0.000 2.394 134 V HA 0.896 5.016 4.120 -0.000 0.000 0.282 134 V C -0.455 175.670 176.094 0.052 0.000 1.031 134 V CA -0.280 62.057 62.300 0.063 0.000 0.881 134 V CB 1.128 32.969 31.823 0.031 0.000 0.982 134 V HN 0.818 nan 8.190 nan 0.000 0.451 135 A N 3.782 126.688 122.820 0.142 0.000 2.488 135 A HA 0.683 5.003 4.320 -0.000 0.000 0.298 135 A C -0.127 177.541 177.584 0.140 0.000 1.044 135 A CA -0.457 51.640 52.037 0.100 0.000 0.693 135 A CB 1.652 20.674 19.000 0.036 0.000 1.272 135 A HN 0.752 nan 8.150 nan 0.000 0.402 136 Q N 0.597 120.392 119.800 -0.008 0.000 2.461 136 Q HA -0.254 4.086 4.340 -0.000 0.000 0.273 136 Q C 1.052 176.982 176.000 -0.116 0.000 1.163 136 Q CA 2.103 57.832 55.803 -0.123 0.000 0.929 136 Q CB -2.122 26.464 28.738 -0.255 0.000 1.334 136 Q HN 2.649 nan 8.270 nan 0.000 0.499 137 G N -2.224 106.523 108.800 -0.088 0.000 2.162 137 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 137 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 137 G C 0.161 175.029 174.900 -0.054 0.000 0.976 137 G CA 0.261 45.288 45.100 -0.121 0.000 0.655 137 G HN 0.414 nan 8.290 nan 0.000 0.533 138 V N 0.709 120.571 119.914 -0.088 0.000 2.459 138 V HA 0.588 4.708 4.120 -0.000 0.000 0.295 138 V C 0.610 176.442 176.094 -0.435 0.000 1.029 138 V CA -0.903 61.165 62.300 -0.388 0.000 0.874 138 V CB 2.039 33.481 31.823 -0.634 0.000 0.985 138 V HN 0.217 nan 8.190 nan 0.000 0.438 139 V N 5.597 125.215 119.914 -0.493 0.000 2.389 139 V HA 0.370 4.490 4.120 -0.000 0.000 0.264 139 V C -0.364 175.452 176.094 -0.462 0.000 1.049 139 V CA -0.026 62.095 62.300 -0.299 0.000 0.932 139 V CB 0.158 31.883 31.823 -0.163 0.000 1.011 139 V HN 0.607 nan 8.190 nan 0.000 0.475 140 F N 3.998 123.886 119.950 -0.103 0.000 2.450 140 F HA 0.699 5.226 4.527 -0.000 0.000 0.332 140 F C 0.143 176.117 175.800 0.291 0.000 1.093 140 F CA -0.691 57.309 58.000 0.000 0.000 1.003 140 F CB 1.991 40.946 39.000 -0.075 0.000 1.151 140 F HN 0.324 nan 8.300 nan 0.000 0.474 141 V N 4.311 124.515 119.914 0.483 0.000 2.709 141 V HA 0.513 4.633 4.120 -0.000 0.000 0.308 141 V C -1.610 174.576 176.094 0.153 0.000 1.062 141 V CA -0.913 61.595 62.300 0.346 0.000 0.901 141 V CB 1.630 33.501 31.823 0.080 0.000 1.003 141 V HN 0.588 nan 8.190 nan 0.000 0.425 142 F N 7.703 127.396 119.950 -0.428 0.000 2.421 142 F HA 0.602 5.129 4.527 -0.000 0.000 0.358 142 F C -0.017 175.641 175.800 -0.236 0.000 1.115 142 F CA -0.656 56.878 58.000 -0.778 0.000 1.160 142 F CB 0.667 38.806 39.000 -1.435 0.000 1.123 142 F HN 0.378 nan 8.300 nan 0.000 0.508 143 I N 5.735 125.998 120.570 -0.512 0.000 2.336 143 I HA 0.665 4.835 4.170 -0.000 0.000 0.292 143 I C 0.423 176.298 176.117 -0.402 0.000 0.991 143 I CA -0.331 60.830 61.300 -0.232 0.000 1.227 143 I CB 0.451 38.357 38.000 -0.158 0.000 1.366 143 I HN 0.731 nan 8.210 nan 0.000 0.466 144 G N 5.837 114.558 108.800 -0.132 0.000 2.353 144 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.308 144 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.308 144 G C -0.066 174.848 174.900 0.024 0.000 1.418 144 G CA -0.207 44.830 45.100 -0.105 0.000 0.966 144 G HN 0.585 nan 8.290 nan 0.000 0.638 145 D N -0.509 119.908 120.400 0.027 0.000 2.323 145 D HA 0.016 4.656 4.640 -0.000 0.000 0.209 145 D C 0.605 176.933 176.300 0.047 0.000 0.973 145 D CA 0.790 54.806 54.000 0.028 0.000 0.874 145 D CB 0.482 41.291 40.800 0.015 0.000 0.930 145 D HN 0.649 nan 8.370 nan 0.000 0.521 146 E N 1.083 121.341 120.200 0.097 0.000 2.351 146 E HA 0.160 4.510 4.350 -0.000 0.000 0.255 146 E C 0.285 176.904 176.600 0.031 0.000 1.188 146 E CA -0.648 55.798 56.400 0.076 0.000 0.940 146 E CB 0.861 30.617 29.700 0.093 0.000 1.094 146 E HN 0.327 nan 8.360 nan 0.000 0.474 147 E N 1.466 121.610 120.200 -0.093 0.000 2.390 147 E HA 0.191 4.541 4.350 -0.000 0.000 0.261 147 E C -2.200 174.040 176.600 -0.600 0.000 1.076 147 E CA -1.826 54.425 56.400 -0.248 0.000 0.905 147 E CB 0.178 29.779 29.700 -0.165 0.000 0.984 147 E HN 0.125 nan 8.360 nan 0.000 0.427 148 P HA 0.031 nan 4.420 nan 0.000 0.275 148 P C -0.662 176.196 177.300 -0.738 0.000 1.228 148 P CA 0.000 62.050 63.100 -1.750 0.000 0.786 148 P CB 0.646 31.450 31.700 -1.494 0.000 0.927 149 H N 0.566 119.394 119.070 -0.404 0.000 2.669 149 H HA 0.622 5.178 4.556 -0.000 0.000 0.318 149 H C -0.197 175.189 175.328 0.097 0.000 1.429 149 H CA -1.212 54.770 56.048 -0.109 0.000 1.460 149 H CB 0.317 30.003 29.762 -0.125 0.000 1.784 149 H HN 0.484 nan 8.280 nan 0.000 0.750 150 A N 1.177 124.136 122.820 0.232 0.000 2.511 150 A HA 0.051 4.371 4.320 -0.000 0.000 0.242 150 A C 1.354 178.980 177.584 0.071 0.000 1.069 150 A CA -0.379 51.714 52.037 0.093 0.000 0.763 150 A CB -0.115 18.893 19.000 0.013 0.000 1.001 150 A HN 0.681 nan 8.150 nan 0.000 0.498 151 L N 3.660 124.678 121.223 -0.341 0.000 2.127 151 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 151 L C 2.575 179.206 176.870 -0.397 0.000 1.089 151 L CA 2.975 57.367 54.840 -0.747 0.000 0.757 151 L CB -0.700 40.656 42.059 -1.172 0.000 0.899 151 L HN 0.874 nan 8.230 nan 0.000 0.434 152 S N -1.401 114.142 115.700 -0.262 0.000 2.442 152 S HA -0.182 4.288 4.470 -0.000 0.000 0.236 152 S C 1.617 176.159 174.600 -0.096 0.000 1.007 152 S CA 1.144 59.231 58.200 -0.188 0.000 0.965 152 S CB -0.744 62.378 63.200 -0.131 0.000 0.773 152 S HN 0.704 nan 8.310 nan 0.000 0.504 153 E N 0.900 121.086 120.200 -0.022 0.000 2.427 153 E HA -0.019 4.331 4.350 -0.000 0.000 0.196 153 E C 0.266 176.907 176.600 0.068 0.000 1.028 153 E CA 0.683 57.099 56.400 0.025 0.000 0.864 153 E CB -0.057 29.520 29.700 -0.206 0.000 0.813 153 E HN 0.582 nan 8.360 nan 0.000 0.514 154 D N 0.335 120.769 120.400 0.056 0.000 2.501 154 D HA 0.220 4.860 4.640 -0.000 0.000 0.226 154 D C -0.201 176.066 176.300 -0.055 0.000 1.198 154 D CA 0.175 54.226 54.000 0.085 0.000 0.830 154 D CB 0.660 41.583 40.800 0.204 0.000 1.014 154 D HN 0.046 nan 8.370 nan 0.000 0.496 155 L N 0.226 121.362 121.223 -0.146 0.000 2.393 155 L HA 0.443 4.783 4.340 -0.000 0.000 0.260 155 L C -2.556 174.110 176.870 -0.340 0.000 1.002 155 L CA -2.180 52.482 54.840 -0.297 0.000 0.818 155 L CB 2.780 44.549 42.059 -0.483 0.000 1.369 155 L HN -0.345 nan 8.230 nan 0.000 0.412 156 P HA 0.185 nan 4.420 nan 0.000 0.272 156 P C -2.557 174.383 177.300 -0.601 0.000 1.223 156 P CA -1.103 61.481 63.100 -0.860 0.000 0.784 156 P CB -0.047 31.431 31.700 -0.370 0.000 0.923 157 P HA 0.063 nan 4.420 nan 0.000 0.267 157 P C 1.020 178.220 177.300 -0.166 0.000 1.200 157 P CA 1.208 64.050 63.100 -0.430 0.000 0.772 157 P CB 0.116 31.530 31.700 -0.476 0.000 0.855 158 G N 1.686 110.430 108.800 -0.093 0.000 2.268 158 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.240 158 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.240 158 G C 0.955 175.855 174.900 0.001 0.000 1.010 158 G CA 0.285 45.378 45.100 -0.012 0.000 0.618 158 G HN 0.507 nan 8.290 nan 0.000 0.516 159 F N 1.354 121.178 119.950 -0.210 0.000 2.120 159 F HA 0.116 4.643 4.527 -0.000 0.000 0.300 159 F C 2.224 177.860 175.800 -0.274 0.000 1.095 159 F CA 2.290 60.022 58.000 -0.447 0.000 1.249 159 F CB -0.089 38.551 39.000 -0.601 0.000 0.995 159 F HN 0.192 nan 8.300 nan 0.000 0.480 160 L N 0.195 121.388 121.223 -0.051 0.000 2.627 160 L HA 0.046 4.386 4.340 -0.000 0.000 0.232 160 L C -0.270 176.528 176.870 -0.121 0.000 1.150 160 L CA -0.345 54.439 54.840 -0.094 0.000 0.917 160 L CB -0.891 41.136 42.059 -0.054 0.000 1.104 160 L HN -0.097 nan 8.230 nan 0.000 0.445 161 D N 1.331 121.655 120.400 -0.126 0.000 2.531 161 D HA -0.040 4.600 4.640 -0.000 0.000 0.239 161 D C 1.188 177.433 176.300 -0.092 0.000 1.144 161 D CA 0.315 54.260 54.000 -0.093 0.000 0.869 161 D CB 1.075 41.828 40.800 -0.078 0.000 1.160 161 D HN 0.181 nan 8.370 nan 0.000 0.484 162 E N 1.061 121.222 120.200 -0.065 0.000 2.204 162 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 162 E C 0.897 177.477 176.600 -0.034 0.000 0.989 162 E CA 0.756 57.127 56.400 -0.049 0.000 0.824 162 E CB -0.144 29.534 29.700 -0.037 0.000 0.756 162 E HN 0.489 nan 8.360 nan 0.000 0.477 163 D N 1.101 121.479 120.400 -0.036 0.000 2.413 163 D HA -0.023 4.617 4.640 -0.000 0.000 0.237 163 D C -0.005 176.276 176.300 -0.032 0.000 1.171 163 D CA 0.080 54.064 54.000 -0.027 0.000 0.839 163 D CB -0.487 40.296 40.800 -0.028 0.000 0.950 163 D HN 0.149 nan 8.370 nan 0.000 0.499 164 T N -3.655 110.877 114.554 -0.036 0.000 2.841 164 T HA 0.507 4.857 4.350 -0.000 0.000 0.296 164 T C -1.340 173.368 174.700 0.014 0.000 1.166 164 T CA -0.921 61.153 62.100 -0.044 0.000 1.007 164 T CB 2.549 71.359 68.868 -0.096 0.000 1.253 164 T HN 0.131 nan 8.240 nan 0.000 0.511 165 H N -0.549 118.474 119.070 -0.080 0.000 2.717 165 H HA 0.741 5.296 4.556 -0.000 0.000 0.366 165 H C -1.724 173.650 175.328 0.076 0.000 1.132 165 H CA -0.753 55.304 56.048 0.014 0.000 1.180 165 H CB 1.229 31.071 29.762 0.133 0.000 1.678 165 H HN 0.577 nan 8.280 nan 0.000 0.537 166 L N 4.780 125.812 121.223 -0.318 0.000 2.362 166 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 166 L C -1.114 175.634 176.870 -0.203 0.000 1.002 166 L CA -0.378 54.392 54.840 -0.117 0.000 0.818 166 L CB 1.824 43.747 42.059 -0.226 0.000 1.298 166 L HN 0.516 nan 8.230 nan 0.000 0.420 167 L N 1.660 122.783 121.223 -0.167 0.000 2.431 167 L HA 0.955 5.295 4.340 -0.000 0.000 0.266 167 L C -0.033 176.547 176.870 -0.485 0.000 0.978 167 L CA -0.365 54.085 54.840 -0.651 0.000 0.822 167 L CB 2.171 43.331 42.059 -1.499 0.000 1.310 167 L HN 0.736 nan 8.230 nan 0.000 0.409 168 G N 2.120 110.618 108.800 -0.503 0.000 2.606 168 G HA2 0.785 4.745 3.960 -0.000 0.000 0.300 168 G HA3 0.785 4.745 3.960 -0.000 0.000 0.300 168 G C -1.621 172.958 174.900 -0.536 0.000 1.360 168 G CA -0.526 44.490 45.100 -0.141 0.000 0.783 168 G HN 0.683 nan 8.290 nan 0.000 0.484 169 I N -2.685 117.831 120.570 -0.090 0.000 3.279 169 I HA 0.950 5.120 4.170 -0.000 0.000 0.315 169 I C -0.870 175.325 176.117 0.130 0.000 1.187 169 I CA -1.565 59.682 61.300 -0.089 0.000 0.953 169 I CB 2.671 40.630 38.000 -0.070 0.000 1.279 169 I HN 0.860 nan 8.210 nan 0.000 0.465 170 R N 1.691 122.183 120.500 -0.014 0.000 2.707 170 R HA 0.832 5.172 4.340 -0.000 0.000 0.272 170 R C -1.504 174.676 176.300 -0.200 0.000 1.011 170 R CA -0.959 54.930 56.100 -0.351 0.000 0.893 170 R CB 2.358 32.093 30.300 -0.941 0.000 1.233 170 R HN 0.993 nan 8.270 nan 0.000 0.464 171 R N 0.234 120.633 120.500 -0.169 0.000 2.716 171 R HA 0.406 4.746 4.340 -0.000 0.000 0.271 171 R C -1.499 174.793 176.300 -0.013 0.000 1.028 171 R CA -0.937 55.145 56.100 -0.031 0.000 0.883 171 R CB 1.850 32.195 30.300 0.076 0.000 1.250 171 R HN 0.580 nan 8.270 nan 0.000 0.465 172 T N 1.237 115.790 114.554 -0.002 0.000 2.882 172 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 172 T C -0.476 174.202 174.700 -0.037 0.000 0.992 172 T CA -0.473 61.614 62.100 -0.023 0.000 1.076 172 T CB 1.405 70.270 68.868 -0.006 0.000 0.961 172 T HN 0.309 nan 8.240 nan 0.000 0.490 173 V N 3.516 123.331 119.914 -0.165 0.000 2.588 173 V HA 0.259 4.379 4.120 -0.000 0.000 0.304 173 V C -0.078 175.955 176.094 -0.101 0.000 1.042 173 V CA -0.957 61.233 62.300 -0.183 0.000 0.877 173 V CB 2.008 33.571 31.823 -0.433 0.000 0.996 173 V HN 0.728 nan 8.190 nan 0.000 0.425 174 Q N 3.216 123.027 119.800 0.020 0.000 3.141 174 Q HA 0.260 4.600 4.340 -0.000 0.000 0.304 174 Q C 0.328 176.402 176.000 0.123 0.000 1.305 174 Q CA 0.079 55.925 55.803 0.072 0.000 0.929 174 Q CB 0.268 29.050 28.738 0.074 0.000 1.701 174 Q HN 0.880 nan 8.270 nan 0.000 0.483 175 S N -0.773 115.043 115.700 0.193 0.000 2.596 175 S HA 0.338 4.808 4.470 -0.000 0.000 0.270 175 S C -0.546 174.263 174.600 0.348 0.000 1.155 175 S CA -1.032 57.312 58.200 0.240 0.000 0.827 175 S CB 1.719 65.053 63.200 0.222 0.000 1.130 175 S HN 0.372 nan 8.310 nan 0.000 0.467 176 N N 1.521 120.348 118.700 0.213 0.000 2.441 176 N HA -0.015 4.725 4.740 -0.000 0.000 0.251 176 N C 1.664 177.223 175.510 0.082 0.000 1.242 176 N CA 0.273 53.437 53.050 0.190 0.000 0.898 176 N CB 0.453 39.005 38.487 0.108 0.000 1.100 176 N HN 0.943 nan 8.380 nan 0.000 0.443 177 W N 5.351 126.642 121.300 -0.014 0.000 2.321 177 W HA -0.180 4.480 4.660 -0.000 0.000 0.306 177 W C 1.189 177.569 176.519 -0.231 0.000 1.217 177 W CA 0.519 57.737 57.345 -0.211 0.000 1.257 177 W CB -0.845 28.616 29.460 0.002 0.000 1.145 177 W HN 0.585 nan 8.180 nan 0.000 0.509 178 R N 0.854 120.659 120.500 -1.159 0.000 2.152 178 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 178 R C 2.467 178.510 176.300 -0.427 0.000 1.117 178 R CA 1.759 57.283 56.100 -0.961 0.000 0.981 178 R CB -0.530 29.167 30.300 -1.004 0.000 0.870 178 R HN 0.285 nan 8.270 nan 0.000 0.451 179 L N -0.843 120.158 121.223 -0.370 0.000 2.313 179 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 179 L C 2.361 179.016 176.870 -0.359 0.000 1.119 179 L CA 0.852 55.492 54.840 -0.335 0.000 0.809 179 L CB -0.368 41.543 42.059 -0.247 0.000 0.933 179 L HN 0.330 nan 8.230 nan 0.000 0.449 180 G N -0.427 108.080 108.800 -0.489 0.000 2.396 180 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.214 180 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.214 180 G C 1.570 175.803 174.900 -1.112 0.000 1.166 180 G CA 0.518 45.267 45.100 -0.586 0.000 0.793 180 G HN 0.124 nan 8.290 nan 0.000 0.533 181 V N 0.992 120.247 119.914 -1.099 0.000 2.295 181 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 181 V C 2.604 178.358 176.094 -0.566 0.000 1.049 181 V CA 2.091 63.777 62.300 -1.023 0.000 1.024 181 V CB -0.498 31.039 31.823 -0.477 0.000 0.648 181 V HN 0.447 nan 8.190 nan 0.000 0.447 182 E N 0.131 120.115 120.200 -0.360 0.000 2.268 182 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 182 E C 2.060 178.511 176.600 -0.248 0.000 0.995 182 E CA 0.862 57.142 56.400 -0.200 0.000 0.836 182 E CB -0.248 29.384 29.700 -0.114 0.000 0.763 182 E HN 0.678 nan 8.360 nan 0.000 0.491 183 N N 0.665 119.158 118.700 -0.346 0.000 2.300 183 N HA -0.086 4.654 4.740 -0.000 0.000 0.179 183 N C 1.894 177.133 175.510 -0.451 0.000 1.016 183 N CA 1.070 53.870 53.050 -0.417 0.000 0.876 183 N CB 0.151 38.429 38.487 -0.348 0.000 0.979 183 N HN 0.099 nan 8.380 nan 0.000 0.432 184 G N -0.127 108.521 108.800 -0.253 0.000 2.396 184 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 184 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 184 G C 0.510 175.445 174.900 0.059 0.000 1.166 184 G CA -0.068 45.031 45.100 -0.003 0.000 0.793 184 G HN 0.312 nan 8.290 nan 0.000 0.533 185 F N 2.456 122.280 119.950 -0.210 0.000 2.752 185 F HA 0.404 4.931 4.527 -0.000 0.000 0.332 185 F C -0.566 175.161 175.800 -0.123 0.000 1.188 185 F CA -1.885 56.004 58.000 -0.185 0.000 1.296 185 F CB -0.067 38.748 39.000 -0.309 0.000 1.526 185 F HN -0.071 nan 8.300 nan 0.000 0.576 186 D N 0.923 121.245 120.400 -0.131 0.000 2.542 186 D HA 0.085 4.725 4.640 -0.000 0.000 0.252 186 D C 0.996 177.348 176.300 0.087 0.000 1.222 186 D CA 0.019 53.977 54.000 -0.069 0.000 0.895 186 D CB 1.761 42.544 40.800 -0.028 0.000 1.207 186 D HN 0.319 nan 8.370 nan 0.000 0.558 187 T N -0.255 114.269 114.554 -0.050 0.000 3.118 187 T HA -0.060 4.290 4.350 -0.000 0.000 0.260 187 T C 1.274 176.065 174.700 0.153 0.000 1.139 187 T CA 1.252 63.370 62.100 0.030 0.000 1.085 187 T CB -0.093 68.738 68.868 -0.061 0.000 0.934 187 T HN 0.371 nan 8.240 nan 0.000 0.518 188 T N -1.183 113.470 114.554 0.164 0.000 3.003 188 T HA 0.131 4.481 4.350 -0.000 0.000 0.261 188 T C 1.669 176.484 174.700 0.191 0.000 1.003 188 T CA 0.137 62.339 62.100 0.169 0.000 0.917 188 T CB -0.421 68.585 68.868 0.230 0.000 1.084 188 T HN 0.658 nan 8.240 nan 0.000 0.522 189 H N 2.739 121.889 119.070 0.134 0.000 2.524 189 H HA 0.075 4.631 4.556 -0.000 0.000 0.282 189 H C 1.910 177.320 175.328 0.136 0.000 1.016 189 H CA 1.043 57.157 56.048 0.110 0.000 1.270 189 H CB -0.611 29.175 29.762 0.040 0.000 1.394 189 H HN 0.638 nan 8.280 nan 0.000 0.568 190 I N -1.938 118.363 120.570 -0.448 0.000 2.953 190 I HA -0.167 4.003 4.170 -0.000 0.000 0.271 190 I C 2.164 178.367 176.117 0.142 0.000 1.286 190 I CA 0.754 61.979 61.300 -0.124 0.000 1.449 190 I CB -1.026 37.051 38.000 0.128 0.000 1.086 190 I HN 0.001 nan 8.210 nan 0.000 0.483 191 F N 3.567 123.503 119.950 -0.023 0.000 2.161 191 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 191 F C 2.361 178.170 175.800 0.014 0.000 1.089 191 F CA 2.201 60.235 58.000 0.056 0.000 1.282 191 F CB -0.311 38.684 39.000 -0.009 0.000 1.010 191 F HN 0.234 nan 8.300 nan 0.000 0.485 192 M N -1.104 118.377 119.600 -0.198 0.000 2.460 192 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 192 M C 1.029 177.112 176.300 -0.362 0.000 1.071 192 M CA 1.669 56.752 55.300 -0.363 0.000 1.096 192 M CB -0.855 31.545 32.600 -0.333 0.000 1.408 192 M HN 0.072 nan 8.290 nan 0.000 0.463 193 H N 1.575 120.570 119.070 -0.126 0.000 2.539 193 H HA 0.144 4.700 4.556 -0.000 0.000 0.269 193 H C 1.902 177.213 175.328 -0.028 0.000 0.980 193 H CA 0.943 56.861 56.048 -0.216 0.000 1.152 193 H CB -0.355 29.129 29.762 -0.464 0.000 1.407 193 H HN 0.649 nan 8.280 nan 0.000 0.564 194 R N 0.973 121.566 120.500 0.155 0.000 2.139 194 R HA -0.138 4.202 4.340 -0.000 0.000 0.243 194 R C 0.585 176.983 176.300 0.163 0.000 1.145 194 R CA 1.893 58.141 56.100 0.246 0.000 0.976 194 R CB -0.458 29.985 30.300 0.237 0.000 0.866 194 R HN 0.219 nan 8.270 nan 0.000 0.449 195 N N 0.537 119.280 118.700 0.072 0.000 2.230 195 N HA 0.012 4.752 4.740 -0.000 0.000 0.202 195 N C -0.588 174.975 175.510 0.088 0.000 1.119 195 N CA -0.223 52.871 53.050 0.074 0.000 0.851 195 N CB 0.874 39.382 38.487 0.036 0.000 0.990 195 N HN 0.148 nan 8.380 nan 0.000 0.497 196 S N 1.951 117.707 115.700 0.093 0.000 2.549 196 S HA 0.067 4.537 4.470 -0.000 0.000 0.286 196 S C -1.142 173.566 174.600 0.179 0.000 1.314 196 S CA -1.315 56.956 58.200 0.120 0.000 1.062 196 S CB 0.682 63.923 63.200 0.068 0.000 0.865 196 S HN 0.154 nan 8.310 nan 0.000 0.498 197 P HA -0.088 nan 4.420 nan 0.000 0.225 197 P C 1.333 178.779 177.300 0.244 0.000 1.148 197 P CA 0.801 64.009 63.100 0.179 0.000 0.779 197 P CB -0.133 31.663 31.700 0.160 0.000 0.780 198 W N 0.997 122.364 121.300 0.112 0.000 2.402 198 W HA -0.115 4.545 4.660 -0.000 0.000 0.286 198 W C 1.513 178.079 176.519 0.079 0.000 1.221 198 W CA 0.461 57.872 57.345 0.111 0.000 1.257 198 W CB -0.242 29.333 29.460 0.191 0.000 1.120 198 W HN -0.239 nan 8.180 nan 0.000 0.551 199 V N 1.636 121.614 119.914 0.106 0.000 2.233 199 V HA -0.381 3.739 4.120 -0.000 0.000 0.247 199 V C 2.634 178.672 176.094 -0.093 0.000 1.050 199 V CA 2.910 65.200 62.300 -0.017 0.000 1.010 199 V CB -1.313 30.581 31.823 0.118 0.000 0.637 199 V HN 0.321 nan 8.190 nan 0.000 0.444 200 S N 0.225 115.908 115.700 -0.029 0.000 2.425 200 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 200 S C 2.096 176.629 174.600 -0.112 0.000 1.024 200 S CA 0.978 59.151 58.200 -0.045 0.000 0.951 200 S CB -0.555 62.648 63.200 0.006 0.000 0.796 200 S HN 0.540 nan 8.310 nan 0.000 0.498 201 G N 2.064 110.793 108.800 -0.119 0.000 2.440 201 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 201 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 201 G C 1.264 175.948 174.900 -0.360 0.000 1.154 201 G CA 1.029 46.040 45.100 -0.148 0.000 0.767 201 G HN 0.611 nan 8.290 nan 0.000 0.552 202 N N -0.298 117.984 118.700 -0.697 0.000 2.328 202 N HA 0.084 4.824 4.740 -0.000 0.000 0.247 202 N C 0.326 175.576 175.510 -0.433 0.000 1.165 202 N CA -0.449 52.132 53.050 -0.782 0.000 0.873 202 N CB -0.231 37.267 38.487 -1.649 0.000 1.125 202 N HN 0.194 nan 8.380 nan 0.000 0.513 203 R N 0.042 120.379 120.500 -0.272 0.000 3.301 203 R HA -0.188 4.152 4.340 -0.000 0.000 0.249 203 R C -0.605 175.634 176.300 -0.102 0.000 0.964 203 R CA 0.442 56.458 56.100 -0.140 0.000 0.653 203 R CB -2.068 28.174 30.300 -0.097 0.000 1.043 203 R HN 0.359 nan 8.270 nan 0.000 0.454 204 L N 0.339 121.495 121.223 -0.112 0.000 2.395 204 L HA 0.401 4.741 4.340 -0.000 0.000 0.269 204 L C 1.051 178.006 176.870 0.142 0.000 1.133 204 L CA -0.337 54.510 54.840 0.011 0.000 0.812 204 L CB 1.157 43.222 42.059 0.010 0.000 1.125 204 L HN 0.233 nan 8.230 nan 0.000 0.452 205 A N 3.603 126.546 122.820 0.205 0.000 2.650 205 A HA 0.405 4.725 4.320 -0.000 0.000 0.320 205 A C -0.872 176.977 177.584 0.441 0.000 1.466 205 A CA -0.139 52.056 52.037 0.264 0.000 1.099 205 A CB -0.488 18.623 19.000 0.185 0.000 1.136 205 A HN 0.456 nan 8.150 nan 0.000 0.532 206 F N 5.765 125.849 119.950 0.224 0.000 2.402 206 F HA 0.533 5.060 4.527 -0.000 0.000 0.355 206 F C -2.041 173.695 175.800 -0.106 0.000 1.123 206 F CA -2.247 55.836 58.000 0.139 0.000 1.021 206 F CB 1.982 41.101 39.000 0.198 0.000 1.160 206 F HN 0.401 nan 8.300 nan 0.000 0.451 207 P HA 0.096 nan 4.420 nan 0.000 0.279 207 P C -0.282 176.501 177.300 -0.862 0.000 1.282 207 P CA -0.055 62.259 63.100 -1.311 0.000 0.788 207 P CB 1.176 31.771 31.700 -1.842 0.000 1.139 208 Y N -1.148 118.882 120.300 -0.450 0.000 2.523 208 Y HA 0.383 4.933 4.550 -0.000 0.000 0.279 208 Y C 1.641 177.427 175.900 -0.189 0.000 1.139 208 Y CA 0.641 58.662 58.100 -0.132 0.000 1.296 208 Y CB -0.296 38.203 38.460 0.065 0.000 1.045 208 Y HN 0.570 nan 8.280 nan 0.000 0.538 209 G N -1.410 107.185 108.800 -0.341 0.000 2.338 209 G HA2 0.404 4.364 3.960 -0.000 0.000 0.295 209 G HA3 0.404 4.364 3.960 -0.000 0.000 0.295 209 G C -2.045 172.542 174.900 -0.522 0.000 1.461 209 G CA -1.045 43.895 45.100 -0.267 0.000 0.817 209 G HN -0.132 nan 8.290 nan 0.000 0.556 210 F N 0.326 120.221 119.950 -0.091 0.000 2.477 210 F HA 0.572 5.099 4.527 -0.000 0.000 0.335 210 F C 0.261 176.133 175.800 0.119 0.000 1.130 210 F CA -0.822 57.168 58.000 -0.018 0.000 0.948 210 F CB 2.594 41.529 39.000 -0.108 0.000 1.154 210 F HN 0.273 nan 8.300 nan 0.000 0.439 211 V N 5.583 125.637 119.914 0.234 0.000 2.370 211 V HA 0.367 4.487 4.120 -0.000 0.000 0.283 211 V C -2.037 174.035 176.094 -0.038 0.000 1.023 211 V CA -2.114 60.235 62.300 0.082 0.000 0.857 211 V CB 1.320 33.136 31.823 -0.011 0.000 0.985 211 V HN 0.467 nan 8.190 nan 0.000 0.443 212 P HA 0.072 nan 4.420 nan 0.000 0.268 212 P C 0.535 177.583 177.300 -0.419 0.000 1.204 212 P CA 0.079 62.656 63.100 -0.871 0.000 0.768 212 P CB 1.287 32.528 31.700 -0.766 0.000 0.842 213 A N 3.590 126.189 122.820 -0.369 0.000 1.930 213 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 213 A C 0.683 178.172 177.584 -0.158 0.000 1.175 213 A CA 1.862 53.789 52.037 -0.182 0.000 0.627 213 A CB -0.728 18.199 19.000 -0.122 0.000 0.815 213 A HN 0.736 nan 8.150 nan 0.000 0.443 214 D N -5.055 115.228 120.400 -0.194 0.000 2.946 214 D HA 0.395 5.035 4.640 -0.000 0.000 0.337 214 D C 0.158 176.367 176.300 -0.151 0.000 1.332 214 D CA -0.756 53.160 54.000 -0.139 0.000 0.935 214 D CB 0.139 40.882 40.800 -0.094 0.000 1.440 214 D HN -0.195 nan 8.370 nan 0.000 0.540 215 R N -0.208 120.231 120.500 -0.101 0.000 2.316 215 R HA 0.103 4.443 4.340 -0.000 0.000 0.202 215 R C 0.231 176.486 176.300 -0.074 0.000 1.029 215 R CA 1.236 57.287 56.100 -0.083 0.000 1.018 215 R CB -0.260 30.008 30.300 -0.052 0.000 0.888 215 R HN 0.553 nan 8.270 nan 0.000 0.471 216 D N -2.017 118.335 120.400 -0.080 0.000 2.593 216 D HA 0.086 4.726 4.640 -0.000 0.000 0.241 216 D C 0.371 176.634 176.300 -0.061 0.000 1.257 216 D CA 0.089 54.053 54.000 -0.060 0.000 0.828 216 D CB 0.586 41.357 40.800 -0.049 0.000 1.049 216 D HN 0.127 nan 8.370 nan 0.000 0.490 217 A N 0.826 123.577 122.820 -0.114 0.000 2.206 217 A HA 0.148 4.468 4.320 -0.000 0.000 0.211 217 A C 1.381 179.013 177.584 0.080 0.000 1.158 217 A CA 0.169 52.130 52.037 -0.126 0.000 0.761 217 A CB -0.353 18.322 19.000 -0.542 0.000 0.801 217 A HN 0.519 nan 8.150 nan 0.000 0.473 218 M N -1.293 118.341 119.600 0.058 0.000 2.456 218 M HA 0.621 5.101 4.480 -0.000 0.000 0.324 218 M C -0.841 175.482 176.300 0.037 0.000 1.124 218 M CA -0.604 54.765 55.300 0.115 0.000 0.959 218 M CB 1.603 34.276 32.600 0.122 0.000 1.692 218 M HN 0.095 nan 8.290 nan 0.000 0.444 219 Q N 2.172 121.989 119.800 0.028 0.000 2.340 219 Q HA 0.632 4.972 4.340 -0.000 0.000 0.268 219 Q C -2.047 173.859 176.000 -0.156 0.000 1.031 219 Q CA -0.771 54.972 55.803 -0.101 0.000 0.804 219 Q CB 2.532 31.179 28.738 -0.153 0.000 1.286 219 Q HN 0.793 nan 8.270 nan 0.000 0.448 220 V N 4.715 124.497 119.914 -0.220 0.000 2.407 220 V HA 0.279 4.399 4.120 -0.000 0.000 0.278 220 V C -1.085 174.829 176.094 -0.300 0.000 1.037 220 V CA -0.437 61.753 62.300 -0.183 0.000 0.900 220 V CB 0.742 32.497 31.823 -0.113 0.000 0.983 220 V HN 0.713 nan 8.190 nan 0.000 0.459 221 Y N 3.917 124.147 120.300 -0.116 0.000 2.593 221 Y HA 0.335 4.885 4.550 -0.000 0.000 0.331 221 Y C 0.893 176.741 175.900 -0.086 0.000 0.986 221 Y CA -0.904 57.167 58.100 -0.048 0.000 1.262 221 Y CB 0.922 39.422 38.460 0.067 0.000 1.098 221 Y HN 0.781 nan 8.280 nan 0.000 0.506 222 D N 0.219 120.605 120.400 -0.023 0.000 2.469 222 D HA 0.048 4.687 4.640 -0.000 0.000 0.215 222 D C -0.234 175.960 176.300 -0.177 0.000 1.154 222 D CA 0.002 53.928 54.000 -0.123 0.000 0.832 222 D CB 0.362 41.086 40.800 -0.127 0.000 1.008 222 D HN 0.455 nan 8.370 nan 0.000 0.506 223 E N 0.932 121.073 120.200 -0.099 0.000 2.156 223 E HA 0.357 4.707 4.350 -0.000 0.000 0.279 223 E C -0.483 176.042 176.600 -0.124 0.000 0.965 223 E CA -0.430 55.905 56.400 -0.109 0.000 0.789 223 E CB 1.103 30.780 29.700 -0.038 0.000 1.098 223 E HN 0.101 nan 8.360 nan 0.000 0.397 224 N N 0.977 119.553 118.700 -0.208 0.000 6.750 224 N HA -0.261 4.479 4.740 -0.000 0.000 0.412 224 N C -1.363 173.960 175.510 -0.312 0.000 0.937 224 N CA 1.149 54.101 53.050 -0.163 0.000 1.334 224 N CB -0.286 38.205 38.487 0.006 0.000 0.815 224 N HN 0.394 nan 8.380 nan 0.000 0.330 225 W N 0.517 121.845 121.300 0.046 0.000 2.781 225 W HA 0.569 5.229 4.660 -0.000 0.000 0.345 225 W C -1.817 174.715 176.519 0.021 0.000 1.085 225 W CA -1.043 56.334 57.345 0.052 0.000 1.198 225 W CB 0.528 29.993 29.460 0.008 0.000 1.423 225 W HN 0.351 nan 8.180 nan 0.000 0.532 226 P HA 0.310 nan 4.420 nan 0.000 0.276 226 P C -1.196 176.405 177.300 0.501 0.000 1.252 226 P CA -0.321 63.046 63.100 0.444 0.000 0.802 226 P CB 1.300 33.102 31.700 0.171 0.000 1.035 227 K N 0.038 120.775 120.400 0.561 0.000 2.259 227 K HA 0.757 5.077 4.320 -0.000 0.000 0.252 227 K C 0.065 176.848 176.600 0.306 0.000 0.936 227 K CA -0.660 55.809 56.287 0.304 0.000 0.810 227 K CB 2.056 34.496 32.500 -0.100 0.000 1.143 227 K HN 0.811 nan 8.250 nan 0.000 0.427 228 G N 0.132 108.849 108.800 -0.138 0.000 2.428 228 G HA2 0.401 4.361 3.960 -0.000 0.000 0.304 228 G HA3 0.401 4.361 3.960 -0.000 0.000 0.304 228 G C -1.829 172.725 174.900 -0.577 0.000 1.303 228 G CA -0.602 44.116 45.100 -0.637 0.000 0.825 228 G HN 0.304 nan 8.290 nan 0.000 0.484 229 V N 0.849 120.362 119.914 -0.668 0.000 2.540 229 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 229 V C -0.335 175.594 176.094 -0.276 0.000 1.035 229 V CA -0.745 61.377 62.300 -0.297 0.000 0.873 229 V CB 1.619 33.399 31.823 -0.072 0.000 0.992 229 V HN 0.713 nan 8.190 nan 0.000 0.428 230 L N 3.559 124.785 121.223 0.006 0.000 2.313 230 L HA 0.646 4.986 4.340 -0.000 0.000 0.283 230 L C -1.254 175.722 176.870 0.176 0.000 1.013 230 L CA -0.383 54.532 54.840 0.125 0.000 0.816 230 L CB 1.860 44.095 42.059 0.293 0.000 1.236 230 L HN 0.629 nan 8.230 nan 0.000 0.419 231 D N 5.085 125.574 120.400 0.149 0.000 2.392 231 D HA 0.269 4.909 4.640 -0.000 0.000 0.228 231 D C -0.018 176.245 176.300 -0.063 0.000 1.074 231 D CA -0.154 53.866 54.000 0.034 0.000 0.838 231 D CB 1.212 41.866 40.800 -0.244 0.000 1.067 231 D HN 0.339 nan 8.370 nan 0.000 0.511 232 R N 3.063 123.609 120.500 0.076 0.000 3.701 232 R HA 0.182 4.522 4.340 -0.000 0.000 0.210 232 R C 1.324 177.627 176.300 0.006 0.000 1.598 232 R CA -0.156 55.970 56.100 0.044 0.000 1.427 232 R CB 0.153 30.520 30.300 0.112 0.000 1.339 232 R HN 0.415 nan 8.270 nan 0.000 0.720 233 L N -0.009 121.021 121.223 -0.320 0.000 2.043 233 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 233 L C 2.434 179.261 176.870 -0.072 0.000 1.075 233 L CA 1.552 56.095 54.840 -0.495 0.000 0.752 233 L CB -0.525 40.925 42.059 -1.015 0.000 0.891 233 L HN 0.430 nan 8.230 nan 0.000 0.432 234 S N -1.134 114.539 115.700 -0.046 0.000 2.423 234 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 234 S C 1.860 176.522 174.600 0.104 0.000 1.014 234 S CA 1.512 59.751 58.200 0.064 0.000 0.965 234 S CB 0.046 63.271 63.200 0.043 0.000 0.785 234 S HN 0.499 nan 8.310 nan 0.000 0.495 235 E N -0.232 120.031 120.200 0.106 0.000 2.206 235 E HA 0.119 4.469 4.350 -0.000 0.000 0.195 235 E C 0.509 177.183 176.600 0.124 0.000 0.935 235 E CA 0.249 56.713 56.400 0.106 0.000 0.875 235 E CB 0.184 29.936 29.700 0.085 0.000 0.841 235 E HN 0.406 nan 8.360 nan 0.000 0.477 236 N N -0.356 118.457 118.700 0.188 0.000 2.235 236 N HA 0.100 4.840 4.740 -0.000 0.000 0.231 236 N C -1.188 174.360 175.510 0.062 0.000 1.177 236 N CA 0.097 53.216 53.050 0.115 0.000 0.874 236 N CB 0.744 39.265 38.487 0.056 0.000 1.097 236 N HN 0.065 nan 8.380 nan 0.000 0.518 237 Y N 0.219 120.545 120.300 0.044 0.000 2.562 237 Y HA 0.536 5.086 4.550 -0.000 0.000 0.343 237 Y C 0.154 176.123 175.900 0.115 0.000 1.025 237 Y CA -0.818 57.328 58.100 0.077 0.000 1.082 237 Y CB 1.472 40.004 38.460 0.119 0.000 1.264 237 Y HN -0.254 nan 8.280 nan 0.000 0.478 238 M N 4.037 123.777 119.600 0.232 0.000 2.167 238 M HA 0.406 4.886 4.480 -0.000 0.000 0.333 238 M C -2.722 173.617 176.300 0.065 0.000 1.030 238 M CA -1.792 53.591 55.300 0.137 0.000 0.963 238 M CB 1.676 34.312 32.600 0.060 0.000 1.589 238 M HN 0.245 nan 8.290 nan 0.000 0.431 239 P HA 0.152 nan 4.420 nan 0.000 0.275 239 P C -0.900 176.173 177.300 -0.378 0.000 1.227 239 P CA -0.383 62.455 63.100 -0.437 0.000 0.781 239 P CB 0.676 32.173 31.700 -0.337 0.000 0.906 240 V N 4.718 124.296 119.914 -0.561 0.000 2.304 240 V HA 0.196 4.316 4.120 -0.000 0.000 0.269 240 V C 0.365 176.187 176.094 -0.454 0.000 1.036 240 V CA 0.202 62.325 62.300 -0.295 0.000 0.840 240 V CB -0.135 31.605 31.823 -0.139 0.000 1.036 240 V HN 0.506 nan 8.190 nan 0.000 0.466 241 F N 1.600 121.471 119.950 -0.131 0.000 2.721 241 F HA 0.335 4.862 4.527 -0.000 0.000 0.301 241 F C 1.159 176.939 175.800 -0.034 0.000 1.096 241 F CA 0.005 57.883 58.000 -0.203 0.000 1.308 241 F CB 0.664 39.573 39.000 -0.151 0.000 1.086 241 F HN 0.410 nan 8.300 nan 0.000 0.587 242 E N 0.347 120.698 120.200 0.252 0.000 2.246 242 E HA 0.577 4.927 4.350 -0.000 0.000 0.266 242 E C -0.877 175.887 176.600 0.273 0.000 0.880 242 E CA -0.732 55.844 56.400 0.293 0.000 0.762 242 E CB 2.032 31.838 29.700 0.176 0.000 1.180 242 E HN -0.022 nan 8.360 nan 0.000 0.416 243 A N 2.788 125.765 122.820 0.261 0.000 2.302 243 A HA 0.445 4.765 4.320 -0.000 0.000 0.295 243 A C -0.192 177.413 177.584 0.036 0.000 1.235 243 A CA -0.211 51.862 52.037 0.060 0.000 0.876 243 A CB 0.365 19.293 19.000 -0.119 0.000 1.133 243 A HN 0.463 nan 8.150 nan 0.000 0.533 244 T N 3.286 117.847 114.554 0.012 0.000 2.797 244 T HA 0.561 4.911 4.350 -0.000 0.000 0.279 244 T C -0.609 174.080 174.700 -0.017 0.000 0.991 244 T CA -0.226 61.879 62.100 0.009 0.000 0.979 244 T CB 0.956 69.835 68.868 0.019 0.000 0.943 244 T HN 0.539 nan 8.240 nan 0.000 0.444 245 L N 3.079 124.294 121.223 -0.013 0.000 2.372 245 L HA 0.374 4.714 4.340 -0.000 0.000 0.274 245 L C -0.373 176.489 176.870 -0.013 0.000 0.988 245 L CA -0.349 54.477 54.840 -0.023 0.000 0.833 245 L CB 1.052 43.096 42.059 -0.026 0.000 1.236 245 L HN 0.748 nan 8.230 nan 0.000 0.410 246 D N 4.009 124.400 120.400 -0.015 0.000 2.746 246 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 246 D C 0.995 177.293 176.300 -0.003 0.000 1.129 246 D CA 1.373 55.368 54.000 -0.009 0.000 0.691 246 D CB -0.296 40.499 40.800 -0.009 0.000 1.077 246 D HN 1.171 nan 8.370 nan 0.000 0.432 247 G N 0.219 109.019 108.800 -0.001 0.000 2.166 247 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 247 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 247 G C 0.062 174.968 174.900 0.009 0.000 0.986 247 G CA 0.965 46.068 45.100 0.005 0.000 0.683 247 G HN 0.538 nan 8.290 nan 0.000 0.527 248 E N 0.082 120.287 120.200 0.009 0.000 2.222 248 E HA 0.464 4.814 4.350 -0.000 0.000 0.267 248 E C -0.485 176.127 176.600 0.021 0.000 0.884 248 E CA -0.637 55.772 56.400 0.015 0.000 0.764 248 E CB 1.366 31.072 29.700 0.011 0.000 1.169 248 E HN 0.074 nan 8.360 nan 0.000 0.413 249 T N 1.774 116.347 114.554 0.032 0.000 2.751 249 T HA 0.064 4.414 4.350 -0.000 0.000 0.290 249 T C 1.119 175.846 174.700 0.046 0.000 0.919 249 T CA -0.189 61.940 62.100 0.048 0.000 1.136 249 T CB 0.319 69.225 68.868 0.062 0.000 0.875 249 T HN 0.405 nan 8.240 nan 0.000 0.532 250 V N 1.875 121.813 119.914 0.041 0.000 3.643 250 V HA 0.536 4.656 4.120 -0.000 0.000 0.280 250 V C -0.019 176.104 176.094 0.050 0.000 1.351 250 V CA 0.016 62.337 62.300 0.035 0.000 1.073 250 V CB -0.132 31.701 31.823 0.016 0.000 0.863 250 V HN 0.506 nan 8.190 nan 0.000 0.436 251 L N 1.345 122.614 121.223 0.078 0.000 2.545 251 L HA 0.784 5.124 4.340 -0.000 0.000 0.258 251 L C -0.735 176.308 176.870 0.289 0.000 0.942 251 L CA 0.175 55.091 54.840 0.127 0.000 0.855 251 L CB 2.291 44.337 42.059 -0.023 0.000 1.374 251 L HN 0.406 nan 8.230 nan 0.000 0.411 252 S N 2.101 118.012 115.700 0.351 0.000 2.614 252 S HA 0.953 5.423 4.470 -0.000 0.000 0.275 252 S C -0.617 174.159 174.600 0.293 0.000 1.161 252 S CA -0.289 58.120 58.200 0.347 0.000 0.969 252 S CB 1.633 64.948 63.200 0.192 0.000 1.059 252 S HN 0.987 nan 8.310 nan 0.000 0.482 253 A N 1.725 124.625 122.820 0.134 0.000 2.351 253 A HA 0.652 4.972 4.320 -0.000 0.000 0.257 253 A C 0.269 177.916 177.584 0.105 0.000 1.087 253 A CA -0.394 51.669 52.037 0.044 0.000 0.798 253 A CB 0.061 18.932 19.000 -0.214 0.000 1.033 253 A HN 0.899 nan 8.150 nan 0.000 0.488 254 E N 0.460 120.720 120.200 0.098 0.000 2.299 254 E HA 0.340 4.690 4.350 -0.000 0.000 0.272 254 E C -1.120 175.481 176.600 0.001 0.000 1.043 254 E CA 0.452 56.883 56.400 0.051 0.000 0.895 254 E CB 0.245 29.979 29.700 0.057 0.000 1.011 254 E HN 0.466 nan 8.360 nan 0.000 0.432 255 L N 4.777 125.943 121.223 -0.096 0.000 2.415 255 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 255 L C -1.122 175.657 176.870 -0.151 0.000 0.984 255 L CA -0.199 54.501 54.840 -0.233 0.000 0.853 255 L CB 1.658 43.410 42.059 -0.511 0.000 1.215 255 L HN 0.560 nan 8.230 nan 0.000 0.419 256 T N 1.813 116.304 114.554 -0.105 0.000 2.906 256 T HA 0.286 4.636 4.350 -0.000 0.000 0.295 256 T C 0.984 175.649 174.700 -0.059 0.000 1.061 256 T CA -0.020 62.039 62.100 -0.070 0.000 1.000 256 T CB 1.975 70.819 68.868 -0.040 0.000 1.103 256 T HN 0.647 nan 8.240 nan 0.000 0.486 257 G N 0.703 109.474 108.800 -0.048 0.000 2.432 257 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 257 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 257 G C 1.090 175.978 174.900 -0.020 0.000 1.135 257 G CA 0.602 45.682 45.100 -0.034 0.000 0.767 257 G HN 0.612 nan 8.290 nan 0.000 0.550 258 E N 0.823 121.011 120.200 -0.019 0.000 2.478 258 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 258 E C 0.817 177.410 176.600 -0.011 0.000 1.045 258 E CA 0.015 56.407 56.400 -0.013 0.000 0.868 258 E CB 0.127 29.819 29.700 -0.014 0.000 0.885 258 E HN 0.609 nan 8.360 nan 0.000 0.505 259 E N 1.312 121.505 120.200 -0.011 0.000 2.404 259 E HA 0.077 4.427 4.350 -0.000 0.000 0.261 259 E C -0.056 176.550 176.600 0.010 0.000 1.074 259 E CA 0.159 56.556 56.400 -0.004 0.000 0.917 259 E CB 0.736 30.440 29.700 0.007 0.000 0.965 259 E HN -0.079 nan 8.360 nan 0.000 0.433 260 K N 2.017 122.421 120.400 0.006 0.000 2.270 260 K HA 0.164 4.484 4.320 -0.000 0.000 0.276 260 K C -0.277 176.363 176.600 0.067 0.000 1.023 260 K CA -0.315 55.984 56.287 0.020 0.000 0.955 260 K CB 0.606 33.099 32.500 -0.011 0.000 0.975 260 K HN 0.096 nan 8.250 nan 0.000 0.471 261 K N 2.576 123.024 120.400 0.080 0.000 2.235 261 K HA 0.335 4.655 4.320 -0.000 0.000 0.266 261 K C -0.214 176.469 176.600 0.138 0.000 0.980 261 K CA -0.535 55.829 56.287 0.128 0.000 0.849 261 K CB 1.489 34.054 32.500 0.109 0.000 1.098 261 K HN 0.509 nan 8.250 nan 0.000 0.445 262 V N -2.203 117.839 119.914 0.214 0.000 3.158 262 V HA 0.821 4.941 4.120 -0.000 0.000 0.311 262 V C 0.038 176.283 176.094 0.251 0.000 1.181 262 V CA -0.908 61.533 62.300 0.236 0.000 1.054 262 V CB 1.318 33.331 31.823 0.316 0.000 1.085 262 V HN 0.841 nan 8.190 nan 0.000 0.446 263 A N -0.268 122.681 122.820 0.216 0.000 2.519 263 A HA 0.033 4.353 4.320 -0.000 0.000 0.297 263 A C 1.435 178.964 177.584 -0.091 0.000 1.472 263 A CA 1.356 53.421 52.037 0.047 0.000 0.739 263 A CB -1.735 17.280 19.000 0.026 0.000 1.096 263 A HN 2.559 nan 8.150 nan 0.000 0.414 264 A N -0.597 122.200 122.820 -0.038 0.000 2.014 264 A HA 0.274 4.594 4.320 -0.000 0.000 0.218 264 A C 1.020 178.530 177.584 -0.124 0.000 1.163 264 A CA 1.824 53.827 52.037 -0.056 0.000 0.652 264 A CB 0.093 19.094 19.000 0.001 0.000 0.808 264 A HN 0.928 nan 8.150 nan 0.000 0.449 265 Q N -1.847 117.885 119.800 -0.113 0.000 2.377 265 Q HA 0.594 4.934 4.340 -0.000 0.000 0.279 265 Q C -1.880 174.060 176.000 -0.100 0.000 1.049 265 Q CA -0.466 55.273 55.803 -0.107 0.000 0.825 265 Q CB 2.799 31.530 28.738 -0.012 0.000 1.401 265 Q HN 0.129 nan 8.270 nan 0.000 0.404 266 V N 1.280 121.144 119.914 -0.084 0.000 2.808 266 V HA 0.829 4.949 4.120 -0.000 0.000 0.308 266 V C -1.590 174.595 176.094 0.151 0.000 1.099 266 V CA -0.120 62.180 62.300 0.000 0.000 0.920 266 V CB 2.132 33.915 31.823 -0.066 0.000 1.014 266 V HN 0.921 nan 8.190 nan 0.000 0.425 267 S N 4.639 120.424 115.700 0.142 0.000 2.579 267 S HA 0.845 5.315 4.470 -0.000 0.000 0.272 267 S C -1.360 173.051 174.600 -0.316 0.000 1.141 267 S CA -0.689 57.489 58.200 -0.037 0.000 0.843 267 S CB 1.743 65.001 63.200 0.096 0.000 1.122 267 S HN 1.398 nan 8.310 nan 0.000 0.468 268 V N 1.620 120.966 119.914 -0.946 0.000 2.709 268 V HA 0.839 4.959 4.120 -0.000 0.000 0.308 268 V C -2.159 173.412 176.094 -0.872 0.000 1.062 268 V CA -0.510 61.266 62.300 -0.874 0.000 0.901 268 V CB 1.489 32.440 31.823 -1.454 0.000 1.003 268 V HN 0.967 nan 8.190 nan 0.000 0.425 269 W N 4.447 125.590 121.300 -0.260 0.000 2.950 269 W HA 0.686 5.346 4.660 -0.000 0.000 0.340 269 W C -0.413 176.161 176.519 0.093 0.000 1.139 269 W CA -0.788 56.537 57.345 -0.032 0.000 1.188 269 W CB 1.469 30.914 29.460 -0.025 0.000 1.426 269 W HN 0.438 nan 8.180 nan 0.000 0.531 270 L N 4.553 126.058 121.223 0.470 0.000 2.483 270 L HA 0.062 4.402 4.340 -0.000 0.000 0.276 270 L C -0.819 176.154 176.870 0.171 0.000 1.213 270 L CA -1.025 54.044 54.840 0.382 0.000 0.843 270 L CB 0.698 42.970 42.059 0.356 0.000 1.107 270 L HN 0.243 nan 8.230 nan 0.000 0.487 271 P HA 0.051 nan 4.420 nan 0.000 0.245 271 P C 0.385 177.996 177.300 0.518 0.000 1.212 271 P CA 0.596 63.675 63.100 -0.035 0.000 0.774 271 P CB 0.536 31.997 31.700 -0.399 0.000 0.999 272 G N -0.926 108.123 108.800 0.415 0.000 2.927 272 G HA2 0.106 4.066 3.960 -0.000 0.000 0.234 272 G HA3 0.106 4.066 3.960 -0.000 0.000 0.234 272 G C -1.021 173.999 174.900 0.200 0.000 3.444 272 G CA -0.633 44.684 45.100 0.363 0.000 0.715 272 G HN 0.054 nan 8.290 nan 0.000 0.422 273 V N 1.077 121.001 119.914 0.016 0.000 2.487 273 V HA 0.731 4.851 4.120 -0.000 0.000 0.298 273 V C 0.230 176.300 176.094 -0.040 0.000 1.028 273 V CA -1.035 61.179 62.300 -0.143 0.000 0.860 273 V CB 1.808 33.401 31.823 -0.384 0.000 0.991 273 V HN 0.520 nan 8.190 nan 0.000 0.427 274 L N 4.244 125.469 121.223 0.003 0.000 2.357 274 L HA 0.606 4.946 4.340 -0.000 0.000 0.273 274 L C -0.076 176.851 176.870 0.095 0.000 1.080 274 L CA 0.209 55.092 54.840 0.072 0.000 0.803 274 L CB 1.140 43.313 42.059 0.190 0.000 1.174 274 L HN 0.734 nan 8.230 nan 0.000 0.443 275 K N 3.720 124.174 120.400 0.090 0.000 2.613 275 K HA 0.509 4.829 4.320 -0.000 0.000 0.248 275 K C -2.037 174.529 176.600 -0.056 0.000 0.959 275 K CA -0.591 55.673 56.287 -0.038 0.000 0.855 275 K CB 1.416 33.973 32.500 0.095 0.000 1.143 275 K HN 0.443 nan 8.250 nan 0.000 0.437 276 V N 3.271 123.109 119.914 -0.127 0.000 2.370 276 V HA 0.306 4.426 4.120 -0.000 0.000 0.283 276 V C -0.635 175.417 176.094 -0.071 0.000 1.023 276 V CA -0.650 61.601 62.300 -0.081 0.000 0.857 276 V CB 1.343 33.097 31.823 -0.116 0.000 0.985 276 V HN 0.720 nan 8.190 nan 0.000 0.443 277 D N 6.787 127.161 120.400 -0.043 0.000 2.542 277 D HA 0.483 5.123 4.640 -0.000 0.000 0.252 277 D C -2.869 173.433 176.300 0.004 0.000 1.222 277 D CA -1.589 52.391 54.000 -0.033 0.000 0.895 277 D CB 3.204 43.978 40.800 -0.042 0.000 1.207 277 D HN 0.302 nan 8.370 nan 0.000 0.558 278 P HA 0.578 nan 4.420 nan 0.000 0.287 278 P C -1.158 176.231 177.300 0.149 0.000 1.279 278 P CA -0.672 62.446 63.100 0.030 0.000 0.867 278 P CB 1.709 33.407 31.700 -0.002 0.000 1.127 279 F N 1.823 121.707 119.950 -0.110 0.000 2.725 279 F HA 0.282 4.809 4.527 -0.000 0.000 0.311 279 F C -2.336 173.365 175.800 -0.166 0.000 1.121 279 F CA -1.594 56.342 58.000 -0.106 0.000 0.978 279 F CB 2.209 41.150 39.000 -0.099 0.000 1.274 279 F HN 0.131 nan 8.300 nan 0.000 0.440 280 P HA 0.130 nan 4.420 nan 0.000 0.257 280 P C -0.960 176.038 177.300 -0.503 0.000 1.325 280 P CA 0.737 62.975 63.100 -1.437 0.000 0.850 280 P CB 0.320 31.341 31.700 -1.132 0.000 1.324 281 D N -0.997 119.195 120.400 -0.347 0.000 2.661 281 D HA 0.290 4.930 4.640 -0.000 0.000 0.228 281 D C -2.165 174.061 176.300 -0.124 0.000 1.210 281 D CA -2.155 51.755 54.000 -0.151 0.000 0.826 281 D CB 1.732 42.425 40.800 -0.178 0.000 1.542 281 D HN -0.390 nan 8.370 nan 0.000 0.447 282 P HA -0.100 nan 4.420 nan 0.000 0.218 282 P C 0.784 178.053 177.300 -0.052 0.000 1.146 282 P CA 1.511 64.597 63.100 -0.022 0.000 0.813 282 P CB 0.036 31.740 31.700 0.008 0.000 0.778 283 T N -4.486 110.023 114.554 -0.075 0.000 3.219 283 T HA 0.254 4.604 4.350 -0.000 0.000 0.249 283 T C 0.376 174.956 174.700 -0.201 0.000 1.099 283 T CA 0.103 62.142 62.100 -0.100 0.000 0.988 283 T CB -0.690 68.153 68.868 -0.041 0.000 0.999 283 T HN -0.078 nan 8.240 nan 0.000 0.550 284 L N 0.011 121.095 121.223 -0.232 0.000 2.359 284 L HA 0.688 5.028 4.340 -0.000 0.000 0.256 284 L C -0.898 175.865 176.870 -0.179 0.000 1.026 284 L CA -1.509 53.165 54.840 -0.276 0.000 0.828 284 L CB 2.470 44.265 42.059 -0.439 0.000 1.406 284 L HN 0.042 nan 8.230 nan 0.000 0.413 285 I N 1.079 121.550 120.570 -0.165 0.000 2.545 285 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 285 I C -0.818 175.181 176.117 -0.198 0.000 1.040 285 I CA -0.437 60.751 61.300 -0.186 0.000 1.068 285 I CB 2.296 40.155 38.000 -0.235 0.000 1.251 285 I HN 0.572 nan 8.210 nan 0.000 0.424 286 Q N 5.044 124.733 119.800 -0.186 0.000 2.322 286 Q HA 0.466 4.806 4.340 -0.000 0.000 0.265 286 Q C -1.940 173.943 176.000 -0.195 0.000 0.985 286 Q CA -0.581 55.186 55.803 -0.060 0.000 0.849 286 Q CB 1.589 30.419 28.738 0.154 0.000 1.274 286 Q HN 0.478 nan 8.270 nan 0.000 0.449 287 Y N 1.474 121.877 120.300 0.172 0.000 2.409 287 Y HA 0.429 4.979 4.550 -0.000 0.000 0.339 287 Y C -0.252 175.715 175.900 0.112 0.000 1.033 287 Y CA -0.662 57.521 58.100 0.140 0.000 1.094 287 Y CB 1.893 40.533 38.460 0.301 0.000 1.210 287 Y HN 0.507 nan 8.280 nan 0.000 0.456 288 E N 2.738 122.985 120.200 0.078 0.000 2.272 288 E HA 0.462 4.812 4.350 -0.000 0.000 0.269 288 E C -1.758 174.615 176.600 -0.378 0.000 0.877 288 E CA -0.757 55.629 56.400 -0.023 0.000 0.755 288 E CB 2.240 31.981 29.700 0.068 0.000 1.192 288 E HN 0.350 nan 8.360 nan 0.000 0.422 289 F N 1.036 120.842 119.950 -0.240 0.000 2.546 289 F HA 0.418 4.945 4.527 -0.000 0.000 0.320 289 F C -0.560 175.122 175.800 -0.197 0.000 1.076 289 F CA -0.797 57.114 58.000 -0.149 0.000 0.928 289 F CB 1.144 40.079 39.000 -0.107 0.000 1.189 289 F HN 0.373 nan 8.300 nan 0.000 0.465 290 Y N 1.469 122.117 120.300 0.579 0.000 2.662 290 Y HA 0.458 5.008 4.550 -0.000 0.000 0.358 290 Y C -0.656 175.537 175.900 0.488 0.000 1.041 290 Y CA -1.120 57.328 58.100 0.581 0.000 1.184 290 Y CB 0.572 39.230 38.460 0.330 0.000 1.114 290 Y HN 0.183 nan 8.280 nan 0.000 0.650 291 V N 3.727 123.966 119.914 0.540 0.000 2.470 291 V HA 0.202 4.321 4.120 -0.000 0.000 0.276 291 V C -2.119 174.099 176.094 0.207 0.000 1.040 291 V CA -2.058 60.398 62.300 0.260 0.000 1.008 291 V CB 0.655 32.599 31.823 0.200 0.000 0.990 291 V HN 0.347 nan 8.190 nan 0.000 0.477 292 P HA 0.199 nan 4.420 nan 0.000 0.266 292 P C 0.457 177.770 177.300 0.023 0.000 1.195 292 P CA 0.343 63.455 63.100 0.019 0.000 0.768 292 P CB 0.862 32.389 31.700 -0.289 0.000 0.838 293 I N 0.133 120.761 120.570 0.097 0.000 3.393 293 I HA 0.033 4.203 4.170 -0.000 0.000 0.250 293 I C 1.147 177.289 176.117 0.041 0.000 1.122 293 I CA 0.699 62.033 61.300 0.057 0.000 1.484 293 I CB 0.100 38.147 38.000 0.079 0.000 1.468 293 I HN 0.405 nan 8.210 nan 0.000 0.461 294 S N -0.509 115.239 115.700 0.080 0.000 2.851 294 S HA 0.356 4.826 4.470 -0.000 0.000 0.317 294 S C 0.243 174.909 174.600 0.110 0.000 1.144 294 S CA -0.574 57.668 58.200 0.070 0.000 0.862 294 S CB 1.521 64.760 63.200 0.064 0.000 1.259 294 S HN 0.046 nan 8.310 nan 0.000 0.564 295 E N 0.838 121.097 120.200 0.099 0.000 2.347 295 E HA 0.035 4.385 4.350 -0.000 0.000 0.196 295 E C 1.386 178.078 176.600 0.154 0.000 1.008 295 E CA 1.466 57.942 56.400 0.126 0.000 0.852 295 E CB -0.175 29.580 29.700 0.092 0.000 0.783 295 E HN 0.812 nan 8.360 nan 0.000 0.505 296 T N -3.319 111.319 114.554 0.141 0.000 3.084 296 T HA 0.266 4.616 4.350 -0.000 0.000 0.270 296 T C 0.339 175.142 174.700 0.172 0.000 1.008 296 T CA -0.471 61.718 62.100 0.147 0.000 0.900 296 T CB 0.277 69.211 68.868 0.110 0.000 1.084 296 T HN -0.123 nan 8.240 nan 0.000 0.538 297 Q N 1.159 121.076 119.800 0.195 0.000 2.456 297 Q HA 0.537 4.877 4.340 -0.000 0.000 0.283 297 Q C -1.164 175.016 176.000 0.298 0.000 1.084 297 Q CA -1.133 54.788 55.803 0.196 0.000 0.801 297 Q CB 2.116 30.918 28.738 0.107 0.000 1.434 297 Q HN 0.628 nan 8.270 nan 0.000 0.419 298 H N -0.967 118.217 119.070 0.191 0.000 3.037 298 H HA 0.500 5.056 4.556 -0.000 0.000 0.355 298 H C -1.466 174.004 175.328 0.238 0.000 1.263 298 H CA -0.946 55.248 56.048 0.243 0.000 1.129 298 H CB 1.865 31.846 29.762 0.365 0.000 1.861 298 H HN 0.582 nan 8.280 nan 0.000 0.546 299 E N 1.569 121.954 120.200 0.307 0.000 2.115 299 E HA 0.170 4.520 4.350 -0.000 0.000 0.282 299 E C -1.625 175.223 176.600 0.414 0.000 0.987 299 E CA -0.654 55.867 56.400 0.202 0.000 0.797 299 E CB 0.285 30.099 29.700 0.190 0.000 1.086 299 E HN 0.426 nan 8.360 nan 0.000 0.397 300 Y N 6.269 126.635 120.300 0.111 0.000 2.477 300 Y HA 0.366 4.916 4.550 -0.000 0.000 0.349 300 Y C -1.514 174.441 175.900 0.091 0.000 0.977 300 Y CA -1.269 56.957 58.100 0.210 0.000 1.214 300 Y CB -0.071 38.502 38.460 0.189 0.000 1.124 300 Y HN 0.391 nan 8.280 nan 0.000 0.521 301 F N 4.359 124.281 119.950 -0.047 0.000 2.404 301 F HA 0.485 5.012 4.527 -0.000 0.000 0.339 301 F C -0.120 175.572 175.800 -0.181 0.000 1.105 301 F CA -0.449 57.501 58.000 -0.084 0.000 1.087 301 F CB 1.513 40.513 39.000 0.001 0.000 1.143 301 F HN 0.360 nan 8.300 nan 0.000 0.491 302 Q N 2.632 122.451 119.800 0.031 0.000 2.309 302 Q HA 0.622 4.962 4.340 -0.000 0.000 0.270 302 Q C -1.491 174.678 176.000 0.282 0.000 1.023 302 Q CA -0.700 55.127 55.803 0.040 0.000 0.758 302 Q CB 2.729 31.365 28.738 -0.170 0.000 1.247 302 Q HN 0.404 nan 8.270 nan 0.000 0.455 303 V N 4.117 124.268 119.914 0.395 0.000 2.483 303 V HA 0.446 4.566 4.120 -0.000 0.000 0.297 303 V C -0.465 175.853 176.094 0.374 0.000 1.027 303 V CA -0.717 61.840 62.300 0.429 0.000 0.855 303 V CB 1.482 33.659 31.823 0.590 0.000 0.995 303 V HN 0.664 nan 8.190 nan 0.000 0.424 304 L N 4.443 125.835 121.223 0.281 0.000 2.289 304 L HA 0.604 4.944 4.340 -0.000 0.000 0.285 304 L C -0.036 176.970 176.870 0.227 0.000 1.049 304 L CA -0.223 54.761 54.840 0.240 0.000 0.804 304 L CB 1.533 43.760 42.059 0.280 0.000 1.195 304 L HN 0.696 nan 8.230 nan 0.000 0.428 305 Q N 3.467 123.321 119.800 0.090 0.000 2.316 305 Q HA 0.505 4.845 4.340 -0.000 0.000 0.264 305 Q C -1.003 174.836 176.000 -0.268 0.000 0.987 305 Q CA -0.912 54.873 55.803 -0.030 0.000 0.852 305 Q CB 1.988 30.789 28.738 0.105 0.000 1.287 305 Q HN 0.474 nan 8.270 nan 0.000 0.448 306 R N 2.834 123.051 120.500 -0.472 0.000 2.534 306 R HA 0.333 4.673 4.340 -0.000 0.000 0.301 306 R C -1.527 174.588 176.300 -0.309 0.000 0.961 306 R CA -0.606 55.135 56.100 -0.598 0.000 0.871 306 R CB 1.303 30.794 30.300 -1.348 0.000 1.170 306 R HN 0.569 nan 8.270 nan 0.000 0.446 307 K N 2.935 123.211 120.400 -0.207 0.000 2.412 307 K HA 0.245 4.565 4.320 -0.000 0.000 0.281 307 K C -0.996 175.547 176.600 -0.095 0.000 1.027 307 K CA -0.242 55.975 56.287 -0.117 0.000 0.989 307 K CB 0.679 33.128 32.500 -0.085 0.000 0.935 307 K HN 0.394 nan 8.250 nan 0.000 0.475 308 V N 4.878 124.759 119.914 -0.055 0.000 2.417 308 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 308 V C 0.115 176.198 176.094 -0.019 0.000 1.024 308 V CA -0.300 61.983 62.300 -0.027 0.000 0.861 308 V CB 1.489 33.313 31.823 0.002 0.000 0.985 308 V HN 0.961 nan 8.190 nan 0.000 0.436 309 E N 2.545 122.737 120.200 -0.014 0.000 2.474 309 E HA 0.328 4.678 4.350 -0.000 0.000 0.215 309 E C 0.711 177.309 176.600 -0.005 0.000 0.867 309 E CA 0.330 56.724 56.400 -0.009 0.000 1.135 309 E CB 1.334 31.029 29.700 -0.009 0.000 1.147 309 E HN 0.790 nan 8.360 nan 0.000 0.534 310 G N 0.570 109.369 108.800 -0.002 0.000 2.563 310 G HA2 0.355 4.315 3.960 -0.000 0.000 0.302 310 G HA3 0.355 4.315 3.960 -0.000 0.000 0.302 310 G C -2.460 172.438 174.900 -0.003 0.000 1.301 310 G CA -1.457 43.643 45.100 -0.001 0.000 0.965 310 G HN -0.247 nan 8.290 nan 0.000 0.480 311 P HA -0.025 nan 4.420 nan 0.000 0.222 311 P C 1.277 178.571 177.300 -0.011 0.000 1.147 311 P CA 0.760 63.854 63.100 -0.010 0.000 0.790 311 P CB 0.602 32.298 31.700 -0.007 0.000 0.780 312 E N 0.517 120.716 120.200 -0.001 0.000 2.112 312 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 312 E C 1.164 177.776 176.600 0.020 0.000 0.979 312 E CA 1.184 57.588 56.400 0.007 0.000 0.814 312 E CB -0.762 28.944 29.700 0.010 0.000 0.762 312 E HN 0.284 nan 8.360 nan 0.000 0.460 313 D N -1.087 119.328 120.400 0.025 0.000 2.378 313 D HA -0.084 4.556 4.640 -0.000 0.000 0.227 313 D C 1.419 177.764 176.300 0.076 0.000 1.012 313 D CA 0.320 54.352 54.000 0.052 0.000 0.905 313 D CB 0.074 40.898 40.800 0.040 0.000 0.895 313 D HN 0.108 nan 8.370 nan 0.000 0.532 314 V N 0.341 120.267 119.914 0.019 0.000 2.535 314 V HA -0.127 3.993 4.120 -0.000 0.000 0.246 314 V C 2.486 178.573 176.094 -0.011 0.000 1.045 314 V CA 1.270 63.547 62.300 -0.038 0.000 1.058 314 V CB -0.481 31.224 31.823 -0.196 0.000 0.689 314 V HN 0.276 nan 8.190 nan 0.000 0.461 315 K N 0.317 120.713 120.400 -0.007 0.000 2.155 315 K HA -0.148 4.172 4.320 -0.000 0.000 0.203 315 K C 1.999 178.633 176.600 0.056 0.000 1.052 315 K CA 1.845 58.135 56.287 0.004 0.000 0.948 315 K CB -0.271 32.228 32.500 -0.002 0.000 0.728 315 K HN 0.454 nan 8.250 nan 0.000 0.448 316 T N 1.296 115.906 114.554 0.093 0.000 2.821 316 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 316 T C 1.375 176.219 174.700 0.239 0.000 1.046 316 T CA 1.146 63.323 62.100 0.129 0.000 1.139 316 T CB -0.327 68.613 68.868 0.121 0.000 0.871 316 T HN 0.259 nan 8.240 nan 0.000 0.454 317 F N 2.353 122.366 119.950 0.104 0.000 2.146 317 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 317 F C 2.089 178.028 175.800 0.232 0.000 1.096 317 F CA 1.074 59.194 58.000 0.200 0.000 1.275 317 F CB -0.581 38.507 39.000 0.147 0.000 1.008 317 F HN 0.197 nan 8.300 nan 0.000 0.480 318 E N -0.326 119.866 120.200 -0.013 0.000 2.153 318 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 318 E C 2.321 178.934 176.600 0.021 0.000 0.988 318 E CA 1.371 57.701 56.400 -0.117 0.000 0.811 318 E CB -0.253 29.402 29.700 -0.074 0.000 0.746 318 E HN 0.310 nan 8.360 nan 0.000 0.466 319 V N 1.445 121.389 119.914 0.050 0.000 2.379 319 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 319 V C 1.957 178.059 176.094 0.013 0.000 1.044 319 V CA 1.693 64.012 62.300 0.032 0.000 1.036 319 V CB -0.355 31.483 31.823 0.025 0.000 0.664 319 V HN 0.215 nan 8.190 nan 0.000 0.453 320 E N -0.522 119.708 120.200 0.052 0.000 2.150 320 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 320 E C 2.023 178.514 176.600 -0.181 0.000 0.985 320 E CA 1.365 57.696 56.400 -0.115 0.000 0.814 320 E CB -0.201 29.501 29.700 0.003 0.000 0.752 320 E HN 0.607 nan 8.360 nan 0.000 0.466 321 F N 2.164 122.096 119.950 -0.030 0.000 2.075 321 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 321 F C 2.387 178.149 175.800 -0.062 0.000 1.113 321 F CA 1.785 59.801 58.000 0.028 0.000 1.218 321 F CB 0.029 38.910 39.000 -0.198 0.000 0.984 321 F HN -0.120 nan 8.300 nan 0.000 0.472 322 E N 0.515 120.742 120.200 0.044 0.000 2.110 322 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 322 E C 1.837 178.368 176.600 -0.116 0.000 0.988 322 E CA 1.930 58.307 56.400 -0.039 0.000 0.804 322 E CB -0.287 29.427 29.700 0.024 0.000 0.745 322 E HN 0.630 nan 8.360 nan 0.000 0.458 323 E N -1.012 119.112 120.200 -0.128 0.000 2.340 323 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 323 E C 1.896 178.381 176.600 -0.192 0.000 0.996 323 E CA 0.214 56.531 56.400 -0.139 0.000 0.869 323 E CB 0.519 30.148 29.700 -0.118 0.000 0.835 323 E HN 0.063 nan 8.360 nan 0.000 0.493 324 R N -0.604 119.719 120.500 -0.295 0.000 3.749 324 R HA 0.055 4.395 4.340 -0.000 0.000 0.142 324 R C 1.236 177.369 176.300 -0.279 0.000 0.750 324 R CA 0.037 55.941 56.100 -0.327 0.000 1.004 324 R CB -0.409 29.576 30.300 -0.525 0.000 1.509 324 R HN 0.054 nan 8.270 nan 0.000 0.494 325 W N 2.000 123.189 121.300 -0.184 0.000 2.302 325 W HA -0.235 4.425 4.660 -0.000 0.000 0.320 325 W C 2.416 178.620 176.519 -0.524 0.000 1.241 325 W CA 1.450 58.608 57.345 -0.311 0.000 1.264 325 W CB -0.317 29.096 29.460 -0.078 0.000 1.154 325 W HN 0.238 nan 8.180 nan 0.000 0.483 326 R N 0.626 120.777 120.500 -0.581 0.000 2.070 326 R HA -0.180 4.160 4.340 -0.000 0.000 0.233 326 R C 1.704 177.854 176.300 -0.250 0.000 1.137 326 R CA 2.355 58.072 56.100 -0.639 0.000 0.945 326 R CB -0.505 29.208 30.300 -0.979 0.000 0.845 326 R HN 0.065 nan 8.270 nan 0.000 0.430 327 D N 0.169 120.471 120.400 -0.163 0.000 2.149 327 D HA -0.083 4.557 4.640 -0.000 0.000 0.206 327 D C 1.407 177.699 176.300 -0.013 0.000 0.967 327 D CA 1.012 55.010 54.000 -0.004 0.000 0.848 327 D CB -0.294 40.484 40.800 -0.037 0.000 0.998 327 D HN 0.271 nan 8.370 nan 0.000 0.474 328 D N 0.293 120.643 120.400 -0.082 0.000 2.269 328 D HA -0.000 4.640 4.640 -0.000 0.000 0.208 328 D C 1.547 177.676 176.300 -0.284 0.000 0.963 328 D CA 0.754 54.735 54.000 -0.032 0.000 0.864 328 D CB 0.292 41.167 40.800 0.127 0.000 0.936 328 D HN 0.168 nan 8.370 nan 0.000 0.505 329 A N 0.071 122.553 122.820 -0.564 0.000 2.080 329 A HA 0.185 4.505 4.320 -0.000 0.000 0.211 329 A C 2.053 179.444 177.584 -0.322 0.000 1.708 329 A CA -0.231 51.299 52.037 -0.845 0.000 0.825 329 A CB -0.560 17.648 19.000 -1.319 0.000 1.261 329 A HN 0.051 nan 8.150 nan 0.000 0.573 330 L N -0.218 120.844 121.223 -0.269 0.000 2.189 330 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 330 L C 2.403 179.141 176.870 -0.220 0.000 1.097 330 L CA 1.306 56.026 54.840 -0.201 0.000 0.764 330 L CB -0.564 41.331 42.059 -0.273 0.000 0.900 330 L HN 0.519 nan 8.230 nan 0.000 0.436 331 H N -1.462 117.596 119.070 -0.019 0.000 2.367 331 H HA 0.126 4.682 4.556 -0.000 0.000 0.304 331 H C 2.184 177.549 175.328 0.061 0.000 1.023 331 H CA 0.973 57.043 56.048 0.037 0.000 1.342 331 H CB -0.394 29.371 29.762 0.005 0.000 1.486 331 H HN 0.179 nan 8.280 nan 0.000 0.596 332 G N 0.294 109.188 108.800 0.158 0.000 2.469 332 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 332 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 332 G C 1.506 176.523 174.900 0.195 0.000 1.136 332 G CA 1.074 46.269 45.100 0.158 0.000 0.759 332 G HN 0.339 nan 8.290 nan 0.000 0.562 333 F N 0.678 120.621 119.950 -0.011 0.000 2.419 333 F HA 0.279 4.806 4.527 -0.000 0.000 0.283 333 F C 2.183 177.985 175.800 0.004 0.000 1.044 333 F CA 0.630 58.631 58.000 0.001 0.000 1.376 333 F CB 0.103 39.048 39.000 -0.092 0.000 1.131 333 F HN 0.107 nan 8.300 nan 0.000 0.585 334 N N 0.113 118.985 118.700 0.287 0.000 2.463 334 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 334 N C 0.984 176.628 175.510 0.224 0.000 1.078 334 N CA 0.629 53.843 53.050 0.274 0.000 0.902 334 N CB -0.063 38.659 38.487 0.393 0.000 0.970 334 N HN 0.124 nan 8.380 nan 0.000 0.451 335 D N 1.239 121.767 120.400 0.214 0.000 2.158 335 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 335 D C 1.157 177.553 176.300 0.159 0.000 0.995 335 D CA 1.115 55.257 54.000 0.237 0.000 0.846 335 D CB -0.189 40.771 40.800 0.267 0.000 0.941 335 D HN 0.252 nan 8.370 nan 0.000 0.456 336 D N 0.489 120.941 120.400 0.086 0.000 2.178 336 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 336 D C 1.430 177.372 176.300 -0.596 0.000 0.980 336 D CA 0.616 54.476 54.000 -0.234 0.000 0.842 336 D CB -0.175 40.550 40.800 -0.125 0.000 0.948 336 D HN 0.241 nan 8.370 nan 0.000 0.472 337 D N 0.224 120.532 120.400 -0.153 0.000 2.218 337 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 337 D C 2.206 178.376 176.300 -0.217 0.000 0.976 337 D CA 0.265 54.175 54.000 -0.150 0.000 0.853 337 D CB 0.212 41.048 40.800 0.060 0.000 0.939 337 D HN 0.099 nan 8.370 nan 0.000 0.481 338 V N 1.657 121.497 119.914 -0.124 0.000 2.237 338 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 338 V C 2.466 178.586 176.094 0.044 0.000 1.046 338 V CA 1.739 64.032 62.300 -0.012 0.000 1.007 338 V CB -0.855 31.038 31.823 0.118 0.000 0.638 338 V HN 0.440 nan 8.190 nan 0.000 0.445 339 W N 0.857 122.190 121.300 0.056 0.000 2.465 339 W HA 0.043 4.703 4.660 -0.000 0.000 0.268 339 W C 2.155 178.694 176.519 0.034 0.000 1.242 339 W CA 0.858 58.228 57.345 0.042 0.000 1.248 339 W CB -0.975 28.506 29.460 0.036 0.000 1.118 339 W HN 0.268 nan 8.180 nan 0.000 0.587 340 A N 2.236 124.829 122.820 -0.379 0.000 1.877 340 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 340 A C 2.232 179.767 177.584 -0.082 0.000 1.186 340 A CA 1.900 53.724 52.037 -0.356 0.000 0.620 340 A CB -0.786 17.876 19.000 -0.563 0.000 0.822 340 A HN 0.326 nan 8.150 nan 0.000 0.443 341 R N -0.239 120.218 120.500 -0.071 0.000 2.075 341 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 341 R C 2.046 178.386 176.300 0.067 0.000 1.126 341 R CA 1.460 57.551 56.100 -0.015 0.000 0.963 341 R CB -0.347 29.964 30.300 0.019 0.000 0.858 341 R HN 0.658 nan 8.270 nan 0.000 0.435 342 E N 0.773 121.041 120.200 0.114 0.000 2.204 342 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 342 E C 1.811 178.499 176.600 0.148 0.000 0.990 342 E CA 1.004 57.489 56.400 0.141 0.000 0.821 342 E CB -0.056 29.739 29.700 0.159 0.000 0.750 342 E HN 0.364 nan 8.360 nan 0.000 0.477 343 A N 0.819 123.743 122.820 0.174 0.000 2.168 343 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 343 A C 1.801 179.467 177.584 0.137 0.000 1.152 343 A CA 0.854 52.994 52.037 0.171 0.000 0.716 343 A CB -0.051 19.095 19.000 0.242 0.000 0.794 343 A HN 0.164 nan 8.150 nan 0.000 0.465 344 Q N -1.668 118.214 119.800 0.136 0.000 2.352 344 Q HA -0.025 4.315 4.340 -0.000 0.000 0.212 344 Q C 1.905 178.045 176.000 0.234 0.000 0.888 344 Q CA 0.438 56.362 55.803 0.202 0.000 0.934 344 Q CB 0.111 28.949 28.738 0.167 0.000 1.093 344 Q HN 0.606 nan 8.270 nan 0.000 0.523 345 Q N 2.116 122.009 119.800 0.155 0.000 2.045 345 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 345 Q C 1.702 177.783 176.000 0.135 0.000 0.991 345 Q CA 2.038 57.924 55.803 0.138 0.000 0.851 345 Q CB -0.075 28.735 28.738 0.120 0.000 0.911 345 Q HN 0.438 nan 8.270 nan 0.000 0.418 346 E N -1.348 118.929 120.200 0.129 0.000 2.038 346 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 346 E C 1.815 178.479 176.600 0.106 0.000 1.000 346 E CA 1.224 57.688 56.400 0.106 0.000 0.803 346 E CB -0.411 29.348 29.700 0.098 0.000 0.750 346 E HN 0.426 nan 8.360 nan 0.000 0.448 347 F N 0.437 120.362 119.950 -0.041 0.000 2.043 347 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 347 F C 1.900 177.539 175.800 -0.268 0.000 1.121 347 F CA 1.895 59.795 58.000 -0.165 0.000 1.199 347 F CB -0.727 38.134 39.000 -0.232 0.000 0.968 347 F HN 0.119 nan 8.300 nan 0.000 0.478 348 Y N -0.483 119.624 120.300 -0.322 0.000 2.337 348 Y HA 0.090 4.640 4.550 -0.000 0.000 0.293 348 Y C 2.632 178.371 175.900 -0.268 0.000 1.123 348 Y CA 1.127 58.858 58.100 -0.615 0.000 1.201 348 Y CB -0.947 37.018 38.460 -0.825 0.000 1.011 348 Y HN 0.134 nan 8.280 nan 0.000 0.545 349 G N -0.900 107.934 108.800 0.057 0.000 2.539 349 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.215 349 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.215 349 G C 1.350 176.286 174.900 0.060 0.000 1.141 349 G CA 0.491 45.655 45.100 0.107 0.000 0.806 349 G HN 0.201 nan 8.290 nan 0.000 0.533 350 E N -0.422 119.787 120.200 0.014 0.000 2.541 350 E HA 0.170 4.520 4.350 -0.000 0.000 0.219 350 E C 1.398 177.979 176.600 -0.031 0.000 0.922 350 E CA -0.065 56.341 56.400 0.009 0.000 1.095 350 E CB 0.798 30.514 29.700 0.028 0.000 1.112 350 E HN 0.279 nan 8.360 nan 0.000 0.516 351 R N 1.238 121.673 120.500 -0.110 0.000 2.629 351 R HA 0.079 4.419 4.340 -0.000 0.000 0.386 351 R C -0.535 175.587 176.300 -0.296 0.000 1.071 351 R CA -0.018 55.988 56.100 -0.158 0.000 1.104 351 R CB 0.354 30.597 30.300 -0.094 0.000 1.370 351 R HN -0.101 nan 8.270 nan 0.000 0.574 352 D N -0.124 120.127 120.400 -0.248 0.000 2.837 352 D HA -0.151 4.489 4.640 -0.000 0.000 0.230 352 D C 1.147 177.148 176.300 -0.498 0.000 1.152 352 D CA 1.027 54.900 54.000 -0.212 0.000 0.736 352 D CB -0.918 39.818 40.800 -0.108 0.000 1.084 352 D HN 0.488 nan 8.370 nan 0.000 0.429 353 G N -0.942 107.212 108.800 -1.077 0.000 2.479 353 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 353 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 353 G C 1.316 175.609 174.900 -1.013 0.000 1.115 353 G CA 0.893 44.780 45.100 -2.021 0.000 0.757 353 G HN 0.554 nan 8.290 nan 0.000 0.560 354 W N 1.225 122.394 121.300 -0.219 0.000 2.392 354 W HA -0.004 4.656 4.660 -0.000 0.000 0.279 354 W C 2.742 179.339 176.519 0.129 0.000 1.225 354 W CA 1.195 58.638 57.345 0.163 0.000 1.233 354 W CB 0.102 29.689 29.460 0.212 0.000 1.122 354 W HN 0.316 nan 8.180 nan 0.000 0.561 355 S N -1.558 114.244 115.700 0.170 0.000 2.559 355 S HA 0.213 4.683 4.470 -0.000 0.000 0.226 355 S C 1.138 175.775 174.600 0.062 0.000 1.000 355 S CA -0.338 57.941 58.200 0.132 0.000 0.948 355 S CB 0.056 63.308 63.200 0.088 0.000 0.870 355 S HN 0.188 nan 8.310 nan 0.000 0.497 356 K N 1.452 121.841 120.400 -0.018 0.000 2.380 356 K HA 0.153 4.473 4.320 -0.000 0.000 0.198 356 K C 0.332 177.042 176.600 0.184 0.000 1.070 356 K CA -0.009 56.308 56.287 0.050 0.000 1.040 356 K CB 0.472 32.979 32.500 0.012 0.000 0.903 356 K HN 0.712 nan 8.250 nan 0.000 0.549 357 E N 1.733 122.044 120.200 0.185 0.000 2.422 357 E HA -0.035 4.315 4.350 -0.000 0.000 0.260 357 E C -0.655 176.053 176.600 0.179 0.000 1.108 357 E CA 0.203 56.754 56.400 0.251 0.000 0.943 357 E CB 0.421 30.296 29.700 0.292 0.000 0.961 357 E HN -0.011 nan 8.360 nan 0.000 0.443 358 Q N 2.260 122.137 119.800 0.128 0.000 2.394 358 Q HA 0.325 4.665 4.340 -0.000 0.000 0.261 358 Q C -0.703 175.368 176.000 0.118 0.000 1.023 358 Q CA -0.346 55.519 55.803 0.104 0.000 0.720 358 Q CB 1.384 30.149 28.738 0.044 0.000 1.241 358 Q HN 0.489 nan 8.270 nan 0.000 0.483 359 L N 2.471 123.805 121.223 0.186 0.000 2.439 359 L HA 0.561 4.901 4.340 -0.000 0.000 0.259 359 L C -0.133 176.936 176.870 0.331 0.000 1.129 359 L CA -0.762 54.235 54.840 0.263 0.000 0.803 359 L CB 0.217 42.425 42.059 0.249 0.000 1.161 359 L HN 0.453 nan 8.230 nan 0.000 0.462 360 F N -1.307 118.666 119.950 0.038 0.000 2.620 360 F HA 0.600 5.127 4.527 -0.000 0.000 0.320 360 F C -2.396 173.414 175.800 0.017 0.000 1.069 360 F CA -3.004 55.009 58.000 0.021 0.000 0.953 360 F CB -0.176 38.826 39.000 0.004 0.000 1.322 360 F HN 0.138 nan 8.300 nan 0.000 0.479 361 P HA -0.205 nan 4.420 nan 0.000 0.225 361 P C -1.543 175.530 177.300 -0.378 0.000 1.154 361 P CA 3.238 66.194 63.100 -0.241 0.000 0.933 361 P CB -1.166 30.422 31.700 -0.187 0.000 0.790 362 P HA -0.129 nan 4.420 nan 0.000 0.219 362 P C 0.838 177.947 177.300 -0.319 0.000 1.146 362 P CA 1.396 64.200 63.100 -0.492 0.000 0.808 362 P CB -0.472 30.841 31.700 -0.646 0.000 0.779 363 D N -1.663 118.557 120.400 -0.299 0.000 2.371 363 D HA -0.065 4.575 4.640 -0.000 0.000 0.221 363 D C 1.607 177.871 176.300 -0.061 0.000 0.986 363 D CA 0.510 54.460 54.000 -0.083 0.000 0.899 363 D CB -0.368 40.480 40.800 0.081 0.000 0.902 363 D HN 0.102 nan 8.370 nan 0.000 0.530 364 M N 1.031 120.583 119.600 -0.080 0.000 2.202 364 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 364 M C 2.250 178.542 176.300 -0.013 0.000 1.063 364 M CA 1.259 56.538 55.300 -0.034 0.000 1.097 364 M CB -0.576 31.996 32.600 -0.047 0.000 1.382 364 M HN 0.288 nan 8.290 nan 0.000 0.413 365 C N -1.429 117.845 119.300 -0.043 0.000 2.440 365 C HA -0.034 4.426 4.460 -0.000 0.000 0.278 365 C C 2.475 177.574 174.990 0.183 0.000 1.295 365 C CA 0.402 59.434 59.018 0.022 0.000 1.738 365 C CB -1.715 25.894 27.740 -0.219 0.000 1.987 365 C HN 0.602 nan 8.230 nan 0.000 0.492 366 I N 1.390 121.990 120.570 0.050 0.000 2.252 366 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 366 I C 2.811 178.945 176.117 0.028 0.000 1.102 366 I CA 1.354 62.754 61.300 0.166 0.000 1.385 366 I CB -0.354 37.677 38.000 0.052 0.000 1.064 366 I HN 0.206 nan 8.210 nan 0.000 0.414 367 V N 1.007 120.872 119.914 -0.080 0.000 2.343 367 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 367 V C 2.386 178.382 176.094 -0.163 0.000 1.051 367 V CA 1.816 63.975 62.300 -0.235 0.000 1.036 367 V CB -0.665 31.129 31.823 -0.049 0.000 0.654 367 V HN 0.399 nan 8.190 nan 0.000 0.451 368 K N -0.765 119.628 120.400 -0.012 0.000 2.148 368 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 368 K C 2.042 178.628 176.600 -0.023 0.000 1.050 368 K CA 1.630 57.920 56.287 0.005 0.000 0.942 368 K CB -0.265 32.266 32.500 0.051 0.000 0.724 368 K HN 0.766 nan 8.250 nan 0.000 0.446 369 W N 2.803 124.020 121.300 -0.139 0.000 2.379 369 W HA -0.183 4.477 4.660 -0.000 0.000 0.307 369 W C 1.464 177.767 176.519 -0.359 0.000 1.200 369 W CA 1.087 58.297 57.345 -0.224 0.000 1.297 369 W CB -0.181 29.163 29.460 -0.193 0.000 1.140 369 W HN -0.059 nan 8.180 nan 0.000 0.507 370 R N 0.131 120.002 120.500 -1.050 0.000 2.091 370 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 370 R C 2.222 178.066 176.300 -0.760 0.000 1.136 370 R CA 2.253 57.417 56.100 -1.559 0.000 0.959 370 R CB -1.129 28.145 30.300 -1.711 0.000 0.856 370 R HN 0.154 nan 8.270 nan 0.000 0.437 371 T N 1.951 116.290 114.554 -0.358 0.000 2.777 371 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 371 T C 1.804 176.422 174.700 -0.137 0.000 1.040 371 T CA 1.014 63.082 62.100 -0.053 0.000 1.141 371 T CB -0.167 68.734 68.868 0.055 0.000 0.868 371 T HN 0.099 nan 8.240 nan 0.000 0.444 372 L N 1.428 122.517 121.223 -0.224 0.000 2.072 372 L HA 0.209 4.549 4.340 -0.000 0.000 0.205 372 L C 2.586 179.289 176.870 -0.278 0.000 1.079 372 L CA 1.791 56.511 54.840 -0.200 0.000 0.752 372 L CB -1.000 40.967 42.059 -0.154 0.000 0.906 372 L HN 0.190 nan 8.230 nan 0.000 0.436 373 A N -1.362 121.139 122.820 -0.533 0.000 1.902 373 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 373 A C 2.523 179.953 177.584 -0.257 0.000 1.181 373 A CA 1.886 53.572 52.037 -0.586 0.000 0.623 373 A CB -1.182 17.177 19.000 -1.069 0.000 0.818 373 A HN 0.544 nan 8.150 nan 0.000 0.443 374 S N -0.885 114.762 115.700 -0.088 0.000 2.383 374 S HA -0.170 4.300 4.470 -0.000 0.000 0.229 374 S C 1.971 176.603 174.600 0.053 0.000 1.030 374 S CA 1.631 59.909 58.200 0.129 0.000 1.002 374 S CB -0.306 62.996 63.200 0.170 0.000 0.829 374 S HN 0.564 nan 8.310 nan 0.000 0.467 375 E N 0.449 120.634 120.200 -0.024 0.000 2.076 375 E HA 0.079 4.429 4.350 -0.000 0.000 0.190 375 E C 1.943 178.528 176.600 -0.026 0.000 0.979 375 E CA 0.688 57.077 56.400 -0.019 0.000 0.807 375 E CB -0.047 29.629 29.700 -0.039 0.000 0.761 375 E HN 0.321 nan 8.360 nan 0.000 0.454 376 R N 0.080 120.536 120.500 -0.073 0.000 2.365 376 R HA 0.195 4.535 4.340 -0.000 0.000 0.223 376 R C 0.742 177.070 176.300 0.047 0.000 0.899 376 R CA 0.111 56.214 56.100 0.005 0.000 1.059 376 R CB -0.120 30.155 30.300 -0.043 0.000 1.086 376 R HN -0.025 nan 8.270 nan 0.000 0.522 377 G N 0.887 109.511 108.800 -0.293 0.000 2.321 377 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.237 377 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.237 377 G C 0.604 175.512 174.900 0.013 0.000 1.282 377 G CA -0.319 44.433 45.100 -0.580 0.000 0.886 377 G HN 0.209 nan 8.290 nan 0.000 0.528 378 R N 1.360 121.973 120.500 0.188 0.000 2.240 378 R HA 0.153 4.493 4.340 -0.000 0.000 0.203 378 R C 1.177 177.516 176.300 0.065 0.000 1.011 378 R CA 0.802 56.900 56.100 -0.004 0.000 1.007 378 R CB 0.356 30.433 30.300 -0.372 0.000 0.911 378 R HN 0.579 nan 8.270 nan 0.000 0.468 379 G N -0.309 108.609 108.800 0.197 0.000 2.755 379 G HA2 0.389 4.349 3.960 -0.000 0.000 0.297 379 G HA3 0.389 4.349 3.960 -0.000 0.000 0.297 379 G C -1.561 173.525 174.900 0.311 0.000 1.441 379 G CA -0.575 44.639 45.100 0.191 0.000 0.964 379 G HN -0.102 nan 8.290 nan 0.000 0.540 380 V N 1.524 121.565 119.914 0.212 0.000 2.370 380 V HA 0.563 4.683 4.120 -0.000 0.000 0.279 380 V C 0.201 176.328 176.094 0.055 0.000 1.029 380 V CA -0.744 61.650 62.300 0.157 0.000 0.870 380 V CB 1.304 33.208 31.823 0.135 0.000 0.984 380 V HN 0.683 nan 8.190 nan 0.000 0.451 381 R N 4.394 124.890 120.500 -0.006 0.000 2.247 381 R HA 0.691 5.031 4.340 -0.000 0.000 0.329 381 R C 0.020 176.297 176.300 -0.038 0.000 1.014 381 R CA 0.045 56.126 56.100 -0.032 0.000 0.907 381 R CB 0.737 30.992 30.300 -0.074 0.000 1.146 381 R HN 0.845 nan 8.270 nan 0.000 0.499 382 A N 0.000 122.810 122.820 -0.016 0.000 2.254 382 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 382 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 382 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486