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 1rzz_1_M DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE CELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.884 175.900 -0.027 0.000 1.272 3 Y CA 0.000 58.092 58.100 -0.014 0.000 1.940 3 Y CB 0.000 38.452 38.460 -0.014 0.000 1.050 4 Q N 3.162 122.740 119.800 -0.370 0.000 2.360 4 Q HA 0.064 4.404 4.340 0.000 0.000 0.202 4 Q C 0.495 176.126 176.000 -0.614 0.000 0.915 4 Q CA 0.727 56.297 55.803 -0.389 0.000 0.943 4 Q CB 0.118 28.728 28.738 -0.214 0.000 1.064 4 Q HN 0.776 nan 8.270 nan 0.000 0.511 5 N N 0.255 118.202 118.700 -1.256 0.000 2.735 5 N HA -0.176 4.564 4.740 0.000 0.000 0.248 5 N C 0.279 175.532 175.510 -0.428 0.000 1.083 5 N CA 0.295 52.759 53.050 -0.977 0.000 0.703 5 N CB -0.887 37.240 38.487 -0.600 0.000 1.005 5 N HN 0.180 nan 8.380 nan 0.000 0.550 6 I N -1.425 118.930 120.570 -0.358 0.000 2.585 6 I HA 0.102 4.272 4.170 0.000 0.000 0.254 6 I C 0.634 176.535 176.117 -0.360 0.000 1.129 6 I CA 1.034 62.109 61.300 -0.373 0.000 1.455 6 I CB -0.585 37.152 38.000 -0.439 0.000 1.111 6 I HN 0.049 nan 8.210 nan 0.000 0.433 7 F N 0.329 120.332 119.950 0.089 0.000 2.546 7 F HA 0.398 4.926 4.527 0.000 0.000 0.320 7 F C 0.822 176.792 175.800 0.285 0.000 1.076 7 F CA -1.093 57.032 58.000 0.208 0.000 0.928 7 F CB 1.290 40.369 39.000 0.132 0.000 1.189 7 F HN -0.324 nan 8.300 nan 0.000 0.465 8 S N 1.621 117.669 115.700 0.581 0.000 2.562 8 S HA 0.069 4.539 4.470 0.000 0.000 0.281 8 S C 0.969 175.871 174.600 0.502 0.000 1.333 8 S CA -0.414 58.083 58.200 0.495 0.000 1.052 8 S CB 1.034 64.477 63.200 0.404 0.000 0.884 8 S HN 0.698 nan 8.310 nan 0.000 0.506 9 Q N 0.669 120.655 119.800 0.310 0.000 2.137 9 Q HA 0.130 4.470 4.340 0.000 0.000 0.198 9 Q C 0.252 176.408 176.000 0.261 0.000 0.960 9 Q CA 0.669 56.575 55.803 0.171 0.000 0.847 9 Q CB 0.303 28.974 28.738 -0.111 0.000 0.915 9 Q HN 0.458 nan 8.270 nan 0.000 0.448 10 V N 0.684 120.728 119.914 0.216 0.000 2.686 10 V HA 0.239 4.359 4.120 0.000 0.000 0.306 10 V C -1.681 174.457 176.094 0.074 0.000 1.065 10 V CA -0.696 61.697 62.300 0.155 0.000 0.894 10 V CB 2.039 33.896 31.823 0.057 0.000 1.004 10 V HN 0.101 nan 8.190 nan 0.000 0.424 11 Q N 3.655 123.423 119.800 -0.052 0.000 2.243 11 Q HA 0.656 4.996 4.340 0.000 0.000 0.252 11 Q C -1.076 174.858 176.000 -0.111 0.000 0.909 11 Q CA -0.442 55.273 55.803 -0.147 0.000 0.922 11 Q CB 2.440 30.950 28.738 -0.380 0.000 1.215 11 Q HN 0.610 nan 8.270 nan 0.000 0.427 12 V N 2.718 122.582 119.914 -0.083 0.000 2.769 12 V HA 0.608 4.729 4.120 0.000 0.000 0.312 12 V C -0.938 175.100 176.094 -0.093 0.000 1.061 12 V CA -0.597 61.657 62.300 -0.076 0.000 0.931 12 V CB 2.139 33.936 31.823 -0.043 0.000 1.010 12 V HN 0.718 nan 8.190 nan 0.000 0.433 13 R N 2.664 123.092 120.500 -0.119 0.000 2.564 13 R HA 0.694 5.034 4.340 0.000 0.000 0.284 13 R C -0.337 175.871 176.300 -0.153 0.000 1.031 13 R CA -0.086 55.917 56.100 -0.162 0.000 0.904 13 R CB 1.925 32.048 30.300 -0.295 0.000 1.199 13 R HN 0.887 nan 8.270 nan 0.000 0.443 14 G N 2.550 111.284 108.800 -0.109 0.000 2.887 14 G HA2 0.581 4.541 3.960 0.000 0.000 0.277 14 G HA3 0.581 4.541 3.960 0.000 0.000 0.277 14 G C -2.290 172.570 174.900 -0.067 0.000 1.346 14 G CA -1.226 43.829 45.100 -0.075 0.000 1.058 14 G HN 0.556 nan 8.290 nan 0.000 0.535 15 P HA 0.335 nan 4.420 nan 0.000 0.270 15 P C 0.160 177.536 177.300 0.126 0.000 1.223 15 P CA -0.015 63.100 63.100 0.025 0.000 0.785 15 P CB 0.541 32.253 31.700 0.019 0.000 0.923 16 A N 1.560 124.517 122.820 0.228 0.000 2.587 16 A HA -0.011 4.309 4.320 0.000 0.000 0.233 16 A C 0.460 178.116 177.584 0.121 0.000 1.049 16 A CA 0.349 52.548 52.037 0.270 0.000 0.754 16 A CB -0.505 18.601 19.000 0.177 0.000 0.977 16 A HN 0.590 nan 8.150 nan 0.000 0.509 17 D N 2.095 122.547 120.400 0.087 0.000 2.329 17 D HA 0.385 5.025 4.640 0.000 0.000 0.232 17 D C 0.708 177.014 176.300 0.010 0.000 1.088 17 D CA -0.304 53.720 54.000 0.041 0.000 0.835 17 D CB 0.779 41.601 40.800 0.037 0.000 1.078 17 D HN 0.395 nan 8.370 nan 0.000 0.495 18 L N 2.978 124.205 121.223 0.007 0.000 2.509 18 L HA 0.266 4.606 4.340 0.000 0.000 0.222 18 L C 1.555 178.420 176.870 -0.007 0.000 1.123 18 L CA 0.298 55.137 54.840 -0.003 0.000 0.856 18 L CB -0.740 41.319 42.059 0.000 0.000 0.985 18 L HN 0.658 nan 8.230 nan 0.000 0.456 19 G N 0.352 109.147 108.800 -0.008 0.000 2.681 19 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 19 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 19 G C -0.293 174.596 174.900 -0.019 0.000 1.353 19 G CA -0.719 44.371 45.100 -0.016 0.000 0.872 19 G HN -0.103 nan 8.290 nan 0.000 0.557 20 M N 0.155 119.737 119.600 -0.028 0.000 2.255 20 M HA 0.420 4.900 4.480 0.000 0.000 0.336 20 M C 1.581 177.862 176.300 -0.030 0.000 1.135 20 M CA 0.308 55.589 55.300 -0.032 0.000 1.145 20 M CB 0.461 33.034 32.600 -0.044 0.000 1.473 20 M HN 0.677 nan 8.290 nan 0.000 0.462 21 T N -0.357 114.180 114.554 -0.028 0.000 3.053 21 T HA 0.058 4.408 4.350 0.000 0.000 0.236 21 T C 0.786 175.465 174.700 -0.035 0.000 0.996 21 T CA 0.327 62.414 62.100 -0.022 0.000 1.185 21 T CB 0.172 69.032 68.868 -0.015 0.000 0.892 21 T HN 0.697 nan 8.240 nan 0.000 0.432 22 E N 0.923 121.100 120.200 -0.038 0.000 3.374 22 E HA -0.204 4.146 4.350 0.000 0.000 0.375 22 E C -0.298 176.277 176.600 -0.043 0.000 1.535 22 E CA 1.824 58.196 56.400 -0.047 0.000 1.664 22 E CB -0.996 28.664 29.700 -0.067 0.000 1.707 22 E HN 0.338 nan 8.360 nan 0.000 0.469 23 D N -0.055 120.311 120.400 -0.056 0.000 2.463 23 D HA 0.200 4.840 4.640 0.000 0.000 0.224 23 D C -0.608 175.663 176.300 -0.048 0.000 1.174 23 D CA 0.036 54.007 54.000 -0.048 0.000 0.829 23 D CB 0.129 40.897 40.800 -0.054 0.000 0.993 23 D HN 0.027 nan 8.370 nan 0.000 0.497 24 V N 1.767 121.654 119.914 -0.045 0.000 2.614 24 V HA 0.035 4.155 4.120 0.000 0.000 0.291 24 V C 0.838 176.970 176.094 0.063 0.000 1.049 24 V CA -0.679 61.609 62.300 -0.020 0.000 1.038 24 V CB 1.207 33.015 31.823 -0.025 0.000 0.980 24 V HN 0.092 nan 8.190 nan 0.000 0.481 25 N N 4.309 123.101 118.700 0.152 0.000 2.448 25 N HA 0.072 4.812 4.740 0.000 0.000 0.250 25 N C 0.630 176.218 175.510 0.130 0.000 1.136 25 N CA -0.305 52.823 53.050 0.130 0.000 0.953 25 N CB 0.760 39.330 38.487 0.138 0.000 1.251 25 N HN 0.490 nan 8.380 nan 0.000 0.502 26 L N 3.174 124.434 121.223 0.062 0.000 2.263 26 L HA -0.117 4.223 4.340 0.000 0.000 0.216 26 L C 2.220 179.073 176.870 -0.028 0.000 1.111 26 L CA 1.278 56.134 54.840 0.028 0.000 0.773 26 L CB -1.216 40.850 42.059 0.011 0.000 0.906 26 L HN 0.655 nan 8.230 nan 0.000 0.439 27 A N -0.630 122.164 122.820 -0.042 0.000 1.972 27 A HA -0.159 4.161 4.320 0.000 0.000 0.219 27 A C 1.960 179.453 177.584 -0.151 0.000 1.169 27 A CA 1.463 53.454 52.037 -0.075 0.000 0.635 27 A CB -0.441 18.525 19.000 -0.057 0.000 0.810 27 A HN 0.485 nan 8.150 nan 0.000 0.446 28 N N -0.665 117.878 118.700 -0.261 0.000 2.461 28 N HA 0.012 4.752 4.740 0.000 0.000 0.188 28 N C 0.453 175.612 175.510 -0.586 0.000 1.134 28 N CA 0.251 52.985 53.050 -0.528 0.000 0.878 28 N CB -0.044 37.875 38.487 -0.947 0.000 0.972 28 N HN 0.417 nan 8.380 nan 0.000 0.456 29 R N 1.246 121.566 120.500 -0.301 0.000 2.221 29 R HA 0.149 4.489 4.340 0.000 0.000 0.327 29 R C 0.735 176.972 176.300 -0.105 0.000 1.033 29 R CA -0.244 55.767 56.100 -0.149 0.000 0.887 29 R CB 0.660 30.954 30.300 -0.010 0.000 1.057 29 R HN 0.064 nan 8.270 nan 0.000 0.455 30 S N 2.367 118.013 115.700 -0.090 0.000 2.618 30 S HA 0.362 4.832 4.470 0.000 0.000 0.254 30 S C 0.610 175.181 174.600 -0.048 0.000 1.284 30 S CA -0.314 57.846 58.200 -0.066 0.000 0.975 30 S CB 0.583 63.750 63.200 -0.055 0.000 1.022 30 S HN 0.631 nan 8.310 nan 0.000 0.571 31 G N -1.108 107.667 108.800 -0.042 0.000 2.488 31 G HA2 0.514 4.474 3.960 0.000 0.000 0.318 31 G HA3 0.514 4.474 3.960 0.000 0.000 0.318 31 G C -0.442 174.428 174.900 -0.049 0.000 1.188 31 G CA -0.713 44.366 45.100 -0.037 0.000 0.944 31 G HN 0.902 nan 8.290 nan 0.000 0.495 32 V N 0.463 120.345 119.914 -0.054 0.000 2.872 32 V HA 0.473 4.594 4.120 0.000 0.000 0.307 32 V C 1.269 177.293 176.094 -0.118 0.000 1.072 32 V CA 0.914 63.154 62.300 -0.100 0.000 1.148 32 V CB 0.801 32.560 31.823 -0.106 0.000 0.954 32 V HN 0.972 nan 8.190 nan 0.000 0.490 33 G N 6.160 114.856 108.800 -0.174 0.000 2.574 33 G HA2 0.599 4.559 3.960 0.000 0.000 0.248 33 G HA3 0.599 4.559 3.960 0.000 0.000 0.248 33 G C -2.701 172.079 174.900 -0.200 0.000 1.422 33 G CA -0.823 44.187 45.100 -0.150 0.000 1.051 33 G HN 0.691 nan 8.290 nan 0.000 0.560 34 P HA 0.453 nan 4.420 nan 0.000 0.282 34 P C -1.180 176.025 177.300 -0.159 0.000 1.259 34 P CA -0.612 62.444 63.100 -0.074 0.000 0.826 34 P CB 0.850 32.547 31.700 -0.005 0.000 1.064 35 F N -0.297 119.639 119.950 -0.022 0.000 2.399 35 F HA 0.410 4.937 4.527 0.000 0.000 0.334 35 F C 1.190 176.969 175.800 -0.035 0.000 1.097 35 F CA -0.035 57.946 58.000 -0.031 0.000 1.076 35 F CB 1.285 40.259 39.000 -0.043 0.000 1.162 35 F HN 0.095 nan 8.300 nan 0.000 0.495 36 S N 1.651 117.430 115.700 0.131 0.000 2.520 36 S HA 0.218 4.688 4.470 0.000 0.000 0.324 36 S C 0.770 175.379 174.600 0.015 0.000 1.069 36 S CA -0.550 57.687 58.200 0.062 0.000 1.121 36 S CB 0.841 64.066 63.200 0.042 0.000 0.971 36 S HN 0.737 nan 8.310 nan 0.000 0.463 37 T N 5.395 119.925 114.554 -0.040 0.000 2.833 37 T HA -0.104 4.246 4.350 0.000 0.000 0.269 37 T C 1.733 176.291 174.700 -0.236 0.000 1.054 37 T CA 1.348 63.329 62.100 -0.199 0.000 1.135 37 T CB -0.297 68.457 68.868 -0.191 0.000 0.869 37 T HN 0.547 nan 8.240 nan 0.000 0.466 38 L N 1.063 122.274 121.223 -0.020 0.000 1.970 38 L HA -0.022 4.318 4.340 0.000 0.000 0.212 38 L C 2.221 179.183 176.870 0.154 0.000 1.071 38 L CA 1.698 56.615 54.840 0.128 0.000 0.751 38 L CB -0.772 41.355 42.059 0.113 0.000 0.889 38 L HN 0.249 nan 8.230 nan 0.000 0.432 39 L N -0.774 120.513 121.223 0.107 0.000 2.042 39 L HA -0.189 4.151 4.340 0.000 0.000 0.210 39 L C 2.492 179.466 176.870 0.173 0.000 1.076 39 L CA 1.349 56.281 54.840 0.153 0.000 0.749 39 L CB -1.432 40.690 42.059 0.104 0.000 0.893 39 L HN 0.521 nan 8.230 nan 0.000 0.432 40 G N -0.840 107.981 108.800 0.036 0.000 2.499 40 G HA2 -0.285 3.675 3.960 0.000 0.000 0.221 40 G HA3 -0.285 3.675 3.960 0.000 0.000 0.221 40 G C 1.205 176.128 174.900 0.038 0.000 1.109 40 G CA 0.491 45.569 45.100 -0.037 0.000 0.749 40 G HN 0.461 nan 8.290 nan 0.000 0.568 41 W N -1.367 120.036 121.300 0.172 0.000 2.436 41 W HA 0.189 4.849 4.660 0.000 0.000 0.284 41 W C 2.043 178.828 176.519 0.443 0.000 1.225 41 W CA -0.283 57.195 57.345 0.222 0.000 1.271 41 W CB -0.096 29.415 29.460 0.085 0.000 1.114 41 W HN 0.158 nan 8.180 nan 0.000 0.559 42 F N -0.767 119.458 119.950 0.459 0.000 2.453 42 F HA 0.359 4.886 4.527 0.000 0.000 0.284 42 F C 1.506 177.416 175.800 0.182 0.000 1.065 42 F CA 1.394 59.602 58.000 0.345 0.000 1.411 42 F CB -0.419 38.764 39.000 0.305 0.000 1.131 42 F HN -0.238 nan 8.300 nan 0.000 0.582 43 G N -0.937 108.001 108.800 0.231 0.000 3.107 43 G HA2 0.158 4.118 3.960 0.000 0.000 0.233 43 G HA3 0.158 4.118 3.960 0.000 0.000 0.233 43 G C -1.121 173.829 174.900 0.084 0.000 1.168 43 G CA -0.758 44.389 45.100 0.078 0.000 0.801 43 G HN -0.106 nan 8.290 nan 0.000 0.605 44 N N 0.813 119.549 118.700 0.060 0.000 2.492 44 N HA 0.288 5.028 4.740 0.000 0.000 0.262 44 N C 1.051 176.602 175.510 0.069 0.000 1.202 44 N CA 0.566 53.649 53.050 0.056 0.000 0.926 44 N CB 1.718 40.227 38.487 0.037 0.000 1.078 44 N HN 0.522 nan 8.380 nan 0.000 0.454 45 A N 2.660 125.535 122.820 0.091 0.000 2.132 45 A HA -0.059 4.262 4.320 0.000 0.000 0.213 45 A C 0.979 178.635 177.584 0.119 0.000 1.154 45 A CA 0.399 52.509 52.037 0.121 0.000 0.753 45 A CB -0.011 19.076 19.000 0.145 0.000 0.826 45 A HN 0.767 nan 8.150 nan 0.000 0.469 46 Q N 0.405 120.236 119.800 0.053 0.000 2.296 46 Q HA 0.484 4.825 4.340 0.000 0.000 0.262 46 Q C -1.313 174.546 176.000 -0.235 0.000 0.981 46 Q CA -0.108 55.536 55.803 -0.265 0.000 0.905 46 Q CB 0.439 29.057 28.738 -0.200 0.000 1.186 46 Q HN 0.492 nan 8.270 nan 0.000 0.399 47 L N 4.215 125.238 121.223 -0.334 0.000 2.307 47 L HA 0.649 4.989 4.340 0.000 0.000 0.284 47 L C 0.487 177.234 176.870 -0.205 0.000 1.023 47 L CA -0.089 54.633 54.840 -0.196 0.000 0.810 47 L CB 1.578 43.548 42.059 -0.149 0.000 1.231 47 L HN 1.011 nan 8.230 nan 0.000 0.423 48 G N 3.820 112.544 108.800 -0.127 0.000 2.828 48 G HA2 -0.155 3.806 3.960 0.000 0.000 0.463 48 G HA3 -0.155 3.806 3.960 0.000 0.000 0.463 48 G C -2.927 171.908 174.900 -0.107 0.000 1.394 48 G CA -0.912 44.127 45.100 -0.102 0.000 0.862 48 G HN 0.461 nan 8.290 nan 0.000 0.540 49 P HA 0.636 nan 4.420 nan 0.000 0.277 49 P C -0.238 177.047 177.300 -0.025 0.000 1.271 49 P CA -0.498 62.572 63.100 -0.050 0.000 0.795 49 P CB 1.377 33.054 31.700 -0.038 0.000 1.101 50 I N -0.170 120.393 120.570 -0.012 0.000 2.740 50 I HA 0.379 4.549 4.170 0.000 0.000 0.303 50 I C -1.241 174.899 176.117 0.038 0.000 1.044 50 I CA -1.407 59.904 61.300 0.019 0.000 1.064 50 I CB 1.993 40.005 38.000 0.019 0.000 1.249 50 I HN 0.221 nan 8.210 nan 0.000 0.433 51 Y N 6.992 127.251 120.300 -0.068 0.000 2.328 51 Y HA 0.590 5.140 4.550 0.000 0.000 0.337 51 Y C -1.284 174.570 175.900 -0.077 0.000 1.008 51 Y CA -0.489 57.565 58.100 -0.078 0.000 1.129 51 Y CB 1.004 39.401 38.460 -0.105 0.000 1.185 51 Y HN 0.384 nan 8.280 nan 0.000 0.476 52 L N 7.445 128.465 121.223 -0.338 0.000 2.462 52 L HA 0.445 4.785 4.340 0.000 0.000 0.255 52 L C 0.521 177.242 176.870 -0.248 0.000 1.076 52 L CA -0.483 54.258 54.840 -0.165 0.000 0.920 52 L CB 0.810 42.818 42.059 -0.085 0.000 1.214 52 L HN 0.891 nan 8.230 nan 0.000 0.472 53 G N 0.071 108.791 108.800 -0.133 0.000 2.509 53 G HA2 0.212 4.172 3.960 0.000 0.000 0.269 53 G HA3 0.212 4.172 3.960 0.000 0.000 0.269 53 G C 0.839 175.736 174.900 -0.005 0.000 1.416 53 G CA -0.056 45.007 45.100 -0.061 0.000 1.052 53 G HN 0.416 nan 8.290 nan 0.000 0.542 54 S N -0.733 114.977 115.700 0.015 0.000 2.356 54 S HA -0.139 4.331 4.470 0.000 0.000 0.223 54 S C 2.339 176.964 174.600 0.042 0.000 1.032 54 S CA 0.997 59.208 58.200 0.019 0.000 1.005 54 S CB -0.403 62.808 63.200 0.019 0.000 0.867 54 S HN 0.322 nan 8.310 nan 0.000 0.449 55 L N 2.077 123.329 121.223 0.048 0.000 2.042 55 L HA -0.034 4.307 4.340 0.000 0.000 0.210 55 L C 2.312 179.219 176.870 0.061 0.000 1.076 55 L CA 1.926 56.797 54.840 0.051 0.000 0.749 55 L CB -1.313 40.759 42.059 0.021 0.000 0.893 55 L HN 0.346 nan 8.230 nan 0.000 0.432 56 G N -1.683 107.143 108.800 0.043 0.000 2.402 56 G HA2 -0.171 3.790 3.960 0.000 0.000 0.216 56 G HA3 -0.171 3.790 3.960 0.000 0.000 0.216 56 G C 1.550 176.522 174.900 0.119 0.000 1.162 56 G CA 0.928 46.064 45.100 0.060 0.000 0.777 56 G HN 0.314 nan 8.290 nan 0.000 0.539 57 V N 0.776 120.740 119.914 0.084 0.000 2.343 57 V HA -0.129 3.991 4.120 0.000 0.000 0.247 57 V C 2.667 178.851 176.094 0.151 0.000 1.051 57 V CA 1.610 63.966 62.300 0.094 0.000 1.036 57 V CB -0.464 31.382 31.823 0.038 0.000 0.654 57 V HN 0.365 nan 8.190 nan 0.000 0.451 58 L N 0.221 121.526 121.223 0.137 0.000 1.989 58 L HA -0.175 4.166 4.340 0.000 0.000 0.211 58 L C 2.632 179.653 176.870 0.252 0.000 1.071 58 L CA 2.580 57.535 54.840 0.192 0.000 0.749 58 L CB -0.967 41.181 42.059 0.148 0.000 0.890 58 L HN 0.313 nan 8.230 nan 0.000 0.431 59 S N -0.939 114.892 115.700 0.219 0.000 2.359 59 S HA -0.206 4.264 4.470 0.000 0.000 0.224 59 S C 2.087 176.803 174.600 0.193 0.000 1.035 59 S CA 1.744 60.089 58.200 0.241 0.000 1.018 59 S CB -0.538 62.889 63.200 0.379 0.000 0.876 59 S HN 0.515 nan 8.310 nan 0.000 0.448 60 L N -0.182 121.162 121.223 0.202 0.000 2.093 60 L HA -0.039 4.301 4.340 0.000 0.000 0.208 60 L C 2.222 179.144 176.870 0.087 0.000 1.085 60 L CA 1.775 56.683 54.840 0.113 0.000 0.755 60 L CB -0.479 41.654 42.059 0.125 0.000 0.904 60 L HN 0.484 nan 8.230 nan 0.000 0.435 61 F N 0.360 120.325 119.950 0.026 0.000 2.075 61 F HA -0.245 4.282 4.527 0.000 0.000 0.297 61 F C 2.565 178.356 175.800 -0.016 0.000 1.113 61 F CA 2.045 60.052 58.000 0.012 0.000 1.218 61 F CB -0.463 38.569 39.000 0.052 0.000 0.984 61 F HN -0.006 nan 8.300 nan 0.000 0.472 62 S N 0.490 116.207 115.700 0.029 0.000 2.370 62 S HA -0.144 4.326 4.470 0.000 0.000 0.226 62 S C 2.337 176.875 174.600 -0.102 0.000 1.033 62 S CA 1.227 59.420 58.200 -0.013 0.000 1.011 62 S CB -1.433 61.899 63.200 0.219 0.000 0.852 62 S HN 0.645 nan 8.310 nan 0.000 0.457 63 G N 1.681 110.437 108.800 -0.073 0.000 2.440 63 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 63 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 63 G C 1.340 176.171 174.900 -0.115 0.000 1.154 63 G CA 0.713 45.765 45.100 -0.079 0.000 0.767 63 G HN 0.437 nan 8.290 nan 0.000 0.552 64 L N -0.126 120.908 121.223 -0.315 0.000 2.072 64 L HA -0.013 4.327 4.340 0.000 0.000 0.205 64 L C 3.045 179.524 176.870 -0.652 0.000 1.079 64 L CA 0.526 54.999 54.840 -0.612 0.000 0.752 64 L CB -0.308 41.388 42.059 -0.605 0.000 0.906 64 L HN 0.133 nan 8.230 nan 0.000 0.436 65 M N -1.242 117.980 119.600 -0.630 0.000 2.213 65 M HA -0.239 4.241 4.480 0.000 0.000 0.263 65 M C 2.070 178.104 176.300 -0.444 0.000 1.062 65 M CA 1.644 56.490 55.300 -0.757 0.000 1.105 65 M CB -1.223 30.347 32.600 -1.716 0.000 1.385 65 M HN 0.451 nan 8.290 nan 0.000 0.417 66 W N 0.657 121.717 121.300 -0.399 0.000 2.354 66 W HA -0.253 4.407 4.660 0.000 0.000 0.315 66 W C 2.238 178.635 176.519 -0.203 0.000 1.206 66 W CA 1.404 58.625 57.345 -0.207 0.000 1.290 66 W CB -1.009 28.352 29.460 -0.166 0.000 1.152 66 W HN 0.150 nan 8.180 nan 0.000 0.489 67 F N 0.170 119.803 119.950 -0.529 0.000 2.069 67 F HA -0.189 4.338 4.527 0.000 0.000 0.298 67 F C 2.374 177.919 175.800 -0.424 0.000 1.113 67 F CA 2.328 59.887 58.000 -0.734 0.000 1.214 67 F CB -1.201 37.476 39.000 -0.539 0.000 0.978 67 F HN -0.104 nan 8.300 nan 0.000 0.474 68 F N -0.467 119.375 119.950 -0.180 0.000 2.161 68 F HA -0.276 4.251 4.527 0.000 0.000 0.300 68 F C 2.379 178.051 175.800 -0.213 0.000 1.089 68 F CA 1.173 59.061 58.000 -0.187 0.000 1.282 68 F CB -0.864 38.066 39.000 -0.116 0.000 1.010 68 F HN -0.067 nan 8.300 nan 0.000 0.485 69 T N 0.790 115.310 114.554 -0.056 0.000 2.746 69 T HA -0.163 4.187 4.350 0.000 0.000 0.267 69 T C 1.894 176.539 174.700 -0.092 0.000 1.039 69 T CA 1.254 63.330 62.100 -0.040 0.000 1.142 69 T CB -0.380 68.471 68.868 -0.029 0.000 0.866 69 T HN 0.191 nan 8.240 nan 0.000 0.444 70 I N 1.108 121.460 120.570 -0.363 0.000 2.226 70 I HA -0.094 4.076 4.170 0.000 0.000 0.245 70 I C 2.873 178.674 176.117 -0.526 0.000 1.100 70 I CA 1.255 62.266 61.300 -0.482 0.000 1.374 70 I CB -0.665 36.784 38.000 -0.917 0.000 1.057 70 I HN 0.310 nan 8.210 nan 0.000 0.413 71 G N 0.927 109.430 108.800 -0.496 0.000 2.402 71 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 71 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 71 G C 1.652 176.647 174.900 0.158 0.000 1.162 71 G CA 0.512 45.463 45.100 -0.249 0.000 0.777 71 G HN 0.262 nan 8.290 nan 0.000 0.539 72 I N -0.134 120.550 120.570 0.190 0.000 2.226 72 I HA -0.096 4.074 4.170 0.000 0.000 0.245 72 I C 2.333 178.622 176.117 0.285 0.000 1.100 72 I CA 0.961 62.442 61.300 0.302 0.000 1.374 72 I CB -0.276 37.872 38.000 0.247 0.000 1.057 72 I HN 0.473 nan 8.210 nan 0.000 0.413 73 W N 0.008 121.379 121.300 0.117 0.000 2.363 73 W HA -0.284 4.376 4.660 0.000 0.000 0.296 73 W C 1.990 178.609 176.519 0.166 0.000 1.212 73 W CA 1.057 58.502 57.345 0.168 0.000 1.260 73 W CB -0.392 29.190 29.460 0.204 0.000 1.131 73 W HN 0.122 nan 8.180 nan 0.000 0.530 74 F N -0.385 119.444 119.950 -0.203 0.000 2.134 74 F HA -0.114 4.413 4.527 0.000 0.000 0.299 74 F C 2.047 177.307 175.800 -0.901 0.000 1.097 74 F CA 1.171 58.775 58.000 -0.660 0.000 1.264 74 F CB -1.614 37.151 39.000 -0.390 0.000 1.001 74 F HN -0.118 nan 8.300 nan 0.000 0.479 75 W N -1.565 119.552 121.300 -0.304 0.000 2.388 75 W HA -0.234 4.426 4.660 0.000 0.000 0.294 75 W C 2.572 178.387 176.519 -1.174 0.000 1.212 75 W CA 1.483 58.498 57.345 -0.550 0.000 1.271 75 W CB -0.999 28.248 29.460 -0.355 0.000 1.126 75 W HN 0.044 nan 8.180 nan 0.000 0.535 76 Y N 1.219 120.812 120.300 -1.179 0.000 2.145 76 Y HA -0.286 4.264 4.550 0.000 0.000 0.286 76 Y C 2.312 177.622 175.900 -0.983 0.000 1.145 76 Y CA 2.089 59.386 58.100 -1.339 0.000 1.148 76 Y CB -0.857 37.120 38.460 -0.805 0.000 0.981 76 Y HN -0.008 nan 8.280 nan 0.000 0.507 77 Q N -0.566 118.575 119.800 -1.098 0.000 2.291 77 Q HA -0.126 4.214 4.340 0.000 0.000 0.206 77 Q C 2.027 177.651 176.000 -0.627 0.000 0.976 77 Q CA 0.996 56.254 55.803 -0.909 0.000 0.875 77 Q CB -0.220 28.065 28.738 -0.755 0.000 0.927 77 Q HN 0.604 nan 8.270 nan 0.000 0.450 78 A N -0.312 122.072 122.820 -0.726 0.000 2.238 78 A HA 0.309 4.629 4.320 0.000 0.000 0.210 78 A C 1.434 178.853 177.584 -0.276 0.000 1.179 78 A CA 0.663 52.490 52.037 -0.349 0.000 0.827 78 A CB -0.024 18.785 19.000 -0.318 0.000 0.856 78 A HN 0.403 nan 8.150 nan 0.000 0.488 79 G N -2.479 106.013 108.800 -0.512 0.000 2.160 79 G HA2 -0.309 3.651 3.960 0.000 0.000 0.251 79 G HA3 -0.309 3.651 3.960 0.000 0.000 0.251 79 G C 0.290 175.165 174.900 -0.041 0.000 1.008 79 G CA 0.240 45.141 45.100 -0.333 0.000 0.724 79 G HN 1.108 nan 8.290 nan 0.000 0.514 80 W N -2.063 119.297 121.300 0.100 0.000 2.869 80 W HA -0.201 4.460 4.660 0.000 0.000 0.285 80 W C 0.633 177.310 176.519 0.263 0.000 1.098 80 W CA 0.266 57.751 57.345 0.234 0.000 0.571 80 W CB -1.939 27.568 29.460 0.080 0.000 2.131 80 W HN 0.591 nan 8.180 nan 0.000 1.367 81 N N 1.220 120.115 118.700 0.325 0.000 2.420 81 N HA 0.169 4.909 4.740 0.000 0.000 0.249 81 N C -1.106 174.598 175.510 0.323 0.000 1.033 81 N CA -1.600 51.609 53.050 0.265 0.000 0.944 81 N CB 1.368 39.939 38.487 0.141 0.000 1.113 81 N HN -0.218 nan 8.380 nan 0.000 0.502 82 P HA -0.176 nan 4.420 nan 0.000 0.216 82 P C 0.821 178.274 177.300 0.255 0.000 1.157 82 P CA 1.753 65.101 63.100 0.413 0.000 0.880 82 P CB 0.261 32.151 31.700 0.317 0.000 0.791 83 A N -1.104 121.819 122.820 0.171 0.000 1.969 83 A HA -0.128 4.192 4.320 0.000 0.000 0.218 83 A C 2.285 179.914 177.584 0.075 0.000 1.169 83 A CA 1.606 53.706 52.037 0.105 0.000 0.635 83 A CB -1.530 17.511 19.000 0.069 0.000 0.810 83 A HN 0.059 nan 8.150 nan 0.000 0.445 84 V N -1.386 118.582 119.914 0.090 0.000 2.453 84 V HA -0.169 3.951 4.120 0.000 0.000 0.247 84 V C 2.207 178.372 176.094 0.118 0.000 1.048 84 V CA 1.736 64.073 62.300 0.062 0.000 1.049 84 V CB -0.911 30.950 31.823 0.062 0.000 0.672 84 V HN 0.644 nan 8.190 nan 0.000 0.457 85 F N 0.509 120.417 119.950 -0.069 0.000 2.126 85 F HA -0.182 4.345 4.527 0.000 0.000 0.299 85 F C 1.971 177.748 175.800 -0.039 0.000 1.096 85 F CA 1.762 59.650 58.000 -0.187 0.000 1.255 85 F CB -0.117 38.365 39.000 -0.863 0.000 0.997 85 F HN 0.031 nan 8.300 nan 0.000 0.479 86 L N 0.155 121.371 121.223 -0.012 0.000 2.179 86 L HA -0.093 4.247 4.340 0.000 0.000 0.208 86 L C 2.568 179.330 176.870 -0.180 0.000 1.096 86 L CA 1.283 56.058 54.840 -0.108 0.000 0.779 86 L CB -0.547 41.536 42.059 0.039 0.000 0.922 86 L HN 0.181 nan 8.230 nan 0.000 0.443 87 R N -0.647 119.772 120.500 -0.134 0.000 2.119 87 R HA -0.059 4.281 4.340 0.000 0.000 0.222 87 R C 0.778 176.936 176.300 -0.238 0.000 1.088 87 R CA 1.356 57.358 56.100 -0.163 0.000 0.984 87 R CB -0.189 30.034 30.300 -0.128 0.000 0.884 87 R HN 0.124 nan 8.270 nan 0.000 0.447 88 D N 0.179 120.366 120.400 -0.355 0.000 2.395 88 D HA 0.032 4.672 4.640 0.000 0.000 0.213 88 D C 1.249 177.018 176.300 -0.885 0.000 1.110 88 D CA -0.152 53.480 54.000 -0.612 0.000 0.835 88 D CB 0.473 40.691 40.800 -0.970 0.000 0.965 88 D HN 0.097 nan 8.370 nan 0.000 0.505 89 L N 0.292 121.191 121.223 -0.541 0.000 2.064 89 L HA -0.228 4.112 4.340 0.000 0.000 0.216 89 L C 1.489 178.252 176.870 -0.179 0.000 1.077 89 L CA 1.755 56.367 54.840 -0.381 0.000 0.766 89 L CB -0.452 41.343 42.059 -0.440 0.000 0.890 89 L HN -0.021 nan 8.230 nan 0.000 0.435 90 F N -1.732 117.912 119.950 -0.509 0.000 2.661 90 F HA 0.024 4.551 4.527 0.000 0.000 0.298 90 F C 1.914 177.164 175.800 -0.917 0.000 1.137 90 F CA 0.194 57.672 58.000 -0.870 0.000 1.454 90 F CB -1.022 37.032 39.000 -1.576 0.000 1.103 90 F HN 0.074 nan 8.300 nan 0.000 0.577 91 F N -1.707 117.960 119.950 -0.472 0.000 2.619 91 F HA 0.103 4.630 4.527 0.000 0.000 0.293 91 F C 0.907 176.460 175.800 -0.412 0.000 1.119 91 F CA -0.433 57.371 58.000 -0.327 0.000 1.445 91 F CB -0.815 37.978 39.000 -0.345 0.000 1.119 91 F HN -0.338 nan 8.300 nan 0.000 0.573 92 F N 0.364 120.127 119.950 -0.312 0.000 2.490 92 F HA 0.350 4.877 4.527 0.000 0.000 0.336 92 F C 0.777 176.323 175.800 -0.424 0.000 1.178 92 F CA -0.470 57.133 58.000 -0.662 0.000 1.301 92 F CB 0.238 38.202 39.000 -1.726 0.000 1.175 92 F HN -0.311 nan 8.300 nan 0.000 0.593 93 S N 1.758 117.555 115.700 0.161 0.000 2.548 93 S HA 0.441 4.911 4.470 0.000 0.000 0.278 93 S C -1.709 173.296 174.600 0.675 0.000 1.150 93 S CA -0.835 57.634 58.200 0.449 0.000 0.907 93 S CB 0.782 64.175 63.200 0.323 0.000 1.108 93 S HN 0.657 nan 8.310 nan 0.000 0.459 94 L N 4.407 126.011 121.223 0.634 0.000 2.277 94 L HA 0.545 4.885 4.340 0.000 0.000 0.284 94 L C -0.347 176.722 176.870 0.332 0.000 1.028 94 L CA -0.415 54.632 54.840 0.346 0.000 0.835 94 L CB 0.705 42.999 42.059 0.392 0.000 1.215 94 L HN 0.713 nan 8.230 nan 0.000 0.425 95 E N 5.944 126.222 120.200 0.131 0.000 2.283 95 E HA 0.436 4.786 4.350 0.000 0.000 0.271 95 E C -2.360 174.063 176.600 -0.294 0.000 1.031 95 E CA -1.695 54.689 56.400 -0.027 0.000 0.868 95 E CB 1.197 30.909 29.700 0.019 0.000 1.094 95 E HN 0.401 nan 8.360 nan 0.000 0.401 96 P HA 0.287 nan 4.420 nan 0.000 0.279 96 P C -2.599 174.457 177.300 -0.406 0.000 1.276 96 P CA -1.728 60.668 63.100 -1.172 0.000 0.801 96 P CB -0.412 30.131 31.700 -1.929 0.000 1.127 97 P HA 0.052 nan 4.420 nan 0.000 0.267 97 P C -0.177 177.164 177.300 0.068 0.000 1.200 97 P CA 0.461 63.540 63.100 -0.035 0.000 0.772 97 P CB -0.017 31.705 31.700 0.036 0.000 0.855 98 A N 5.407 128.359 122.820 0.220 0.000 2.406 98 A HA 0.215 4.535 4.320 0.000 0.000 0.243 98 A C -1.257 176.417 177.584 0.150 0.000 1.082 98 A CA -0.743 51.398 52.037 0.172 0.000 0.786 98 A CB -1.047 18.065 19.000 0.186 0.000 1.029 98 A HN 0.439 nan 8.150 nan 0.000 0.495 99 P HA -0.180 nan 4.420 nan 0.000 0.216 99 P C 0.780 178.056 177.300 -0.039 0.000 1.150 99 P CA 1.674 64.770 63.100 -0.006 0.000 0.843 99 P CB 0.066 31.748 31.700 -0.031 0.000 0.787 100 E N -1.790 118.351 120.200 -0.099 0.000 2.233 100 E HA -0.211 4.139 4.350 0.000 0.000 0.199 100 E C 1.298 177.730 176.600 -0.281 0.000 1.004 100 E CA 1.253 57.513 56.400 -0.233 0.000 0.819 100 E CB -1.033 28.445 29.700 -0.371 0.000 0.738 100 E HN 0.496 nan 8.360 nan 0.000 0.478 101 Y N -0.356 119.932 120.300 -0.020 0.000 2.490 101 Y HA 0.208 4.758 4.550 0.000 0.000 0.281 101 Y C 1.796 177.662 175.900 -0.057 0.000 1.174 101 Y CA 0.321 58.414 58.100 -0.011 0.000 1.295 101 Y CB -0.162 38.319 38.460 0.034 0.000 1.062 101 Y HN 0.099 nan 8.280 nan 0.000 0.522 102 G N 1.005 109.810 108.800 0.008 0.000 2.634 102 G HA2 -0.357 3.603 3.960 0.000 0.000 0.309 102 G HA3 -0.357 3.603 3.960 0.000 0.000 0.309 102 G C 0.630 175.354 174.900 -0.293 0.000 1.265 102 G CA 0.683 45.703 45.100 -0.134 0.000 0.998 102 G HN 0.292 nan 8.290 nan 0.000 0.551 103 L N 1.924 122.894 121.223 -0.422 0.000 2.741 103 L HA 0.335 4.675 4.340 0.000 0.000 0.237 103 L C 1.715 178.372 176.870 -0.354 0.000 1.178 103 L CA 0.476 54.845 54.840 -0.786 0.000 0.973 103 L CB -0.146 41.457 42.059 -0.761 0.000 1.255 103 L HN 0.658 nan 8.230 nan 0.000 0.498 104 S N -0.929 114.690 115.700 -0.134 0.000 2.614 104 S HA 0.283 4.753 4.470 0.000 0.000 0.265 104 S C 0.014 174.544 174.600 -0.117 0.000 1.303 104 S CA -0.309 57.840 58.200 -0.083 0.000 1.000 104 S CB 0.664 63.910 63.200 0.075 0.000 0.935 104 S HN 0.144 nan 8.310 nan 0.000 0.551 105 F N 0.175 120.241 119.950 0.194 0.000 2.923 105 F HA 0.528 5.055 4.527 0.000 0.000 0.314 105 F C 1.436 177.253 175.800 0.029 0.000 1.196 105 F CA -0.440 57.614 58.000 0.091 0.000 1.320 105 F CB -0.192 38.831 39.000 0.040 0.000 0.953 105 F HN 0.775 nan 8.300 nan 0.000 0.505 106 A N -0.036 122.871 122.820 0.146 0.000 2.220 106 A HA 0.586 4.906 4.320 0.000 0.000 0.211 106 A C 1.472 179.019 177.584 -0.061 0.000 1.176 106 A CA 0.244 52.339 52.037 0.098 0.000 0.834 106 A CB -0.366 18.737 19.000 0.172 0.000 0.868 106 A HN 0.209 nan 8.150 nan 0.000 0.488 107 A N 1.408 124.022 122.820 -0.344 0.000 2.540 107 A HA 0.455 4.775 4.320 0.000 0.000 0.239 107 A C -2.296 175.116 177.584 -0.287 0.000 1.061 107 A CA -0.654 50.923 52.037 -0.766 0.000 0.758 107 A CB -0.520 17.955 19.000 -0.876 0.000 0.991 107 A HN 0.263 nan 8.150 nan 0.000 0.502 108 P HA 0.018 nan 4.420 nan 0.000 0.269 108 P C 1.187 178.457 177.300 -0.050 0.000 1.209 108 P CA -0.627 62.445 63.100 -0.047 0.000 0.776 108 P CB 0.376 32.090 31.700 0.024 0.000 0.876 109 L N 2.376 123.592 121.223 -0.012 0.000 2.010 109 L HA -0.235 4.105 4.340 0.000 0.000 0.219 109 L C 1.677 178.515 176.870 -0.053 0.000 1.077 109 L CA 2.258 57.090 54.840 -0.013 0.000 0.773 109 L CB -1.310 40.763 42.059 0.023 0.000 0.892 109 L HN 0.519 nan 8.230 nan 0.000 0.436 110 K N -0.306 120.100 120.400 0.010 0.000 2.525 110 K HA -0.033 4.287 4.320 0.000 0.000 0.192 110 K C 0.305 176.887 176.600 -0.029 0.000 1.029 110 K CA 0.372 56.685 56.287 0.042 0.000 1.029 110 K CB 0.080 32.758 32.500 0.296 0.000 0.814 110 K HN 0.418 nan 8.250 nan 0.000 0.503 111 E N -0.339 119.833 120.200 -0.046 0.000 3.575 111 E HA 0.169 4.519 4.350 0.000 0.000 0.201 111 E C 0.348 176.882 176.600 -0.110 0.000 0.999 111 E CA -0.261 56.121 56.400 -0.029 0.000 1.315 111 E CB 1.300 31.035 29.700 0.059 0.000 1.146 111 E HN 0.327 nan 8.360 nan 0.000 0.453 112 G N -0.136 108.590 108.800 -0.123 0.000 3.033 112 G HA2 -0.247 3.713 3.960 0.000 0.000 0.196 112 G HA3 -0.247 3.713 3.960 0.000 0.000 0.196 112 G C 1.206 176.117 174.900 0.018 0.000 1.078 112 G CA -0.163 44.895 45.100 -0.071 0.000 0.805 112 G HN 0.419 nan 8.290 nan 0.000 0.472 113 G N 0.846 109.620 108.800 -0.044 0.000 2.440 113 G HA2 0.016 3.976 3.960 0.000 0.000 0.218 113 G HA3 0.016 3.976 3.960 0.000 0.000 0.218 113 G C 1.742 176.662 174.900 0.034 0.000 1.154 113 G CA 1.678 46.779 45.100 0.003 0.000 0.767 113 G HN 0.596 nan 8.290 nan 0.000 0.552 114 L N -0.744 120.476 121.223 -0.004 0.000 2.093 114 L HA 0.096 4.436 4.340 0.000 0.000 0.208 114 L C 2.325 179.237 176.870 0.070 0.000 1.085 114 L CA 0.996 55.840 54.840 0.006 0.000 0.755 114 L CB -0.930 41.070 42.059 -0.099 0.000 0.904 114 L HN 0.535 nan 8.230 nan 0.000 0.435 115 W N -0.256 121.003 121.300 -0.069 0.000 2.355 115 W HA -0.216 4.445 4.660 0.000 0.000 0.309 115 W C 2.290 178.877 176.519 0.113 0.000 1.206 115 W CA 1.583 58.967 57.345 0.066 0.000 1.284 115 W CB -0.170 29.288 29.460 -0.002 0.000 1.145 115 W HN 0.065 nan 8.180 nan 0.000 0.502 116 L N 0.103 121.450 121.223 0.208 0.000 2.046 116 L HA -0.236 4.104 4.340 0.000 0.000 0.208 116 L C 2.424 179.244 176.870 -0.082 0.000 1.077 116 L CA 1.389 56.220 54.840 -0.015 0.000 0.747 116 L CB -0.753 41.347 42.059 0.069 0.000 0.896 116 L HN 0.035 nan 8.230 nan 0.000 0.432 117 I N -0.370 120.196 120.570 -0.007 0.000 2.179 117 I HA -0.284 3.886 4.170 0.000 0.000 0.242 117 I C 2.790 178.993 176.117 0.144 0.000 1.088 117 I CA 1.160 62.474 61.300 0.024 0.000 1.357 117 I CB -0.445 37.618 38.000 0.105 0.000 1.051 117 I HN 0.200 nan 8.210 nan 0.000 0.409 118 A N 0.112 123.009 122.820 0.128 0.000 1.908 118 A HA -0.210 4.110 4.320 0.000 0.000 0.218 118 A C 2.477 180.174 177.584 0.189 0.000 1.181 118 A CA 2.292 54.433 52.037 0.174 0.000 0.627 118 A CB -0.749 18.183 19.000 -0.115 0.000 0.818 118 A HN 0.397 nan 8.150 nan 0.000 0.445 119 S N -1.202 114.442 115.700 -0.094 0.000 2.383 119 S HA -0.110 4.360 4.470 0.000 0.000 0.227 119 S C 1.632 176.244 174.600 0.021 0.000 1.026 119 S CA 1.333 59.453 58.200 -0.133 0.000 0.981 119 S CB -0.490 62.343 63.200 -0.612 0.000 0.818 119 S HN 0.642 nan 8.310 nan 0.000 0.472 120 F N 1.695 121.556 119.950 -0.149 0.000 2.134 120 F HA -0.072 4.455 4.527 0.000 0.000 0.299 120 F C 1.582 177.346 175.800 -0.060 0.000 1.097 120 F CA 1.113 59.011 58.000 -0.170 0.000 1.264 120 F CB -0.428 38.344 39.000 -0.379 0.000 1.001 120 F HN 0.111 nan 8.300 nan 0.000 0.479 121 F N -0.139 119.814 119.950 0.006 0.000 2.186 121 F HA -0.151 4.376 4.527 0.000 0.000 0.299 121 F C 2.601 178.334 175.800 -0.113 0.000 1.090 121 F CA 1.580 59.536 58.000 -0.072 0.000 1.307 121 F CB -0.880 38.156 39.000 0.060 0.000 1.019 121 F HN 0.053 nan 8.300 nan 0.000 0.489 122 M N -1.303 118.321 119.600 0.040 0.000 2.175 122 M HA -0.195 4.285 4.480 0.000 0.000 0.264 122 M C 2.231 178.545 176.300 0.023 0.000 1.063 122 M CA 1.580 56.723 55.300 -0.262 0.000 1.119 122 M CB -0.384 31.862 32.600 -0.590 0.000 1.377 122 M HN 0.161 nan 8.290 nan 0.000 0.415 123 F N 0.418 120.393 119.950 0.041 0.000 2.069 123 F HA -0.240 4.287 4.527 0.000 0.000 0.298 123 F C 1.906 177.803 175.800 0.161 0.000 1.113 123 F CA 2.072 60.200 58.000 0.214 0.000 1.214 123 F CB -0.541 38.449 39.000 -0.017 0.000 0.978 123 F HN -0.083 nan 8.300 nan 0.000 0.474 124 V N 0.382 120.343 119.914 0.079 0.000 2.343 124 V HA -0.314 3.806 4.120 0.000 0.000 0.247 124 V C 2.686 178.813 176.094 0.055 0.000 1.051 124 V CA 1.722 64.040 62.300 0.031 0.000 1.036 124 V CB -1.569 30.176 31.823 -0.129 0.000 0.654 124 V HN 0.507 nan 8.190 nan 0.000 0.451 125 A N -0.068 122.753 122.820 0.002 0.000 1.865 125 A HA -0.202 4.119 4.320 0.000 0.000 0.217 125 A C 2.411 179.964 177.584 -0.052 0.000 1.191 125 A CA 2.435 54.459 52.037 -0.020 0.000 0.623 125 A CB -0.871 18.050 19.000 -0.132 0.000 0.826 125 A HN 0.325 nan 8.150 nan 0.000 0.444 126 V N -2.272 117.475 119.914 -0.279 0.000 2.295 126 V HA -0.300 3.820 4.120 0.000 0.000 0.246 126 V C 2.298 178.234 176.094 -0.263 0.000 1.049 126 V CA 1.967 63.986 62.300 -0.469 0.000 1.024 126 V CB -1.080 29.954 31.823 -1.314 0.000 0.648 126 V HN 0.785 nan 8.190 nan 0.000 0.447 127 W N 0.813 121.999 121.300 -0.189 0.000 2.358 127 W HA -0.191 4.469 4.660 0.000 0.000 0.303 127 W C 2.949 179.540 176.519 0.120 0.000 1.208 127 W CA 1.577 58.872 57.345 -0.083 0.000 1.274 127 W CB -0.486 28.816 29.460 -0.263 0.000 1.138 127 W HN 0.355 nan 8.180 nan 0.000 0.515 128 S N -1.131 114.756 115.700 0.312 0.000 2.423 128 S HA -0.231 4.239 4.470 0.000 0.000 0.231 128 S C 1.616 176.354 174.600 0.231 0.000 1.014 128 S CA 0.850 59.199 58.200 0.248 0.000 0.965 128 S CB -1.149 62.166 63.200 0.191 0.000 0.785 128 S HN 0.485 nan 8.310 nan 0.000 0.495 129 W N 0.812 122.175 121.300 0.106 0.000 2.467 129 W HA -0.012 4.648 4.660 0.000 0.000 0.275 129 W C 1.765 178.411 176.519 0.213 0.000 1.239 129 W CA 0.655 58.056 57.345 0.094 0.000 1.266 129 W CB -0.369 29.114 29.460 0.037 0.000 1.112 129 W HN 0.506 nan 8.180 nan 0.000 0.576 130 W N 1.477 122.957 121.300 0.299 0.000 2.379 130 W HA -0.031 4.629 4.660 0.000 0.000 0.307 130 W C 2.475 179.071 176.519 0.128 0.000 1.200 130 W CA 3.194 60.696 57.345 0.261 0.000 1.297 130 W CB -0.896 28.544 29.460 -0.033 0.000 1.140 130 W HN -0.130 nan 8.180 nan 0.000 0.507 131 G N 0.452 109.330 108.800 0.131 0.000 2.442 131 G HA2 -0.337 3.623 3.960 0.000 0.000 0.219 131 G HA3 -0.337 3.623 3.960 0.000 0.000 0.219 131 G C 1.619 176.362 174.900 -0.263 0.000 1.141 131 G CA 1.103 46.136 45.100 -0.113 0.000 0.763 131 G HN 0.333 nan 8.290 nan 0.000 0.554 132 R N 0.354 120.686 120.500 -0.280 0.000 2.096 132 R HA -0.100 4.240 4.340 0.000 0.000 0.235 132 R C 2.885 178.882 176.300 -0.505 0.000 1.127 132 R CA 2.014 57.858 56.100 -0.426 0.000 0.968 132 R CB -0.523 29.386 30.300 -0.652 0.000 0.861 132 R HN 0.478 nan 8.270 nan 0.000 0.440 133 T N -2.214 112.025 114.554 -0.525 0.000 2.867 133 T HA -0.190 4.160 4.350 0.000 0.000 0.268 133 T C 1.758 176.165 174.700 -0.487 0.000 1.057 133 T CA 1.078 62.896 62.100 -0.470 0.000 1.136 133 T CB -0.459 68.208 68.868 -0.336 0.000 0.874 133 T HN 0.421 nan 8.240 nan 0.000 0.466 134 Y N 1.616 121.496 120.300 -0.700 0.000 2.206 134 Y HA 0.244 4.794 4.550 0.000 0.000 0.292 134 Y C 2.133 177.753 175.900 -0.467 0.000 1.123 134 Y CA 0.943 58.637 58.100 -0.677 0.000 1.142 134 Y CB -0.221 37.724 38.460 -0.860 0.000 1.006 134 Y HN 0.108 nan 8.280 nan 0.000 0.518 135 L N -0.342 120.750 121.223 -0.218 0.000 2.093 135 L HA -0.184 4.156 4.340 0.000 0.000 0.208 135 L C 2.351 179.014 176.870 -0.344 0.000 1.085 135 L CA 0.808 55.518 54.840 -0.216 0.000 0.755 135 L CB -0.440 41.526 42.059 -0.155 0.000 0.904 135 L HN 0.073 nan 8.230 nan 0.000 0.435 136 R N 0.339 120.596 120.500 -0.406 0.000 2.115 136 R HA -0.034 4.306 4.340 0.000 0.000 0.230 136 R C 2.240 178.318 176.300 -0.372 0.000 1.111 136 R CA 1.247 57.087 56.100 -0.435 0.000 0.976 136 R CB -1.138 28.905 30.300 -0.428 0.000 0.870 136 R HN 0.340 nan 8.270 nan 0.000 0.445 137 A N 0.357 122.939 122.820 -0.397 0.000 1.930 137 A HA -0.129 4.191 4.320 0.000 0.000 0.215 137 A C 2.124 179.491 177.584 -0.361 0.000 1.176 137 A CA 1.121 52.933 52.037 -0.374 0.000 0.632 137 A CB -0.361 18.374 19.000 -0.443 0.000 0.819 137 A HN 0.373 nan 8.150 nan 0.000 0.445 138 Q N -0.333 119.216 119.800 -0.418 0.000 2.119 138 Q HA -0.102 4.239 4.340 0.000 0.000 0.201 138 Q C 2.029 177.895 176.000 -0.223 0.000 0.972 138 Q CA 1.424 57.031 55.803 -0.328 0.000 0.847 138 Q CB -0.306 28.253 28.738 -0.299 0.000 0.903 138 Q HN 0.581 nan 8.270 nan 0.000 0.433 139 A N 0.199 122.878 122.820 -0.235 0.000 2.067 139 A HA -0.034 4.286 4.320 0.000 0.000 0.219 139 A C 1.675 179.159 177.584 -0.167 0.000 1.158 139 A CA 0.723 52.644 52.037 -0.193 0.000 0.661 139 A CB -0.142 18.710 19.000 -0.247 0.000 0.801 139 A HN 0.437 nan 8.150 nan 0.000 0.452 140 L N -1.706 119.406 121.223 -0.186 0.000 2.640 140 L HA 0.262 4.602 4.340 0.000 0.000 0.230 140 L C 1.606 178.397 176.870 -0.133 0.000 1.123 140 L CA 0.477 55.226 54.840 -0.151 0.000 0.900 140 L CB 0.157 42.119 42.059 -0.162 0.000 1.146 140 L HN 0.507 nan 8.230 nan 0.000 0.484 141 G N 0.362 109.076 108.800 -0.143 0.000 2.168 141 G HA2 -0.317 3.643 3.960 0.000 0.000 0.263 141 G HA3 -0.317 3.643 3.960 0.000 0.000 0.263 141 G C 0.361 175.187 174.900 -0.123 0.000 0.977 141 G CA 0.325 45.353 45.100 -0.120 0.000 0.659 141 G HN 0.265 nan 8.290 nan 0.000 0.533 142 M N 0.392 119.898 119.600 -0.155 0.000 2.163 142 M HA 0.501 4.981 4.480 0.000 0.000 0.305 142 M C 1.464 177.675 176.300 -0.148 0.000 1.166 142 M CA 0.239 55.453 55.300 -0.144 0.000 1.132 142 M CB 0.330 32.831 32.600 -0.165 0.000 1.413 142 M HN 0.211 nan 8.290 nan 0.000 0.478 143 G N 0.374 109.134 108.800 -0.067 0.000 2.606 143 G HA2 0.175 4.135 3.960 0.000 0.000 0.252 143 G HA3 0.175 4.135 3.960 0.000 0.000 0.252 143 G C 0.209 175.045 174.900 -0.106 0.000 1.206 143 G CA -0.602 44.516 45.100 0.031 0.000 0.861 143 G HN 0.618 nan 8.290 nan 0.000 0.561 144 K N 0.054 120.280 120.400 -0.290 0.000 2.500 144 K HA 0.093 4.413 4.320 0.000 0.000 0.206 144 K C 1.380 177.577 176.600 -0.672 0.000 1.034 144 K CA -0.130 55.758 56.287 -0.666 0.000 1.179 144 K CB -0.106 31.782 32.500 -1.020 0.000 0.884 144 K HN 0.601 nan 8.250 nan 0.000 0.493 145 H N 0.472 119.355 119.070 -0.313 0.000 2.390 145 H HA -0.110 4.446 4.556 0.000 0.000 0.298 145 H C 1.671 176.922 175.328 -0.128 0.000 1.106 145 H CA 2.129 58.100 56.048 -0.129 0.000 1.297 145 H CB -0.404 29.316 29.762 -0.069 0.000 1.375 145 H HN 0.114 nan 8.280 nan 0.000 0.509 146 T N 0.099 114.611 114.554 -0.069 0.000 2.777 146 T HA -0.122 4.228 4.350 0.000 0.000 0.266 146 T C 2.391 177.079 174.700 -0.020 0.000 1.040 146 T CA 1.198 63.259 62.100 -0.064 0.000 1.141 146 T CB -0.506 68.280 68.868 -0.136 0.000 0.868 146 T HN 0.530 nan 8.240 nan 0.000 0.444 147 A N 0.676 123.372 122.820 -0.207 0.000 1.902 147 A HA -0.084 4.236 4.320 0.000 0.000 0.217 147 A C 2.171 180.025 177.584 0.449 0.000 1.181 147 A CA 1.228 53.186 52.037 -0.132 0.000 0.623 147 A CB -1.164 17.456 19.000 -0.634 0.000 0.818 147 A HN 0.742 nan 8.150 nan 0.000 0.443 148 W N -0.531 120.919 121.300 0.251 0.000 2.381 148 W HA -0.051 4.609 4.660 0.000 0.000 0.301 148 W C 2.785 179.362 176.519 0.098 0.000 1.205 148 W CA 0.462 57.912 57.345 0.175 0.000 1.285 148 W CB -0.108 29.359 29.460 0.011 0.000 1.133 148 W HN 0.412 nan 8.180 nan 0.000 0.521 149 A N 0.195 123.191 122.820 0.294 0.000 1.902 149 A HA -0.236 4.084 4.320 0.000 0.000 0.217 149 A C 1.736 179.478 177.584 0.263 0.000 1.181 149 A CA 1.348 53.475 52.037 0.150 0.000 0.623 149 A CB -1.161 17.884 19.000 0.074 0.000 0.818 149 A HN 0.345 nan 8.150 nan 0.000 0.443 150 F N 0.489 120.535 119.950 0.160 0.000 2.171 150 F HA -0.086 4.441 4.527 0.000 0.000 0.300 150 F C 1.842 177.748 175.800 0.176 0.000 1.090 150 F CA 0.832 58.932 58.000 0.167 0.000 1.293 150 F CB -0.593 38.540 39.000 0.222 0.000 1.013 150 F HN 0.166 nan 8.300 nan 0.000 0.486 151 L N -0.691 120.677 121.223 0.242 0.000 2.079 151 L HA -0.277 4.064 4.340 0.000 0.000 0.210 151 L C 2.750 179.622 176.870 0.004 0.000 1.081 151 L CA 1.815 56.632 54.840 -0.038 0.000 0.752 151 L CB -0.754 41.379 42.059 0.123 0.000 0.896 151 L HN 0.275 nan 8.230 nan 0.000 0.433 152 S N -0.625 115.128 115.700 0.088 0.000 2.383 152 S HA -0.207 4.263 4.470 0.000 0.000 0.229 152 S C 2.010 176.723 174.600 0.189 0.000 1.030 152 S CA 1.367 59.636 58.200 0.116 0.000 1.002 152 S CB -0.048 63.188 63.200 0.060 0.000 0.829 152 S HN 0.521 nan 8.310 nan 0.000 0.467 153 A N 1.077 123.982 122.820 0.141 0.000 1.929 153 A HA 0.153 4.473 4.320 0.000 0.000 0.216 153 A C 2.113 179.732 177.584 0.058 0.000 1.176 153 A CA 1.133 53.249 52.037 0.132 0.000 0.628 153 A CB -0.667 18.447 19.000 0.189 0.000 0.816 153 A HN 0.613 nan 8.150 nan 0.000 0.444 154 I N -1.034 119.459 120.570 -0.128 0.000 2.286 154 I HA -0.281 3.889 4.170 0.000 0.000 0.248 154 I C 2.481 178.666 176.117 0.113 0.000 1.115 154 I CA 1.304 62.469 61.300 -0.225 0.000 1.392 154 I CB -0.294 37.238 38.000 -0.780 0.000 1.065 154 I HN 0.775 nan 8.210 nan 0.000 0.418 155 W N 1.670 122.943 121.300 -0.046 0.000 2.363 155 W HA -0.225 4.435 4.660 0.000 0.000 0.296 155 W C 2.105 178.663 176.519 0.063 0.000 1.212 155 W CA 1.223 58.581 57.345 0.021 0.000 1.260 155 W CB -0.228 29.233 29.460 0.001 0.000 1.131 155 W HN 0.142 nan 8.180 nan 0.000 0.530 156 L N 0.233 121.421 121.223 -0.060 0.000 2.109 156 L HA -0.173 4.167 4.340 0.000 0.000 0.207 156 L C 2.435 179.261 176.870 -0.073 0.000 1.086 156 L CA 2.173 56.911 54.840 -0.171 0.000 0.760 156 L CB -1.066 41.002 42.059 0.015 0.000 0.910 156 L HN 0.138 nan 8.230 nan 0.000 0.437 157 W N 0.606 121.811 121.300 -0.157 0.000 2.354 157 W HA -0.267 4.393 4.660 0.000 0.000 0.315 157 W C 2.431 178.894 176.519 -0.093 0.000 1.206 157 W CA 1.447 58.713 57.345 -0.131 0.000 1.290 157 W CB -0.248 29.107 29.460 -0.175 0.000 1.152 157 W HN 0.020 nan 8.180 nan 0.000 0.489 158 M N 0.163 119.654 119.600 -0.182 0.000 2.080 158 M HA -0.191 4.289 4.480 0.000 0.000 0.260 158 M C 1.964 178.155 176.300 -0.182 0.000 1.068 158 M CA 1.562 56.690 55.300 -0.287 0.000 1.109 158 M CB -1.646 30.956 32.600 0.002 0.000 1.342 158 M HN -0.017 nan 8.290 nan 0.000 0.405 159 V N 0.714 120.441 119.914 -0.310 0.000 2.332 159 V HA -0.272 3.848 4.120 0.000 0.000 0.248 159 V C 2.498 178.499 176.094 -0.156 0.000 1.055 159 V CA 1.486 63.590 62.300 -0.328 0.000 1.038 159 V CB -0.643 30.816 31.823 -0.608 0.000 0.651 159 V HN 0.408 nan 8.190 nan 0.000 0.450 160 L N 0.098 121.227 121.223 -0.157 0.000 2.027 160 L HA -0.031 4.309 4.340 0.000 0.000 0.206 160 L C 2.247 179.090 176.870 -0.045 0.000 1.074 160 L CA 1.824 56.606 54.840 -0.096 0.000 0.745 160 L CB -0.711 41.261 42.059 -0.146 0.000 0.898 160 L HN 0.472 nan 8.230 nan 0.000 0.433 161 G N -2.962 105.793 108.800 -0.075 0.000 3.192 161 G HA2 0.044 4.004 3.960 0.000 0.000 0.239 161 G HA3 0.044 4.004 3.960 0.000 0.000 0.239 161 G C 0.717 175.799 174.900 0.303 0.000 1.084 161 G CA -0.097 45.061 45.100 0.097 0.000 0.784 161 G HN 0.255 nan 8.290 nan 0.000 0.540 162 F N -0.371 119.601 119.950 0.037 0.000 1.964 162 F HA 0.348 4.875 4.527 0.000 0.000 0.248 162 F C 2.013 177.879 175.800 0.110 0.000 1.051 162 F CA 0.037 58.136 58.000 0.164 0.000 1.221 162 F CB 0.052 39.106 39.000 0.090 0.000 1.497 162 F HN -0.038 nan 8.300 nan 0.000 0.653 163 I N 1.072 121.776 120.570 0.224 0.000 2.179 163 I HA -0.237 3.933 4.170 0.000 0.000 0.242 163 I C 2.518 178.616 176.117 -0.031 0.000 1.088 163 I CA 1.759 63.103 61.300 0.074 0.000 1.357 163 I CB -0.549 37.504 38.000 0.089 0.000 1.051 163 I HN 0.190 nan 8.210 nan 0.000 0.409 164 R N 1.080 121.572 120.500 -0.013 0.000 2.066 164 R HA -0.104 4.236 4.340 0.000 0.000 0.232 164 R C -0.423 175.868 176.300 -0.015 0.000 1.131 164 R CA 1.450 57.551 56.100 0.003 0.000 0.955 164 R CB -1.027 29.307 30.300 0.057 0.000 0.851 164 R HN 0.184 nan 8.270 nan 0.000 0.432 165 P HA -0.148 nan 4.420 nan 0.000 0.216 165 P C 1.049 178.180 177.300 -0.281 0.000 1.150 165 P CA 1.376 64.434 63.100 -0.069 0.000 0.837 165 P CB 0.005 31.744 31.700 0.066 0.000 0.786 166 I N -1.460 118.896 120.570 -0.357 0.000 2.202 166 I HA -0.215 3.956 4.170 0.000 0.000 0.242 166 I C 2.246 178.196 176.117 -0.278 0.000 1.091 166 I CA 1.314 62.340 61.300 -0.456 0.000 1.368 166 I CB -0.606 37.104 38.000 -0.484 0.000 1.058 166 I HN -0.106 nan 8.210 nan 0.000 0.410 167 L N -0.261 120.858 121.223 -0.173 0.000 2.131 167 L HA -0.218 4.122 4.340 0.000 0.000 0.210 167 L C 2.491 179.298 176.870 -0.105 0.000 1.092 167 L CA 1.018 55.794 54.840 -0.108 0.000 0.759 167 L CB -0.387 41.641 42.059 -0.052 0.000 0.903 167 L HN 0.329 nan 8.230 nan 0.000 0.435 168 M N -0.988 118.547 119.600 -0.109 0.000 2.492 168 M HA 0.078 4.558 4.480 0.000 0.000 0.262 168 M C 1.622 177.839 176.300 -0.139 0.000 1.090 168 M CA 1.136 56.381 55.300 -0.091 0.000 1.110 168 M CB -0.708 31.864 32.600 -0.046 0.000 1.407 168 M HN 0.436 nan 8.290 nan 0.000 0.470 169 G N 1.485 110.156 108.800 -0.214 0.000 2.157 169 G HA2 -0.201 3.759 3.960 0.000 0.000 0.239 169 G HA3 -0.201 3.759 3.960 0.000 0.000 0.239 169 G C 0.134 174.843 174.900 -0.319 0.000 0.982 169 G CA 0.443 45.392 45.100 -0.253 0.000 0.650 169 G HN 0.698 nan 8.290 nan 0.000 0.527 170 S N -2.253 113.228 115.700 -0.365 0.000 2.542 170 S HA 0.478 4.949 4.470 0.000 0.000 0.276 170 S C 0.325 174.720 174.600 -0.341 0.000 1.148 170 S CA -0.040 57.932 58.200 -0.379 0.000 0.886 170 S CB 0.333 63.427 63.200 -0.177 0.000 1.109 170 S HN 0.464 nan 8.310 nan 0.000 0.458 171 W N 1.776 123.004 121.300 -0.119 0.000 2.421 171 W HA -0.052 4.608 4.660 0.000 0.000 0.270 171 W C 2.685 179.036 176.519 -0.280 0.000 1.233 171 W CA 0.812 58.053 57.345 -0.174 0.000 1.226 171 W CB -0.111 29.248 29.460 -0.168 0.000 1.121 171 W HN 0.952 nan 8.180 nan 0.000 0.579 172 S N 0.120 115.816 115.700 -0.008 0.000 2.465 172 S HA -0.199 4.271 4.470 0.000 0.000 0.241 172 S C 1.436 176.051 174.600 0.024 0.000 1.000 172 S CA 1.263 59.437 58.200 -0.043 0.000 0.964 172 S CB -0.282 62.916 63.200 -0.005 0.000 0.763 172 S HN 0.264 nan 8.310 nan 0.000 0.512 173 E N 1.483 121.724 120.200 0.067 0.000 2.371 173 E HA 0.300 4.650 4.350 0.000 0.000 0.194 173 E C 1.149 177.953 176.600 0.341 0.000 1.012 173 E CA 0.544 57.068 56.400 0.207 0.000 0.860 173 E CB -0.275 29.516 29.700 0.153 0.000 0.811 173 E HN 0.739 nan 8.360 nan 0.000 0.502 174 A N 1.061 123.968 122.820 0.145 0.000 2.310 174 A HA 0.260 4.580 4.320 0.000 0.000 0.260 174 A C 0.434 177.908 177.584 -0.183 0.000 1.112 174 A CA -0.388 51.693 52.037 0.074 0.000 0.804 174 A CB 0.504 19.614 19.000 0.184 0.000 1.081 174 A HN -0.039 nan 8.150 nan 0.000 0.499 175 V N 2.446 122.080 119.914 -0.466 0.000 2.546 175 V HA 0.327 4.447 4.120 0.000 0.000 0.284 175 V C -1.832 174.039 176.094 -0.371 0.000 1.050 175 V CA -1.084 60.683 62.300 -0.889 0.000 0.981 175 V CB 0.949 32.212 31.823 -0.935 0.000 0.990 175 V HN 0.863 nan 8.190 nan 0.000 0.474 176 P HA 0.222 nan 4.420 nan 0.000 0.277 176 P C -1.429 175.867 177.300 -0.007 0.000 1.240 176 P CA -0.448 62.622 63.100 -0.050 0.000 0.798 176 P CB 0.597 32.346 31.700 0.082 0.000 0.979 177 Y N 0.832 121.350 120.300 0.365 0.000 2.650 177 Y HA 0.567 5.117 4.550 0.000 0.000 0.343 177 Y C 1.336 177.427 175.900 0.319 0.000 1.078 177 Y CA 0.402 58.660 58.100 0.263 0.000 1.356 177 Y CB 0.149 38.709 38.460 0.167 0.000 1.204 177 Y HN 0.543 nan 8.280 nan 0.000 0.508 178 G N 1.644 110.666 108.800 0.369 0.000 2.616 178 G HA2 0.340 4.300 3.960 0.000 0.000 0.294 178 G HA3 0.340 4.300 3.960 0.000 0.000 0.294 178 G C -0.078 174.943 174.900 0.202 0.000 1.489 178 G CA -0.775 44.547 45.100 0.370 0.000 0.836 178 G HN 0.196 nan 8.290 nan 0.000 0.527 179 I N 0.586 121.196 120.570 0.066 0.000 2.110 179 I HA 0.009 4.179 4.170 0.000 0.000 0.236 179 I C 2.504 178.737 176.117 0.193 0.000 1.068 179 I CA 1.347 62.599 61.300 -0.079 0.000 1.333 179 I CB -1.058 36.536 38.000 -0.676 0.000 1.054 179 I HN 0.447 nan 8.210 nan 0.000 0.402 180 F N 1.811 121.744 119.950 -0.028 0.000 2.163 180 F HA -0.122 4.405 4.527 0.000 0.000 0.297 180 F C 3.006 178.844 175.800 0.064 0.000 1.094 180 F CA 1.107 59.078 58.000 -0.048 0.000 1.290 180 F CB -1.679 37.200 39.000 -0.202 0.000 1.017 180 F HN 0.176 nan 8.300 nan 0.000 0.483 181 S N 0.193 116.079 115.700 0.310 0.000 2.383 181 S HA -0.286 4.184 4.470 0.000 0.000 0.229 181 S C 2.075 176.870 174.600 0.325 0.000 1.030 181 S CA 1.689 60.058 58.200 0.282 0.000 1.002 181 S CB -1.332 62.027 63.200 0.264 0.000 0.829 181 S HN 0.662 nan 8.310 nan 0.000 0.467 182 H N 1.818 121.002 119.070 0.190 0.000 2.524 182 H HA 0.188 4.744 4.556 0.000 0.000 0.282 182 H C 1.815 177.288 175.328 0.242 0.000 1.016 182 H CA 1.045 57.200 56.048 0.177 0.000 1.270 182 H CB -0.464 29.357 29.762 0.098 0.000 1.394 182 H HN 0.449 nan 8.280 nan 0.000 0.568 183 L N 0.487 121.671 121.223 -0.065 0.000 2.095 183 L HA -0.079 4.261 4.340 0.000 0.000 0.204 183 L C 2.195 179.092 176.870 0.045 0.000 1.080 183 L CA 0.998 55.764 54.840 -0.124 0.000 0.759 183 L CB -0.240 41.779 42.059 -0.065 0.000 0.914 183 L HN 0.111 nan 8.230 nan 0.000 0.439 184 D N -0.439 120.028 120.400 0.111 0.000 2.117 184 D HA -0.242 4.398 4.640 0.000 0.000 0.197 184 D C 1.751 178.149 176.300 0.164 0.000 0.987 184 D CA 1.152 55.217 54.000 0.109 0.000 0.829 184 D CB -0.254 40.619 40.800 0.120 0.000 0.961 184 D HN 0.404 nan 8.370 nan 0.000 0.460 185 W N 1.797 123.132 121.300 0.059 0.000 2.338 185 W HA -0.220 4.440 4.660 0.000 0.000 0.304 185 W C 2.183 178.764 176.519 0.103 0.000 1.212 185 W CA 2.115 59.514 57.345 0.091 0.000 1.264 185 W CB -0.328 29.195 29.460 0.106 0.000 1.142 185 W HN -0.156 nan 8.180 nan 0.000 0.512 186 T N 0.344 115.134 114.554 0.393 0.000 2.708 186 T HA -0.271 4.079 4.350 0.000 0.000 0.266 186 T C 1.428 176.139 174.700 0.019 0.000 1.037 186 T CA 1.755 63.984 62.100 0.215 0.000 1.146 186 T CB -0.645 68.332 68.868 0.181 0.000 0.865 186 T HN 0.265 nan 8.240 nan 0.000 0.435 187 N N 1.638 120.344 118.700 0.011 0.000 2.080 187 N HA -0.111 4.629 4.740 0.000 0.000 0.189 187 N C 1.694 177.174 175.510 -0.050 0.000 1.036 187 N CA 1.792 54.825 53.050 -0.029 0.000 0.846 187 N CB -0.648 37.824 38.487 -0.025 0.000 1.015 187 N HN 0.324 nan 8.380 nan 0.000 0.423 188 N N -0.841 117.820 118.700 -0.066 0.000 2.094 188 N HA -0.207 4.533 4.740 0.000 0.000 0.191 188 N C 1.615 177.038 175.510 -0.145 0.000 1.023 188 N CA 1.397 54.382 53.050 -0.109 0.000 0.857 188 N CB -0.552 37.862 38.487 -0.122 0.000 1.013 188 N HN 0.325 nan 8.380 nan 0.000 0.426 189 F N 0.497 120.206 119.950 -0.402 0.000 2.120 189 F HA -0.183 4.344 4.527 0.000 0.000 0.300 189 F C 2.727 178.493 175.800 -0.056 0.000 1.095 189 F CA 1.748 59.529 58.000 -0.364 0.000 1.249 189 F CB -0.848 37.688 39.000 -0.773 0.000 0.995 189 F HN 0.092 nan 8.300 nan 0.000 0.480 190 S N -0.134 115.626 115.700 0.101 0.000 2.355 190 S HA -0.145 4.325 4.470 0.000 0.000 0.222 190 S C 2.028 176.621 174.600 -0.011 0.000 1.031 190 S CA 1.241 59.463 58.200 0.036 0.000 0.993 190 S CB -0.559 62.586 63.200 -0.092 0.000 0.859 190 S HN 0.269 nan 8.310 nan 0.000 0.453 191 L N 1.613 122.802 121.223 -0.057 0.000 2.012 191 L HA -0.033 4.307 4.340 0.000 0.000 0.210 191 L C 2.492 179.292 176.870 -0.116 0.000 1.073 191 L CA 1.473 56.270 54.840 -0.071 0.000 0.748 191 L CB -1.141 40.872 42.059 -0.078 0.000 0.891 191 L HN 0.213 nan 8.230 nan 0.000 0.431 192 V N -1.446 118.346 119.914 -0.202 0.000 2.759 192 V HA -0.230 3.890 4.120 0.000 0.000 0.256 192 V C 1.274 177.033 176.094 -0.557 0.000 1.080 192 V CA 1.294 63.366 62.300 -0.379 0.000 1.101 192 V CB -0.825 30.699 31.823 -0.498 0.000 0.698 192 V HN 0.554 nan 8.190 nan 0.000 0.477 193 H N -0.466 118.462 119.070 -0.236 0.000 2.487 193 H HA 0.464 5.020 4.556 0.000 0.000 0.290 193 H C 1.430 176.773 175.328 0.025 0.000 1.081 193 H CA 0.362 56.312 56.048 -0.163 0.000 1.116 193 H CB 0.132 29.779 29.762 -0.192 0.000 1.560 193 H HN 0.351 nan 8.280 nan 0.000 0.548 194 G N 1.729 110.575 108.800 0.077 0.000 2.256 194 G HA2 -0.362 3.598 3.960 0.000 0.000 0.272 194 G HA3 -0.362 3.598 3.960 0.000 0.000 0.272 194 G C -0.244 174.847 174.900 0.318 0.000 1.076 194 G CA 0.252 45.450 45.100 0.163 0.000 0.882 194 G HN 0.811 nan 8.290 nan 0.000 0.497 195 N N -2.305 116.529 118.700 0.223 0.000 2.883 195 N HA -0.155 4.585 4.740 0.000 0.000 0.277 195 N C 0.913 176.535 175.510 0.187 0.000 1.707 195 N CA 0.312 53.474 53.050 0.185 0.000 1.494 195 N CB -0.518 38.178 38.487 0.348 0.000 0.821 195 N HN 0.490 nan 8.380 nan 0.000 0.482 196 L N 4.291 125.449 121.223 -0.108 0.000 2.456 196 L HA 0.086 4.426 4.340 0.000 0.000 0.224 196 L C 1.442 178.148 176.870 -0.273 0.000 1.148 196 L CA 1.358 56.014 54.840 -0.307 0.000 0.825 196 L CB -0.439 41.232 42.059 -0.646 0.000 0.937 196 L HN 0.659 nan 8.230 nan 0.000 0.450 197 F N -1.804 118.044 119.950 -0.170 0.000 2.333 197 F HA -0.188 4.339 4.527 0.000 0.000 0.300 197 F C 1.779 177.472 175.800 -0.177 0.000 1.083 197 F CA 0.772 58.687 58.000 -0.142 0.000 1.395 197 F CB -0.950 37.897 39.000 -0.255 0.000 1.056 197 F HN 0.145 nan 8.300 nan 0.000 0.529 198 Y N -1.193 119.270 120.300 0.272 0.000 2.490 198 Y HA 0.048 4.598 4.550 0.000 0.000 0.281 198 Y C 1.094 177.061 175.900 0.111 0.000 1.174 198 Y CA -0.320 57.945 58.100 0.274 0.000 1.295 198 Y CB -0.644 38.070 38.460 0.423 0.000 1.062 198 Y HN -0.145 nan 8.280 nan 0.000 0.522 199 N N 2.791 121.398 118.700 -0.155 0.000 2.401 199 N HA 0.026 4.766 4.740 0.000 0.000 0.255 199 N C -1.704 173.557 175.510 -0.415 0.000 1.110 199 N CA -1.920 50.589 53.050 -0.902 0.000 0.949 199 N CB 1.146 38.813 38.487 -1.366 0.000 1.110 199 N HN 0.030 nan 8.380 nan 0.000 0.490 200 P HA -0.168 nan 4.420 nan 0.000 0.216 200 P C 1.118 178.234 177.300 -0.308 0.000 1.153 200 P CA 1.366 64.309 63.100 -0.262 0.000 0.858 200 P CB -0.003 31.530 31.700 -0.278 0.000 0.789 201 F N -0.964 118.867 119.950 -0.199 0.000 2.325 201 F HA -0.096 4.432 4.527 0.000 0.000 0.299 201 F C 2.849 178.629 175.800 -0.033 0.000 1.090 201 F CA 1.042 58.998 58.000 -0.074 0.000 1.392 201 F CB -1.209 37.752 39.000 -0.065 0.000 1.053 201 F HN 0.108 nan 8.300 nan 0.000 0.521 202 H N -0.304 118.738 119.070 -0.047 0.000 2.395 202 H HA -0.044 4.512 4.556 0.000 0.000 0.299 202 H C 2.363 177.676 175.328 -0.025 0.000 1.070 202 H CA 1.329 57.355 56.048 -0.038 0.000 1.356 202 H CB -0.276 29.423 29.762 -0.105 0.000 1.401 202 H HN 0.326 nan 8.280 nan 0.000 0.524 203 G N 1.022 109.805 108.800 -0.028 0.000 2.408 203 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 203 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 203 G C 1.982 176.786 174.900 -0.160 0.000 1.150 203 G CA 0.475 45.516 45.100 -0.098 0.000 0.776 203 G HN 0.317 nan 8.290 nan 0.000 0.542 204 L N 0.470 121.628 121.223 -0.108 0.000 2.027 204 L HA -0.072 4.268 4.340 0.000 0.000 0.206 204 L C 3.098 179.946 176.870 -0.036 0.000 1.074 204 L CA 1.272 56.047 54.840 -0.109 0.000 0.745 204 L CB -0.488 41.616 42.059 0.075 0.000 0.898 204 L HN 0.324 nan 8.230 nan 0.000 0.433 205 S N 0.123 115.880 115.700 0.095 0.000 2.387 205 S HA -0.197 4.273 4.470 0.000 0.000 0.230 205 S C 1.959 176.529 174.600 -0.050 0.000 1.035 205 S CA 1.347 59.630 58.200 0.138 0.000 1.014 205 S CB -0.253 62.985 63.200 0.064 0.000 0.836 205 S HN 0.288 nan 8.310 nan 0.000 0.466 206 I N 1.203 121.610 120.570 -0.272 0.000 2.252 206 I HA -0.146 4.024 4.170 0.000 0.000 0.245 206 I C 2.740 178.557 176.117 -0.499 0.000 1.102 206 I CA 0.968 61.975 61.300 -0.488 0.000 1.385 206 I CB -0.555 37.095 38.000 -0.584 0.000 1.064 206 I HN 0.371 nan 8.210 nan 0.000 0.414 207 A N 1.002 123.596 122.820 -0.377 0.000 1.892 207 A HA -0.234 4.086 4.320 0.000 0.000 0.218 207 A C 1.993 179.407 177.584 -0.284 0.000 1.188 207 A CA 1.804 53.625 52.037 -0.360 0.000 0.631 207 A CB -0.966 17.706 19.000 -0.546 0.000 0.822 207 A HN 0.364 nan 8.150 nan 0.000 0.447 208 F N -1.131 118.823 119.950 0.006 0.000 2.325 208 F HA 0.026 4.553 4.527 0.000 0.000 0.299 208 F C 1.925 177.764 175.800 0.064 0.000 1.090 208 F CA 0.796 58.834 58.000 0.063 0.000 1.392 208 F CB -0.521 38.531 39.000 0.086 0.000 1.053 208 F HN 0.232 nan 8.300 nan 0.000 0.521 209 L N -1.067 120.242 121.223 0.144 0.000 2.044 209 L HA -0.169 4.171 4.340 0.000 0.000 0.205 209 L C 2.200 179.191 176.870 0.202 0.000 1.075 209 L CA 1.836 56.749 54.840 0.122 0.000 0.747 209 L CB -1.014 41.048 42.059 0.006 0.000 0.903 209 L HN 0.016 nan 8.230 nan 0.000 0.435 210 Y N 0.214 120.553 120.300 0.065 0.000 2.181 210 Y HA -0.044 4.506 4.550 0.000 0.000 0.288 210 Y C 2.577 178.515 175.900 0.064 0.000 1.146 210 Y CA 0.864 58.993 58.100 0.047 0.000 1.164 210 Y CB -1.573 36.891 38.460 0.008 0.000 0.982 210 Y HN 0.254 nan 8.280 nan 0.000 0.515 211 G N -1.440 107.501 108.800 0.234 0.000 2.448 211 G HA2 -0.202 3.759 3.960 0.000 0.000 0.219 211 G HA3 -0.202 3.759 3.960 0.000 0.000 0.219 211 G C 1.900 176.911 174.900 0.186 0.000 1.127 211 G CA 1.204 46.412 45.100 0.180 0.000 0.766 211 G HN 0.382 nan 8.290 nan 0.000 0.552 212 S N 0.554 116.382 115.700 0.214 0.000 2.414 212 S HA 0.146 4.616 4.470 0.000 0.000 0.227 212 S C 2.697 177.429 174.600 0.220 0.000 1.022 212 S CA 0.874 59.195 58.200 0.201 0.000 0.958 212 S CB -0.101 63.222 63.200 0.205 0.000 0.797 212 S HN 0.548 nan 8.310 nan 0.000 0.493 213 A N 1.238 124.184 122.820 0.210 0.000 1.970 213 A HA 0.097 4.417 4.320 0.000 0.000 0.216 213 A C 2.041 179.720 177.584 0.159 0.000 1.170 213 A CA 0.837 52.988 52.037 0.191 0.000 0.645 213 A CB -0.547 18.548 19.000 0.158 0.000 0.816 213 A HN 0.417 nan 8.150 nan 0.000 0.447 214 L N -0.587 120.715 121.223 0.133 0.000 1.994 214 L HA -0.112 4.228 4.340 0.000 0.000 0.208 214 L C 2.196 179.109 176.870 0.071 0.000 1.071 214 L CA 2.224 57.116 54.840 0.088 0.000 0.745 214 L CB -0.629 41.471 42.059 0.068 0.000 0.892 214 L HN 0.305 nan 8.230 nan 0.000 0.431 215 L N -1.663 119.598 121.223 0.064 0.000 2.109 215 L HA -0.117 4.223 4.340 0.000 0.000 0.207 215 L C 2.191 179.130 176.870 0.116 0.000 1.086 215 L CA 1.534 56.376 54.840 0.003 0.000 0.760 215 L CB -0.769 41.269 42.059 -0.034 0.000 0.910 215 L HN 0.296 nan 8.230 nan 0.000 0.437 216 F N -0.032 119.948 119.950 0.050 0.000 2.259 216 F HA 0.060 4.587 4.527 0.000 0.000 0.298 216 F C 2.342 178.182 175.800 0.067 0.000 1.088 216 F CA 0.578 58.628 58.000 0.082 0.000 1.358 216 F CB -0.830 38.221 39.000 0.086 0.000 1.040 216 F HN 0.178 nan 8.300 nan 0.000 0.505 217 A N -0.220 122.755 122.820 0.258 0.000 1.898 217 A HA -0.178 4.143 4.320 0.000 0.000 0.216 217 A C 2.324 179.995 177.584 0.144 0.000 1.181 217 A CA 1.563 53.681 52.037 0.135 0.000 0.620 217 A CB -0.628 18.430 19.000 0.096 0.000 0.819 217 A HN 0.353 nan 8.150 nan 0.000 0.442 218 M N -1.844 117.842 119.600 0.144 0.000 2.067 218 M HA -0.168 4.312 4.480 0.000 0.000 0.260 218 M C 2.319 178.722 176.300 0.171 0.000 1.069 218 M CA 2.144 57.530 55.300 0.143 0.000 1.117 218 M CB -0.495 32.031 32.600 -0.124 0.000 1.334 218 M HN 0.691 nan 8.290 nan 0.000 0.407 219 H N -0.198 118.896 119.070 0.040 0.000 2.357 219 H HA -0.035 4.521 4.556 0.000 0.000 0.301 219 H C 1.937 177.344 175.328 0.131 0.000 1.082 219 H CA 2.087 58.161 56.048 0.044 0.000 1.342 219 H CB -0.577 29.163 29.762 -0.037 0.000 1.389 219 H HN 0.337 nan 8.280 nan 0.000 0.511 220 G N -0.218 108.664 108.800 0.136 0.000 2.422 220 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 220 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 220 G C 1.889 176.739 174.900 -0.084 0.000 1.146 220 G CA 0.879 45.975 45.100 -0.008 0.000 0.769 220 G HN 0.602 nan 8.290 nan 0.000 0.547 221 A N 0.215 123.014 122.820 -0.034 0.000 1.930 221 A HA 0.040 4.360 4.320 0.000 0.000 0.217 221 A C 2.526 180.046 177.584 -0.106 0.000 1.175 221 A CA 2.321 54.316 52.037 -0.069 0.000 0.627 221 A CB -0.792 18.189 19.000 -0.031 0.000 0.815 221 A HN 0.286 nan 8.150 nan 0.000 0.443 222 T N 0.577 115.096 114.554 -0.058 0.000 2.674 222 T HA -0.100 4.250 4.350 0.000 0.000 0.265 222 T C 1.804 176.446 174.700 -0.096 0.000 1.039 222 T CA 1.431 63.493 62.100 -0.064 0.000 1.150 222 T CB -0.276 68.681 68.868 0.148 0.000 0.864 222 T HN 0.278 nan 8.240 nan 0.000 0.427 223 I N 1.244 121.718 120.570 -0.160 0.000 2.226 223 I HA -0.084 4.086 4.170 0.000 0.000 0.245 223 I C 2.364 178.420 176.117 -0.102 0.000 1.100 223 I CA 1.265 62.479 61.300 -0.142 0.000 1.374 223 I CB -1.286 36.570 38.000 -0.240 0.000 1.057 223 I HN 0.275 nan 8.210 nan 0.000 0.413 224 L N 0.468 121.613 121.223 -0.130 0.000 2.083 224 L HA -0.157 4.183 4.340 0.000 0.000 0.209 224 L C 2.689 179.482 176.870 -0.128 0.000 1.083 224 L CA 1.259 56.016 54.840 -0.137 0.000 0.752 224 L CB -0.702 41.257 42.059 -0.167 0.000 0.899 224 L HN 0.181 nan 8.230 nan 0.000 0.433 225 A N -0.076 122.669 122.820 -0.125 0.000 2.070 225 A HA -0.098 4.222 4.320 0.000 0.000 0.220 225 A C 1.823 179.382 177.584 -0.043 0.000 1.159 225 A CA 1.657 53.624 52.037 -0.116 0.000 0.656 225 A CB -0.470 18.425 19.000 -0.176 0.000 0.800 225 A HN 0.372 nan 8.150 nan 0.000 0.453 226 V N -2.454 117.464 119.914 0.007 0.000 3.176 226 V HA 0.163 4.283 4.120 0.000 0.000 0.332 226 V C 1.357 177.514 176.094 0.106 0.000 1.414 226 V CA 0.769 63.173 62.300 0.172 0.000 1.133 226 V CB -0.626 31.338 31.823 0.236 0.000 1.088 226 V HN 0.475 nan 8.190 nan 0.000 0.473 227 S N 1.994 117.677 115.700 -0.028 0.000 2.474 227 S HA -0.179 4.291 4.470 0.000 0.000 0.235 227 S C 1.911 176.454 174.600 -0.096 0.000 0.997 227 S CA 1.038 59.215 58.200 -0.038 0.000 0.949 227 S CB -0.673 62.490 63.200 -0.060 0.000 0.766 227 S HN 0.865 nan 8.310 nan 0.000 0.517 228 R N 0.413 120.756 120.500 -0.261 0.000 2.293 228 R HA 0.032 4.372 4.340 0.000 0.000 0.219 228 R C 0.223 176.185 176.300 -0.563 0.000 1.091 228 R CA 1.043 56.864 56.100 -0.464 0.000 1.004 228 R CB -0.682 29.195 30.300 -0.704 0.000 0.865 228 R HN 0.557 nan 8.270 nan 0.000 0.469 229 F N -0.045 119.905 119.950 -0.001 0.000 2.735 229 F HA 0.457 4.984 4.527 0.000 0.000 0.308 229 F C 1.074 176.875 175.800 0.002 0.000 1.112 229 F CA -0.313 57.688 58.000 0.001 0.000 1.235 229 F CB 1.206 40.205 39.000 -0.003 0.000 1.027 229 F HN 0.166 nan 8.300 nan 0.000 0.528 230 G N 0.641 109.511 108.800 0.117 0.000 2.160 230 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 230 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 230 G C 1.405 176.357 174.900 0.087 0.000 1.022 230 G CA 0.202 45.351 45.100 0.082 0.000 0.741 230 G HN 0.695 nan 8.290 nan 0.000 0.508 231 G N 0.254 109.118 108.800 0.107 0.000 2.462 231 G HA2 -0.017 3.943 3.960 0.000 0.000 0.220 231 G HA3 -0.017 3.943 3.960 0.000 0.000 0.220 231 G C 1.302 176.238 174.900 0.059 0.000 1.121 231 G CA 1.542 46.697 45.100 0.091 0.000 0.758 231 G HN 0.680 nan 8.290 nan 0.000 0.559 232 E N -0.163 120.058 120.200 0.035 0.000 2.265 232 E HA -0.038 4.312 4.350 0.000 0.000 0.196 232 E C 1.320 177.938 176.600 0.031 0.000 0.996 232 E CA 0.443 56.858 56.400 0.024 0.000 0.832 232 E CB -0.613 29.087 29.700 0.001 0.000 0.756 232 E HN 0.309 nan 8.360 nan 0.000 0.491 233 C N 2.861 122.180 119.300 0.032 0.000 3.424 233 C HA 0.111 4.571 4.460 0.000 0.000 0.577 233 C C 1.353 176.360 174.990 0.028 0.000 1.086 233 C CA -0.512 58.520 59.018 0.023 0.000 1.153 233 C CB -1.890 25.864 27.740 0.023 0.000 1.411 233 C HN 0.377 nan 8.230 nan 0.000 0.636 234 E N 0.912 121.131 120.200 0.032 0.000 2.038 234 E HA -0.205 4.145 4.350 0.000 0.000 0.195 234 E C 1.842 178.446 176.600 0.007 0.000 1.000 234 E CA 1.179 57.606 56.400 0.045 0.000 0.803 234 E CB -0.057 29.677 29.700 0.056 0.000 0.750 234 E HN 0.722 nan 8.360 nan 0.000 0.448 235 L N 0.920 122.124 121.223 -0.031 0.000 2.127 235 L HA -0.218 4.122 4.340 0.000 0.000 0.211 235 L C 2.678 179.540 176.870 -0.013 0.000 1.089 235 L CA 1.217 56.034 54.840 -0.038 0.000 0.757 235 L CB -0.354 41.672 42.059 -0.055 0.000 0.899 235 L HN 0.217 nan 8.230 nan 0.000 0.434 236 E N -0.432 119.767 120.200 -0.002 0.000 2.106 236 E HA -0.215 4.135 4.350 0.000 0.000 0.192 236 E C 2.126 178.735 176.600 0.016 0.000 0.984 236 E CA 0.772 57.176 56.400 0.006 0.000 0.806 236 E CB 0.191 29.897 29.700 0.010 0.000 0.750 236 E HN 0.461 nan 8.360 nan 0.000 0.458 237 Q N 0.037 119.852 119.800 0.026 0.000 2.311 237 Q HA -0.048 4.292 4.340 0.000 0.000 0.203 237 Q C 2.242 178.262 176.000 0.033 0.000 0.954 237 Q CA 0.635 56.459 55.803 0.034 0.000 0.885 237 Q CB 0.172 28.941 28.738 0.052 0.000 0.963 237 Q HN 0.477 nan 8.270 nan 0.000 0.471 238 I N 0.289 120.877 120.570 0.030 0.000 2.233 238 I HA -0.186 3.984 4.170 0.000 0.000 0.243 238 I C 2.296 178.424 176.117 0.018 0.000 1.093 238 I CA 0.983 62.300 61.300 0.029 0.000 1.380 238 I CB -0.364 37.648 38.000 0.019 0.000 1.067 238 I HN 0.024 nan 8.210 nan 0.000 0.413 239 A N -0.682 122.143 122.820 0.010 0.000 1.969 239 A HA -0.163 4.157 4.320 0.000 0.000 0.218 239 A C 0.893 178.483 177.584 0.009 0.000 1.169 239 A CA 1.489 53.530 52.037 0.007 0.000 0.635 239 A CB -0.120 18.880 19.000 0.000 0.000 0.810 239 A HN 0.393 nan 8.150 nan 0.000 0.445 240 D N -1.096 119.311 120.400 0.012 0.000 2.472 240 D HA 0.163 4.803 4.640 0.000 0.000 0.248 240 D C -0.406 175.902 176.300 0.013 0.000 1.271 240 D CA -0.464 53.542 54.000 0.011 0.000 0.888 240 D CB 0.039 40.845 40.800 0.010 0.000 1.337 240 D HN 0.241 nan 8.370 nan 0.000 0.526 241 R N 1.171 121.679 120.500 0.013 0.000 2.500 241 R HA 0.302 4.642 4.340 0.000 0.000 0.281 241 R C 0.297 176.596 176.300 -0.000 0.000 0.953 241 R CA 0.656 56.762 56.100 0.010 0.000 1.108 241 R CB 0.303 30.608 30.300 0.009 0.000 0.901 241 R HN 0.405 nan 8.270 nan 0.000 0.410 242 G N 0.615 109.411 108.800 -0.006 0.000 2.932 242 G HA2 0.103 4.063 3.960 0.000 0.000 0.283 242 G HA3 0.103 4.063 3.960 0.000 0.000 0.283 242 G C 0.400 175.258 174.900 -0.071 0.000 1.336 242 G CA -0.316 44.771 45.100 -0.022 0.000 1.056 242 G HN 0.562 nan 8.290 nan 0.000 0.522 243 T N -0.443 114.036 114.554 -0.125 0.000 2.929 243 T HA -0.030 4.320 4.350 0.000 0.000 0.271 243 T C 2.489 176.967 174.700 -0.370 0.000 1.085 243 T CA 2.324 64.267 62.100 -0.262 0.000 1.125 243 T CB -0.475 68.175 68.868 -0.362 0.000 0.874 243 T HN 0.642 nan 8.240 nan 0.000 0.494 244 A N 0.859 123.542 122.820 -0.229 0.000 1.873 244 A HA 0.261 4.581 4.320 0.000 0.000 0.215 244 A C 2.699 180.248 177.584 -0.057 0.000 1.186 244 A CA 1.806 53.782 52.037 -0.101 0.000 0.616 244 A CB -1.224 17.848 19.000 0.120 0.000 0.823 244 A HN 0.612 nan 8.150 nan 0.000 0.442 245 A N -0.214 122.587 122.820 -0.031 0.000 1.969 245 A HA -0.125 4.195 4.320 0.000 0.000 0.218 245 A C 1.915 179.478 177.584 -0.034 0.000 1.169 245 A CA 1.518 53.555 52.037 -0.001 0.000 0.635 245 A CB -0.441 18.570 19.000 0.019 0.000 0.810 245 A HN 0.647 nan 8.150 nan 0.000 0.445 246 E N -0.297 119.853 120.200 -0.084 0.000 2.046 246 E HA -0.153 4.197 4.350 0.000 0.000 0.190 246 E C 2.308 178.812 176.600 -0.160 0.000 0.982 246 E CA 0.975 57.310 56.400 -0.108 0.000 0.800 246 E CB -0.202 29.427 29.700 -0.118 0.000 0.756 246 E HN 0.548 nan 8.360 nan 0.000 0.449 247 R N 0.801 121.178 120.500 -0.205 0.000 2.081 247 R HA -0.069 4.271 4.340 0.000 0.000 0.235 247 R C 2.439 178.652 176.300 -0.146 0.000 1.131 247 R CA 1.046 57.010 56.100 -0.226 0.000 0.960 247 R CB -0.370 29.774 30.300 -0.261 0.000 0.856 247 R HN 0.095 nan 8.270 nan 0.000 0.436 248 A N 1.645 124.427 122.820 -0.064 0.000 1.883 248 A HA -0.164 4.156 4.320 0.000 0.000 0.217 248 A C 2.435 180.080 177.584 0.102 0.000 1.186 248 A CA 1.866 53.922 52.037 0.032 0.000 0.624 248 A CB -0.765 18.282 19.000 0.078 0.000 0.822 248 A HN 0.400 nan 8.150 nan 0.000 0.444 249 A N -0.513 122.330 122.820 0.038 0.000 1.933 249 A HA -0.021 4.300 4.320 0.000 0.000 0.218 249 A C 2.148 179.690 177.584 -0.071 0.000 1.175 249 A CA 1.513 53.574 52.037 0.039 0.000 0.628 249 A CB -0.559 18.442 19.000 0.003 0.000 0.814 249 A HN 0.482 nan 8.150 nan 0.000 0.444 250 L N -2.033 119.030 121.223 -0.266 0.000 2.217 250 L HA -0.074 4.266 4.340 0.000 0.000 0.211 250 L C 2.404 178.823 176.870 -0.750 0.000 1.107 250 L CA 1.055 55.498 54.840 -0.662 0.000 0.783 250 L CB -0.489 40.982 42.059 -0.979 0.000 0.919 250 L HN 0.546 nan 8.230 nan 0.000 0.442 251 F N 0.195 119.806 119.950 -0.564 0.000 2.069 251 F HA -0.248 4.279 4.527 0.000 0.000 0.298 251 F C 2.014 177.520 175.800 -0.491 0.000 1.113 251 F CA 1.670 59.352 58.000 -0.531 0.000 1.214 251 F CB -0.375 38.263 39.000 -0.604 0.000 0.978 251 F HN -0.040 nan 8.300 nan 0.000 0.474 252 W N 0.636 121.945 121.300 0.015 0.000 2.418 252 W HA -0.036 4.624 4.660 0.000 0.000 0.292 252 W C 2.785 179.195 176.519 -0.181 0.000 1.213 252 W CA 1.221 58.510 57.345 -0.093 0.000 1.283 252 W CB -0.462 28.945 29.460 -0.089 0.000 1.119 252 W HN -0.058 nan 8.180 nan 0.000 0.542 253 R N -0.286 120.225 120.500 0.019 0.000 2.081 253 R HA -0.184 4.156 4.340 0.000 0.000 0.235 253 R C 1.885 178.293 176.300 0.179 0.000 1.131 253 R CA 2.027 58.170 56.100 0.072 0.000 0.960 253 R CB -0.762 29.558 30.300 0.034 0.000 0.856 253 R HN 0.099 nan 8.270 nan 0.000 0.436 254 W N 0.543 121.777 121.300 -0.110 0.000 2.467 254 W HA 0.040 4.700 4.660 0.000 0.000 0.275 254 W C 2.089 178.486 176.519 -0.204 0.000 1.239 254 W CA 0.994 58.249 57.345 -0.150 0.000 1.266 254 W CB -0.960 28.384 29.460 -0.192 0.000 1.112 254 W HN 0.143 nan 8.180 nan 0.000 0.576 255 T N 0.652 115.140 114.554 -0.111 0.000 2.770 255 T HA -0.101 4.249 4.350 0.000 0.000 0.258 255 T C 1.660 176.368 174.700 0.014 0.000 1.039 255 T CA 1.757 63.739 62.100 -0.198 0.000 1.143 255 T CB -0.276 68.264 68.868 -0.546 0.000 0.866 255 T HN 0.186 nan 8.240 nan 0.000 0.428 256 M N -0.624 119.048 119.600 0.120 0.000 2.412 256 M HA 0.589 5.069 4.480 0.000 0.000 0.315 256 M C 1.259 177.746 176.300 0.313 0.000 1.092 256 M CA 0.194 55.625 55.300 0.218 0.000 0.974 256 M CB 0.849 33.616 32.600 0.279 0.000 1.437 256 M HN 0.309 nan 8.290 nan 0.000 0.524 257 G N 2.150 111.101 108.800 0.252 0.000 2.179 257 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 257 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 257 G C -0.210 174.928 174.900 0.396 0.000 0.977 257 G CA 0.605 45.876 45.100 0.284 0.000 0.641 257 G HN 0.857 nan 8.290 nan 0.000 0.533 258 F N -0.098 119.912 119.950 0.100 0.000 2.711 258 F HA 0.770 5.297 4.527 0.000 0.000 0.313 258 F C -0.830 175.029 175.800 0.098 0.000 1.141 258 F CA -1.466 56.587 58.000 0.088 0.000 0.941 258 F CB 0.673 39.713 39.000 0.067 0.000 1.349 258 F HN 0.389 nan 8.300 nan 0.000 0.464 259 N N 1.107 119.785 118.700 -0.037 0.000 3.243 259 N HA 0.789 5.529 4.740 0.000 0.000 0.280 259 N C -1.725 173.778 175.510 -0.012 0.000 1.545 259 N CA -0.601 52.368 53.050 -0.136 0.000 0.854 259 N CB 1.875 40.370 38.487 0.013 0.000 1.612 259 N HN 1.089 nan 8.380 nan 0.000 0.577 260 A N -0.195 122.613 122.820 -0.019 0.000 2.578 260 A HA 0.845 5.165 4.320 0.000 0.000 0.255 260 A C -0.201 177.436 177.584 0.089 0.000 1.251 260 A CA -0.180 51.911 52.037 0.090 0.000 0.882 260 A CB 0.625 19.659 19.000 0.057 0.000 1.416 260 A HN 0.894 nan 8.150 nan 0.000 0.462 261 T N -3.628 110.990 114.554 0.107 0.000 2.926 261 T HA 0.455 4.805 4.350 0.000 0.000 0.289 261 T C 0.776 175.534 174.700 0.098 0.000 1.054 261 T CA -0.158 61.996 62.100 0.091 0.000 1.015 261 T CB 1.086 70.008 68.868 0.090 0.000 1.167 261 T HN 0.461 nan 8.240 nan 0.000 0.526 262 M N 0.491 120.155 119.600 0.107 0.000 2.149 262 M HA 0.004 4.484 4.480 0.000 0.000 0.261 262 M C 2.048 178.484 176.300 0.226 0.000 1.064 262 M CA 1.760 57.154 55.300 0.158 0.000 1.102 262 M CB -0.846 31.835 32.600 0.135 0.000 1.369 262 M HN 0.899 nan 8.290 nan 0.000 0.408 263 E N -1.525 118.772 120.200 0.162 0.000 2.086 263 E HA -0.046 4.304 4.350 0.000 0.000 0.190 263 E C 1.957 178.658 176.600 0.168 0.000 0.975 263 E CA 0.918 57.419 56.400 0.168 0.000 0.813 263 E CB -0.427 29.323 29.700 0.084 0.000 0.768 263 E HN 0.574 nan 8.360 nan 0.000 0.457 264 G N 1.544 110.420 108.800 0.127 0.000 2.432 264 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 264 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 264 G C 1.517 176.519 174.900 0.170 0.000 1.135 264 G CA 0.735 45.910 45.100 0.125 0.000 0.767 264 G HN 0.337 nan 8.290 nan 0.000 0.550 265 I N 0.362 120.980 120.570 0.079 0.000 2.454 265 I HA -0.064 4.106 4.170 0.000 0.000 0.254 265 I C 2.185 178.124 176.117 -0.297 0.000 1.156 265 I CA 1.025 62.268 61.300 -0.094 0.000 1.433 265 I CB -0.256 37.525 38.000 -0.365 0.000 1.082 265 I HN 0.271 nan 8.210 nan 0.000 0.432 266 H N -0.666 118.366 119.070 -0.063 0.000 2.535 266 H HA 0.153 4.709 4.556 0.000 0.000 0.273 266 H C 2.179 177.497 175.328 -0.016 0.000 0.983 266 H CA 0.678 56.663 56.048 -0.105 0.000 1.238 266 H CB 0.013 29.710 29.762 -0.107 0.000 1.412 266 H HN 0.247 nan 8.280 nan 0.000 0.562 267 R N -0.621 119.951 120.500 0.120 0.000 2.075 267 R HA -0.091 4.250 4.340 0.000 0.000 0.226 267 R C 1.406 177.826 176.300 0.199 0.000 1.114 267 R CA 1.062 57.250 56.100 0.146 0.000 0.972 267 R CB -0.222 30.131 30.300 0.087 0.000 0.869 267 R HN 0.370 nan 8.270 nan 0.000 0.437 268 W N 0.977 122.313 121.300 0.060 0.000 2.338 268 W HA -0.164 4.497 4.660 0.000 0.000 0.304 268 W C 2.501 179.035 176.519 0.023 0.000 1.212 268 W CA 1.304 58.678 57.345 0.048 0.000 1.264 268 W CB -0.165 29.266 29.460 -0.049 0.000 1.142 268 W HN 0.183 nan 8.180 nan 0.000 0.512 269 A N -0.127 122.781 122.820 0.147 0.000 1.873 269 A HA -0.178 4.142 4.320 0.000 0.000 0.215 269 A C 1.890 179.475 177.584 0.002 0.000 1.186 269 A CA 1.544 53.569 52.037 -0.019 0.000 0.616 269 A CB -0.951 17.902 19.000 -0.244 0.000 0.823 269 A HN 0.357 nan 8.150 nan 0.000 0.442 270 I N -2.152 118.417 120.570 -0.002 0.000 2.394 270 I HA -0.229 3.941 4.170 0.000 0.000 0.251 270 I C 2.165 178.194 176.117 -0.146 0.000 1.136 270 I CA 1.242 62.488 61.300 -0.089 0.000 1.425 270 I CB -0.073 37.849 38.000 -0.131 0.000 1.079 270 I HN 0.602 nan 8.210 nan 0.000 0.425 271 W N -0.128 121.174 121.300 0.004 0.000 2.453 271 W HA -0.159 4.501 4.660 0.000 0.000 0.289 271 W C 2.423 178.904 176.519 -0.065 0.000 1.215 271 W CA 0.661 57.981 57.345 -0.042 0.000 1.297 271 W CB -0.221 29.200 29.460 -0.064 0.000 1.113 271 W HN 0.136 nan 8.180 nan 0.000 0.551 272 M N 1.017 120.770 119.600 0.255 0.000 2.080 272 M HA -0.140 4.340 4.480 0.000 0.000 0.260 272 M C 2.057 178.441 176.300 0.140 0.000 1.068 272 M CA 2.468 57.910 55.300 0.237 0.000 1.109 272 M CB -0.855 31.897 32.600 0.254 0.000 1.342 272 M HN -0.048 nan 8.290 nan 0.000 0.405 273 A N -1.179 121.693 122.820 0.086 0.000 1.854 273 A HA -0.051 4.269 4.320 0.000 0.000 0.214 273 A C 2.176 179.777 177.584 0.029 0.000 1.192 273 A CA 1.724 53.803 52.037 0.069 0.000 0.611 273 A CB -1.248 17.778 19.000 0.043 0.000 0.832 273 A HN 0.353 nan 8.150 nan 0.000 0.442 274 V N 0.354 120.246 119.914 -0.037 0.000 2.568 274 V HA -0.242 3.878 4.120 0.000 0.000 0.253 274 V C 2.438 178.503 176.094 -0.048 0.000 1.072 274 V CA 1.847 64.103 62.300 -0.072 0.000 1.084 274 V CB -0.663 31.000 31.823 -0.266 0.000 0.676 274 V HN 0.553 nan 8.190 nan 0.000 0.469 275 L N -1.129 120.013 121.223 -0.135 0.000 2.291 275 L HA -0.088 4.252 4.340 0.000 0.000 0.214 275 L C 2.333 179.122 176.870 -0.135 0.000 1.120 275 L CA 0.456 55.090 54.840 -0.343 0.000 0.799 275 L CB -0.527 40.782 42.059 -1.250 0.000 0.925 275 L HN 0.197 nan 8.230 nan 0.000 0.446 276 V N 0.277 120.211 119.914 0.033 0.000 2.219 276 V HA -0.344 3.777 4.120 0.000 0.000 0.248 276 V C 2.691 178.886 176.094 0.168 0.000 1.053 276 V CA 2.723 65.131 62.300 0.180 0.000 1.009 276 V CB -1.028 30.891 31.823 0.160 0.000 0.636 276 V HN 0.664 nan 8.190 nan 0.000 0.445 277 T N -1.908 112.737 114.554 0.152 0.000 2.985 277 T HA -0.060 4.290 4.350 0.000 0.000 0.266 277 T C 1.824 176.703 174.700 0.298 0.000 1.076 277 T CA 1.040 63.255 62.100 0.193 0.000 1.135 277 T CB -0.252 68.725 68.868 0.182 0.000 0.890 277 T HN 0.195 nan 8.240 nan 0.000 0.480 278 L N 2.886 124.251 121.223 0.236 0.000 1.994 278 L HA -0.039 4.301 4.340 0.000 0.000 0.208 278 L C 2.872 179.917 176.870 0.291 0.000 1.071 278 L CA 2.568 57.544 54.840 0.226 0.000 0.745 278 L CB -1.303 40.794 42.059 0.062 0.000 0.892 278 L HN 0.565 nan 8.230 nan 0.000 0.431 279 T N -3.944 110.765 114.554 0.259 0.000 2.904 279 T HA -0.030 4.320 4.350 0.000 0.000 0.267 279 T C 1.955 176.834 174.700 0.297 0.000 1.059 279 T CA 0.758 63.072 62.100 0.358 0.000 1.137 279 T CB -1.307 67.861 68.868 0.500 0.000 0.879 279 T HN 0.369 nan 8.240 nan 0.000 0.467 280 G N 1.533 110.483 108.800 0.249 0.000 2.459 280 G HA2 0.038 3.998 3.960 0.000 0.000 0.217 280 G HA3 0.038 3.998 3.960 0.000 0.000 0.217 280 G C 1.761 176.725 174.900 0.106 0.000 1.183 280 G CA 0.666 45.868 45.100 0.170 0.000 0.776 280 G HN 0.645 nan 8.290 nan 0.000 0.552 281 G N 0.903 109.785 108.800 0.136 0.000 2.442 281 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 281 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 281 G C 1.771 176.657 174.900 -0.024 0.000 1.141 281 G CA 0.868 45.880 45.100 -0.146 0.000 0.763 281 G HN 0.463 nan 8.290 nan 0.000 0.554 282 I N 1.054 121.742 120.570 0.197 0.000 2.252 282 I HA -0.046 4.124 4.170 0.000 0.000 0.245 282 I C 3.072 179.066 176.117 -0.206 0.000 1.102 282 I CA 0.903 62.170 61.300 -0.055 0.000 1.385 282 I CB -0.439 37.271 38.000 -0.483 0.000 1.064 282 I HN 0.243 nan 8.210 nan 0.000 0.414 283 G N 1.372 110.098 108.800 -0.123 0.000 2.422 283 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 283 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 283 G C 1.572 176.513 174.900 0.068 0.000 1.146 283 G CA 0.459 45.560 45.100 0.001 0.000 0.769 283 G HN 0.185 nan 8.290 nan 0.000 0.547 284 I N 0.250 120.840 120.570 0.033 0.000 2.406 284 I HA 0.030 4.200 4.170 0.000 0.000 0.249 284 I C 2.531 178.701 176.117 0.090 0.000 1.122 284 I CA 0.454 61.788 61.300 0.057 0.000 1.431 284 I CB -0.962 36.982 38.000 -0.093 0.000 1.087 284 I HN 0.126 nan 8.210 nan 0.000 0.424 285 L N 0.948 122.170 121.223 -0.002 0.000 2.083 285 L HA -0.112 4.228 4.340 0.000 0.000 0.209 285 L C 2.235 179.146 176.870 0.069 0.000 1.083 285 L CA 1.734 56.576 54.840 0.002 0.000 0.752 285 L CB -0.558 41.476 42.059 -0.040 0.000 0.899 285 L HN 0.121 nan 8.230 nan 0.000 0.433 286 L N -1.309 119.980 121.223 0.110 0.000 2.395 286 L HA -0.002 4.338 4.340 0.000 0.000 0.218 286 L C 0.925 177.888 176.870 0.155 0.000 1.130 286 L CA -0.013 54.913 54.840 0.144 0.000 0.826 286 L CB -0.413 41.785 42.059 0.232 0.000 0.941 286 L HN 0.037 nan 8.230 nan 0.000 0.451 287 S N 0.458 116.295 115.700 0.229 0.000 2.443 287 S HA 0.356 4.826 4.470 0.000 0.000 0.284 287 S C 1.100 175.700 174.600 -0.001 0.000 1.206 287 S CA 0.507 58.774 58.200 0.112 0.000 1.074 287 S CB 0.682 63.924 63.200 0.070 0.000 0.963 287 S HN 0.569 nan 8.310 nan 0.000 0.501 288 G N 2.995 111.829 108.800 0.057 0.000 2.217 288 G HA2 -0.330 3.630 3.960 0.000 0.000 0.246 288 G HA3 -0.330 3.630 3.960 0.000 0.000 0.246 288 G C 0.889 175.792 174.900 0.005 0.000 0.990 288 G CA 0.749 45.899 45.100 0.083 0.000 0.627 288 G HN 0.816 nan 8.290 nan 0.000 0.522 289 T N -3.254 111.299 114.554 -0.001 0.000 3.038 289 T HA 0.469 4.819 4.350 0.000 0.000 0.244 289 T C 1.948 176.633 174.700 -0.025 0.000 1.016 289 T CA 1.650 63.745 62.100 -0.009 0.000 1.098 289 T CB 0.425 69.299 68.868 0.010 0.000 0.954 289 T HN 0.598 nan 8.240 nan 0.000 0.469 290 V N 0.268 120.155 119.914 -0.044 0.000 3.371 290 V HA 0.416 4.536 4.120 0.000 0.000 0.246 290 V C 0.138 176.150 176.094 -0.137 0.000 1.303 290 V CA -0.071 62.197 62.300 -0.053 0.000 1.156 290 V CB 1.318 33.134 31.823 -0.012 0.000 0.929 290 V HN 0.312 nan 8.190 nan 0.000 0.459 291 V N 0.944 120.688 119.914 -0.284 0.000 2.483 291 V HA 0.420 4.540 4.120 0.000 0.000 0.297 291 V C 0.254 176.079 176.094 -0.448 0.000 1.027 291 V CA -0.374 61.608 62.300 -0.530 0.000 0.855 291 V CB 1.760 32.772 31.823 -1.353 0.000 0.995 291 V HN 0.245 nan 8.190 nan 0.000 0.424 292 D N 2.395 122.611 120.400 -0.306 0.000 2.240 292 D HA 0.033 4.673 4.640 0.000 0.000 0.206 292 D C 0.577 176.725 176.300 -0.253 0.000 0.963 292 D CA 0.996 54.859 54.000 -0.229 0.000 0.863 292 D CB 0.491 41.188 40.800 -0.171 0.000 0.973 292 D HN 0.513 nan 8.370 nan 0.000 0.501 293 N N -0.465 118.074 118.700 -0.269 0.000 2.533 293 N HA 0.000 4.740 4.740 0.000 0.000 0.289 293 N C -0.062 175.383 175.510 -0.108 0.000 1.103 293 N CA -0.410 52.560 53.050 -0.133 0.000 0.877 293 N CB 0.614 39.085 38.487 -0.026 0.000 1.419 293 N HN -0.110 nan 8.380 nan 0.000 0.517 294 W N 2.062 123.466 121.300 0.174 0.000 2.402 294 W HA -0.126 4.534 4.660 0.000 0.000 0.286 294 W C 1.811 178.489 176.519 0.265 0.000 1.221 294 W CA 0.522 58.010 57.345 0.239 0.000 1.257 294 W CB -0.245 29.357 29.460 0.236 0.000 1.120 294 W HN 0.683 nan 8.180 nan 0.000 0.551 295 Y N 0.801 121.208 120.300 0.179 0.000 2.097 295 Y HA -0.303 4.247 4.550 0.000 0.000 0.282 295 Y C 2.251 178.100 175.900 -0.085 0.000 1.152 295 Y CA 2.135 60.063 58.100 -0.288 0.000 1.136 295 Y CB -0.986 37.248 38.460 -0.378 0.000 0.975 295 Y HN -0.222 nan 8.280 nan 0.000 0.498 296 V N -0.347 119.538 119.914 -0.049 0.000 2.255 296 V HA -0.343 3.777 4.120 0.000 0.000 0.247 296 V C 2.143 178.199 176.094 -0.064 0.000 1.051 296 V CA 2.215 64.443 62.300 -0.121 0.000 1.018 296 V CB -1.190 30.634 31.823 0.002 0.000 0.641 296 V HN 0.744 nan 8.190 nan 0.000 0.445 297 W N 1.231 122.460 121.300 -0.118 0.000 2.363 297 W HA -0.101 4.559 4.660 0.000 0.000 0.296 297 W C 2.291 178.820 176.519 0.016 0.000 1.212 297 W CA 1.751 59.063 57.345 -0.055 0.000 1.260 297 W CB -0.595 28.816 29.460 -0.081 0.000 1.131 297 W HN 0.251 nan 8.180 nan 0.000 0.530 298 G N -0.257 108.733 108.800 0.317 0.000 2.432 298 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 298 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 298 G C 1.406 176.231 174.900 -0.125 0.000 1.135 298 G CA 0.849 46.046 45.100 0.163 0.000 0.767 298 G HN 0.250 nan 8.290 nan 0.000 0.550 299 Q N 0.460 120.098 119.800 -0.269 0.000 2.224 299 Q HA -0.039 4.301 4.340 0.000 0.000 0.203 299 Q C 1.463 177.334 176.000 -0.215 0.000 0.970 299 Q CA 0.949 56.580 55.803 -0.287 0.000 0.865 299 Q CB -0.259 28.248 28.738 -0.385 0.000 0.922 299 Q HN 0.613 nan 8.270 nan 0.000 0.445 300 N N 0.009 118.556 118.700 -0.254 0.000 2.268 300 N HA -0.011 4.729 4.740 0.000 0.000 0.204 300 N C 0.042 175.381 175.510 -0.285 0.000 1.124 300 N CA -0.030 52.871 53.050 -0.247 0.000 0.838 300 N CB 0.431 38.771 38.487 -0.246 0.000 0.994 300 N HN 0.153 nan 8.380 nan 0.000 0.489 301 H N 0.000 118.813 119.070 -0.429 0.000 2.539 301 H HA 0.000 4.556 4.556 0.000 0.000 0.296 301 H CA 0.000 55.794 56.048 -0.423 0.000 1.023 301 H CB 0.000 29.245 29.762 -0.861 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496