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 2vpx_1_G DATA FIRST_RESID 1 DATA SEQUENCE AEFYGLPNAQ EFWHWTNALH FVLVGLAGGV ALLAALLHLK GDAEARRYTL DATA SEQUENCE YALMLIALDL FILWAESPAR FRFTHIWLFL SFHPTSPIWW GAWGLGLGFL DATA SEQUENCE TGGLLYLGKG SQRALAWALL VFSLVALSYP GLALAVNLNR PLWNGLMAGL DATA SEQUENCE FPLTALVLAL GLAALLKSPW ALFPLRVLAG ASLLLALLYP LTLPPEARGH DATA SEQUENCE LLEEAGFWYG LFLLLGLGTF WQERLAPWAG LLAAAGLRAL LVLAGQWQGL DATA SEQUENCE G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.311 177.584 -0.454 0.000 1.274 1 A CA 0.000 51.858 52.037 -0.298 0.000 0.836 1 A CB 0.000 18.907 19.000 -0.154 0.000 0.831 2 E N -0.563 119.273 120.200 -0.607 0.000 2.227 2 E HA 0.707 5.057 4.350 0.000 0.000 0.268 2 E C -1.659 174.409 176.600 -0.886 0.000 0.907 2 E CA -0.312 55.764 56.400 -0.540 0.000 0.786 2 E CB 1.790 31.286 29.700 -0.341 0.000 1.191 2 E HN 0.289 nan 8.360 nan 0.000 0.411 3 F N 0.265 120.073 119.950 -0.236 0.000 2.611 3 F HA 0.428 4.955 4.527 -0.000 0.000 0.324 3 F C -0.595 174.966 175.800 -0.399 0.000 1.061 3 F CA -0.878 56.981 58.000 -0.234 0.000 0.954 3 F CB 1.406 40.346 39.000 -0.099 0.000 1.301 3 F HN 0.320 nan 8.300 nan 0.000 0.482 4 Y N 0.823 121.250 120.300 0.210 0.000 2.326 4 Y HA 0.547 5.097 4.550 0.000 0.000 0.331 4 Y C 0.592 176.569 175.900 0.128 0.000 0.962 4 Y CA -0.256 57.916 58.100 0.120 0.000 1.167 4 Y CB 1.438 39.939 38.460 0.068 0.000 1.148 4 Y HN 0.895 nan 8.280 nan 0.000 0.463 5 G N 2.432 111.368 108.800 0.226 0.000 2.568 5 G HA2 -0.158 3.802 3.960 0.000 0.000 0.222 5 G HA3 -0.158 3.802 3.960 0.000 0.000 0.222 5 G C -1.702 173.229 174.900 0.052 0.000 1.321 5 G CA -0.744 44.429 45.100 0.121 0.000 0.893 5 G HN 0.633 nan 8.290 nan 0.000 0.569 6 L N 0.448 121.640 121.223 -0.051 0.000 2.556 6 L HA 0.493 4.833 4.340 0.000 0.000 0.257 6 L C -2.137 174.580 176.870 -0.256 0.000 0.955 6 L CA -1.671 53.015 54.840 -0.257 0.000 0.850 6 L CB 2.524 44.452 42.059 -0.218 0.000 1.398 6 L HN 0.693 nan 8.230 nan 0.000 0.412 7 P HA 0.159 nan 4.420 nan 0.000 0.275 7 P C -1.007 176.185 177.300 -0.181 0.000 1.228 7 P CA -0.413 62.539 63.100 -0.248 0.000 0.786 7 P CB 0.534 32.060 31.700 -0.290 0.000 0.927 8 N N 0.848 119.483 118.700 -0.110 0.000 3.103 8 N HA 0.251 4.991 4.740 0.000 0.000 0.305 8 N C 0.640 176.118 175.510 -0.054 0.000 1.232 8 N CA -0.176 52.832 53.050 -0.070 0.000 1.190 8 N CB -0.236 38.219 38.487 -0.052 0.000 1.461 8 N HN 0.403 nan 8.380 nan 0.000 0.538 9 A N 0.999 123.779 122.820 -0.067 0.000 2.507 9 A HA 0.085 4.405 4.320 0.000 0.000 0.270 9 A C 0.248 177.838 177.584 0.010 0.000 1.318 9 A CA -0.423 51.594 52.037 -0.034 0.000 0.924 9 A CB 0.038 18.997 19.000 -0.069 0.000 1.061 9 A HN 0.428 nan 8.150 nan 0.000 0.516 10 Q N 0.670 120.484 119.800 0.023 0.000 2.340 10 Q HA 0.331 4.671 4.340 0.000 0.000 0.249 10 Q C 0.132 176.157 176.000 0.042 0.000 0.957 10 Q CA -0.314 55.514 55.803 0.042 0.000 0.882 10 Q CB 0.534 29.305 28.738 0.055 0.000 1.235 10 Q HN 0.516 nan 8.270 nan 0.000 0.439 11 E N 1.259 121.453 120.200 -0.009 0.000 2.568 11 E HA -0.124 4.226 4.350 0.000 0.000 0.262 11 E C -0.631 175.819 176.600 -0.250 0.000 0.961 11 E CA 0.073 56.356 56.400 -0.196 0.000 0.945 11 E CB 0.336 29.997 29.700 -0.065 0.000 0.924 11 E HN 0.702 nan 8.360 nan 0.000 0.467 12 F N 2.548 122.327 119.950 -0.284 0.000 2.712 12 F HA 0.394 4.921 4.527 0.000 0.000 0.297 12 F C -0.131 175.401 175.800 -0.447 0.000 1.114 12 F CA -0.972 56.799 58.000 -0.382 0.000 1.305 12 F CB 0.299 39.045 39.000 -0.424 0.000 1.086 12 F HN 0.181 nan 8.300 nan 0.000 0.599 13 W N 3.929 124.878 121.300 -0.584 0.000 2.424 13 W HA 0.396 5.056 4.660 0.000 0.000 0.318 13 W C -0.125 176.126 176.519 -0.446 0.000 1.016 13 W CA -1.517 55.625 57.345 -0.339 0.000 1.268 13 W CB 0.068 29.500 29.460 -0.048 0.000 1.297 13 W HN 0.001 nan 8.180 nan 0.000 0.428 14 H N 1.982 121.139 119.070 0.145 0.000 2.437 14 H HA 0.040 4.596 4.556 0.000 0.000 0.338 14 H C 1.702 177.037 175.328 0.012 0.000 1.495 14 H CA -0.276 55.800 56.048 0.048 0.000 1.453 14 H CB 0.460 30.201 29.762 -0.035 0.000 1.707 14 H HN 0.630 nan 8.280 nan 0.000 0.655 15 W N 0.648 122.078 121.300 0.217 0.000 2.336 15 W HA -0.182 4.478 4.660 0.000 0.000 0.277 15 W C 0.157 176.752 176.519 0.126 0.000 1.211 15 W CA 1.545 58.965 57.345 0.125 0.000 1.187 15 W CB -1.387 28.121 29.460 0.080 0.000 1.132 15 W HN 0.261 nan 8.180 nan 0.000 0.562 16 T N 0.834 114.835 114.554 -0.921 0.000 3.043 16 T HA -0.111 4.239 4.350 0.000 0.000 0.263 16 T C 1.262 175.805 174.700 -0.260 0.000 1.094 16 T CA 1.354 62.887 62.100 -0.946 0.000 1.127 16 T CB -0.369 67.865 68.868 -1.057 0.000 0.905 16 T HN 0.269 nan 8.240 nan 0.000 0.490 17 N N 0.101 118.743 118.700 -0.097 0.000 2.280 17 N HA 0.287 5.027 4.740 0.000 0.000 0.192 17 N C 1.523 177.153 175.510 0.200 0.000 1.109 17 N CA 0.142 53.228 53.050 0.060 0.000 0.855 17 N CB 0.129 38.623 38.487 0.013 0.000 0.974 17 N HN 0.314 nan 8.380 nan 0.000 0.482 18 A N -0.267 122.637 122.820 0.140 0.000 2.140 18 A HA 0.167 4.487 4.320 0.000 0.000 0.209 18 A C 1.778 179.483 177.584 0.201 0.000 1.181 18 A CA -0.013 52.114 52.037 0.151 0.000 0.824 18 A CB -0.111 18.971 19.000 0.137 0.000 0.879 18 A HN 0.316 nan 8.150 nan 0.000 0.480 19 L N -0.966 120.367 121.223 0.184 0.000 2.131 19 L HA -0.079 4.261 4.340 0.000 0.000 0.206 19 L C 2.491 179.456 176.870 0.157 0.000 1.087 19 L CA 1.917 56.869 54.840 0.186 0.000 0.767 19 L CB -0.261 41.931 42.059 0.222 0.000 0.917 19 L HN 0.680 nan 8.230 nan 0.000 0.441 20 H N -1.023 118.087 119.070 0.066 0.000 2.389 20 H HA -0.201 4.355 4.556 0.000 0.000 0.299 20 H C 1.808 177.136 175.328 -0.001 0.000 1.081 20 H CA 1.847 57.904 56.048 0.015 0.000 1.345 20 H CB -0.306 29.430 29.762 -0.043 0.000 1.393 20 H HN 0.305 nan 8.280 nan 0.000 0.520 21 F N -0.100 119.695 119.950 -0.259 0.000 2.161 21 F HA -0.174 4.354 4.527 -0.000 0.000 0.300 21 F C 2.522 178.203 175.800 -0.198 0.000 1.089 21 F CA 1.345 59.174 58.000 -0.286 0.000 1.282 21 F CB -0.406 38.548 39.000 -0.076 0.000 1.010 21 F HN 0.107 nan 8.300 nan 0.000 0.485 22 V N -0.818 119.125 119.914 0.048 0.000 2.379 22 V HA -0.244 3.876 4.120 0.000 0.000 0.245 22 V C 2.205 178.265 176.094 -0.056 0.000 1.044 22 V CA 1.199 63.494 62.300 -0.009 0.000 1.036 22 V CB -0.549 31.280 31.823 0.011 0.000 0.664 22 V HN 0.169 nan 8.190 nan 0.000 0.453 23 L N -0.406 120.783 121.223 -0.056 0.000 2.141 23 L HA -0.038 4.302 4.340 0.000 0.000 0.209 23 L C 2.287 179.107 176.870 -0.082 0.000 1.094 23 L CA 1.419 56.237 54.840 -0.037 0.000 0.763 23 L CB -0.567 41.511 42.059 0.032 0.000 0.908 23 L HN 0.206 nan 8.230 nan 0.000 0.437 24 V N -0.831 118.940 119.914 -0.237 0.000 3.217 24 V HA 0.011 4.131 4.120 0.000 0.000 0.264 24 V C 2.108 178.118 176.094 -0.139 0.000 1.135 24 V CA 1.172 63.350 62.300 -0.204 0.000 1.142 24 V CB -0.167 31.409 31.823 -0.411 0.000 0.754 24 V HN 0.495 nan 8.190 nan 0.000 0.484 25 G N -0.305 108.414 108.800 -0.135 0.000 2.424 25 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 25 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 25 G C 1.450 176.326 174.900 -0.040 0.000 1.202 25 G CA 0.938 45.989 45.100 -0.082 0.000 0.793 25 G HN 0.446 nan 8.290 nan 0.000 0.534 26 L N 0.818 122.021 121.223 -0.034 0.000 1.971 26 L HA -0.177 4.163 4.340 0.000 0.000 0.215 26 L C 3.475 180.363 176.870 0.031 0.000 1.072 26 L CA 1.460 56.298 54.840 -0.003 0.000 0.758 26 L CB -0.451 41.605 42.059 -0.006 0.000 0.889 26 L HN 0.320 nan 8.230 nan 0.000 0.433 27 A N -0.216 122.625 122.820 0.035 0.000 1.927 27 A HA -0.233 4.087 4.320 0.000 0.000 0.220 27 A C 2.279 179.914 177.584 0.086 0.000 1.185 27 A CA 2.169 54.250 52.037 0.073 0.000 0.639 27 A CB -1.322 17.727 19.000 0.082 0.000 0.820 27 A HN 0.550 nan 8.150 nan 0.000 0.451 28 G N -1.404 107.436 108.800 0.066 0.000 2.430 28 G HA2 0.183 4.143 3.960 0.000 0.000 0.216 28 G HA3 0.183 4.143 3.960 0.000 0.000 0.216 28 G C 1.449 176.386 174.900 0.062 0.000 1.146 28 G CA 1.109 46.258 45.100 0.081 0.000 0.793 28 G HN 0.710 nan 8.290 nan 0.000 0.537 29 G N 0.497 109.322 108.800 0.042 0.000 2.402 29 G HA2 -0.094 3.866 3.960 0.000 0.000 0.216 29 G HA3 -0.094 3.866 3.960 0.000 0.000 0.216 29 G C 1.712 176.644 174.900 0.054 0.000 1.162 29 G CA 1.131 46.250 45.100 0.033 0.000 0.777 29 G HN 0.276 nan 8.290 nan 0.000 0.539 30 V N 1.463 121.433 119.914 0.092 0.000 2.379 30 V HA -0.045 4.075 4.120 0.000 0.000 0.245 30 V C 3.299 179.468 176.094 0.125 0.000 1.044 30 V CA 1.791 64.187 62.300 0.160 0.000 1.036 30 V CB -0.611 31.338 31.823 0.211 0.000 0.664 30 V HN 0.444 nan 8.190 nan 0.000 0.453 31 A N -0.289 122.589 122.820 0.096 0.000 2.024 31 A HA -0.209 4.111 4.320 0.000 0.000 0.220 31 A C 2.138 179.732 177.584 0.016 0.000 1.164 31 A CA 2.067 54.142 52.037 0.065 0.000 0.643 31 A CB -0.476 18.578 19.000 0.090 0.000 0.806 31 A HN 0.474 nan 8.150 nan 0.000 0.451 32 L N -0.434 120.796 121.223 0.012 0.000 2.072 32 L HA -0.012 4.328 4.340 0.000 0.000 0.205 32 L C 2.261 179.072 176.870 -0.098 0.000 1.079 32 L CA 1.389 56.206 54.840 -0.038 0.000 0.752 32 L CB -0.397 41.646 42.059 -0.027 0.000 0.906 32 L HN 0.390 nan 8.230 nan 0.000 0.436 33 L N -0.394 120.778 121.223 -0.086 0.000 1.990 33 L HA -0.272 4.068 4.340 0.000 0.000 0.213 33 L C 2.746 179.501 176.870 -0.191 0.000 1.072 33 L CA 1.497 56.220 54.840 -0.195 0.000 0.755 33 L CB -1.208 40.772 42.059 -0.132 0.000 0.889 33 L HN 0.415 nan 8.230 nan 0.000 0.432 34 A N 0.143 122.928 122.820 -0.058 0.000 1.869 34 A HA -0.302 4.018 4.320 0.000 0.000 0.218 34 A C 2.515 179.971 177.584 -0.214 0.000 1.203 34 A CA 2.510 54.506 52.037 -0.068 0.000 0.638 34 A CB -0.973 17.995 19.000 -0.054 0.000 0.831 34 A HN 0.470 nan 8.150 nan 0.000 0.450 35 A N -0.608 122.076 122.820 -0.227 0.000 1.877 35 A HA -0.021 4.299 4.320 0.000 0.000 0.216 35 A C 2.212 179.656 177.584 -0.233 0.000 1.186 35 A CA 1.524 53.407 52.037 -0.257 0.000 0.620 35 A CB -0.668 18.201 19.000 -0.219 0.000 0.822 35 A HN 0.494 nan 8.150 nan 0.000 0.443 36 L N -0.649 120.428 121.223 -0.242 0.000 2.042 36 L HA -0.202 4.138 4.340 0.000 0.000 0.210 36 L C 2.532 179.259 176.870 -0.238 0.000 1.076 36 L CA 1.169 55.847 54.840 -0.269 0.000 0.749 36 L CB -0.608 41.282 42.059 -0.281 0.000 0.893 36 L HN 0.373 nan 8.230 nan 0.000 0.432 37 L N -1.529 119.561 121.223 -0.222 0.000 2.191 37 L HA -0.219 4.121 4.340 0.000 0.000 0.212 37 L C 2.486 179.357 176.870 0.002 0.000 1.103 37 L CA 0.938 55.687 54.840 -0.152 0.000 0.769 37 L CB -0.655 41.350 42.059 -0.091 0.000 0.908 37 L HN 0.353 nan 8.230 nan 0.000 0.438 38 H N -0.718 118.264 119.070 -0.148 0.000 2.300 38 H HA -0.170 4.386 4.556 0.000 0.000 0.302 38 H C 2.157 177.387 175.328 -0.164 0.000 1.049 38 H CA 1.024 56.995 56.048 -0.128 0.000 1.254 38 H CB 0.056 29.735 29.762 -0.138 0.000 1.396 38 H HN 0.037 nan 8.280 nan 0.000 0.518 39 L N 1.210 122.374 121.223 -0.099 0.000 2.186 39 L HA -0.293 4.047 4.340 0.000 0.000 0.221 39 L C 2.224 179.015 176.870 -0.131 0.000 1.087 39 L CA 1.913 56.619 54.840 -0.223 0.000 0.794 39 L CB -0.768 41.026 42.059 -0.441 0.000 0.893 39 L HN 0.335 nan 8.230 nan 0.000 0.442 40 K N -1.157 119.169 120.400 -0.124 0.000 2.418 40 K HA 0.110 4.430 4.320 0.000 0.000 0.195 40 K C 1.407 177.967 176.600 -0.067 0.000 1.035 40 K CA 0.912 57.142 56.287 -0.096 0.000 1.003 40 K CB 0.022 32.441 32.500 -0.135 0.000 0.793 40 K HN 0.333 nan 8.250 nan 0.000 0.494 41 G N 0.734 109.492 108.800 -0.070 0.000 2.199 41 G HA2 -0.298 3.662 3.960 0.000 0.000 0.254 41 G HA3 -0.298 3.662 3.960 0.000 0.000 0.254 41 G C -0.219 174.656 174.900 -0.041 0.000 0.982 41 G CA 0.292 45.355 45.100 -0.063 0.000 0.632 41 G HN 0.564 nan 8.290 nan 0.000 0.529 42 D N 0.866 121.251 120.400 -0.025 0.000 2.583 42 D HA 0.277 4.917 4.640 0.000 0.000 0.232 42 D C 1.844 178.173 176.300 0.049 0.000 1.128 42 D CA 0.727 54.740 54.000 0.021 0.000 0.859 42 D CB 0.781 41.597 40.800 0.027 0.000 1.169 42 D HN 0.532 nan 8.370 nan 0.000 0.481 43 A N 4.677 127.534 122.820 0.063 0.000 1.997 43 A HA -0.228 4.092 4.320 0.000 0.000 0.221 43 A C 1.744 179.391 177.584 0.105 0.000 1.172 43 A CA 1.472 53.547 52.037 0.063 0.000 0.645 43 A CB -0.231 18.808 19.000 0.065 0.000 0.813 43 A HN 0.766 nan 8.150 nan 0.000 0.454 44 E N -0.340 119.969 120.200 0.181 0.000 2.481 44 E HA 0.154 4.504 4.350 0.000 0.000 0.195 44 E C 1.915 178.698 176.600 0.306 0.000 1.047 44 E CA 0.360 56.927 56.400 0.278 0.000 0.867 44 E CB -0.204 29.772 29.700 0.459 0.000 0.858 44 E HN 0.634 nan 8.360 nan 0.000 0.513 45 A N 1.677 124.636 122.820 0.231 0.000 2.139 45 A HA -0.210 4.110 4.320 0.000 0.000 0.221 45 A C 2.026 179.806 177.584 0.327 0.000 1.159 45 A CA 1.168 53.391 52.037 0.311 0.000 0.662 45 A CB -0.216 18.983 19.000 0.332 0.000 0.796 45 A HN 0.075 nan 8.150 nan 0.000 0.463 46 R N -1.552 119.073 120.500 0.210 0.000 2.123 46 R HA 0.091 4.431 4.340 0.000 0.000 0.209 46 R C 2.355 178.707 176.300 0.086 0.000 1.078 46 R CA 0.685 56.894 56.100 0.182 0.000 1.028 46 R CB -0.375 29.972 30.300 0.079 0.000 0.939 46 R HN 0.598 nan 8.270 nan 0.000 0.463 47 R N 0.272 120.757 120.500 -0.024 0.000 2.080 47 R HA -0.168 4.172 4.340 0.000 0.000 0.236 47 R C 1.789 177.634 176.300 -0.758 0.000 1.137 47 R CA 1.789 57.679 56.100 -0.349 0.000 0.943 47 R CB -0.278 29.902 30.300 -0.201 0.000 0.846 47 R HN 0.168 nan 8.270 nan 0.000 0.431 48 Y N 0.010 120.168 120.300 -0.238 0.000 2.439 48 Y HA -0.089 4.461 4.550 -0.000 0.000 0.292 48 Y C 2.461 178.310 175.900 -0.085 0.000 1.130 48 Y CA 1.521 59.574 58.100 -0.079 0.000 1.254 48 Y CB 0.037 38.590 38.460 0.156 0.000 1.000 48 Y HN 0.152 nan 8.280 nan 0.000 0.554 49 T N 0.052 114.619 114.554 0.022 0.000 2.896 49 T HA -0.067 4.283 4.350 0.000 0.000 0.263 49 T C 0.640 175.262 174.700 -0.129 0.000 1.050 49 T CA 0.526 62.610 62.100 -0.028 0.000 1.140 49 T CB -0.302 68.576 68.868 0.015 0.000 0.877 49 T HN 0.082 nan 8.240 nan 0.000 0.457 50 L N 1.363 122.432 121.223 -0.257 0.000 2.315 50 L HA 0.350 4.690 4.340 0.000 0.000 0.278 50 L C -0.425 176.235 176.870 -0.350 0.000 1.088 50 L CA -0.113 54.465 54.840 -0.436 0.000 0.899 50 L CB -0.087 41.518 42.059 -0.756 0.000 1.277 50 L HN 0.310 nan 8.230 nan 0.000 0.431 51 Y N 1.677 121.908 120.300 -0.115 0.000 2.851 51 Y HA -0.082 4.468 4.550 -0.000 0.000 0.240 51 Y C 1.927 177.815 175.900 -0.020 0.000 0.956 51 Y CA -0.061 57.992 58.100 -0.078 0.000 1.410 51 Y CB -0.280 38.124 38.460 -0.094 0.000 1.348 51 Y HN 0.463 nan 8.280 nan 0.000 0.453 52 A N 1.012 123.955 122.820 0.205 0.000 1.978 52 A HA -0.156 4.164 4.320 0.000 0.000 0.220 52 A C 1.748 179.408 177.584 0.126 0.000 1.170 52 A CA 1.763 53.887 52.037 0.146 0.000 0.636 52 A CB -0.771 18.296 19.000 0.111 0.000 0.810 52 A HN 0.464 nan 8.150 nan 0.000 0.448 53 L N -1.924 119.334 121.223 0.059 0.000 2.240 53 L HA -0.076 4.264 4.340 0.000 0.000 0.211 53 L C 2.681 179.719 176.870 0.280 0.000 1.106 53 L CA 0.938 55.844 54.840 0.111 0.000 0.793 53 L CB -0.345 41.585 42.059 -0.216 0.000 0.927 53 L HN 0.402 nan 8.230 nan 0.000 0.446 54 M N -0.750 118.934 119.600 0.139 0.000 2.160 54 M HA -0.114 4.366 4.480 0.000 0.000 0.264 54 M C 2.194 178.554 176.300 0.100 0.000 1.073 54 M CA 1.537 56.901 55.300 0.107 0.000 1.142 54 M CB -0.175 32.468 32.600 0.071 0.000 1.358 54 M HN 0.111 nan 8.290 nan 0.000 0.422 55 L N -0.064 121.222 121.223 0.105 0.000 2.042 55 L HA -0.227 4.113 4.340 0.000 0.000 0.210 55 L C 2.352 179.285 176.870 0.104 0.000 1.076 55 L CA 1.303 56.196 54.840 0.088 0.000 0.749 55 L CB -0.652 41.457 42.059 0.084 0.000 0.893 55 L HN 0.312 nan 8.230 nan 0.000 0.432 56 I N -0.178 120.477 120.570 0.143 0.000 2.179 56 I HA -0.290 3.880 4.170 0.000 0.000 0.242 56 I C 2.794 178.944 176.117 0.056 0.000 1.088 56 I CA 1.279 62.665 61.300 0.142 0.000 1.357 56 I CB -0.436 37.717 38.000 0.254 0.000 1.051 56 I HN 0.203 nan 8.210 nan 0.000 0.409 57 A N 0.516 123.354 122.820 0.031 0.000 1.933 57 A HA -0.205 4.115 4.320 0.000 0.000 0.218 57 A C 2.218 179.799 177.584 -0.004 0.000 1.175 57 A CA 1.379 53.345 52.037 -0.118 0.000 0.628 57 A CB -0.715 18.211 19.000 -0.122 0.000 0.814 57 A HN 0.395 nan 8.150 nan 0.000 0.444 58 L N 0.478 121.733 121.223 0.053 0.000 2.046 58 L HA -0.147 4.193 4.340 0.000 0.000 0.208 58 L C 1.859 178.843 176.870 0.189 0.000 1.077 58 L CA 2.830 57.734 54.840 0.108 0.000 0.747 58 L CB -0.922 41.189 42.059 0.087 0.000 0.896 58 L HN 0.488 nan 8.230 nan 0.000 0.432 59 D N -0.773 119.717 120.400 0.150 0.000 2.097 59 D HA -0.213 4.427 4.640 0.000 0.000 0.195 59 D C 2.162 178.555 176.300 0.155 0.000 0.989 59 D CA 1.559 55.678 54.000 0.199 0.000 0.827 59 D CB -0.188 40.733 40.800 0.200 0.000 0.966 59 D HN 0.425 nan 8.370 nan 0.000 0.456 60 L N -0.453 120.819 121.223 0.082 0.000 2.353 60 L HA -0.055 4.285 4.340 0.000 0.000 0.220 60 L C 1.942 178.843 176.870 0.051 0.000 1.133 60 L CA 0.364 55.209 54.840 0.008 0.000 0.798 60 L CB -0.351 41.650 42.059 -0.096 0.000 0.922 60 L HN 0.149 nan 8.230 nan 0.000 0.445 61 F N 0.329 120.260 119.950 -0.032 0.000 2.220 61 F HA -0.022 4.505 4.527 0.000 0.000 0.290 61 F C 2.200 178.096 175.800 0.161 0.000 1.080 61 F CA 1.018 59.041 58.000 0.037 0.000 1.318 61 F CB -0.051 38.949 39.000 0.000 0.000 1.063 61 F HN -0.165 nan 8.300 nan 0.000 0.498 62 I N 0.440 121.077 120.570 0.112 0.000 2.335 62 I HA -0.311 3.859 4.170 0.000 0.000 0.251 62 I C 2.280 178.307 176.117 -0.150 0.000 1.129 62 I CA 1.181 62.463 61.300 -0.030 0.000 1.402 62 I CB -0.465 37.605 38.000 0.118 0.000 1.069 62 I HN 0.263 nan 8.210 nan 0.000 0.424 63 L N -0.844 120.291 121.223 -0.147 0.000 2.141 63 L HA -0.205 4.135 4.340 0.000 0.000 0.209 63 L C 2.349 179.127 176.870 -0.153 0.000 1.094 63 L CA 1.457 56.139 54.840 -0.264 0.000 0.763 63 L CB -0.386 41.513 42.059 -0.266 0.000 0.908 63 L HN 0.506 nan 8.230 nan 0.000 0.437 64 W N -0.192 120.871 121.300 -0.394 0.000 2.588 64 W HA 0.099 4.759 4.660 -0.000 0.000 0.277 64 W C 2.323 178.566 176.519 -0.460 0.000 1.221 64 W CA 0.748 57.807 57.345 -0.477 0.000 1.355 64 W CB -0.028 29.113 29.460 -0.532 0.000 1.083 64 W HN -0.011 nan 8.180 nan 0.000 0.581 65 A N 1.144 123.652 122.820 -0.520 0.000 1.908 65 A HA -0.283 4.037 4.320 0.000 0.000 0.218 65 A C 2.008 179.191 177.584 -0.669 0.000 1.181 65 A CA 2.034 53.546 52.037 -0.875 0.000 0.627 65 A CB -1.089 17.490 19.000 -0.701 0.000 0.818 65 A HN 0.532 nan 8.150 nan 0.000 0.445 66 E N 0.486 120.420 120.200 -0.444 0.000 2.481 66 E HA -0.002 4.348 4.350 0.000 0.000 0.195 66 E C 0.422 176.852 176.600 -0.283 0.000 1.047 66 E CA 0.645 56.844 56.400 -0.335 0.000 0.867 66 E CB -0.232 29.304 29.700 -0.273 0.000 0.858 66 E HN 0.366 nan 8.360 nan 0.000 0.513 67 S N 1.688 117.186 115.700 -0.336 0.000 2.474 67 S HA 0.226 4.696 4.470 0.000 0.000 0.276 67 S C -1.931 172.496 174.600 -0.289 0.000 1.227 67 S CA -1.458 56.615 58.200 -0.212 0.000 1.050 67 S CB 1.395 64.561 63.200 -0.058 0.000 0.939 67 S HN -0.076 nan 8.310 nan 0.000 0.490 68 P HA 0.089 nan 4.420 nan 0.000 0.231 68 P C 0.417 177.600 177.300 -0.195 0.000 1.158 68 P CA 0.557 63.547 63.100 -0.183 0.000 0.763 68 P CB 0.105 31.755 31.700 -0.083 0.000 0.805 69 A N -0.137 122.585 122.820 -0.163 0.000 2.423 69 A HA 0.054 4.374 4.320 0.000 0.000 0.246 69 A C 2.134 179.646 177.584 -0.120 0.000 1.278 69 A CA -0.282 51.688 52.037 -0.112 0.000 0.903 69 A CB -0.779 18.181 19.000 -0.067 0.000 0.997 69 A HN 0.119 nan 8.150 nan 0.000 0.510 70 R N -0.071 120.195 120.500 -0.390 0.000 2.082 70 R HA -0.128 4.212 4.340 0.000 0.000 0.234 70 R C 0.677 176.769 176.300 -0.346 0.000 1.136 70 R CA 1.951 57.663 56.100 -0.648 0.000 0.935 70 R CB -0.770 28.504 30.300 -1.710 0.000 0.842 70 R HN 0.427 nan 8.270 nan 0.000 0.430 71 F N 0.725 120.502 119.950 -0.288 0.000 2.695 71 F HA 0.278 4.805 4.527 -0.000 0.000 0.301 71 F C 1.809 177.085 175.800 -0.874 0.000 1.182 71 F CA -0.322 57.364 58.000 -0.522 0.000 1.412 71 F CB 0.276 39.139 39.000 -0.230 0.000 1.056 71 F HN -0.010 nan 8.300 nan 0.000 0.522 72 R N -0.405 119.778 120.500 -0.529 0.000 2.446 72 R HA 0.127 4.467 4.340 0.000 0.000 0.254 72 R C -0.113 176.051 176.300 -0.227 0.000 0.918 72 R CA -0.294 55.599 56.100 -0.344 0.000 1.069 72 R CB 0.117 30.350 30.300 -0.111 0.000 1.194 72 R HN 0.217 nan 8.270 nan 0.000 0.534 73 F N 1.557 121.672 119.950 0.276 0.000 2.489 73 F HA -0.250 4.277 4.527 -0.000 0.000 0.203 73 F C 0.879 176.853 175.800 0.290 0.000 1.030 73 F CA 0.646 58.828 58.000 0.302 0.000 0.877 73 F CB -1.641 37.494 39.000 0.226 0.000 0.855 73 F HN 0.070 nan 8.300 nan 0.000 0.832 74 T N -4.645 110.158 114.554 0.415 0.000 3.054 74 T HA 0.074 4.424 4.350 0.000 0.000 0.255 74 T C 1.067 175.988 174.700 0.367 0.000 1.035 74 T CA 0.311 62.642 62.100 0.385 0.000 0.941 74 T CB -0.096 68.894 68.868 0.204 0.000 1.026 74 T HN 0.557 nan 8.240 nan 0.000 0.533 75 H N 0.993 120.229 119.070 0.276 0.000 2.521 75 H HA 0.261 4.817 4.556 0.000 0.000 0.286 75 H C 1.930 177.368 175.328 0.183 0.000 1.034 75 H CA 0.599 56.774 56.048 0.211 0.000 1.278 75 H CB -0.379 29.499 29.762 0.193 0.000 1.386 75 H HN 0.333 nan 8.280 nan 0.000 0.567 76 I N -0.324 120.377 120.570 0.220 0.000 2.399 76 I HA -0.294 3.876 4.170 0.000 0.000 0.254 76 I C 1.125 177.214 176.117 -0.046 0.000 1.146 76 I CA 1.271 62.581 61.300 0.016 0.000 1.412 76 I CB -0.048 37.836 38.000 -0.193 0.000 1.076 76 I HN 0.298 nan 8.210 nan 0.000 0.432 77 W N -0.667 120.713 121.300 0.132 0.000 2.595 77 W HA -0.080 4.580 4.660 0.000 0.000 0.257 77 W C 2.043 178.624 176.519 0.102 0.000 1.267 77 W CA -0.243 57.177 57.345 0.124 0.000 1.300 77 W CB -0.257 29.259 29.460 0.093 0.000 1.120 77 W HN 0.137 nan 8.180 nan 0.000 0.618 78 L N -1.063 120.247 121.223 0.145 0.000 2.201 78 L HA -0.068 4.272 4.340 0.000 0.000 0.212 78 L C 1.103 177.595 176.870 -0.630 0.000 1.105 78 L CA 1.741 56.437 54.840 -0.241 0.000 0.775 78 L CB -0.647 41.098 42.059 -0.523 0.000 0.913 78 L HN -0.042 nan 8.230 nan 0.000 0.440 79 F N -1.952 117.934 119.950 -0.107 0.000 2.654 79 F HA 0.265 4.792 4.527 0.000 0.000 0.303 79 F C 0.924 176.856 175.800 0.221 0.000 1.099 79 F CA -0.043 57.798 58.000 -0.265 0.000 1.270 79 F CB 0.224 38.865 39.000 -0.597 0.000 1.024 79 F HN -0.163 nan 8.300 nan 0.000 0.548 80 L N -0.898 120.574 121.223 0.414 0.000 3.267 80 L HA 0.383 4.723 4.340 0.000 0.000 0.289 80 L C -0.253 176.908 176.870 0.484 0.000 1.260 80 L CA 0.025 55.088 54.840 0.371 0.000 1.034 80 L CB 0.011 42.128 42.059 0.097 0.000 1.413 80 L HN -0.126 nan 8.230 nan 0.000 0.594 81 S N -0.158 115.908 115.700 0.609 0.000 2.579 81 S HA 0.573 5.043 4.470 0.000 0.000 0.272 81 S C -1.407 173.479 174.600 0.476 0.000 1.141 81 S CA -0.446 58.030 58.200 0.460 0.000 0.843 81 S CB 2.660 66.200 63.200 0.567 0.000 1.122 81 S HN 0.086 nan 8.310 nan 0.000 0.468 82 F N 3.190 122.964 119.950 -0.294 0.000 2.388 82 F HA 0.517 5.044 4.527 -0.000 0.000 0.358 82 F C -0.163 174.828 175.800 -1.348 0.000 1.122 82 F CA -0.469 57.208 58.000 -0.539 0.000 1.056 82 F CB 0.545 39.322 39.000 -0.371 0.000 1.155 82 F HN 0.631 nan 8.300 nan 0.000 0.461 83 H N 7.498 125.174 119.070 -2.324 0.000 2.695 83 H HA 0.189 4.745 4.556 -0.000 0.000 0.222 83 H C -2.072 172.207 175.328 -1.748 0.000 1.412 83 H CA -1.202 53.814 56.048 -1.720 0.000 1.347 83 H CB 0.601 29.709 29.762 -1.091 0.000 1.858 83 H HN 0.438 nan 8.280 nan 0.000 0.519 84 P HA -0.151 nan 4.420 nan 0.000 0.220 84 P C 1.361 178.732 177.300 0.119 0.000 1.144 84 P CA 1.295 63.998 63.100 -0.662 0.000 0.800 84 P CB -0.093 31.227 31.700 -0.634 0.000 0.772 85 T N -4.413 110.092 114.554 -0.081 0.000 3.113 85 T HA 0.046 4.396 4.350 0.000 0.000 0.256 85 T C 1.076 175.854 174.700 0.130 0.000 1.131 85 T CA 0.008 62.139 62.100 0.052 0.000 1.074 85 T CB -0.512 68.350 68.868 -0.011 0.000 0.944 85 T HN 0.033 nan 8.240 nan 0.000 0.516 86 S N 2.271 118.079 115.700 0.180 0.000 2.434 86 S HA 0.393 4.863 4.470 0.000 0.000 0.318 86 S C -1.782 173.084 174.600 0.442 0.000 1.062 86 S CA -1.753 56.596 58.200 0.248 0.000 1.116 86 S CB 1.021 64.317 63.200 0.160 0.000 0.977 86 S HN -0.046 nan 8.310 nan 0.000 0.480 87 P HA -0.205 nan 4.420 nan 0.000 0.217 87 P C 1.452 179.004 177.300 0.420 0.000 1.162 87 P CA 1.436 64.777 63.100 0.402 0.000 0.901 87 P CB 0.020 31.898 31.700 0.296 0.000 0.793 88 I N -2.942 117.815 120.570 0.311 0.000 2.264 88 I HA -0.231 3.939 4.170 0.000 0.000 0.248 88 I C 2.335 178.444 176.117 -0.012 0.000 1.111 88 I CA 1.535 62.898 61.300 0.106 0.000 1.382 88 I CB -0.969 37.117 38.000 0.145 0.000 1.060 88 I HN 0.126 nan 8.210 nan 0.000 0.418 89 W N 1.226 122.515 121.300 -0.019 0.000 2.355 89 W HA -0.211 4.449 4.660 0.000 0.000 0.309 89 W C 2.233 178.761 176.519 0.016 0.000 1.206 89 W CA 1.194 58.520 57.345 -0.033 0.000 1.284 89 W CB -0.655 28.811 29.460 0.009 0.000 1.145 89 W HN 0.030 nan 8.180 nan 0.000 0.502 90 W N 0.184 121.665 121.300 0.301 0.000 2.387 90 W HA -0.041 4.619 4.660 -0.000 0.000 0.272 90 W C 2.485 178.913 176.519 -0.152 0.000 1.224 90 W CA 1.708 59.144 57.345 0.151 0.000 1.210 90 W CB -0.821 28.785 29.460 0.243 0.000 1.125 90 W HN 0.056 nan 8.180 nan 0.000 0.572 91 G N -1.174 107.393 108.800 -0.389 0.000 2.744 91 G HA2 0.104 4.064 3.960 0.000 0.000 0.211 91 G HA3 0.104 4.064 3.960 0.000 0.000 0.211 91 G C 1.522 176.123 174.900 -0.498 0.000 1.146 91 G CA 0.583 45.110 45.100 -0.954 0.000 0.787 91 G HN 0.231 nan 8.290 nan 0.000 0.534 92 A N 0.390 122.925 122.820 -0.475 0.000 1.874 92 A HA 0.106 4.426 4.320 0.000 0.000 0.214 92 A C 2.055 179.404 177.584 -0.391 0.000 1.189 92 A CA 0.984 52.708 52.037 -0.522 0.000 0.615 92 A CB -0.499 17.914 19.000 -0.979 0.000 0.830 92 A HN 0.445 nan 8.150 nan 0.000 0.443 93 W N -0.276 120.752 121.300 -0.454 0.000 2.476 93 W HA 0.162 4.822 4.660 0.000 0.000 0.281 93 W C 2.452 178.854 176.519 -0.196 0.000 1.230 93 W CA 0.729 57.902 57.345 -0.287 0.000 1.287 93 W CB -0.424 28.691 29.460 -0.575 0.000 1.108 93 W HN 0.358 nan 8.180 nan 0.000 0.567 94 G N 0.283 109.172 108.800 0.149 0.000 2.422 94 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 94 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 94 G C 1.397 176.378 174.900 0.136 0.000 1.140 94 G CA 0.741 45.979 45.100 0.231 0.000 0.775 94 G HN 0.208 nan 8.290 nan 0.000 0.545 95 L N 0.281 121.546 121.223 0.071 0.000 2.477 95 L HA 0.259 4.599 4.340 0.000 0.000 0.220 95 L C 2.858 179.755 176.870 0.046 0.000 1.106 95 L CA 0.563 55.454 54.840 0.085 0.000 0.851 95 L CB 0.150 42.256 42.059 0.078 0.000 0.994 95 L HN 0.270 nan 8.230 nan 0.000 0.462 96 G N -0.233 108.561 108.800 -0.009 0.000 2.417 96 G HA2 -0.088 3.872 3.960 0.000 0.000 0.212 96 G HA3 -0.088 3.872 3.960 0.000 0.000 0.212 96 G C 1.487 176.324 174.900 -0.105 0.000 1.187 96 G CA 0.095 45.139 45.100 -0.093 0.000 0.804 96 G HN 0.135 nan 8.290 nan 0.000 0.534 97 L N 1.030 122.120 121.223 -0.221 0.000 2.201 97 L HA 0.047 4.387 4.340 0.000 0.000 0.212 97 L C 3.024 179.613 176.870 -0.468 0.000 1.105 97 L CA 0.830 55.378 54.840 -0.487 0.000 0.775 97 L CB -0.492 40.889 42.059 -1.129 0.000 0.913 97 L HN 0.349 nan 8.230 nan 0.000 0.440 98 G N -0.704 107.934 108.800 -0.270 0.000 2.471 98 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 98 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 98 G C 1.385 176.347 174.900 0.104 0.000 1.125 98 G CA 0.148 45.292 45.100 0.074 0.000 0.775 98 G HN 0.229 nan 8.290 nan 0.000 0.548 99 F N 0.844 120.752 119.950 -0.070 0.000 2.123 99 F HA 0.232 4.759 4.527 -0.000 0.000 0.289 99 F C 2.498 178.266 175.800 -0.054 0.000 1.099 99 F CA 0.607 58.570 58.000 -0.061 0.000 1.234 99 F CB -0.320 38.622 39.000 -0.097 0.000 1.034 99 F HN -0.041 nan 8.300 nan 0.000 0.479 100 L N -0.270 120.984 121.223 0.051 0.000 1.963 100 L HA -0.334 4.006 4.340 0.000 0.000 0.220 100 L C 2.326 179.160 176.870 -0.060 0.000 1.076 100 L CA 2.287 57.110 54.840 -0.027 0.000 0.772 100 L CB -1.586 40.470 42.059 -0.005 0.000 0.892 100 L HN 0.171 nan 8.230 nan 0.000 0.435 101 T N -0.216 114.341 114.554 0.006 0.000 2.680 101 T HA -0.224 4.126 4.350 0.000 0.000 0.268 101 T C 1.584 176.290 174.700 0.010 0.000 1.033 101 T CA 1.646 63.792 62.100 0.077 0.000 1.152 101 T CB -0.596 68.413 68.868 0.234 0.000 0.859 101 T HN 0.637 nan 8.240 nan 0.000 0.452 102 G N -0.124 108.630 108.800 -0.078 0.000 2.650 102 G HA2 0.187 4.147 3.960 0.000 0.000 0.214 102 G HA3 0.187 4.147 3.960 0.000 0.000 0.214 102 G C 1.486 176.276 174.900 -0.183 0.000 1.136 102 G CA 0.760 45.778 45.100 -0.137 0.000 0.789 102 G HN 0.575 nan 8.290 nan 0.000 0.536 103 G N 1.089 109.740 108.800 -0.248 0.000 2.439 103 G HA2 -0.053 3.907 3.960 0.000 0.000 0.212 103 G HA3 -0.053 3.907 3.960 0.000 0.000 0.212 103 G C 1.587 176.468 174.900 -0.032 0.000 1.199 103 G CA 0.144 45.124 45.100 -0.201 0.000 0.807 103 G HN 0.350 nan 8.290 nan 0.000 0.537 104 L N 0.243 121.453 121.223 -0.021 0.000 2.551 104 L HA 0.077 4.417 4.340 0.000 0.000 0.230 104 L C 2.397 179.295 176.870 0.047 0.000 1.163 104 L CA 0.247 55.098 54.840 0.019 0.000 0.826 104 L CB -0.207 41.870 42.059 0.030 0.000 0.943 104 L HN 0.198 nan 8.230 nan 0.000 0.452 105 L N -2.513 118.753 121.223 0.072 0.000 2.470 105 L HA -0.067 4.273 4.340 0.000 0.000 0.219 105 L C 2.162 179.125 176.870 0.156 0.000 1.071 105 L CA 0.236 55.162 54.840 0.144 0.000 0.850 105 L CB -0.031 42.149 42.059 0.201 0.000 1.040 105 L HN 0.148 nan 8.230 nan 0.000 0.475 106 Y N -0.091 120.202 120.300 -0.012 0.000 2.448 106 Y HA 0.047 4.597 4.550 -0.000 0.000 0.289 106 Y C 1.371 177.251 175.900 -0.032 0.000 1.114 106 Y CA 0.610 58.695 58.100 -0.026 0.000 1.235 106 Y CB 0.473 38.885 38.460 -0.080 0.000 1.045 106 Y HN -0.013 nan 8.280 nan 0.000 0.554 107 L N 1.065 122.301 121.223 0.021 0.000 2.888 107 L HA 0.305 4.645 4.340 0.000 0.000 0.237 107 L C 1.848 178.678 176.870 -0.066 0.000 1.288 107 L CA 0.488 55.301 54.840 -0.044 0.000 1.110 107 L CB -0.757 41.313 42.059 0.018 0.000 1.441 107 L HN 0.422 nan 8.230 nan 0.000 0.474 108 G N -0.349 108.393 108.800 -0.096 0.000 2.340 108 G HA2 -0.425 3.535 3.960 0.000 0.000 0.302 108 G HA3 -0.425 3.535 3.960 0.000 0.000 0.302 108 G C 1.173 176.049 174.900 -0.040 0.000 1.027 108 G CA 1.530 46.585 45.100 -0.074 0.000 0.695 108 G HN 0.420 nan 8.290 nan 0.000 0.541 109 K N -2.199 118.188 120.400 -0.023 0.000 2.642 109 K HA 0.601 4.921 4.320 0.000 0.000 0.273 109 K C 1.861 178.465 176.600 0.006 0.000 1.029 109 K CA 0.442 56.722 56.287 -0.011 0.000 1.071 109 K CB 0.178 32.671 32.500 -0.013 0.000 1.451 109 K HN 0.694 nan 8.250 nan 0.000 0.559 110 G N -0.247 108.558 108.800 0.008 0.000 4.843 110 G HA2 -0.300 3.660 3.960 0.000 0.000 0.229 110 G HA3 -0.300 3.660 3.960 0.000 0.000 0.229 110 G C -0.149 174.765 174.900 0.023 0.000 1.384 110 G CA 0.815 45.925 45.100 0.018 0.000 1.133 110 G HN 0.628 nan 8.290 nan 0.000 0.741 111 S N -0.808 114.910 115.700 0.030 0.000 2.595 111 S HA 0.610 5.080 4.470 0.000 0.000 0.270 111 S C -1.093 173.529 174.600 0.038 0.000 1.145 111 S CA -0.568 57.653 58.200 0.035 0.000 0.825 111 S CB 2.014 65.246 63.200 0.053 0.000 1.107 111 S HN 0.743 nan 8.310 nan 0.000 0.461 112 Q N 0.637 120.456 119.800 0.032 0.000 2.399 112 Q HA 0.539 4.879 4.340 0.000 0.000 0.276 112 Q C -0.157 175.870 176.000 0.044 0.000 1.098 112 Q CA -0.998 54.816 55.803 0.018 0.000 0.827 112 Q CB 1.169 29.893 28.738 -0.023 0.000 1.386 112 Q HN 0.657 nan 8.270 nan 0.000 0.443 113 R N 0.296 120.817 120.500 0.035 0.000 3.490 113 R HA -0.321 4.019 4.340 0.000 0.000 0.243 113 R C -0.344 176.045 176.300 0.149 0.000 1.017 113 R CA 1.076 57.202 56.100 0.043 0.000 0.680 113 R CB -1.122 29.172 30.300 -0.010 0.000 1.056 113 R HN 0.783 nan 8.270 nan 0.000 0.484 114 A N -1.140 121.789 122.820 0.181 0.000 2.263 114 A HA 0.240 4.560 4.320 0.000 0.000 0.200 114 A C 1.679 179.405 177.584 0.237 0.000 1.428 114 A CA -0.298 51.908 52.037 0.281 0.000 1.050 114 A CB 0.380 19.481 19.000 0.169 0.000 1.226 114 A HN 0.246 nan 8.150 nan 0.000 0.501 115 L N -0.367 120.951 121.223 0.158 0.000 2.341 115 L HA 0.047 4.387 4.340 0.000 0.000 0.214 115 L C 2.672 179.608 176.870 0.111 0.000 1.115 115 L CA 0.933 55.858 54.840 0.143 0.000 0.820 115 L CB -0.074 42.062 42.059 0.128 0.000 0.944 115 L HN 0.430 nan 8.230 nan 0.000 0.452 116 A N -1.113 121.743 122.820 0.061 0.000 2.119 116 A HA -0.159 4.161 4.320 0.000 0.000 0.216 116 A C 1.774 179.211 177.584 -0.244 0.000 1.152 116 A CA 0.564 52.555 52.037 -0.077 0.000 0.708 116 A CB -0.581 18.365 19.000 -0.090 0.000 0.805 116 A HN 0.519 nan 8.150 nan 0.000 0.460 117 W N -0.483 120.824 121.300 0.011 0.000 2.476 117 W HA 0.099 4.759 4.660 0.000 0.000 0.281 117 W C 2.603 179.065 176.519 -0.095 0.000 1.230 117 W CA 0.916 58.240 57.345 -0.033 0.000 1.287 117 W CB 0.126 29.569 29.460 -0.028 0.000 1.108 117 W HN 0.350 nan 8.180 nan 0.000 0.567 118 A N -0.279 122.613 122.820 0.121 0.000 1.929 118 A HA -0.137 4.183 4.320 0.000 0.000 0.216 118 A C 1.828 179.324 177.584 -0.147 0.000 1.176 118 A CA 1.232 53.206 52.037 -0.105 0.000 0.628 118 A CB -0.860 18.198 19.000 0.096 0.000 0.816 118 A HN 0.248 nan 8.150 nan 0.000 0.444 119 L N -0.762 120.489 121.223 0.047 0.000 2.141 119 L HA -0.053 4.287 4.340 0.000 0.000 0.209 119 L C 2.176 179.057 176.870 0.018 0.000 1.094 119 L CA 1.653 56.551 54.840 0.097 0.000 0.763 119 L CB -0.498 41.559 42.059 -0.002 0.000 0.908 119 L HN 0.368 nan 8.230 nan 0.000 0.437 120 L N -1.703 119.483 121.223 -0.061 0.000 2.056 120 L HA -0.131 4.209 4.340 0.000 0.000 0.207 120 L C 2.333 179.198 176.870 -0.009 0.000 1.078 120 L CA 1.530 56.337 54.840 -0.055 0.000 0.749 120 L CB -0.416 41.584 42.059 -0.099 0.000 0.901 120 L HN 0.067 nan 8.230 nan 0.000 0.433 121 V N -0.490 119.379 119.914 -0.074 0.000 2.261 121 V HA -0.312 3.808 4.120 0.000 0.000 0.246 121 V C 2.286 178.339 176.094 -0.069 0.000 1.047 121 V CA 2.357 64.583 62.300 -0.123 0.000 1.015 121 V CB -0.693 30.958 31.823 -0.287 0.000 0.642 121 V HN 0.403 nan 8.190 nan 0.000 0.446 122 F N 0.967 121.007 119.950 0.149 0.000 2.202 122 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 122 F C 2.756 178.641 175.800 0.142 0.000 1.082 122 F CA 1.332 59.428 58.000 0.161 0.000 1.313 122 F CB -0.559 38.530 39.000 0.149 0.000 1.024 122 F HN 0.316 nan 8.300 nan 0.000 0.495 123 S N 0.604 116.449 115.700 0.242 0.000 2.402 123 S HA -0.129 4.341 4.470 0.000 0.000 0.229 123 S C 1.876 176.562 174.600 0.144 0.000 1.021 123 S CA 0.764 59.067 58.200 0.171 0.000 0.974 123 S CB -0.778 62.479 63.200 0.094 0.000 0.800 123 S HN 0.424 nan 8.310 nan 0.000 0.484 124 L N 0.957 122.250 121.223 0.118 0.000 2.056 124 L HA -0.026 4.314 4.340 0.000 0.000 0.207 124 L C 2.745 179.694 176.870 0.133 0.000 1.078 124 L CA 0.953 55.850 54.840 0.094 0.000 0.749 124 L CB -0.631 41.467 42.059 0.064 0.000 0.901 124 L HN 0.250 nan 8.230 nan 0.000 0.433 125 V N 0.180 120.217 119.914 0.204 0.000 2.343 125 V HA -0.299 3.821 4.120 0.000 0.000 0.247 125 V C 2.660 178.948 176.094 0.324 0.000 1.051 125 V CA 1.899 64.365 62.300 0.276 0.000 1.036 125 V CB -0.767 31.328 31.823 0.452 0.000 0.654 125 V HN 0.498 nan 8.190 nan 0.000 0.451 126 A N -1.112 121.896 122.820 0.313 0.000 2.119 126 A HA -0.013 4.307 4.320 0.000 0.000 0.217 126 A C 2.121 179.837 177.584 0.220 0.000 1.153 126 A CA 1.207 53.452 52.037 0.346 0.000 0.692 126 A CB -0.323 18.834 19.000 0.263 0.000 0.799 126 A HN 0.523 nan 8.150 nan 0.000 0.458 127 L N -1.300 120.007 121.223 0.139 0.000 2.416 127 L HA 0.029 4.369 4.340 0.000 0.000 0.216 127 L C 2.408 179.295 176.870 0.029 0.000 1.098 127 L CA 0.758 55.632 54.840 0.057 0.000 0.840 127 L CB 0.138 42.228 42.059 0.052 0.000 0.981 127 L HN 0.280 nan 8.230 nan 0.000 0.462 128 S N -1.150 114.588 115.700 0.062 0.000 2.441 128 S HA -0.108 4.362 4.470 0.000 0.000 0.224 128 S C 1.782 176.389 174.600 0.011 0.000 1.043 128 S CA 0.404 58.623 58.200 0.032 0.000 0.948 128 S CB -0.129 63.087 63.200 0.026 0.000 0.810 128 S HN 0.519 nan 8.310 nan 0.000 0.504 129 Y N 3.652 123.948 120.300 -0.006 0.000 2.224 129 Y HA 0.121 4.671 4.550 0.000 0.000 0.289 129 Y C -2.166 173.680 175.900 -0.089 0.000 1.146 129 Y CA 0.115 58.208 58.100 -0.012 0.000 1.182 129 Y CB -1.774 36.735 38.460 0.082 0.000 0.983 129 Y HN 0.125 nan 8.280 nan 0.000 0.524 130 P HA 0.357 nan 4.420 nan 0.000 0.292 130 P C 0.602 177.587 177.300 -0.525 0.000 1.287 130 P CA 0.989 63.528 63.100 -0.935 0.000 0.800 130 P CB 1.802 32.765 31.700 -1.228 0.000 0.945 131 G N 2.535 110.972 108.800 -0.606 0.000 3.031 131 G HA2 -0.213 3.747 3.960 0.000 0.000 0.198 131 G HA3 -0.213 3.747 3.960 0.000 0.000 0.198 131 G C 0.740 175.474 174.900 -0.277 0.000 1.242 131 G CA -0.059 44.745 45.100 -0.493 0.000 0.878 131 G HN 0.437 nan 8.290 nan 0.000 0.493 132 L N 1.518 122.642 121.223 -0.165 0.000 2.375 132 L HA 0.406 4.746 4.340 0.000 0.000 0.215 132 L C 3.102 179.960 176.870 -0.020 0.000 1.108 132 L CA 1.208 56.013 54.840 -0.058 0.000 0.830 132 L CB -0.105 41.946 42.059 -0.013 0.000 0.959 132 L HN 0.448 nan 8.230 nan 0.000 0.457 133 A N -0.001 122.789 122.820 -0.049 0.000 2.066 133 A HA -0.049 4.271 4.320 0.000 0.000 0.218 133 A C 2.107 179.715 177.584 0.040 0.000 1.157 133 A CA 1.082 53.161 52.037 0.070 0.000 0.670 133 A CB -0.253 18.793 19.000 0.077 0.000 0.804 133 A HN 0.370 nan 8.150 nan 0.000 0.453 134 L N -1.647 119.448 121.223 -0.214 0.000 2.189 134 L HA 0.093 4.433 4.340 0.000 0.000 0.199 134 L C 2.843 179.718 176.870 0.008 0.000 1.074 134 L CA 0.826 55.392 54.840 -0.455 0.000 0.783 134 L CB -0.642 40.705 42.059 -1.186 0.000 0.955 134 L HN 0.292 nan 8.230 nan 0.000 0.460 135 A N -0.367 122.449 122.820 -0.006 0.000 2.172 135 A HA -0.106 4.214 4.320 0.000 0.000 0.216 135 A C 2.267 179.935 177.584 0.140 0.000 1.154 135 A CA 1.071 53.185 52.037 0.128 0.000 0.701 135 A CB -0.621 18.426 19.000 0.078 0.000 0.789 135 A HN 0.202 nan 8.150 nan 0.000 0.465 136 V N 0.484 120.470 119.914 0.120 0.000 2.809 136 V HA -0.110 4.010 4.120 0.000 0.000 0.256 136 V C 0.279 176.452 176.094 0.132 0.000 1.080 136 V CA 1.183 63.550 62.300 0.112 0.000 1.102 136 V CB -0.813 31.073 31.823 0.105 0.000 0.705 136 V HN 0.680 nan 8.190 nan 0.000 0.475 137 N N 0.698 119.518 118.700 0.201 0.000 2.663 137 N HA 0.240 4.980 4.740 0.000 0.000 0.250 137 N C 0.539 176.150 175.510 0.168 0.000 1.129 137 N CA -0.130 53.034 53.050 0.190 0.000 0.995 137 N CB 0.779 39.446 38.487 0.300 0.000 1.324 137 N HN 0.304 nan 8.380 nan 0.000 0.512 138 L N 1.370 122.652 121.223 0.098 0.000 2.633 138 L HA -0.107 4.233 4.340 0.000 0.000 0.235 138 L C 1.329 178.216 176.870 0.029 0.000 1.163 138 L CA 0.775 55.660 54.840 0.075 0.000 0.859 138 L CB -0.505 41.584 42.059 0.052 0.000 0.973 138 L HN 0.651 nan 8.230 nan 0.000 0.451 139 N N -0.920 117.780 118.700 0.001 0.000 2.412 139 N HA -0.033 4.707 4.740 0.000 0.000 0.184 139 N C 0.428 175.863 175.510 -0.124 0.000 1.101 139 N CA -0.043 52.964 53.050 -0.072 0.000 0.881 139 N CB 0.219 38.649 38.487 -0.094 0.000 0.969 139 N HN 0.065 nan 8.380 nan 0.000 0.459 140 R N 1.154 121.617 120.500 -0.061 0.000 2.280 140 R HA 0.197 4.537 4.340 0.000 0.000 0.326 140 R C -1.967 174.314 176.300 -0.032 0.000 1.080 140 R CA -1.789 54.227 56.100 -0.141 0.000 1.002 140 R CB 1.008 31.195 30.300 -0.189 0.000 1.136 140 R HN 0.153 nan 8.270 nan 0.000 0.509 141 P HA -0.153 nan 4.420 nan 0.000 0.217 141 P C 1.203 178.624 177.300 0.202 0.000 1.148 141 P CA 1.063 64.212 63.100 0.081 0.000 0.828 141 P CB 0.294 32.044 31.700 0.085 0.000 0.783 142 L N -2.857 118.505 121.223 0.232 0.000 2.179 142 L HA -0.048 4.292 4.340 0.000 0.000 0.208 142 L C 0.895 178.081 176.870 0.527 0.000 1.096 142 L CA 0.713 55.762 54.840 0.348 0.000 0.779 142 L CB -0.657 41.578 42.059 0.293 0.000 0.922 142 L HN 0.080 nan 8.230 nan 0.000 0.443 143 W N 3.112 124.579 121.300 0.279 0.000 1.303 143 W HA 0.105 4.765 4.660 -0.000 0.000 0.478 143 W C 0.976 177.616 176.519 0.201 0.000 0.604 143 W CA -1.301 56.178 57.345 0.223 0.000 2.319 143 W CB -1.732 27.829 29.460 0.168 0.000 1.443 143 W HN 0.337 nan 8.180 nan 0.000 0.249 144 N N -1.179 117.798 118.700 0.462 0.000 2.332 144 N HA 0.251 4.991 4.740 0.000 0.000 0.282 144 N C 1.657 177.326 175.510 0.266 0.000 1.288 144 N CA -0.054 53.188 53.050 0.320 0.000 0.949 144 N CB 0.297 38.951 38.487 0.279 0.000 1.108 144 N HN 0.067 nan 8.380 nan 0.000 0.542 145 G N -0.122 108.798 108.800 0.201 0.000 2.475 145 G HA2 -0.225 3.735 3.960 0.000 0.000 0.220 145 G HA3 -0.225 3.735 3.960 0.000 0.000 0.220 145 G C 1.372 176.372 174.900 0.166 0.000 1.125 145 G CA 0.352 45.545 45.100 0.155 0.000 0.755 145 G HN 0.490 nan 8.290 nan 0.000 0.565 146 L N 0.133 121.490 121.223 0.224 0.000 2.265 146 L HA -0.069 4.271 4.340 0.000 0.000 0.215 146 L C 2.814 179.794 176.870 0.183 0.000 1.117 146 L CA 0.454 55.425 54.840 0.218 0.000 0.782 146 L CB -0.179 42.077 42.059 0.327 0.000 0.914 146 L HN 0.213 nan 8.230 nan 0.000 0.441 147 M N -0.923 118.789 119.600 0.188 0.000 2.213 147 M HA -0.163 4.317 4.480 0.000 0.000 0.263 147 M C 2.389 178.792 176.300 0.173 0.000 1.062 147 M CA 1.677 57.094 55.300 0.194 0.000 1.105 147 M CB -1.331 31.295 32.600 0.043 0.000 1.385 147 M HN 0.261 nan 8.290 nan 0.000 0.417 148 A N -0.425 122.457 122.820 0.103 0.000 2.168 148 A HA 0.172 4.492 4.320 0.000 0.000 0.215 148 A C 2.306 179.945 177.584 0.092 0.000 1.152 148 A CA 1.564 53.643 52.037 0.069 0.000 0.716 148 A CB -0.887 18.141 19.000 0.046 0.000 0.794 148 A HN 0.536 nan 8.150 nan 0.000 0.465 149 G N -1.107 107.763 108.800 0.115 0.000 2.727 149 G HA2 0.144 4.104 3.960 0.000 0.000 0.203 149 G HA3 0.144 4.104 3.960 0.000 0.000 0.203 149 G C 1.348 176.303 174.900 0.092 0.000 1.117 149 G CA 0.279 45.434 45.100 0.092 0.000 0.817 149 G HN 0.314 nan 8.290 nan 0.000 0.553 150 L N -0.201 121.091 121.223 0.116 0.000 2.201 150 L HA 0.084 4.424 4.340 0.000 0.000 0.212 150 L C 2.461 179.303 176.870 -0.047 0.000 1.105 150 L CA 0.739 55.598 54.840 0.032 0.000 0.775 150 L CB -0.209 41.851 42.059 0.001 0.000 0.913 150 L HN 0.138 nan 8.230 nan 0.000 0.440 151 F N -0.192 119.730 119.950 -0.048 0.000 2.219 151 F HA 0.009 4.536 4.527 0.000 0.000 0.294 151 F C -0.357 175.404 175.800 -0.064 0.000 1.086 151 F CA 0.579 58.541 58.000 -0.062 0.000 1.330 151 F CB -1.620 37.334 39.000 -0.076 0.000 1.047 151 F HN 0.050 nan 8.300 nan 0.000 0.495 152 P HA -0.089 nan 4.420 nan 0.000 0.220 152 P C 2.003 179.302 177.300 -0.002 0.000 1.152 152 P CA 1.252 64.375 63.100 0.038 0.000 0.812 152 P CB 0.066 31.790 31.700 0.039 0.000 0.792 153 L N -1.434 119.783 121.223 -0.010 0.000 2.046 153 L HA -0.153 4.187 4.340 0.000 0.000 0.208 153 L C 2.317 179.149 176.870 -0.062 0.000 1.077 153 L CA 1.703 56.526 54.840 -0.027 0.000 0.747 153 L CB -1.251 40.798 42.059 -0.017 0.000 0.896 153 L HN 0.038 nan 8.230 nan 0.000 0.432 154 T N -0.671 113.815 114.554 -0.112 0.000 2.951 154 T HA -0.038 4.312 4.350 0.000 0.000 0.268 154 T C 1.805 176.422 174.700 -0.139 0.000 1.073 154 T CA 1.058 63.057 62.100 -0.169 0.000 1.134 154 T CB 0.096 68.776 68.868 -0.314 0.000 0.884 154 T HN 0.426 nan 8.240 nan 0.000 0.479 155 A N 0.901 123.661 122.820 -0.100 0.000 1.968 155 A HA 0.129 4.449 4.320 0.000 0.000 0.217 155 A C 2.126 179.683 177.584 -0.046 0.000 1.169 155 A CA 0.911 52.907 52.037 -0.068 0.000 0.638 155 A CB -0.516 18.462 19.000 -0.037 0.000 0.812 155 A HN 0.524 nan 8.150 nan 0.000 0.446 156 L N -0.682 120.518 121.223 -0.038 0.000 2.313 156 L HA -0.063 4.277 4.340 0.000 0.000 0.214 156 L C 2.273 179.122 176.870 -0.034 0.000 1.119 156 L CA 0.416 55.240 54.840 -0.026 0.000 0.809 156 L CB -0.456 41.588 42.059 -0.025 0.000 0.933 156 L HN 0.198 nan 8.230 nan 0.000 0.449 157 V N 0.264 120.144 119.914 -0.055 0.000 2.515 157 V HA -0.226 3.894 4.120 0.000 0.000 0.250 157 V C 2.375 178.426 176.094 -0.072 0.000 1.058 157 V CA 1.360 63.620 62.300 -0.066 0.000 1.064 157 V CB -0.135 31.639 31.823 -0.082 0.000 0.675 157 V HN 0.350 nan 8.190 nan 0.000 0.461 158 L N -0.222 120.958 121.223 -0.072 0.000 2.044 158 L HA -0.096 4.244 4.340 0.000 0.000 0.205 158 L C 2.732 179.574 176.870 -0.046 0.000 1.075 158 L CA 1.548 56.345 54.840 -0.072 0.000 0.747 158 L CB -0.781 41.236 42.059 -0.070 0.000 0.903 158 L HN 0.359 nan 8.230 nan 0.000 0.435 159 A N 0.174 122.987 122.820 -0.012 0.000 1.873 159 A HA -0.145 4.175 4.320 0.000 0.000 0.215 159 A C 2.179 179.802 177.584 0.064 0.000 1.186 159 A CA 1.329 53.390 52.037 0.040 0.000 0.616 159 A CB -0.673 18.360 19.000 0.055 0.000 0.823 159 A HN 0.358 nan 8.150 nan 0.000 0.442 160 L N -0.648 120.599 121.223 0.041 0.000 2.291 160 L HA -0.032 4.308 4.340 0.000 0.000 0.214 160 L C 2.651 179.511 176.870 -0.017 0.000 1.120 160 L CA 0.681 55.560 54.840 0.064 0.000 0.799 160 L CB -0.437 41.654 42.059 0.053 0.000 0.925 160 L HN 0.487 nan 8.230 nan 0.000 0.446 161 G N -0.218 108.537 108.800 -0.075 0.000 2.394 161 G HA2 -0.169 3.791 3.960 0.000 0.000 0.215 161 G HA3 -0.169 3.791 3.960 0.000 0.000 0.215 161 G C 1.531 176.295 174.900 -0.225 0.000 1.165 161 G CA 0.082 45.083 45.100 -0.166 0.000 0.784 161 G HN 0.149 nan 8.290 nan 0.000 0.535 162 L N 1.081 122.208 121.223 -0.160 0.000 1.961 162 L HA -0.037 4.303 4.340 0.000 0.000 0.210 162 L C 3.171 179.980 176.870 -0.100 0.000 1.072 162 L CA 2.291 57.032 54.840 -0.164 0.000 0.749 162 L CB -1.085 40.923 42.059 -0.085 0.000 0.889 162 L HN 0.315 nan 8.230 nan 0.000 0.432 163 A N 0.060 122.908 122.820 0.047 0.000 1.903 163 A HA -0.281 4.039 4.320 0.000 0.000 0.219 163 A C 2.387 179.896 177.584 -0.124 0.000 1.191 163 A CA 2.457 54.561 52.037 0.111 0.000 0.638 163 A CB -1.010 18.063 19.000 0.121 0.000 0.823 163 A HN 0.642 nan 8.150 nan 0.000 0.451 164 A N -1.038 121.688 122.820 -0.158 0.000 2.067 164 A HA 0.125 4.445 4.320 0.000 0.000 0.219 164 A C 2.066 179.532 177.584 -0.196 0.000 1.158 164 A CA 1.276 53.199 52.037 -0.191 0.000 0.661 164 A CB -0.423 18.485 19.000 -0.154 0.000 0.801 164 A HN 0.488 nan 8.150 nan 0.000 0.452 165 L N -0.721 120.362 121.223 -0.234 0.000 2.341 165 L HA 0.075 4.415 4.340 0.000 0.000 0.214 165 L C 1.055 177.833 176.870 -0.153 0.000 1.115 165 L CA 0.343 55.036 54.840 -0.245 0.000 0.820 165 L CB -0.136 41.678 42.059 -0.409 0.000 0.944 165 L HN 0.313 nan 8.230 nan 0.000 0.452 166 L N 0.279 121.418 121.223 -0.140 0.000 2.779 166 L HA 0.063 4.403 4.340 0.000 0.000 0.239 166 L C 0.114 176.929 176.870 -0.090 0.000 1.245 166 L CA -0.279 54.500 54.840 -0.101 0.000 1.064 166 L CB -0.743 41.256 42.059 -0.100 0.000 1.350 166 L HN 0.094 nan 8.230 nan 0.000 0.455 167 K N 0.683 121.014 120.400 -0.115 0.000 4.166 167 K HA -0.183 4.137 4.320 0.000 0.000 0.276 167 K C -0.102 176.386 176.600 -0.186 0.000 0.808 167 K CA 0.238 56.446 56.287 -0.132 0.000 0.717 167 K CB -1.071 31.379 32.500 -0.084 0.000 1.774 167 K HN 0.227 nan 8.250 nan 0.000 0.427 168 S N 1.555 117.054 115.700 -0.335 0.000 2.462 168 S HA 0.280 4.750 4.470 0.000 0.000 0.294 168 S C -1.259 172.989 174.600 -0.587 0.000 1.144 168 S CA -1.518 56.322 58.200 -0.600 0.000 1.088 168 S CB 1.576 64.029 63.200 -1.245 0.000 1.009 168 S HN 0.152 nan 8.310 nan 0.000 0.484 169 P HA -0.107 nan 4.420 nan 0.000 0.215 169 P C 1.674 178.912 177.300 -0.102 0.000 1.153 169 P CA 1.156 64.143 63.100 -0.190 0.000 0.853 169 P CB -0.127 31.533 31.700 -0.066 0.000 0.788 170 W N 0.042 121.353 121.300 0.019 0.000 2.374 170 W HA 0.074 4.734 4.660 0.000 0.000 0.288 170 W C 1.777 178.317 176.519 0.035 0.000 1.218 170 W CA 0.532 57.892 57.345 0.025 0.000 1.245 170 W CB -1.741 27.718 29.460 -0.002 0.000 1.126 170 W HN -0.110 nan 8.180 nan 0.000 0.545 171 A N 1.917 124.856 122.820 0.198 0.000 1.978 171 A HA -0.181 4.139 4.320 0.000 0.000 0.220 171 A C 2.113 179.776 177.584 0.132 0.000 1.170 171 A CA 1.898 54.071 52.037 0.226 0.000 0.636 171 A CB -0.906 17.995 19.000 -0.166 0.000 0.810 171 A HN 0.289 nan 8.150 nan 0.000 0.448 172 L N -1.599 119.671 121.223 0.078 0.000 1.994 172 L HA -0.100 4.240 4.340 0.000 0.000 0.208 172 L C 2.213 179.178 176.870 0.158 0.000 1.071 172 L CA 2.310 57.197 54.840 0.078 0.000 0.745 172 L CB -0.786 41.306 42.059 0.055 0.000 0.892 172 L HN 0.448 nan 8.230 nan 0.000 0.431 173 F N 1.695 121.685 119.950 0.068 0.000 2.095 173 F HA -0.082 4.445 4.527 0.000 0.000 0.298 173 F C -0.642 175.213 175.800 0.091 0.000 1.104 173 F CA 1.487 59.537 58.000 0.083 0.000 1.232 173 F CB -1.763 37.285 39.000 0.080 0.000 0.987 173 F HN 0.192 nan 8.300 nan 0.000 0.475 174 P HA -0.130 nan 4.420 nan 0.000 0.222 174 P C 2.057 179.282 177.300 -0.125 0.000 1.153 174 P CA 1.143 64.113 63.100 -0.218 0.000 0.798 174 P CB -0.291 31.394 31.700 -0.025 0.000 0.796 175 L N 0.492 121.692 121.223 -0.037 0.000 2.093 175 L HA -0.023 4.317 4.340 0.000 0.000 0.208 175 L C 2.253 179.086 176.870 -0.062 0.000 1.085 175 L CA 1.740 56.555 54.840 -0.043 0.000 0.755 175 L CB -0.869 41.168 42.059 -0.037 0.000 0.904 175 L HN -0.247 nan 8.230 nan 0.000 0.435 176 R N -1.124 119.352 120.500 -0.040 0.000 2.276 176 R HA 0.061 4.401 4.340 0.000 0.000 0.203 176 R C 1.907 178.311 176.300 0.173 0.000 1.017 176 R CA 0.727 56.878 56.100 0.084 0.000 1.010 176 R CB -0.124 30.305 30.300 0.215 0.000 0.900 176 R HN 0.319 nan 8.270 nan 0.000 0.469 177 V N 0.905 120.758 119.914 -0.102 0.000 2.374 177 V HA -0.083 4.037 4.120 0.000 0.000 0.241 177 V C 2.065 178.139 176.094 -0.033 0.000 1.034 177 V CA 1.121 63.339 62.300 -0.138 0.000 1.037 177 V CB -0.121 31.464 31.823 -0.396 0.000 0.682 177 V HN 0.223 nan 8.190 nan 0.000 0.463 178 L N 0.305 121.495 121.223 -0.054 0.000 2.275 178 L HA -0.091 4.249 4.340 0.000 0.000 0.215 178 L C 2.553 179.433 176.870 0.017 0.000 1.119 178 L CA 1.248 56.075 54.840 -0.021 0.000 0.790 178 L CB -0.650 41.386 42.059 -0.038 0.000 0.919 178 L HN 0.379 nan 8.230 nan 0.000 0.443 179 A N 0.152 122.999 122.820 0.044 0.000 1.970 179 A HA 0.001 4.321 4.320 0.000 0.000 0.216 179 A C 2.379 180.107 177.584 0.240 0.000 1.170 179 A CA 1.316 53.394 52.037 0.069 0.000 0.645 179 A CB -0.784 18.182 19.000 -0.056 0.000 0.816 179 A HN 0.402 nan 8.150 nan 0.000 0.447 180 G N -0.354 108.652 108.800 0.343 0.000 2.394 180 G HA2 0.082 4.042 3.960 0.000 0.000 0.214 180 G HA3 0.082 4.042 3.960 0.000 0.000 0.214 180 G C 1.759 176.722 174.900 0.105 0.000 1.176 180 G CA 1.250 46.500 45.100 0.250 0.000 0.786 180 G HN 0.694 nan 8.290 nan 0.000 0.533 181 A N 0.951 123.811 122.820 0.067 0.000 1.865 181 A HA -0.052 4.268 4.320 0.000 0.000 0.217 181 A C 2.694 180.308 177.584 0.051 0.000 1.191 181 A CA 2.413 54.474 52.037 0.042 0.000 0.623 181 A CB -0.922 18.091 19.000 0.021 0.000 0.826 181 A HN 0.305 nan 8.150 nan 0.000 0.444 182 S N -0.288 115.438 115.700 0.043 0.000 2.365 182 S HA -0.149 4.321 4.470 0.000 0.000 0.225 182 S C 1.820 176.446 174.600 0.044 0.000 1.039 182 S CA 1.683 59.896 58.200 0.022 0.000 1.033 182 S CB -0.480 62.713 63.200 -0.011 0.000 0.887 182 S HN 0.492 nan 8.310 nan 0.000 0.447 183 L N 0.371 121.642 121.223 0.081 0.000 2.217 183 L HA -0.030 4.310 4.340 0.000 0.000 0.211 183 L C 2.278 179.211 176.870 0.106 0.000 1.107 183 L CA 0.558 55.459 54.840 0.101 0.000 0.783 183 L CB -0.335 41.822 42.059 0.163 0.000 0.919 183 L HN 0.289 nan 8.230 nan 0.000 0.442 184 L N -0.362 120.916 121.223 0.092 0.000 2.131 184 L HA -0.099 4.241 4.340 0.000 0.000 0.206 184 L C 2.213 179.145 176.870 0.104 0.000 1.087 184 L CA 1.510 56.400 54.840 0.084 0.000 0.767 184 L CB -0.213 41.879 42.059 0.055 0.000 0.917 184 L HN 0.082 nan 8.230 nan 0.000 0.441 185 L N -0.522 120.762 121.223 0.102 0.000 2.141 185 L HA -0.092 4.248 4.340 0.000 0.000 0.209 185 L C 2.617 179.602 176.870 0.191 0.000 1.094 185 L CA 1.020 55.938 54.840 0.130 0.000 0.763 185 L CB -1.099 41.024 42.059 0.107 0.000 0.908 185 L HN 0.363 nan 8.230 nan 0.000 0.437 186 A N 0.134 123.057 122.820 0.172 0.000 2.015 186 A HA -0.181 4.139 4.320 0.000 0.000 0.219 186 A C 2.206 180.032 177.584 0.403 0.000 1.163 186 A CA 1.282 53.471 52.037 0.254 0.000 0.646 186 A CB -0.398 18.666 19.000 0.107 0.000 0.806 186 A HN 0.341 nan 8.150 nan 0.000 0.448 187 L N -0.661 120.726 121.223 0.273 0.000 2.131 187 L HA 0.090 4.430 4.340 0.000 0.000 0.206 187 L C 2.045 179.032 176.870 0.195 0.000 1.087 187 L CA 1.391 56.378 54.840 0.245 0.000 0.767 187 L CB -0.287 41.865 42.059 0.155 0.000 0.917 187 L HN 0.357 nan 8.230 nan 0.000 0.441 188 L N -1.916 119.415 121.223 0.181 0.000 2.240 188 L HA -0.151 4.189 4.340 0.000 0.000 0.211 188 L C 2.415 179.375 176.870 0.150 0.000 1.106 188 L CA 0.758 55.679 54.840 0.135 0.000 0.793 188 L CB -0.838 41.292 42.059 0.119 0.000 0.927 188 L HN 0.314 nan 8.230 nan 0.000 0.446 189 Y N 2.397 122.767 120.300 0.117 0.000 2.030 189 Y HA -0.255 4.295 4.550 -0.000 0.000 0.272 189 Y C -0.459 175.475 175.900 0.056 0.000 1.185 189 Y CA 2.118 60.288 58.100 0.118 0.000 1.120 189 Y CB -1.774 36.803 38.460 0.195 0.000 0.955 189 Y HN 0.094 nan 8.280 nan 0.000 0.495 190 P HA -0.196 nan 4.420 nan 0.000 0.217 190 P C 1.514 178.667 177.300 -0.246 0.000 1.148 190 P CA 1.988 64.858 63.100 -0.382 0.000 0.828 190 P CB -0.210 31.347 31.700 -0.239 0.000 0.783 191 L N -2.378 118.766 121.223 -0.132 0.000 2.610 191 L HA 0.010 4.350 4.340 0.000 0.000 0.232 191 L C 1.732 178.564 176.870 -0.063 0.000 1.149 191 L CA 0.959 55.756 54.840 -0.072 0.000 0.872 191 L CB -0.740 41.305 42.059 -0.022 0.000 0.992 191 L HN -0.004 nan 8.230 nan 0.000 0.447 192 T N -0.398 114.094 114.554 -0.104 0.000 3.022 192 T HA 0.274 4.624 4.350 0.000 0.000 0.250 192 T C 0.786 175.439 174.700 -0.079 0.000 1.060 192 T CA -0.038 62.025 62.100 -0.062 0.000 1.013 192 T CB 0.216 69.066 68.868 -0.031 0.000 0.982 192 T HN 0.001 nan 8.240 nan 0.000 0.508 193 L N 2.453 123.587 121.223 -0.149 0.000 2.416 193 L HA 0.452 4.792 4.340 0.000 0.000 0.262 193 L C -2.025 174.824 176.870 -0.036 0.000 1.093 193 L CA -2.401 52.380 54.840 -0.098 0.000 0.801 193 L CB 0.520 42.479 42.059 -0.167 0.000 1.191 193 L HN -0.070 nan 8.230 nan 0.000 0.459 194 P HA 0.193 nan 4.420 nan 0.000 0.276 194 P C -2.334 174.978 177.300 0.021 0.000 1.252 194 P CA -1.660 61.452 63.100 0.020 0.000 0.802 194 P CB 0.096 31.819 31.700 0.038 0.000 1.035 195 P HA -0.222 nan 4.420 nan 0.000 0.217 195 P C 0.971 178.292 177.300 0.035 0.000 1.151 195 P CA 1.799 64.906 63.100 0.012 0.000 0.849 195 P CB -0.071 31.635 31.700 0.011 0.000 0.787 196 E N -0.251 119.997 120.200 0.081 0.000 2.152 196 E HA -0.030 4.320 4.350 0.000 0.000 0.192 196 E C 2.093 178.806 176.600 0.188 0.000 0.983 196 E CA 1.293 57.778 56.400 0.142 0.000 0.818 196 E CB -1.504 28.321 29.700 0.209 0.000 0.758 196 E HN 0.207 nan 8.360 nan 0.000 0.467 197 A N 1.267 124.215 122.820 0.214 0.000 1.929 197 A HA -0.091 4.229 4.320 0.000 0.000 0.216 197 A C 2.218 179.818 177.584 0.027 0.000 1.176 197 A CA 1.458 53.639 52.037 0.240 0.000 0.628 197 A CB -0.396 18.765 19.000 0.267 0.000 0.816 197 A HN 0.156 nan 8.150 nan 0.000 0.444 198 R N -0.414 120.076 120.500 -0.016 0.000 2.075 198 R HA -0.075 4.265 4.340 0.000 0.000 0.232 198 R C 2.239 178.484 176.300 -0.093 0.000 1.126 198 R CA 1.489 57.535 56.100 -0.090 0.000 0.963 198 R CB -0.690 29.551 30.300 -0.099 0.000 0.858 198 R HN 0.425 nan 8.270 nan 0.000 0.435 199 G N -0.272 108.493 108.800 -0.059 0.000 2.440 199 G HA2 -0.347 3.613 3.960 0.000 0.000 0.218 199 G HA3 -0.347 3.613 3.960 0.000 0.000 0.218 199 G C 1.265 176.091 174.900 -0.124 0.000 1.154 199 G CA 1.327 46.386 45.100 -0.069 0.000 0.767 199 G HN 0.515 nan 8.290 nan 0.000 0.552 200 H N 0.009 118.904 119.070 -0.292 0.000 2.353 200 H HA 0.009 4.565 4.556 0.000 0.000 0.300 200 H C 2.317 177.427 175.328 -0.363 0.000 1.090 200 H CA 1.552 57.302 56.048 -0.496 0.000 1.327 200 H CB -0.199 28.873 29.762 -1.149 0.000 1.383 200 H HN 0.252 nan 8.280 nan 0.000 0.508 201 L N 0.023 121.098 121.223 -0.246 0.000 2.027 201 L HA -0.086 4.254 4.340 0.000 0.000 0.206 201 L C 2.011 178.782 176.870 -0.164 0.000 1.074 201 L CA 1.540 56.276 54.840 -0.174 0.000 0.745 201 L CB -0.555 41.460 42.059 -0.073 0.000 0.898 201 L HN 0.379 nan 8.230 nan 0.000 0.433 202 L N -0.734 120.396 121.223 -0.155 0.000 2.201 202 L HA -0.157 4.183 4.340 0.000 0.000 0.212 202 L C 2.403 179.208 176.870 -0.107 0.000 1.105 202 L CA 1.281 56.054 54.840 -0.111 0.000 0.775 202 L CB -0.610 41.389 42.059 -0.099 0.000 0.913 202 L HN 0.394 nan 8.230 nan 0.000 0.440 203 E N -0.408 119.691 120.200 -0.169 0.000 2.122 203 E HA -0.158 4.192 4.350 0.000 0.000 0.190 203 E C 1.986 178.483 176.600 -0.171 0.000 0.977 203 E CA 0.485 56.791 56.400 -0.156 0.000 0.820 203 E CB 0.139 29.737 29.700 -0.170 0.000 0.770 203 E HN 0.274 nan 8.360 nan 0.000 0.462 204 E N 0.709 120.735 120.200 -0.290 0.000 2.028 204 E HA -0.005 4.345 4.350 0.000 0.000 0.190 204 E C 0.759 177.360 176.600 0.002 0.000 0.984 204 E CA 1.214 57.479 56.400 -0.226 0.000 0.800 204 E CB 0.044 29.465 29.700 -0.464 0.000 0.758 204 E HN 0.235 nan 8.360 nan 0.000 0.448 205 A N -2.430 120.428 122.820 0.063 0.000 3.907 205 A HA 0.725 5.045 4.320 0.000 0.000 0.166 205 A C 1.200 178.921 177.584 0.229 0.000 0.948 205 A CA 0.288 52.495 52.037 0.283 0.000 1.077 205 A CB 0.112 19.340 19.000 0.380 0.000 1.553 205 A HN 0.325 nan 8.150 nan 0.000 0.740 206 G N -1.238 107.783 108.800 0.368 0.000 4.045 206 G HA2 -0.261 3.699 3.960 0.000 0.000 0.261 206 G HA3 -0.261 3.699 3.960 0.000 0.000 0.261 206 G C 1.136 176.191 174.900 0.259 0.000 1.772 206 G CA 0.931 46.197 45.100 0.276 0.000 1.264 206 G HN 1.626 nan 8.290 nan 0.000 0.609 207 F N 1.185 121.105 119.950 -0.050 0.000 2.077 207 F HA -0.259 4.268 4.527 -0.000 0.000 0.292 207 F C 2.612 178.328 175.800 -0.139 0.000 1.120 207 F CA 3.319 61.193 58.000 -0.210 0.000 1.246 207 F CB -0.630 38.026 39.000 -0.574 0.000 0.941 207 F HN 0.470 nan 8.300 nan 0.000 0.514 208 W N -1.479 120.127 121.300 0.510 0.000 2.305 208 W HA -0.315 4.345 4.660 -0.000 0.000 0.308 208 W C 2.502 179.085 176.519 0.105 0.000 1.226 208 W CA 1.221 58.691 57.345 0.208 0.000 1.253 208 W CB -0.826 28.764 29.460 0.217 0.000 1.146 208 W HN 0.260 nan 8.180 nan 0.000 0.507 209 Y N 0.379 120.913 120.300 0.391 0.000 2.133 209 Y HA -0.104 4.446 4.550 0.000 0.000 0.287 209 Y C 2.477 178.480 175.900 0.173 0.000 1.134 209 Y CA 2.156 60.452 58.100 0.326 0.000 1.133 209 Y CB -0.888 37.716 38.460 0.240 0.000 0.987 209 Y HN -0.139 nan 8.280 nan 0.000 0.502 210 G N -0.652 108.283 108.800 0.224 0.000 2.598 210 G HA2 -0.178 3.782 3.960 0.000 0.000 0.215 210 G HA3 -0.178 3.782 3.960 0.000 0.000 0.215 210 G C 1.419 176.230 174.900 -0.150 0.000 1.131 210 G CA 0.754 45.870 45.100 0.026 0.000 0.785 210 G HN 0.401 nan 8.290 nan 0.000 0.539 211 L N -0.530 120.565 121.223 -0.212 0.000 2.034 211 L HA 0.297 4.637 4.340 0.000 0.000 0.203 211 L C 2.334 179.143 176.870 -0.102 0.000 1.074 211 L CA 1.291 55.987 54.840 -0.241 0.000 0.748 211 L CB -0.451 41.533 42.059 -0.126 0.000 0.905 211 L HN 0.151 nan 8.230 nan 0.000 0.439 212 F N -0.578 119.421 119.950 0.082 0.000 2.408 212 F HA -0.156 4.371 4.527 0.000 0.000 0.300 212 F C 2.193 177.965 175.800 -0.047 0.000 1.090 212 F CA 0.911 58.916 58.000 0.009 0.000 1.427 212 F CB -0.826 38.144 39.000 -0.049 0.000 1.070 212 F HN 0.062 nan 8.300 nan 0.000 0.549 213 L N -1.138 120.143 121.223 0.096 0.000 2.068 213 L HA -0.148 4.192 4.340 0.000 0.000 0.204 213 L C 2.372 179.287 176.870 0.074 0.000 1.076 213 L CA 0.863 55.742 54.840 0.065 0.000 0.753 213 L CB -0.557 41.546 42.059 0.074 0.000 0.910 213 L HN 0.133 nan 8.230 nan 0.000 0.439 214 L N -0.747 120.498 121.223 0.036 0.000 1.994 214 L HA -0.258 4.082 4.340 0.000 0.000 0.208 214 L C 2.570 179.468 176.870 0.047 0.000 1.071 214 L CA 0.912 55.763 54.840 0.018 0.000 0.745 214 L CB -0.459 41.574 42.059 -0.045 0.000 0.892 214 L HN 0.261 nan 8.230 nan 0.000 0.431 215 L N 0.104 121.367 121.223 0.065 0.000 2.051 215 L HA -0.224 4.116 4.340 0.000 0.000 0.214 215 L C 2.488 179.419 176.870 0.101 0.000 1.076 215 L CA 2.331 57.231 54.840 0.101 0.000 0.758 215 L CB -1.658 40.509 42.059 0.180 0.000 0.890 215 L HN 0.378 nan 8.230 nan 0.000 0.433 216 G N -1.021 107.841 108.800 0.103 0.000 2.509 216 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 216 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 216 G C 1.641 176.573 174.900 0.052 0.000 1.124 216 G CA 0.086 45.222 45.100 0.059 0.000 0.776 216 G HN 0.371 nan 8.290 nan 0.000 0.547 217 L N 0.900 122.202 121.223 0.132 0.000 2.633 217 L HA 0.075 4.415 4.340 0.000 0.000 0.235 217 L C 2.684 179.668 176.870 0.189 0.000 1.163 217 L CA 0.356 55.350 54.840 0.257 0.000 0.859 217 L CB 0.007 42.178 42.059 0.187 0.000 0.973 217 L HN 0.304 nan 8.230 nan 0.000 0.451 218 G N -1.425 107.421 108.800 0.076 0.000 2.813 218 G HA2 -0.102 3.858 3.960 0.000 0.000 0.209 218 G HA3 -0.102 3.858 3.960 0.000 0.000 0.209 218 G C 1.388 176.314 174.900 0.044 0.000 1.150 218 G CA 0.432 45.607 45.100 0.124 0.000 0.785 218 G HN 0.248 nan 8.290 nan 0.000 0.535 219 T N 0.717 115.109 114.554 -0.271 0.000 3.055 219 T HA 0.032 4.382 4.350 0.000 0.000 0.265 219 T C 1.135 175.537 174.700 -0.496 0.000 1.111 219 T CA 0.330 62.151 62.100 -0.465 0.000 1.118 219 T CB -0.251 68.157 68.868 -0.767 0.000 0.909 219 T HN 0.354 nan 8.240 nan 0.000 0.501 220 F N -0.106 119.942 119.950 0.165 0.000 2.713 220 F HA 0.447 4.974 4.527 -0.000 0.000 0.294 220 F C 0.048 176.006 175.800 0.264 0.000 1.152 220 F CA -1.272 56.829 58.000 0.169 0.000 1.385 220 F CB 0.145 39.223 39.000 0.130 0.000 0.981 220 F HN 0.139 nan 8.300 nan 0.000 0.514 221 W N 1.597 122.956 121.300 0.100 0.000 3.129 221 W HA 0.462 5.122 4.660 -0.000 0.000 0.333 221 W C -0.442 176.111 176.519 0.055 0.000 1.141 221 W CA -0.937 56.459 57.345 0.087 0.000 1.224 221 W CB 0.798 30.307 29.460 0.082 0.000 1.393 221 W HN -0.088 nan 8.180 nan 0.000 0.499 222 Q N 1.580 121.003 119.800 -0.628 0.000 0.991 222 Q HA -0.256 4.084 4.340 0.000 0.000 0.423 222 Q C -0.768 175.083 176.000 -0.249 0.000 1.037 222 Q CA 1.471 56.915 55.803 -0.599 0.000 0.435 222 Q CB -0.718 27.392 28.738 -1.047 0.000 5.269 222 Q HN 0.621 nan 8.270 nan 0.000 0.476 223 E N 0.193 120.274 120.200 -0.200 0.000 2.367 223 E HA 0.588 4.938 4.350 0.000 0.000 0.273 223 E C -0.199 176.383 176.600 -0.029 0.000 0.903 223 E CA -0.675 55.674 56.400 -0.085 0.000 0.764 223 E CB 1.645 31.303 29.700 -0.071 0.000 1.252 223 E HN 0.630 nan 8.360 nan 0.000 0.446 224 R N -0.464 120.063 120.500 0.044 0.000 3.963 224 R HA -0.214 4.126 4.340 0.000 0.000 0.394 224 R C -0.028 176.475 176.300 0.338 0.000 1.131 224 R CA 1.235 57.453 56.100 0.196 0.000 1.059 224 R CB -1.753 28.632 30.300 0.140 0.000 1.614 224 R HN 0.636 nan 8.270 nan 0.000 0.546 225 L N -2.641 118.711 121.223 0.215 0.000 2.666 225 L HA 0.578 4.918 4.340 0.000 0.000 0.184 225 L C 2.016 179.036 176.870 0.250 0.000 1.092 225 L CA 0.944 55.962 54.840 0.296 0.000 0.857 225 L CB -0.504 41.754 42.059 0.332 0.000 1.281 225 L HN 0.112 nan 8.230 nan 0.000 0.489 226 A N 1.177 124.067 122.820 0.116 0.000 1.873 226 A HA -0.226 4.094 4.320 0.000 0.000 0.219 226 A C -0.234 177.323 177.584 -0.044 0.000 1.269 226 A CA 2.867 54.917 52.037 0.021 0.000 0.671 226 A CB -2.385 16.594 19.000 -0.036 0.000 0.842 226 A HN 0.459 nan 8.150 nan 0.000 0.460 227 P HA -0.143 nan 4.420 nan 0.000 0.218 227 P C 0.964 178.085 177.300 -0.299 0.000 1.148 227 P CA 1.309 64.253 63.100 -0.260 0.000 0.822 227 P CB -0.155 31.318 31.700 -0.379 0.000 0.784 228 W N 0.180 121.473 121.300 -0.012 0.000 2.378 228 W HA -0.062 4.598 4.660 0.000 0.000 0.313 228 W C 2.661 179.186 176.519 0.010 0.000 1.197 228 W CA 1.039 58.386 57.345 0.003 0.000 1.304 228 W CB -1.142 28.331 29.460 0.022 0.000 1.148 228 W HN -0.160 nan 8.180 nan 0.000 0.494 229 A N 0.205 123.190 122.820 0.276 0.000 2.070 229 A HA -0.035 4.285 4.320 0.000 0.000 0.220 229 A C 2.124 179.752 177.584 0.074 0.000 1.159 229 A CA 1.828 53.969 52.037 0.174 0.000 0.656 229 A CB -1.251 17.845 19.000 0.159 0.000 0.800 229 A HN 0.351 nan 8.150 nan 0.000 0.453 230 G N -1.100 107.698 108.800 -0.004 0.000 2.595 230 G HA2 0.121 4.081 3.960 0.000 0.000 0.213 230 G HA3 0.121 4.081 3.960 0.000 0.000 0.213 230 G C 1.429 176.295 174.900 -0.057 0.000 1.141 230 G CA 0.614 45.673 45.100 -0.070 0.000 0.806 230 G HN 0.422 nan 8.290 nan 0.000 0.530 231 L N 0.058 121.257 121.223 -0.041 0.000 2.131 231 L HA 0.256 4.596 4.340 0.000 0.000 0.206 231 L C 2.586 179.453 176.870 -0.005 0.000 1.087 231 L CA 0.713 55.523 54.840 -0.051 0.000 0.767 231 L CB -0.035 41.965 42.059 -0.098 0.000 0.917 231 L HN 0.126 nan 8.230 nan 0.000 0.441 232 L N -0.793 120.478 121.223 0.080 0.000 2.109 232 L HA -0.091 4.249 4.340 0.000 0.000 0.207 232 L C 2.757 179.627 176.870 0.001 0.000 1.086 232 L CA 0.819 55.715 54.840 0.094 0.000 0.760 232 L CB -0.773 41.413 42.059 0.212 0.000 0.910 232 L HN 0.306 nan 8.230 nan 0.000 0.437 233 A N 0.493 123.340 122.820 0.045 0.000 1.845 233 A HA -0.211 4.109 4.320 0.000 0.000 0.215 233 A C 2.561 180.023 177.584 -0.202 0.000 1.195 233 A CA 1.915 53.954 52.037 0.004 0.000 0.616 233 A CB -0.873 18.151 19.000 0.039 0.000 0.832 233 A HN 0.372 nan 8.150 nan 0.000 0.443 234 A N -0.321 122.400 122.820 -0.164 0.000 1.908 234 A HA 0.086 4.406 4.320 0.000 0.000 0.218 234 A C 2.475 179.886 177.584 -0.288 0.000 1.181 234 A CA 2.463 54.370 52.037 -0.216 0.000 0.627 234 A CB -1.023 17.879 19.000 -0.164 0.000 0.818 234 A HN 1.183 nan 8.150 nan 0.000 0.445 235 A N -0.814 121.852 122.820 -0.257 0.000 2.014 235 A HA 0.273 4.593 4.320 0.000 0.000 0.218 235 A C 2.270 179.587 177.584 -0.445 0.000 1.163 235 A CA 1.560 53.441 52.037 -0.259 0.000 0.652 235 A CB -1.109 17.805 19.000 -0.142 0.000 0.808 235 A HN 0.658 nan 8.150 nan 0.000 0.449 236 G N 0.397 108.702 108.800 -0.824 0.000 2.524 236 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 236 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 236 G C 1.503 175.797 174.900 -1.009 0.000 1.239 236 G CA 1.056 45.065 45.100 -1.819 0.000 0.798 236 G HN 0.395 nan 8.290 nan 0.000 0.557 237 L N 0.205 120.976 121.223 -0.752 0.000 2.021 237 L HA -0.207 4.133 4.340 0.000 0.000 0.215 237 L C 3.219 179.904 176.870 -0.307 0.000 1.074 237 L CA 1.703 56.308 54.840 -0.392 0.000 0.760 237 L CB -0.381 41.458 42.059 -0.366 0.000 0.889 237 L HN 0.184 nan 8.230 nan 0.000 0.433 238 R N -0.362 119.907 120.500 -0.386 0.000 2.073 238 R HA -0.151 4.189 4.340 0.000 0.000 0.234 238 R C 2.403 178.662 176.300 -0.069 0.000 1.134 238 R CA 1.438 57.333 56.100 -0.342 0.000 0.952 238 R CB -0.605 29.516 30.300 -0.298 0.000 0.850 238 R HN 0.406 nan 8.270 nan 0.000 0.433 239 A N 1.685 124.447 122.820 -0.098 0.000 1.930 239 A HA -0.113 4.207 4.320 0.000 0.000 0.217 239 A C 2.111 179.713 177.584 0.031 0.000 1.175 239 A CA 0.999 53.026 52.037 -0.017 0.000 0.627 239 A CB -0.390 18.593 19.000 -0.028 0.000 0.815 239 A HN 0.267 nan 8.150 nan 0.000 0.443 240 L N -0.165 121.074 121.223 0.026 0.000 2.093 240 L HA -0.020 4.320 4.340 0.000 0.000 0.208 240 L C 1.973 178.981 176.870 0.231 0.000 1.085 240 L CA 1.642 56.573 54.840 0.152 0.000 0.755 240 L CB -1.254 40.954 42.059 0.247 0.000 0.904 240 L HN 0.345 nan 8.230 nan 0.000 0.435 241 L N -1.053 120.310 121.223 0.233 0.000 2.141 241 L HA -0.124 4.216 4.340 0.000 0.000 0.209 241 L C 2.500 179.665 176.870 0.492 0.000 1.094 241 L CA 0.738 55.802 54.840 0.373 0.000 0.763 241 L CB -0.583 41.685 42.059 0.348 0.000 0.908 241 L HN 0.147 nan 8.230 nan 0.000 0.437 242 V N -0.058 120.001 119.914 0.242 0.000 2.453 242 V HA -0.223 3.897 4.120 0.000 0.000 0.247 242 V C 2.309 178.595 176.094 0.320 0.000 1.048 242 V CA 1.358 63.745 62.300 0.145 0.000 1.049 242 V CB -0.179 31.434 31.823 -0.350 0.000 0.672 242 V HN 0.335 nan 8.190 nan 0.000 0.457 243 L N -0.032 121.315 121.223 0.206 0.000 2.095 243 L HA -0.020 4.320 4.340 0.000 0.000 0.204 243 L C 2.590 179.553 176.870 0.155 0.000 1.080 243 L CA 1.517 56.451 54.840 0.157 0.000 0.759 243 L CB -0.675 41.464 42.059 0.133 0.000 0.914 243 L HN 0.345 nan 8.230 nan 0.000 0.439 244 A N -0.144 122.800 122.820 0.207 0.000 2.119 244 A HA 0.054 4.374 4.320 0.000 0.000 0.216 244 A C 2.106 179.778 177.584 0.148 0.000 1.152 244 A CA 1.079 53.219 52.037 0.172 0.000 0.708 244 A CB -0.627 18.485 19.000 0.188 0.000 0.805 244 A HN 0.417 nan 8.150 nan 0.000 0.460 245 G N -1.032 107.845 108.800 0.128 0.000 2.985 245 G HA2 0.104 4.064 3.960 0.000 0.000 0.209 245 G HA3 0.104 4.064 3.960 0.000 0.000 0.209 245 G C 0.771 175.139 174.900 -0.887 0.000 1.165 245 G CA -0.126 44.730 45.100 -0.407 0.000 0.776 245 G HN 0.579 nan 8.290 nan 0.000 0.541 246 Q N 0.061 119.601 119.800 -0.434 0.000 2.945 246 Q HA 0.193 4.533 4.340 0.000 0.000 0.323 246 Q C -0.916 175.021 176.000 -0.106 0.000 1.188 246 Q CA -0.512 55.037 55.803 -0.423 0.000 0.929 246 Q CB 0.095 28.487 28.738 -0.576 0.000 1.531 246 Q HN 0.506 nan 8.270 nan 0.000 0.444 247 W N -0.201 120.865 121.300 -0.390 0.000 2.844 247 W HA 0.276 4.936 4.660 0.000 0.000 0.340 247 W C 0.295 176.637 176.519 -0.295 0.000 1.093 247 W CA -0.613 56.543 57.345 -0.316 0.000 1.212 247 W CB 1.689 30.887 29.460 -0.437 0.000 1.422 247 W HN 0.002 nan 8.180 nan 0.000 0.515 248 Q N 3.135 122.444 119.800 -0.818 0.000 2.353 248 Q HA 0.280 4.620 4.340 0.000 0.000 0.240 248 Q C 1.258 176.663 176.000 -0.992 0.000 0.868 248 Q CA 0.629 56.026 55.803 -0.676 0.000 0.944 248 Q CB 0.206 28.687 28.738 -0.429 0.000 1.104 248 Q HN 0.693 nan 8.270 nan 0.000 0.531 249 G N 1.900 109.603 108.800 -1.828 0.000 2.855 249 G HA2 -0.146 3.814 3.960 0.000 0.000 0.289 249 G HA3 -0.146 3.814 3.960 0.000 0.000 0.289 249 G C -0.159 174.248 174.900 -0.822 0.000 0.364 249 G CA 0.604 44.679 45.100 -1.707 0.000 1.168 249 G HN 0.316 nan 8.290 nan 0.000 0.195 250 L N 2.572 123.586 121.223 -0.347 0.000 2.694 250 L HA 0.934 5.274 4.340 0.000 0.000 0.198 250 L C 1.263 178.137 176.870 0.008 0.000 1.903 250 L CA -0.291 54.459 54.840 -0.150 0.000 2.945 250 L CB 0.280 42.276 42.059 -0.105 0.000 2.882 250 L HN 0.849 nan 8.230 nan 0.000 0.702 251 G N 0.000 108.814 108.800 0.024 0.000 5.446 251 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 251 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 251 G CA 0.000 nan 45.100 nan 0.000 0.502 251 G HN 0.000 nan 8.290 nan 0.000 0.925