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 1k20_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKILVFGHQN PDSDAIGSSY AFAYLAREAY GLDTEAVALG EPNEETAFVL DATA SEQUENCE DYFGVAAPRV ITSAKAEGAE QVILTDHNEF QQSVADIAEV EVYGVVDHHR DATA SEQUENCE VANFETANPL YMRLEPVGSA SSIVYRMFKE HSVAVSKEIA GLMLSGLISD DATA SEQUENCE TLLLKSPTTH PTDKAIAPEL AELAGVNLEE YGLAMLKAGT NLASKSAEEL DATA SEQUENCE IDIDAKTFEL NGNNVRVAQV NTVDIAEVLE RQAEIEAAIE KAIADNGYSD DATA SEQUENCE FVLMITDIIN SNSEILAIGS NMDKVEAAFN FVLENNHAFL AGAVSRKKQV DATA SEQUENCE VPQLTESFNA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.593 174.600 -0.012 0.000 1.055 2 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 2 S CB 0.000 63.205 63.200 0.008 0.000 0.593 3 K N 1.479 121.873 120.400 -0.009 0.000 2.295 3 K HA 0.380 4.700 4.320 -0.001 0.000 0.270 3 K C -0.429 176.164 176.600 -0.011 0.000 1.011 3 K CA -0.051 56.225 56.287 -0.019 0.000 0.953 3 K CB 0.498 32.993 32.500 -0.008 0.000 0.956 3 K HN 0.476 nan 8.250 nan 0.000 0.477 4 I N 4.414 124.959 120.570 -0.042 0.000 2.337 4 I HA 0.077 4.247 4.170 -0.001 0.000 0.291 4 I C 0.064 176.195 176.117 0.023 0.000 1.046 4 I CA -0.408 60.869 61.300 -0.038 0.000 1.324 4 I CB 0.380 38.289 38.000 -0.153 0.000 1.409 4 I HN 0.293 nan 8.210 nan 0.000 0.494 5 L N 7.270 128.554 121.223 0.103 0.000 2.367 5 L HA 0.334 4.674 4.340 -0.001 0.000 0.275 5 L C -0.329 176.652 176.870 0.185 0.000 1.129 5 L CA -0.510 54.455 54.840 0.207 0.000 0.839 5 L CB 0.928 43.199 42.059 0.353 0.000 1.133 5 L HN 0.308 nan 8.230 nan 0.000 0.453 6 V N 4.542 124.575 119.914 0.198 0.000 2.409 6 V HA 0.561 4.681 4.120 -0.001 0.000 0.291 6 V C -0.442 175.787 176.094 0.225 0.000 1.020 6 V CA -0.502 61.858 62.300 0.101 0.000 0.848 6 V CB 1.064 32.979 31.823 0.154 0.000 0.990 6 V HN 0.611 nan 8.190 nan 0.000 0.430 7 F N 1.906 121.948 119.950 0.153 0.000 2.693 7 F HA 0.939 5.465 4.527 -0.000 0.000 0.309 7 F C 0.260 176.168 175.800 0.179 0.000 1.129 7 F CA -0.810 57.271 58.000 0.135 0.000 0.948 7 F CB 1.081 40.138 39.000 0.095 0.000 1.315 7 F HN 0.630 nan 8.300 nan 0.000 0.447 8 G N -0.591 108.389 108.800 0.301 0.000 2.532 8 G HA2 0.502 4.462 3.960 -0.001 0.000 0.291 8 G HA3 0.502 4.462 3.960 -0.001 0.000 0.291 8 G C -0.996 173.814 174.900 -0.150 0.000 1.349 8 G CA -0.547 44.614 45.100 0.101 0.000 1.038 8 G HN 1.087 nan 8.290 nan 0.000 0.518 9 H N -1.618 117.234 119.070 -0.364 0.000 2.639 9 H HA 0.418 4.973 4.556 -0.000 0.000 0.373 9 H C 0.387 175.590 175.328 -0.209 0.000 1.372 9 H CA -0.479 55.229 56.048 -0.566 0.000 1.448 9 H CB 0.115 29.597 29.762 -0.467 0.000 1.544 9 H HN 0.423 nan 8.280 nan 0.000 0.615 10 Q N 0.307 120.118 119.800 0.018 0.000 2.432 10 Q HA 0.010 4.350 4.340 -0.001 0.000 0.264 10 Q C -0.126 175.956 176.000 0.137 0.000 1.035 10 Q CA -0.046 55.776 55.803 0.031 0.000 0.908 10 Q CB 0.202 28.944 28.738 0.006 0.000 1.280 10 Q HN 0.638 nan 8.270 nan 0.000 0.455 11 N N 0.618 119.365 118.700 0.078 0.000 2.696 11 N HA -0.120 4.620 4.740 -0.001 0.000 0.256 11 N C -2.558 173.038 175.510 0.143 0.000 1.031 11 N CA 0.416 53.526 53.050 0.100 0.000 0.730 11 N CB -1.155 37.390 38.487 0.096 0.000 0.894 11 N HN 0.433 nan 8.380 nan 0.000 0.544 12 P HA 0.031 nan 4.420 nan 0.000 0.266 12 P C 0.033 177.347 177.300 0.023 0.000 1.195 12 P CA 0.342 63.370 63.100 -0.121 0.000 0.768 12 P CB 0.722 32.346 31.700 -0.127 0.000 0.838 13 D N 0.459 120.891 120.400 0.054 0.000 2.588 13 D HA 0.181 4.820 4.640 -0.001 0.000 0.268 13 D C 1.199 177.547 176.300 0.079 0.000 1.176 13 D CA -0.771 53.293 54.000 0.108 0.000 1.080 13 D CB -0.329 40.577 40.800 0.177 0.000 1.186 13 D HN 0.122 nan 8.370 nan 0.000 0.619 14 S N -0.830 114.925 115.700 0.092 0.000 2.370 14 S HA -0.185 4.284 4.470 -0.001 0.000 0.226 14 S C 1.260 175.911 174.600 0.086 0.000 1.033 14 S CA 1.643 59.895 58.200 0.086 0.000 1.011 14 S CB -0.428 62.826 63.200 0.091 0.000 0.852 14 S HN 0.666 nan 8.310 nan 0.000 0.457 15 D N 1.251 121.715 120.400 0.107 0.000 2.144 15 D HA 0.028 4.668 4.640 -0.001 0.000 0.200 15 D C 1.972 178.342 176.300 0.116 0.000 0.978 15 D CA 1.127 55.194 54.000 0.112 0.000 0.833 15 D CB -0.306 40.583 40.800 0.148 0.000 0.961 15 D HN 0.299 nan 8.370 nan 0.000 0.470 16 A N 0.512 123.385 122.820 0.088 0.000 1.877 16 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 16 A C 2.221 179.832 177.584 0.046 0.000 1.186 16 A CA 1.115 53.153 52.037 0.002 0.000 0.620 16 A CB -0.591 18.223 19.000 -0.311 0.000 0.822 16 A HN 0.287 nan 8.150 nan 0.000 0.443 17 I N -0.166 120.433 120.570 0.049 0.000 2.202 17 I HA -0.148 4.021 4.170 -0.001 0.000 0.242 17 I C 2.721 178.913 176.117 0.125 0.000 1.091 17 I CA 1.542 62.891 61.300 0.081 0.000 1.368 17 I CB -2.004 36.027 38.000 0.052 0.000 1.058 17 I HN 0.350 nan 8.210 nan 0.000 0.410 18 G N 0.958 109.817 108.800 0.099 0.000 2.418 18 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 18 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 18 G C 1.817 176.825 174.900 0.180 0.000 1.158 18 G CA 1.336 46.502 45.100 0.110 0.000 0.771 18 G HN 0.521 nan 8.290 nan 0.000 0.545 19 S N 1.226 117.024 115.700 0.163 0.000 2.383 19 S HA -0.140 4.330 4.470 -0.001 0.000 0.227 19 S C 2.523 177.275 174.600 0.255 0.000 1.026 19 S CA 1.837 60.154 58.200 0.194 0.000 0.981 19 S CB -0.571 62.714 63.200 0.141 0.000 0.818 19 S HN 0.559 nan 8.310 nan 0.000 0.472 20 S N 0.479 116.319 115.700 0.235 0.000 2.387 20 S HA -0.074 4.395 4.470 -0.001 0.000 0.226 20 S C 1.778 176.554 174.600 0.293 0.000 1.026 20 S CA 0.741 59.095 58.200 0.256 0.000 0.972 20 S CB -1.133 62.201 63.200 0.224 0.000 0.814 20 S HN 0.585 nan 8.310 nan 0.000 0.477 21 Y N 2.763 123.161 120.300 0.164 0.000 2.145 21 Y HA 0.014 4.563 4.550 -0.001 0.000 0.286 21 Y C 2.696 178.712 175.900 0.193 0.000 1.145 21 Y CA 1.170 59.359 58.100 0.148 0.000 1.148 21 Y CB -0.922 37.596 38.460 0.097 0.000 0.981 21 Y HN 0.330 nan 8.280 nan 0.000 0.507 22 A N -0.519 122.513 122.820 0.354 0.000 1.898 22 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 22 A C 2.151 179.993 177.584 0.430 0.000 1.181 22 A CA 1.552 53.813 52.037 0.373 0.000 0.620 22 A CB -1.443 17.782 19.000 0.374 0.000 0.819 22 A HN 0.592 nan 8.150 nan 0.000 0.442 23 F N 0.828 120.911 119.950 0.223 0.000 2.234 23 F HA 0.030 4.557 4.527 0.000 0.000 0.299 23 F C 2.497 178.326 175.800 0.048 0.000 1.087 23 F CA 0.665 58.743 58.000 0.131 0.000 1.340 23 F CB -0.335 38.730 39.000 0.110 0.000 1.031 23 F HN 0.249 nan 8.300 nan 0.000 0.500 24 A N -0.622 122.234 122.820 0.061 0.000 1.908 24 A HA -0.279 4.041 4.320 -0.001 0.000 0.218 24 A C 2.111 179.591 177.584 -0.173 0.000 1.181 24 A CA 1.853 53.848 52.037 -0.069 0.000 0.627 24 A CB -1.597 17.396 19.000 -0.012 0.000 0.818 24 A HN 0.587 nan 8.150 nan 0.000 0.445 25 Y N -0.254 119.910 120.300 -0.227 0.000 2.163 25 Y HA -0.109 4.440 4.550 -0.001 0.000 0.288 25 Y C 2.029 177.731 175.900 -0.329 0.000 1.136 25 Y CA 1.742 59.712 58.100 -0.216 0.000 1.147 25 Y CB -0.303 38.094 38.460 -0.105 0.000 0.987 25 Y HN 0.241 nan 8.280 nan 0.000 0.509 26 L N 0.862 121.895 121.223 -0.317 0.000 2.042 26 L HA -0.114 4.226 4.340 -0.001 0.000 0.210 26 L C 2.426 178.745 176.870 -0.919 0.000 1.076 26 L CA 2.215 56.564 54.840 -0.817 0.000 0.749 26 L CB -1.348 40.068 42.059 -1.070 0.000 0.893 26 L HN 0.276 nan 8.230 nan 0.000 0.432 27 A N -0.624 121.666 122.820 -0.884 0.000 1.972 27 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 27 A C 2.424 179.718 177.584 -0.483 0.000 1.169 27 A CA 1.714 53.360 52.037 -0.652 0.000 0.635 27 A CB -0.504 18.167 19.000 -0.548 0.000 0.810 27 A HN 0.523 nan 8.150 nan 0.000 0.446 28 R N -0.650 119.557 120.500 -0.488 0.000 2.057 28 R HA -0.063 4.277 4.340 -0.001 0.000 0.229 28 R C 2.067 178.095 176.300 -0.453 0.000 1.136 28 R CA 1.298 57.153 56.100 -0.410 0.000 0.952 28 R CB -0.256 29.802 30.300 -0.403 0.000 0.848 28 R HN 0.494 nan 8.270 nan 0.000 0.430 29 E N 0.470 120.306 120.200 -0.606 0.000 2.072 29 E HA -0.100 4.249 4.350 -0.001 0.000 0.190 29 E C 1.839 178.144 176.600 -0.491 0.000 0.982 29 E CA 1.362 57.443 56.400 -0.531 0.000 0.803 29 E CB -0.064 29.278 29.700 -0.597 0.000 0.755 29 E HN 0.313 nan 8.360 nan 0.000 0.453 30 A N -0.056 122.336 122.820 -0.714 0.000 1.984 30 A HA -0.025 4.295 4.320 -0.001 0.000 0.214 30 A C 1.247 178.383 177.584 -0.747 0.000 1.173 30 A CA 0.563 52.084 52.037 -0.859 0.000 0.673 30 A CB -0.182 17.984 19.000 -1.390 0.000 0.830 30 A HN 0.168 nan 8.150 nan 0.000 0.453 31 Y N -1.019 119.041 120.300 -0.401 0.000 2.481 31 Y HA 0.406 4.956 4.550 -0.001 0.000 0.247 31 Y C 1.688 177.449 175.900 -0.232 0.000 1.151 31 Y CA -0.682 57.234 58.100 -0.307 0.000 1.238 31 Y CB -0.362 37.902 38.460 -0.326 0.000 1.179 31 Y HN 0.359 nan 8.280 nan 0.000 0.524 32 G N 1.204 109.912 108.800 -0.153 0.000 2.225 32 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.267 32 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.267 32 G C -0.049 174.778 174.900 -0.122 0.000 1.024 32 G CA 0.193 45.212 45.100 -0.135 0.000 0.784 32 G HN 0.297 nan 8.290 nan 0.000 0.507 33 L N -0.153 120.982 121.223 -0.147 0.000 2.375 33 L HA 0.399 4.739 4.340 -0.001 0.000 0.271 33 L C 0.459 177.228 176.870 -0.169 0.000 1.107 33 L CA -0.753 53.987 54.840 -0.166 0.000 0.806 33 L CB 0.980 42.909 42.059 -0.217 0.000 1.146 33 L HN 0.064 nan 8.230 nan 0.000 0.447 34 D N 1.884 122.196 120.400 -0.146 0.000 2.558 34 D HA 0.103 4.743 4.640 -0.001 0.000 0.221 34 D C -0.033 176.200 176.300 -0.111 0.000 1.143 34 D CA -0.219 53.711 54.000 -0.116 0.000 1.010 34 D CB 0.223 40.972 40.800 -0.085 0.000 1.068 34 D HN 0.557 nan 8.370 nan 0.000 0.511 35 T N -0.133 114.347 114.554 -0.123 0.000 2.927 35 T HA 0.607 4.956 4.350 -0.001 0.000 0.281 35 T C -0.072 174.597 174.700 -0.051 0.000 0.998 35 T CA -0.980 61.065 62.100 -0.092 0.000 1.019 35 T CB 2.159 70.957 68.868 -0.117 0.000 1.061 35 T HN 0.262 nan 8.240 nan 0.000 0.518 36 E N -0.121 120.076 120.200 -0.004 0.000 2.307 36 E HA 0.518 4.868 4.350 -0.001 0.000 0.280 36 E C -1.246 175.402 176.600 0.079 0.000 0.900 36 E CA -0.985 55.431 56.400 0.026 0.000 0.790 36 E CB 1.682 31.404 29.700 0.036 0.000 1.261 36 E HN 1.007 nan 8.360 nan 0.000 0.405 37 A N 3.245 126.115 122.820 0.083 0.000 2.366 37 A HA 0.599 4.919 4.320 -0.001 0.000 0.272 37 A C 0.001 177.689 177.584 0.173 0.000 1.135 37 A CA -0.132 51.996 52.037 0.151 0.000 0.804 37 A CB 0.424 19.519 19.000 0.158 0.000 1.064 37 A HN 0.587 nan 8.150 nan 0.000 0.499 38 V N -1.416 118.625 119.914 0.212 0.000 3.182 38 V HA 1.013 5.133 4.120 -0.001 0.000 0.308 38 V C -0.098 176.096 176.094 0.166 0.000 1.240 38 V CA -0.397 61.998 62.300 0.158 0.000 1.063 38 V CB 1.225 33.112 31.823 0.108 0.000 1.076 38 V HN 1.872 nan 8.190 nan 0.000 0.446 39 A N 0.109 122.973 122.820 0.073 0.000 2.479 39 A HA 0.873 5.193 4.320 -0.001 0.000 0.296 39 A C -0.202 177.352 177.584 -0.050 0.000 1.121 39 A CA -0.726 51.338 52.037 0.045 0.000 0.743 39 A CB 1.802 20.829 19.000 0.045 0.000 1.323 39 A HN 1.065 nan 8.150 nan 0.000 0.415 40 L N 0.472 121.656 121.223 -0.064 0.000 2.693 40 L HA 0.427 4.767 4.340 -0.001 0.000 0.235 40 L C 0.919 177.759 176.870 -0.051 0.000 1.127 40 L CA 0.601 55.379 54.840 -0.104 0.000 0.914 40 L CB 0.266 42.251 42.059 -0.124 0.000 1.193 40 L HN 0.863 nan 8.230 nan 0.000 0.502 41 G N -0.885 107.900 108.800 -0.025 0.000 2.623 41 G HA2 0.346 4.306 3.960 -0.001 0.000 0.290 41 G HA3 0.346 4.306 3.960 -0.001 0.000 0.290 41 G C -1.299 173.606 174.900 0.008 0.000 1.437 41 G CA -0.588 44.510 45.100 -0.004 0.000 0.798 41 G HN -0.211 nan 8.290 nan 0.000 0.488 42 E N 0.217 120.427 120.200 0.016 0.000 2.390 42 E HA 0.311 4.661 4.350 -0.001 0.000 0.261 42 E C -2.097 174.521 176.600 0.030 0.000 1.076 42 E CA -1.170 55.244 56.400 0.022 0.000 0.905 42 E CB 0.760 30.474 29.700 0.023 0.000 0.984 42 E HN 0.130 nan 8.360 nan 0.000 0.427 43 P HA 0.022 nan 4.420 nan 0.000 0.271 43 P C -0.324 177.005 177.300 0.049 0.000 1.218 43 P CA -0.230 62.896 63.100 0.043 0.000 0.780 43 P CB 0.453 32.181 31.700 0.047 0.000 0.901 44 N N 0.848 119.582 118.700 0.055 0.000 2.418 44 N HA 0.074 4.813 4.740 -0.001 0.000 0.283 44 N C 0.879 176.427 175.510 0.063 0.000 1.267 44 N CA -0.253 52.831 53.050 0.055 0.000 0.975 44 N CB -0.057 38.464 38.487 0.056 0.000 1.167 44 N HN 0.214 nan 8.380 nan 0.000 0.581 45 E N -0.176 120.059 120.200 0.057 0.000 2.097 45 E HA -0.279 4.071 4.350 -0.001 0.000 0.196 45 E C 1.279 177.932 176.600 0.088 0.000 1.000 45 E CA 1.367 57.807 56.400 0.067 0.000 0.804 45 E CB -0.318 29.410 29.700 0.046 0.000 0.740 45 E HN 0.839 nan 8.360 nan 0.000 0.454 46 E N 0.232 120.467 120.200 0.059 0.000 2.051 46 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 46 E C 1.804 178.486 176.600 0.137 0.000 0.991 46 E CA 1.633 58.063 56.400 0.050 0.000 0.799 46 E CB 0.095 29.799 29.700 0.008 0.000 0.748 46 E HN 0.140 nan 8.360 nan 0.000 0.449 47 T N 0.618 115.243 114.554 0.118 0.000 2.867 47 T HA -0.053 4.297 4.350 -0.001 0.000 0.268 47 T C 1.834 176.623 174.700 0.148 0.000 1.057 47 T CA 0.990 63.169 62.100 0.131 0.000 1.136 47 T CB -0.197 68.724 68.868 0.089 0.000 0.874 47 T HN 0.313 nan 8.240 nan 0.000 0.466 48 A N 1.175 124.076 122.820 0.135 0.000 1.933 48 A HA -0.042 4.278 4.320 -0.001 0.000 0.218 48 A C 1.978 179.657 177.584 0.158 0.000 1.175 48 A CA 1.282 53.389 52.037 0.118 0.000 0.628 48 A CB -0.940 18.119 19.000 0.098 0.000 0.814 48 A HN 0.503 nan 8.150 nan 0.000 0.444 49 F N 0.710 120.694 119.950 0.057 0.000 2.134 49 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 49 F C 2.186 178.073 175.800 0.144 0.000 1.097 49 F CA 1.930 59.975 58.000 0.074 0.000 1.264 49 F CB -0.325 38.695 39.000 0.032 0.000 1.001 49 F HN 0.028 nan 8.300 nan 0.000 0.479 50 V N 1.028 121.195 119.914 0.423 0.000 2.261 50 V HA -0.324 3.795 4.120 -0.001 0.000 0.246 50 V C 2.513 178.790 176.094 0.305 0.000 1.047 50 V CA 2.160 64.717 62.300 0.428 0.000 1.015 50 V CB -0.842 31.203 31.823 0.369 0.000 0.642 50 V HN 0.392 nan 8.190 nan 0.000 0.446 51 L N 0.148 121.472 121.223 0.169 0.000 2.046 51 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 51 L C 2.512 179.410 176.870 0.047 0.000 1.077 51 L CA 2.108 57.000 54.840 0.087 0.000 0.747 51 L CB -0.749 41.329 42.059 0.031 0.000 0.896 51 L HN 0.485 nan 8.230 nan 0.000 0.432 52 D N -0.557 119.840 120.400 -0.005 0.000 2.144 52 D HA -0.258 4.381 4.640 -0.001 0.000 0.200 52 D C 2.118 178.316 176.300 -0.169 0.000 0.978 52 D CA 1.066 55.013 54.000 -0.088 0.000 0.833 52 D CB 0.077 40.804 40.800 -0.121 0.000 0.961 52 D HN 0.320 nan 8.370 nan 0.000 0.470 53 Y N 0.058 120.145 120.300 -0.356 0.000 2.181 53 Y HA -0.160 4.390 4.550 0.000 0.000 0.288 53 Y C 1.520 177.054 175.900 -0.610 0.000 1.146 53 Y CA 1.654 59.424 58.100 -0.550 0.000 1.164 53 Y CB -0.344 37.715 38.460 -0.667 0.000 0.982 53 Y HN -0.082 nan 8.280 nan 0.000 0.515 54 F N -0.524 119.482 119.950 0.094 0.000 2.727 54 F HA 0.309 4.836 4.527 -0.001 0.000 0.302 54 F C 1.584 177.354 175.800 -0.051 0.000 1.097 54 F CA 0.396 58.407 58.000 0.020 0.000 1.330 54 F CB 0.144 39.153 39.000 0.015 0.000 1.084 54 F HN 0.049 nan 8.300 nan 0.000 0.578 55 G N 1.634 110.451 108.800 0.029 0.000 2.314 55 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.292 55 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.292 55 G C -0.467 174.442 174.900 0.014 0.000 1.059 55 G CA 0.068 45.166 45.100 -0.003 0.000 0.982 55 G HN 0.171 nan 8.290 nan 0.000 0.505 56 V N 0.074 119.989 119.914 0.001 0.000 2.495 56 V HA 0.820 4.939 4.120 -0.001 0.000 0.298 56 V C 0.768 176.827 176.094 -0.058 0.000 1.031 56 V CA -0.509 61.754 62.300 -0.061 0.000 0.871 56 V CB 1.751 33.446 31.823 -0.214 0.000 0.988 56 V HN 1.187 nan 8.190 nan 0.000 0.432 57 A N 3.568 126.372 122.820 -0.027 0.000 2.388 57 A HA 0.745 5.065 4.320 -0.001 0.000 0.257 57 A C 0.665 178.242 177.584 -0.012 0.000 1.095 57 A CA 0.159 52.196 52.037 -0.001 0.000 0.791 57 A CB 0.410 19.430 19.000 0.034 0.000 1.029 57 A HN 1.433 nan 8.150 nan 0.000 0.489 58 A N 3.637 126.459 122.820 0.003 0.000 2.511 58 A HA 0.512 4.832 4.320 -0.001 0.000 0.242 58 A C -2.088 175.526 177.584 0.051 0.000 1.069 58 A CA -0.872 51.173 52.037 0.014 0.000 0.763 58 A CB -0.779 18.234 19.000 0.022 0.000 1.001 58 A HN 0.670 nan 8.150 nan 0.000 0.498 59 P HA 0.139 nan 4.420 nan 0.000 0.266 59 P C -0.093 177.255 177.300 0.079 0.000 1.195 59 P CA -0.066 63.109 63.100 0.124 0.000 0.768 59 P CB 0.441 32.242 31.700 0.168 0.000 0.838 60 R N 1.543 122.087 120.500 0.073 0.000 2.679 60 R HA 0.198 4.538 4.340 -0.001 0.000 0.268 60 R C -0.816 175.500 176.300 0.027 0.000 1.044 60 R CA -0.482 55.644 56.100 0.043 0.000 1.105 60 R CB -0.142 30.181 30.300 0.039 0.000 0.989 60 R HN 0.132 nan 8.270 nan 0.000 0.447 61 V N 5.299 125.218 119.914 0.008 0.000 2.498 61 V HA 0.295 4.415 4.120 -0.001 0.000 0.279 61 V C 0.669 176.741 176.094 -0.036 0.000 1.048 61 V CA -0.483 61.807 62.300 -0.016 0.000 0.967 61 V CB 0.763 32.578 31.823 -0.013 0.000 0.988 61 V HN 0.775 nan 8.190 nan 0.000 0.473 62 I N 1.959 122.483 120.570 -0.077 0.000 2.957 62 I HA 0.754 4.923 4.170 -0.001 0.000 0.310 62 I C 0.671 176.716 176.117 -0.120 0.000 1.063 62 I CA -0.461 60.782 61.300 -0.096 0.000 1.033 62 I CB 2.494 40.416 38.000 -0.129 0.000 1.230 62 I HN 0.602 nan 8.210 nan 0.000 0.447 63 T N -1.665 112.829 114.554 -0.100 0.000 2.969 63 T HA 0.228 4.578 4.350 -0.001 0.000 0.258 63 T C 0.548 175.191 174.700 -0.095 0.000 0.962 63 T CA 0.195 62.239 62.100 -0.092 0.000 0.903 63 T CB 0.022 68.857 68.868 -0.055 0.000 1.177 63 T HN 0.665 nan 8.240 nan 0.000 0.511 64 S N 0.120 115.765 115.700 -0.091 0.000 2.736 64 S HA 0.698 5.168 4.470 -0.001 0.000 0.285 64 S C 1.037 175.596 174.600 -0.067 0.000 1.163 64 S CA -0.070 58.087 58.200 -0.071 0.000 1.025 64 S CB 1.212 64.388 63.200 -0.040 0.000 1.030 64 S HN 0.425 nan 8.310 nan 0.000 0.486 65 A N 5.441 128.222 122.820 -0.065 0.000 1.933 65 A HA -0.008 4.312 4.320 -0.001 0.000 0.218 65 A C 2.087 179.674 177.584 0.005 0.000 1.175 65 A CA 1.148 53.174 52.037 -0.019 0.000 0.628 65 A CB -0.381 18.643 19.000 0.041 0.000 0.814 65 A HN 0.733 nan 8.150 nan 0.000 0.444 66 K N -0.031 120.370 120.400 0.001 0.000 2.097 66 K HA -0.018 4.301 4.320 -0.001 0.000 0.206 66 K C 2.166 178.767 176.600 0.002 0.000 1.049 66 K CA 1.284 57.574 56.287 0.006 0.000 0.933 66 K CB -0.810 31.693 32.500 0.005 0.000 0.717 66 K HN 0.455 nan 8.250 nan 0.000 0.442 67 A N 1.686 124.501 122.820 -0.007 0.000 2.019 67 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 67 A C 1.716 179.297 177.584 -0.005 0.000 1.164 67 A CA 1.244 53.276 52.037 -0.008 0.000 0.644 67 A CB -0.139 18.852 19.000 -0.015 0.000 0.805 67 A HN 0.201 nan 8.150 nan 0.000 0.449 68 E N -1.284 118.914 120.200 -0.004 0.000 2.481 68 E HA 0.133 4.483 4.350 -0.001 0.000 0.195 68 E C 1.298 177.904 176.600 0.010 0.000 1.047 68 E CA 0.714 57.115 56.400 0.003 0.000 0.867 68 E CB -0.186 29.517 29.700 0.004 0.000 0.858 68 E HN 0.808 nan 8.360 nan 0.000 0.513 69 G N 1.144 109.951 108.800 0.011 0.000 2.141 69 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.242 69 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.242 69 G C 0.468 175.381 174.900 0.021 0.000 0.982 69 G CA 0.218 45.326 45.100 0.014 0.000 0.662 69 G HN 0.519 nan 8.290 nan 0.000 0.527 70 A N -0.410 122.428 122.820 0.030 0.000 2.340 70 A HA 0.758 5.078 4.320 -0.001 0.000 0.268 70 A C 0.915 178.526 177.584 0.045 0.000 1.100 70 A CA 0.732 52.794 52.037 0.043 0.000 0.803 70 A CB 0.498 19.541 19.000 0.070 0.000 1.043 70 A HN 0.419 nan 8.150 nan 0.000 0.488 71 E N -0.129 120.100 120.200 0.048 0.000 2.453 71 E HA 0.064 4.414 4.350 -0.001 0.000 0.211 71 E C -0.271 176.372 176.600 0.071 0.000 0.897 71 E CA 0.296 56.727 56.400 0.051 0.000 1.063 71 E CB 0.535 30.261 29.700 0.043 0.000 1.080 71 E HN 0.803 nan 8.360 nan 0.000 0.512 72 Q N 0.744 120.591 119.800 0.078 0.000 2.397 72 Q HA 0.518 4.858 4.340 -0.001 0.000 0.275 72 Q C -1.015 175.047 176.000 0.104 0.000 1.090 72 Q CA -0.860 55.007 55.803 0.107 0.000 0.809 72 Q CB 3.381 32.191 28.738 0.121 0.000 1.362 72 Q HN -0.017 nan 8.270 nan 0.000 0.431 73 V N -1.584 118.402 119.914 0.120 0.000 3.078 73 V HA 0.741 4.861 4.120 -0.001 0.000 0.311 73 V C -1.086 175.024 176.094 0.027 0.000 1.138 73 V CA -0.886 61.458 62.300 0.073 0.000 1.007 73 V CB 2.030 33.917 31.823 0.106 0.000 1.045 73 V HN 0.762 nan 8.190 nan 0.000 0.432 74 I N 2.947 123.464 120.570 -0.089 0.000 2.447 74 I HA 0.476 4.645 4.170 -0.001 0.000 0.287 74 I C -0.750 175.197 176.117 -0.284 0.000 1.023 74 I CA -0.505 60.767 61.300 -0.047 0.000 1.083 74 I CB 1.898 39.969 38.000 0.120 0.000 1.245 74 I HN 0.497 nan 8.210 nan 0.000 0.434 75 L N 5.851 126.903 121.223 -0.285 0.000 2.307 75 L HA 0.599 4.939 4.340 -0.001 0.000 0.282 75 L C 0.266 177.005 176.870 -0.219 0.000 1.051 75 L CA -0.471 54.140 54.840 -0.382 0.000 0.804 75 L CB 1.562 43.296 42.059 -0.541 0.000 1.197 75 L HN 0.588 nan 8.230 nan 0.000 0.431 76 T N -2.727 111.799 114.554 -0.048 0.000 2.887 76 T HA 0.376 4.725 4.350 -0.001 0.000 0.288 76 T C 0.123 174.969 174.700 0.243 0.000 1.021 76 T CA -0.516 61.602 62.100 0.030 0.000 1.000 76 T CB 1.970 70.863 68.868 0.043 0.000 1.034 76 T HN 0.681 nan 8.240 nan 0.000 0.467 77 D N 0.646 121.208 120.400 0.268 0.000 3.077 77 D HA -0.194 4.446 4.640 -0.001 0.000 0.217 77 D C 0.045 176.659 176.300 0.523 0.000 1.162 77 D CA 2.457 56.742 54.000 0.474 0.000 0.943 77 D CB -1.375 39.682 40.800 0.429 0.000 1.122 77 D HN 1.155 nan 8.370 nan 0.000 0.413 78 H N -2.566 116.604 119.070 0.167 0.000 2.987 78 H HA 0.446 5.001 4.556 -0.001 0.000 0.316 78 H C 0.283 175.619 175.328 0.013 0.000 1.380 78 H CA -0.001 56.075 56.048 0.048 0.000 1.160 78 H CB 0.209 30.026 29.762 0.092 0.000 1.865 78 H HN 0.063 nan 8.280 nan 0.000 0.521 79 N N -0.687 117.947 118.700 -0.111 0.000 2.026 79 N HA 0.023 4.763 4.740 -0.001 0.000 0.239 79 N C -0.966 174.675 175.510 0.219 0.000 1.283 79 N CA -0.311 52.633 53.050 -0.177 0.000 0.816 79 N CB 0.688 38.913 38.487 -0.437 0.000 1.263 79 N HN 0.491 nan 8.380 nan 0.000 0.470 80 E N 0.668 120.988 120.200 0.199 0.000 2.415 80 E HA 0.001 4.351 4.350 -0.001 0.000 0.260 80 E C -0.258 176.594 176.600 0.421 0.000 1.016 80 E CA -0.315 56.239 56.400 0.257 0.000 0.924 80 E CB 0.418 30.162 29.700 0.073 0.000 0.961 80 E HN 0.180 nan 8.360 nan 0.000 0.459 81 F N 2.309 122.354 119.950 0.157 0.000 2.154 81 F HA -0.238 4.288 4.527 -0.000 0.000 0.301 81 F C 2.632 178.495 175.800 0.104 0.000 1.087 81 F CA 1.461 59.546 58.000 0.143 0.000 1.274 81 F CB -0.487 38.566 39.000 0.089 0.000 1.009 81 F HN 0.509 nan 8.300 nan 0.000 0.485 82 Q N 0.710 120.652 119.800 0.236 0.000 2.488 82 Q HA -0.172 4.168 4.340 -0.001 0.000 0.211 82 Q C 1.112 177.137 176.000 0.042 0.000 0.967 82 Q CA 1.179 57.046 55.803 0.107 0.000 0.926 82 Q CB -0.706 28.061 28.738 0.049 0.000 0.992 82 Q HN 0.530 nan 8.270 nan 0.000 0.506 83 Q N -0.018 119.819 119.800 0.062 0.000 2.282 83 Q HA 0.226 4.565 4.340 -0.001 0.000 0.206 83 Q C 0.432 176.457 176.000 0.041 0.000 0.878 83 Q CA -0.134 55.663 55.803 -0.010 0.000 0.944 83 Q CB 0.981 29.669 28.738 -0.083 0.000 1.100 83 Q HN 0.204 nan 8.270 nan 0.000 0.509 84 S N -0.548 115.256 115.700 0.173 0.000 2.623 84 S HA 0.340 4.809 4.470 -0.001 0.000 0.287 84 S C -0.236 174.431 174.600 0.111 0.000 1.123 84 S CA -0.691 57.662 58.200 0.256 0.000 1.016 84 S CB 1.050 64.518 63.200 0.446 0.000 1.233 84 S HN 0.093 nan 8.310 nan 0.000 0.512 85 V N 2.244 122.227 119.914 0.115 0.000 2.843 85 V HA 0.360 4.479 4.120 -0.001 0.000 0.305 85 V C 1.516 177.589 176.094 -0.035 0.000 1.065 85 V CA 0.715 62.969 62.300 -0.076 0.000 1.116 85 V CB 0.777 32.452 31.823 -0.246 0.000 0.968 85 V HN 1.002 nan 8.190 nan 0.000 0.487 86 A N 4.311 127.102 122.820 -0.048 0.000 1.927 86 A HA -0.166 4.154 4.320 -0.001 0.000 0.220 86 A C 1.324 178.897 177.584 -0.020 0.000 1.185 86 A CA 1.980 54.003 52.037 -0.023 0.000 0.639 86 A CB -0.533 18.452 19.000 -0.024 0.000 0.820 86 A HN 1.087 nan 8.150 nan 0.000 0.451 87 D N -0.954 119.427 120.400 -0.032 0.000 2.587 87 D HA 0.161 4.800 4.640 -0.001 0.000 0.233 87 D C 0.813 177.086 176.300 -0.045 0.000 1.213 87 D CA -0.442 53.543 54.000 -0.025 0.000 0.827 87 D CB -0.423 40.368 40.800 -0.016 0.000 1.006 87 D HN 0.271 nan 8.370 nan 0.000 0.490 88 I N 1.090 121.602 120.570 -0.096 0.000 2.423 88 I HA -0.165 4.005 4.170 -0.001 0.000 0.254 88 I C 2.008 177.952 176.117 -0.288 0.000 1.151 88 I CA 1.039 62.206 61.300 -0.222 0.000 1.421 88 I CB -0.206 37.531 38.000 -0.439 0.000 1.079 88 I HN 0.153 nan 8.210 nan 0.000 0.431 89 A N -0.435 122.294 122.820 -0.152 0.000 2.119 89 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 89 A C 1.995 179.592 177.584 0.022 0.000 1.153 89 A CA 1.259 53.305 52.037 0.015 0.000 0.692 89 A CB -0.624 18.452 19.000 0.127 0.000 0.799 89 A HN 0.629 nan 8.150 nan 0.000 0.458 90 E N -0.312 119.887 120.200 -0.002 0.000 2.474 90 E HA 0.167 4.517 4.350 -0.001 0.000 0.195 90 E C 0.045 176.655 176.600 0.017 0.000 1.039 90 E CA 0.234 56.642 56.400 0.013 0.000 0.881 90 E CB 0.302 30.009 29.700 0.011 0.000 0.970 90 E HN 0.557 nan 8.360 nan 0.000 0.486 91 V N -1.699 118.222 119.914 0.012 0.000 3.074 91 V HA 0.403 4.522 4.120 -0.001 0.000 0.314 91 V C -0.449 175.668 176.094 0.038 0.000 1.117 91 V CA -1.322 60.999 62.300 0.034 0.000 1.014 91 V CB 2.096 33.953 31.823 0.056 0.000 1.057 91 V HN -0.013 nan 8.190 nan 0.000 0.438 92 E N 1.026 121.264 120.200 0.063 0.000 2.259 92 E HA 0.484 4.833 4.350 -0.001 0.000 0.281 92 E C -1.174 175.490 176.600 0.106 0.000 1.027 92 E CA -0.658 55.788 56.400 0.077 0.000 0.838 92 E CB 1.835 31.590 29.700 0.092 0.000 1.066 92 E HN 0.653 nan 8.360 nan 0.000 0.401 93 V N 6.694 126.670 119.914 0.102 0.000 2.356 93 V HA -0.025 4.095 4.120 -0.001 0.000 0.258 93 V C 0.409 176.614 176.094 0.185 0.000 1.065 93 V CA -0.090 62.299 62.300 0.148 0.000 0.935 93 V CB 0.059 32.004 31.823 0.202 0.000 1.061 93 V HN 0.787 nan 8.190 nan 0.000 0.484 94 Y N 5.039 125.393 120.300 0.090 0.000 2.263 94 Y HA 0.330 4.880 4.550 -0.001 0.000 0.292 94 Y C 1.236 177.241 175.900 0.175 0.000 1.130 94 Y CA 1.282 59.455 58.100 0.121 0.000 1.179 94 Y CB 0.359 38.879 38.460 0.100 0.000 0.998 94 Y HN 0.617 nan 8.280 nan 0.000 0.532 95 G N -1.139 107.850 108.800 0.316 0.000 2.623 95 G HA2 0.522 4.481 3.960 -0.001 0.000 0.290 95 G HA3 0.522 4.481 3.960 -0.001 0.000 0.290 95 G C -2.285 172.663 174.900 0.081 0.000 1.437 95 G CA -0.442 44.794 45.100 0.226 0.000 0.798 95 G HN -0.044 nan 8.290 nan 0.000 0.488 96 V N -0.233 119.672 119.914 -0.014 0.000 2.733 96 V HA 0.634 4.754 4.120 -0.001 0.000 0.306 96 V C -0.706 175.273 176.094 -0.191 0.000 1.084 96 V CA -0.699 61.515 62.300 -0.144 0.000 0.905 96 V CB 1.929 33.614 31.823 -0.230 0.000 1.010 96 V HN 0.718 nan 8.190 nan 0.000 0.424 97 V N 3.516 123.283 119.914 -0.246 0.000 2.443 97 V HA 0.728 4.847 4.120 -0.001 0.000 0.293 97 V C -0.833 175.204 176.094 -0.095 0.000 1.021 97 V CA -0.132 62.024 62.300 -0.240 0.000 0.848 97 V CB 1.660 33.204 31.823 -0.465 0.000 0.998 97 V HN 0.996 nan 8.190 nan 0.000 0.424 98 D N 1.626 122.011 120.400 -0.024 0.000 2.639 98 D HA 0.447 5.086 4.640 -0.001 0.000 0.271 98 D C -0.259 176.126 176.300 0.141 0.000 1.254 98 D CA -0.394 53.673 54.000 0.113 0.000 0.810 98 D CB 1.808 42.646 40.800 0.064 0.000 1.351 98 D HN 0.783 nan 8.370 nan 0.000 0.427 99 H N -1.876 117.158 119.070 -0.059 0.000 2.865 99 H HA 0.462 5.017 4.556 -0.001 0.000 0.247 99 H C -0.440 174.722 175.328 -0.277 0.000 1.181 99 H CA -0.480 55.467 56.048 -0.168 0.000 0.975 99 H CB -0.128 29.517 29.762 -0.194 0.000 1.899 99 H HN 0.087 nan 8.280 nan 0.000 0.651 100 H N 0.473 119.433 119.070 -0.184 0.000 2.630 100 H HA 0.436 4.992 4.556 -0.000 0.000 0.343 100 H C 0.148 175.430 175.328 -0.077 0.000 1.232 100 H CA -1.226 54.720 56.048 -0.170 0.000 1.294 100 H CB 0.960 30.638 29.762 -0.139 0.000 1.746 100 H HN 0.348 nan 8.280 nan 0.000 0.593 101 R N -0.226 120.334 120.500 0.101 0.000 2.679 101 R HA 0.376 4.716 4.340 -0.001 0.000 0.269 101 R C -1.180 175.149 176.300 0.048 0.000 1.076 101 R CA -0.449 55.680 56.100 0.049 0.000 1.160 101 R CB -0.011 30.312 30.300 0.039 0.000 1.054 101 R HN 0.246 nan 8.270 nan 0.000 0.507 102 V N 0.823 120.747 119.914 0.017 0.000 2.435 102 V HA 0.832 4.951 4.120 -0.001 0.000 0.290 102 V C -0.120 175.997 176.094 0.038 0.000 1.030 102 V CA 0.148 62.450 62.300 0.003 0.000 0.881 102 V CB 0.877 32.683 31.823 -0.030 0.000 0.983 102 V HN 1.065 nan 8.190 nan 0.000 0.445 103 A N 3.546 126.403 122.820 0.062 0.000 2.597 103 A HA 0.606 4.925 4.320 -0.001 0.000 0.292 103 A C -0.098 177.527 177.584 0.068 0.000 1.057 103 A CA -0.664 51.409 52.037 0.061 0.000 0.674 103 A CB 0.967 20.004 19.000 0.063 0.000 1.278 103 A HN 0.829 nan 8.150 nan 0.000 0.416 104 N N -1.017 117.687 118.700 0.007 0.000 2.716 104 N HA -0.193 4.547 4.740 -0.001 0.000 0.250 104 N C -0.771 174.625 175.510 -0.191 0.000 1.033 104 N CA 2.000 55.004 53.050 -0.076 0.000 0.727 104 N CB -1.092 37.391 38.487 -0.008 0.000 0.950 104 N HN 0.950 nan 8.380 nan 0.000 0.541 105 F N 0.904 120.647 119.950 -0.346 0.000 2.557 105 F HA 0.412 4.939 4.527 -0.000 0.000 0.316 105 F C -0.621 174.968 175.800 -0.352 0.000 1.141 105 F CA -0.657 57.088 58.000 -0.425 0.000 0.922 105 F CB 1.336 40.282 39.000 -0.091 0.000 1.194 105 F HN 0.143 nan 8.300 nan 0.000 0.443 106 E N 2.834 122.361 120.200 -1.123 0.000 2.392 106 E HA 0.654 5.003 4.350 -0.001 0.000 0.279 106 E C -1.773 174.478 176.600 -0.582 0.000 0.964 106 E CA -1.104 54.899 56.400 -0.663 0.000 0.777 106 E CB 2.403 31.863 29.700 -0.399 0.000 1.249 106 E HN 0.520 nan 8.360 nan 0.000 0.449 107 T N -2.256 112.098 114.554 -0.334 0.000 2.896 107 T HA 0.681 5.031 4.350 -0.001 0.000 0.297 107 T C 0.371 175.009 174.700 -0.103 0.000 1.108 107 T CA -0.288 61.701 62.100 -0.185 0.000 1.004 107 T CB 1.676 70.462 68.868 -0.137 0.000 1.159 107 T HN 0.606 nan 8.240 nan 0.000 0.499 108 A N 1.386 124.170 122.820 -0.061 0.000 2.044 108 A HA 0.326 4.646 4.320 -0.001 0.000 0.213 108 A C 0.899 178.458 177.584 -0.041 0.000 1.169 108 A CA 0.129 52.139 52.037 -0.044 0.000 0.724 108 A CB -0.324 18.661 19.000 -0.026 0.000 0.840 108 A HN 0.800 nan 8.150 nan 0.000 0.463 109 N N -0.275 118.399 118.700 -0.043 0.000 2.381 109 N HA 0.450 5.190 4.740 -0.001 0.000 0.294 109 N C -3.081 172.391 175.510 -0.064 0.000 1.216 109 N CA -1.375 51.646 53.050 -0.049 0.000 0.803 109 N CB 0.741 39.202 38.487 -0.044 0.000 1.372 109 N HN -0.116 nan 8.380 nan 0.000 0.500 110 P HA 0.225 nan 4.420 nan 0.000 0.271 110 P C -0.519 176.688 177.300 -0.155 0.000 1.233 110 P CA -0.063 62.969 63.100 -0.114 0.000 0.789 110 P CB 0.613 32.230 31.700 -0.139 0.000 0.951 111 L N -1.948 119.168 121.223 -0.178 0.000 2.801 111 L HA 0.587 4.926 4.340 -0.001 0.000 0.264 111 L C -1.513 175.195 176.870 -0.271 0.000 1.086 111 L CA -1.152 53.561 54.840 -0.212 0.000 0.920 111 L CB 1.069 43.114 42.059 -0.024 0.000 1.529 111 L HN 0.098 nan 8.230 nan 0.000 0.399 112 Y N 0.980 121.190 120.300 -0.150 0.000 2.320 112 Y HA 0.748 5.297 4.550 -0.001 0.000 0.334 112 Y C 0.048 175.914 175.900 -0.057 0.000 1.055 112 Y CA -0.155 57.881 58.100 -0.107 0.000 1.143 112 Y CB 1.756 40.147 38.460 -0.116 0.000 1.193 112 Y HN 0.376 nan 8.280 nan 0.000 0.477 113 M N 3.772 123.429 119.600 0.096 0.000 2.324 113 M HA 0.413 4.893 4.480 -0.001 0.000 0.288 113 M C -1.157 175.149 176.300 0.009 0.000 1.097 113 M CA -0.858 54.452 55.300 0.015 0.000 0.928 113 M CB 2.600 35.183 32.600 -0.027 0.000 1.648 113 M HN 0.407 nan 8.290 nan 0.000 0.460 114 R N 3.284 123.766 120.500 -0.031 0.000 2.472 114 R HA 0.666 5.005 4.340 -0.001 0.000 0.294 114 R C -2.459 173.810 176.300 -0.051 0.000 1.243 114 R CA -0.217 55.867 56.100 -0.026 0.000 1.023 114 R CB 0.621 30.910 30.300 -0.017 0.000 1.157 114 R HN 0.600 nan 8.270 nan 0.000 0.530 115 L N 2.389 123.587 121.223 -0.042 0.000 2.346 115 L HA 0.603 4.943 4.340 -0.001 0.000 0.276 115 L C -0.427 176.425 176.870 -0.030 0.000 1.006 115 L CA -0.203 54.614 54.840 -0.037 0.000 0.817 115 L CB 2.130 44.160 42.059 -0.049 0.000 1.272 115 L HN 0.588 nan 8.230 nan 0.000 0.421 116 E N 3.662 123.848 120.200 -0.024 0.000 2.308 116 E HA 0.332 4.682 4.350 -0.001 0.000 0.275 116 E C -2.416 174.165 176.600 -0.032 0.000 0.890 116 E CA -1.598 54.773 56.400 -0.049 0.000 0.754 116 E CB 2.421 32.069 29.700 -0.088 0.000 1.207 116 E HN 0.276 nan 8.360 nan 0.000 0.426 117 P HA 0.027 nan 4.420 nan 0.000 0.218 117 P C 0.028 177.327 177.300 -0.003 0.000 1.793 117 P CA 0.080 63.176 63.100 -0.005 0.000 0.941 117 P CB -0.263 31.442 31.700 0.009 0.000 1.919 118 V N -2.418 117.477 119.914 -0.032 0.000 3.406 118 V HA 0.741 4.861 4.120 -0.001 0.000 0.305 118 V C 1.818 177.923 176.094 0.019 0.000 1.136 118 V CA 0.046 62.322 62.300 -0.040 0.000 1.011 118 V CB 0.066 31.799 31.823 -0.151 0.000 1.221 118 V HN 0.092 nan 8.190 nan 0.000 0.454 119 G N 0.331 109.135 108.800 0.007 0.000 2.448 119 G HA2 0.190 4.150 3.960 -0.001 0.000 0.219 119 G HA3 0.190 4.150 3.960 -0.001 0.000 0.219 119 G C 0.605 175.407 174.900 -0.162 0.000 1.127 119 G CA 1.101 46.197 45.100 -0.006 0.000 0.766 119 G HN 1.557 nan 8.290 nan 0.000 0.552 120 S N -2.944 112.518 115.700 -0.397 0.000 2.588 120 S HA 0.648 5.117 4.470 -0.001 0.000 0.269 120 S C 0.612 174.809 174.600 -0.671 0.000 1.157 120 S CA 0.249 58.028 58.200 -0.701 0.000 0.824 120 S CB 1.353 64.411 63.200 -0.238 0.000 1.126 120 S HN 0.602 nan 8.310 nan 0.000 0.464 121 A N 1.505 123.989 122.820 -0.560 0.000 1.968 121 A HA 0.152 4.472 4.320 -0.001 0.000 0.217 121 A C 2.086 179.644 177.584 -0.044 0.000 1.169 121 A CA 1.679 53.622 52.037 -0.157 0.000 0.638 121 A CB -1.303 17.738 19.000 0.068 0.000 0.812 121 A HN 0.897 nan 8.150 nan 0.000 0.446 122 S N 0.369 116.054 115.700 -0.026 0.000 2.400 122 S HA -0.129 4.341 4.470 -0.001 0.000 0.232 122 S C 2.245 176.890 174.600 0.075 0.000 1.025 122 S CA 1.471 59.700 58.200 0.050 0.000 0.993 122 S CB -0.259 62.955 63.200 0.023 0.000 0.808 122 S HN 0.655 nan 8.310 nan 0.000 0.478 123 S N 1.572 117.280 115.700 0.014 0.000 2.368 123 S HA -0.006 4.464 4.470 -0.001 0.000 0.225 123 S C 1.776 176.437 174.600 0.101 0.000 1.030 123 S CA 1.055 59.293 58.200 0.063 0.000 0.999 123 S CB -0.381 62.817 63.200 -0.004 0.000 0.844 123 S HN 0.455 nan 8.310 nan 0.000 0.459 124 I N 1.096 121.690 120.570 0.040 0.000 2.179 124 I HA -0.136 4.034 4.170 -0.001 0.000 0.242 124 I C 2.186 178.383 176.117 0.133 0.000 1.088 124 I CA 0.876 62.205 61.300 0.047 0.000 1.357 124 I CB -0.587 37.411 38.000 -0.002 0.000 1.051 124 I HN 0.139 nan 8.210 nan 0.000 0.409 125 V N 0.466 120.494 119.914 0.190 0.000 2.287 125 V HA -0.329 3.791 4.120 -0.001 0.000 0.248 125 V C 2.373 178.758 176.094 0.484 0.000 1.053 125 V CA 2.087 64.605 62.300 0.362 0.000 1.027 125 V CB -0.886 31.188 31.823 0.417 0.000 0.646 125 V HN 0.418 nan 8.190 nan 0.000 0.447 126 Y N 1.480 121.927 120.300 0.245 0.000 2.165 126 Y HA -0.219 4.331 4.550 -0.001 0.000 0.286 126 Y C 2.652 178.676 175.900 0.208 0.000 1.155 126 Y CA 1.699 59.909 58.100 0.184 0.000 1.164 126 Y CB -0.365 38.107 38.460 0.019 0.000 0.978 126 Y HN 0.103 nan 8.280 nan 0.000 0.513 127 R N -0.629 119.850 120.500 -0.035 0.000 2.189 127 R HA -0.126 4.213 4.340 -0.001 0.000 0.223 127 R C 2.227 178.483 176.300 -0.073 0.000 1.092 127 R CA 1.560 57.563 56.100 -0.161 0.000 0.989 127 R CB -0.250 30.023 30.300 -0.046 0.000 0.876 127 R HN 0.443 nan 8.270 nan 0.000 0.457 128 M N -0.862 118.781 119.600 0.073 0.000 2.254 128 M HA -0.074 4.405 4.480 -0.001 0.000 0.265 128 M C 1.480 177.834 176.300 0.091 0.000 1.066 128 M CA 1.440 56.800 55.300 0.100 0.000 1.123 128 M CB -0.113 32.642 32.600 0.258 0.000 1.388 128 M HN 0.049 nan 8.290 nan 0.000 0.425 129 F N 1.141 121.089 119.950 -0.002 0.000 2.102 129 F HA -0.229 4.297 4.527 -0.001 0.000 0.298 129 F C 2.394 178.143 175.800 -0.085 0.000 1.105 129 F CA 1.640 59.634 58.000 -0.009 0.000 1.239 129 F CB -0.222 38.782 39.000 0.007 0.000 0.991 129 F HN 0.015 nan 8.300 nan 0.000 0.474 130 K N 0.199 120.581 120.400 -0.030 0.000 2.057 130 K HA -0.211 4.109 4.320 -0.001 0.000 0.207 130 K C 1.954 178.502 176.600 -0.088 0.000 1.049 130 K CA 1.782 58.004 56.287 -0.108 0.000 0.931 130 K CB -0.450 31.897 32.500 -0.256 0.000 0.714 130 K HN 0.457 nan 8.250 nan 0.000 0.440 131 E N 0.276 120.391 120.200 -0.142 0.000 2.204 131 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 131 E C 1.185 177.632 176.600 -0.255 0.000 0.990 131 E CA 1.117 57.389 56.400 -0.213 0.000 0.821 131 E CB -0.134 29.391 29.700 -0.292 0.000 0.750 131 E HN 0.404 nan 8.360 nan 0.000 0.477 132 H N 0.257 119.295 119.070 -0.054 0.000 2.529 132 H HA 0.255 4.811 4.556 -0.000 0.000 0.277 132 H C 0.076 175.360 175.328 -0.073 0.000 1.004 132 H CA 0.365 56.361 56.048 -0.087 0.000 1.167 132 H CB 0.678 30.320 29.762 -0.199 0.000 1.445 132 H HN 0.049 nan 8.280 nan 0.000 0.554 133 S N 0.441 116.168 115.700 0.045 0.000 3.614 133 S HA -0.130 4.340 4.470 -0.001 0.000 0.360 133 S C 0.255 174.894 174.600 0.065 0.000 1.023 133 S CA 0.352 58.578 58.200 0.044 0.000 1.114 133 S CB -1.666 61.550 63.200 0.027 0.000 0.907 133 S HN 0.121 nan 8.310 nan 0.000 0.470 134 V N 1.334 121.313 119.914 0.108 0.000 2.370 134 V HA 0.672 4.792 4.120 -0.001 0.000 0.279 134 V C 0.783 177.063 176.094 0.310 0.000 1.029 134 V CA -0.356 62.038 62.300 0.157 0.000 0.870 134 V CB 1.303 33.152 31.823 0.044 0.000 0.984 134 V HN 0.689 nan 8.190 nan 0.000 0.451 135 A N 5.124 128.080 122.820 0.227 0.000 2.531 135 A HA 0.424 4.744 4.320 -0.001 0.000 0.236 135 A C -0.098 177.600 177.584 0.190 0.000 1.062 135 A CA 0.041 52.185 52.037 0.178 0.000 0.760 135 A CB 0.177 19.248 19.000 0.118 0.000 0.995 135 A HN 0.718 nan 8.150 nan 0.000 0.501 136 V N 3.823 123.762 119.914 0.043 0.000 2.347 136 V HA 0.335 4.455 4.120 -0.001 0.000 0.280 136 V C 0.797 176.806 176.094 -0.143 0.000 1.021 136 V CA 0.010 62.213 62.300 -0.161 0.000 0.847 136 V CB 0.880 32.576 31.823 -0.212 0.000 0.990 136 V HN 1.125 nan 8.190 nan 0.000 0.444 137 S N 4.206 119.791 115.700 -0.191 0.000 2.608 137 S HA 0.190 4.660 4.470 -0.001 0.000 0.261 137 S C 1.215 175.724 174.600 -0.152 0.000 1.314 137 S CA -0.133 57.981 58.200 -0.142 0.000 0.992 137 S CB 0.928 64.034 63.200 -0.156 0.000 0.935 137 S HN 0.755 nan 8.310 nan 0.000 0.564 138 K N 0.544 120.889 120.400 -0.092 0.000 2.057 138 K HA -0.171 4.149 4.320 -0.001 0.000 0.207 138 K C 1.705 178.220 176.600 -0.142 0.000 1.049 138 K CA 1.820 58.060 56.287 -0.078 0.000 0.931 138 K CB -0.330 32.178 32.500 0.014 0.000 0.714 138 K HN 0.690 nan 8.250 nan 0.000 0.440 139 E N 0.888 121.034 120.200 -0.091 0.000 2.051 139 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 139 E C 1.912 178.365 176.600 -0.245 0.000 0.991 139 E CA 1.432 57.767 56.400 -0.109 0.000 0.799 139 E CB -0.143 29.558 29.700 0.001 0.000 0.748 139 E HN 0.372 nan 8.360 nan 0.000 0.449 140 I N 0.470 120.922 120.570 -0.196 0.000 2.315 140 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 140 I C 2.222 178.140 176.117 -0.332 0.000 1.117 140 I CA 0.900 62.080 61.300 -0.200 0.000 1.404 140 I CB -0.299 37.535 38.000 -0.276 0.000 1.071 140 I HN 0.089 nan 8.210 nan 0.000 0.419 141 A N 1.013 123.601 122.820 -0.387 0.000 1.902 141 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 141 A C 2.442 179.689 177.584 -0.561 0.000 1.181 141 A CA 1.842 53.619 52.037 -0.433 0.000 0.623 141 A CB -1.363 17.422 19.000 -0.358 0.000 0.818 141 A HN 0.442 nan 8.150 nan 0.000 0.443 142 G N -0.330 107.943 108.800 -0.878 0.000 2.418 142 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.217 142 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.217 142 G C 1.399 175.721 174.900 -0.962 0.000 1.158 142 G CA 1.226 45.305 45.100 -1.702 0.000 0.771 142 G HN 0.356 nan 8.290 nan 0.000 0.545 143 L N 0.160 121.021 121.223 -0.603 0.000 2.093 143 L HA 0.126 4.466 4.340 -0.001 0.000 0.208 143 L C 3.041 179.821 176.870 -0.151 0.000 1.085 143 L CA 1.264 55.951 54.840 -0.255 0.000 0.755 143 L CB -0.400 41.558 42.059 -0.169 0.000 0.904 143 L HN 0.215 nan 8.230 nan 0.000 0.435 144 M N -1.767 117.723 119.600 -0.183 0.000 2.132 144 M HA -0.183 4.297 4.480 -0.001 0.000 0.263 144 M C 2.223 178.441 176.300 -0.137 0.000 1.065 144 M CA 1.342 56.572 55.300 -0.117 0.000 1.122 144 M CB -0.457 32.065 32.600 -0.131 0.000 1.365 144 M HN 0.246 nan 8.290 nan 0.000 0.411 145 L N 0.193 121.283 121.223 -0.222 0.000 2.042 145 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 145 L C 2.359 179.211 176.870 -0.030 0.000 1.076 145 L CA 1.911 56.653 54.840 -0.164 0.000 0.749 145 L CB -0.686 41.236 42.059 -0.228 0.000 0.893 145 L HN 0.132 nan 8.230 nan 0.000 0.432 146 S N -0.131 115.575 115.700 0.009 0.000 2.382 146 S HA -0.098 4.371 4.470 -0.001 0.000 0.228 146 S C 1.905 176.552 174.600 0.078 0.000 1.027 146 S CA 1.024 59.310 58.200 0.144 0.000 0.991 146 S CB -1.023 62.309 63.200 0.219 0.000 0.823 146 S HN 0.718 nan 8.310 nan 0.000 0.469 147 G N 1.794 110.616 108.800 0.037 0.000 2.418 147 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.217 147 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.217 147 G C 1.393 176.307 174.900 0.022 0.000 1.158 147 G CA 0.944 46.068 45.100 0.040 0.000 0.771 147 G HN 0.426 nan 8.290 nan 0.000 0.545 148 L N 0.811 122.033 121.223 -0.003 0.000 2.017 148 L HA 0.092 4.432 4.340 -0.001 0.000 0.208 148 L C 2.676 179.552 176.870 0.009 0.000 1.073 148 L CA 1.377 56.209 54.840 -0.013 0.000 0.745 148 L CB -0.520 41.522 42.059 -0.029 0.000 0.894 148 L HN 0.268 nan 8.230 nan 0.000 0.432 149 I N -1.083 119.502 120.570 0.025 0.000 2.226 149 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 149 I C 2.691 178.820 176.117 0.019 0.000 1.100 149 I CA 1.515 62.832 61.300 0.028 0.000 1.374 149 I CB -0.530 37.504 38.000 0.055 0.000 1.057 149 I HN 0.400 nan 8.210 nan 0.000 0.413 150 S N 0.707 116.426 115.700 0.031 0.000 2.353 150 S HA -0.242 4.228 4.470 -0.001 0.000 0.222 150 S C 1.702 176.329 174.600 0.046 0.000 1.035 150 S CA 2.020 60.240 58.200 0.033 0.000 1.025 150 S CB -0.253 62.980 63.200 0.055 0.000 0.902 150 S HN 0.367 nan 8.310 nan 0.000 0.440 151 D N 0.088 120.524 120.400 0.060 0.000 2.269 151 D HA 0.018 4.658 4.640 -0.001 0.000 0.208 151 D C 1.786 178.123 176.300 0.063 0.000 0.963 151 D CA 1.508 55.559 54.000 0.085 0.000 0.864 151 D CB -0.134 40.731 40.800 0.110 0.000 0.936 151 D HN 0.683 nan 8.370 nan 0.000 0.505 152 T N -2.569 112.007 114.554 0.037 0.000 3.085 152 T HA 0.211 4.560 4.350 -0.001 0.000 0.264 152 T C 0.978 175.688 174.700 0.016 0.000 1.019 152 T CA -0.351 61.766 62.100 0.028 0.000 0.910 152 T CB -0.162 68.720 68.868 0.024 0.000 1.059 152 T HN 0.104 nan 8.240 nan 0.000 0.542 153 L N 1.456 122.685 121.223 0.010 0.000 3.677 153 L HA -0.153 4.187 4.340 -0.001 0.000 0.464 153 L C 0.469 177.334 176.870 -0.008 0.000 1.278 153 L CA 0.043 54.880 54.840 -0.005 0.000 0.806 153 L CB -1.811 40.245 42.059 -0.005 0.000 1.610 153 L HN 0.517 nan 8.230 nan 0.000 0.867 154 L N 0.256 121.476 121.223 -0.005 0.000 3.548 154 L HA -0.279 4.061 4.340 -0.001 0.000 0.443 154 L C 1.074 177.946 176.870 0.004 0.000 1.286 154 L CA 0.887 55.725 54.840 -0.002 0.000 0.863 154 L CB -0.494 41.557 42.059 -0.013 0.000 1.734 154 L HN 0.619 nan 8.230 nan 0.000 0.873 155 L N -1.691 119.537 121.223 0.009 0.000 4.089 155 L HA -0.314 4.026 4.340 -0.001 0.000 0.408 155 L C 1.479 178.354 176.870 0.008 0.000 1.184 155 L CA 1.603 56.450 54.840 0.011 0.000 0.947 155 L CB -1.526 40.540 42.059 0.012 0.000 2.066 155 L HN 0.714 nan 8.230 nan 0.000 0.851 156 K N -1.426 118.978 120.400 0.006 0.000 2.402 156 K HA 0.257 4.577 4.320 -0.001 0.000 0.203 156 K C 0.850 177.452 176.600 0.004 0.000 1.077 156 K CA 0.354 56.644 56.287 0.004 0.000 1.051 156 K CB 0.847 33.347 32.500 0.000 0.000 0.907 156 K HN 0.140 nan 8.250 nan 0.000 0.554 157 S N 2.396 118.102 115.700 0.009 0.000 2.585 157 S HA 0.151 4.620 4.470 -0.001 0.000 0.273 157 S C -1.464 173.144 174.600 0.012 0.000 1.339 157 S CA -1.389 56.817 58.200 0.010 0.000 1.028 157 S CB 0.755 63.966 63.200 0.018 0.000 0.906 157 S HN 0.142 nan 8.310 nan 0.000 0.528 158 P HA -0.019 nan 4.420 nan 0.000 0.234 158 P C 1.072 178.385 177.300 0.021 0.000 1.167 158 P CA 0.913 64.019 63.100 0.009 0.000 0.763 158 P CB -0.533 31.169 31.700 0.003 0.000 0.835 159 T N -4.623 109.950 114.554 0.031 0.000 3.113 159 T HA 0.025 4.374 4.350 -0.001 0.000 0.256 159 T C 0.819 175.560 174.700 0.069 0.000 1.131 159 T CA 0.145 62.276 62.100 0.051 0.000 1.074 159 T CB -1.297 67.607 68.868 0.060 0.000 0.944 159 T HN -0.041 nan 8.240 nan 0.000 0.516 160 T N 3.259 117.845 114.554 0.052 0.000 2.853 160 T HA 0.079 4.429 4.350 -0.001 0.000 0.298 160 T C -0.258 174.489 174.700 0.079 0.000 0.978 160 T CA -0.161 61.974 62.100 0.059 0.000 1.152 160 T CB 0.160 69.047 68.868 0.032 0.000 0.914 160 T HN 0.398 nan 8.240 nan 0.000 0.539 161 H N 3.981 123.055 119.070 0.007 0.000 2.502 161 H HA 0.234 4.790 4.556 -0.000 0.000 0.338 161 H C -1.966 173.368 175.328 0.010 0.000 1.155 161 H CA -2.494 53.559 56.048 0.008 0.000 1.237 161 H CB 1.978 31.745 29.762 0.009 0.000 1.534 161 H HN 0.262 nan 8.280 nan 0.000 0.523 162 P HA -0.162 nan 4.420 nan 0.000 0.216 162 P C 1.373 178.727 177.300 0.091 0.000 1.150 162 P CA 2.427 65.468 63.100 -0.099 0.000 0.843 162 P CB 0.039 31.621 31.700 -0.197 0.000 0.787 163 T N -4.085 110.665 114.554 0.327 0.000 2.915 163 T HA -0.133 4.217 4.350 -0.001 0.000 0.269 163 T C 1.436 176.229 174.700 0.154 0.000 1.071 163 T CA 1.207 63.447 62.100 0.234 0.000 1.132 163 T CB -0.874 68.123 68.868 0.216 0.000 0.878 163 T HN 0.060 nan 8.240 nan 0.000 0.479 164 D N 1.769 122.261 120.400 0.153 0.000 2.117 164 D HA -0.017 4.622 4.640 -0.001 0.000 0.198 164 D C 2.160 178.497 176.300 0.062 0.000 0.982 164 D CA 1.002 55.055 54.000 0.089 0.000 0.828 164 D CB -0.110 40.736 40.800 0.075 0.000 0.967 164 D HN 0.495 nan 8.370 nan 0.000 0.464 165 K N 0.812 121.246 120.400 0.057 0.000 2.148 165 K HA -0.014 4.306 4.320 -0.001 0.000 0.204 165 K C 2.101 178.724 176.600 0.038 0.000 1.050 165 K CA 0.907 57.215 56.287 0.034 0.000 0.942 165 K CB 0.056 32.569 32.500 0.021 0.000 0.724 165 K HN 0.002 nan 8.250 nan 0.000 0.446 166 A N 1.919 124.772 122.820 0.055 0.000 1.897 166 A HA -0.097 4.222 4.320 -0.001 0.000 0.215 166 A C 2.157 179.785 177.584 0.073 0.000 1.181 166 A CA 1.210 53.283 52.037 0.060 0.000 0.620 166 A CB -0.574 18.468 19.000 0.070 0.000 0.821 166 A HN 0.425 nan 8.150 nan 0.000 0.443 167 I N -3.319 117.307 120.570 0.095 0.000 2.876 167 I HA 0.154 4.324 4.170 -0.001 0.000 0.264 167 I C 2.296 178.402 176.117 -0.020 0.000 1.204 167 I CA 0.961 62.330 61.300 0.115 0.000 1.485 167 I CB -0.456 37.690 38.000 0.243 0.000 1.103 167 I HN 0.159 nan 8.210 nan 0.000 0.446 168 A N 3.114 125.923 122.820 -0.019 0.000 1.873 168 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 168 A C 0.541 178.089 177.584 -0.061 0.000 1.193 168 A CA 2.262 54.268 52.037 -0.052 0.000 0.629 168 A CB -2.180 16.811 19.000 -0.015 0.000 0.826 168 A HN 0.470 nan 8.150 nan 0.000 0.447 169 P HA -0.133 nan 4.420 nan 0.000 0.219 169 P C 0.979 178.256 177.300 -0.039 0.000 1.150 169 P CA 1.351 64.437 63.100 -0.023 0.000 0.814 169 P CB -0.119 31.581 31.700 -0.000 0.000 0.787 170 E N 0.068 120.244 120.200 -0.039 0.000 2.047 170 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 170 E C 2.291 178.802 176.600 -0.148 0.000 0.987 170 E CA 0.857 57.236 56.400 -0.036 0.000 0.799 170 E CB -0.539 29.201 29.700 0.067 0.000 0.752 170 E HN 0.245 nan 8.360 nan 0.000 0.449 171 L N 0.602 121.650 121.223 -0.292 0.000 2.093 171 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 171 L C 2.568 179.292 176.870 -0.243 0.000 1.085 171 L CA 0.870 55.471 54.840 -0.397 0.000 0.755 171 L CB -0.392 41.370 42.059 -0.495 0.000 0.904 171 L HN 0.139 nan 8.230 nan 0.000 0.435 172 A N -0.057 122.668 122.820 -0.158 0.000 1.902 172 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 172 A C 2.184 179.724 177.584 -0.073 0.000 1.181 172 A CA 1.936 53.912 52.037 -0.102 0.000 0.623 172 A CB -0.440 18.531 19.000 -0.048 0.000 0.818 172 A HN 0.399 nan 8.150 nan 0.000 0.443 173 E N 0.299 120.461 120.200 -0.062 0.000 2.051 173 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 173 E C 1.801 178.375 176.600 -0.044 0.000 0.991 173 E CA 1.385 57.764 56.400 -0.036 0.000 0.799 173 E CB -0.459 29.228 29.700 -0.022 0.000 0.748 173 E HN 0.574 nan 8.360 nan 0.000 0.449 174 L N -0.198 120.978 121.223 -0.079 0.000 2.131 174 L HA -0.078 4.261 4.340 -0.001 0.000 0.210 174 L C 2.312 179.128 176.870 -0.090 0.000 1.092 174 L CA 1.113 55.901 54.840 -0.086 0.000 0.759 174 L CB -0.390 41.591 42.059 -0.130 0.000 0.903 174 L HN 0.215 nan 8.230 nan 0.000 0.435 175 A N -0.568 122.185 122.820 -0.112 0.000 2.208 175 A HA 0.259 4.579 4.320 -0.001 0.000 0.209 175 A C 1.693 179.338 177.584 0.101 0.000 1.161 175 A CA 0.691 52.695 52.037 -0.056 0.000 0.782 175 A CB -0.401 18.483 19.000 -0.193 0.000 0.816 175 A HN 0.491 nan 8.150 nan 0.000 0.477 176 G N -0.824 107.999 108.800 0.037 0.000 2.198 176 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.257 176 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.257 176 G C 0.217 175.157 174.900 0.067 0.000 1.042 176 G CA 0.754 45.887 45.100 0.054 0.000 0.791 176 G HN 1.818 nan 8.290 nan 0.000 0.502 177 V N -3.372 116.564 119.914 0.035 0.000 3.074 177 V HA 0.832 4.951 4.120 -0.001 0.000 0.314 177 V C 0.121 176.240 176.094 0.042 0.000 1.117 177 V CA -1.467 60.856 62.300 0.039 0.000 1.014 177 V CB 2.140 33.920 31.823 -0.071 0.000 1.057 177 V HN 0.331 nan 8.190 nan 0.000 0.438 178 N N 1.722 120.471 118.700 0.080 0.000 2.408 178 N HA 0.136 4.875 4.740 -0.001 0.000 0.257 178 N C 0.610 176.177 175.510 0.096 0.000 1.064 178 N CA -0.308 52.786 53.050 0.073 0.000 0.952 178 N CB 1.302 39.834 38.487 0.076 0.000 1.093 178 N HN 0.902 nan 8.380 nan 0.000 0.490 179 L N 4.982 126.245 121.223 0.066 0.000 1.978 179 L HA -0.211 4.129 4.340 -0.001 0.000 0.218 179 L C 1.598 178.522 176.870 0.090 0.000 1.075 179 L CA 2.105 56.991 54.840 0.077 0.000 0.767 179 L CB -0.563 41.518 42.059 0.038 0.000 0.890 179 L HN 0.601 nan 8.230 nan 0.000 0.434 180 E N -0.467 119.766 120.200 0.056 0.000 2.072 180 E HA -0.209 4.141 4.350 -0.001 0.000 0.191 180 E C 2.127 178.746 176.600 0.031 0.000 0.985 180 E CA 1.357 57.778 56.400 0.034 0.000 0.801 180 E CB -0.311 29.402 29.700 0.021 0.000 0.750 180 E HN 0.681 nan 8.360 nan 0.000 0.452 181 E N -0.347 119.886 120.200 0.054 0.000 2.051 181 E HA -0.255 4.095 4.350 -0.001 0.000 0.192 181 E C 2.008 178.642 176.600 0.055 0.000 0.991 181 E CA 1.099 57.532 56.400 0.055 0.000 0.799 181 E CB -0.226 29.521 29.700 0.078 0.000 0.748 181 E HN 0.404 nan 8.360 nan 0.000 0.449 182 Y N 0.471 120.763 120.300 -0.013 0.000 2.163 182 Y HA -0.056 4.493 4.550 -0.001 0.000 0.288 182 Y C 2.144 178.008 175.900 -0.059 0.000 1.136 182 Y CA 1.997 60.066 58.100 -0.050 0.000 1.147 182 Y CB -0.682 37.721 38.460 -0.095 0.000 0.987 182 Y HN 0.117 nan 8.280 nan 0.000 0.509 183 G N 0.763 109.528 108.800 -0.059 0.000 2.446 183 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.217 183 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.217 183 G C 1.638 176.404 174.900 -0.222 0.000 1.168 183 G CA 1.422 46.441 45.100 -0.135 0.000 0.771 183 G HN 0.461 nan 8.290 nan 0.000 0.551 184 L N 0.604 121.734 121.223 -0.156 0.000 2.046 184 L HA -0.042 4.297 4.340 -0.001 0.000 0.208 184 L C 3.421 180.149 176.870 -0.237 0.000 1.077 184 L CA 1.008 55.757 54.840 -0.152 0.000 0.747 184 L CB -0.421 41.586 42.059 -0.087 0.000 0.896 184 L HN 0.314 nan 8.230 nan 0.000 0.432 185 A N -0.337 122.312 122.820 -0.286 0.000 1.877 185 A HA -0.261 4.059 4.320 -0.001 0.000 0.216 185 A C 2.355 179.482 177.584 -0.762 0.000 1.186 185 A CA 1.860 53.675 52.037 -0.370 0.000 0.620 185 A CB -0.533 18.355 19.000 -0.187 0.000 0.822 185 A HN 0.398 nan 8.150 nan 0.000 0.443 186 M N -0.501 118.554 119.600 -0.909 0.000 2.086 186 M HA -0.115 4.365 4.480 -0.001 0.000 0.261 186 M C 1.969 177.906 176.300 -0.606 0.000 1.067 186 M CA 1.694 56.377 55.300 -1.029 0.000 1.116 186 M CB -0.310 31.824 32.600 -0.777 0.000 1.348 186 M HN 0.428 nan 8.290 nan 0.000 0.407 187 L N -0.005 120.983 121.223 -0.391 0.000 2.083 187 L HA -0.224 4.116 4.340 -0.001 0.000 0.209 187 L C 2.356 179.091 176.870 -0.224 0.000 1.083 187 L CA 1.286 55.984 54.840 -0.236 0.000 0.752 187 L CB -0.566 41.399 42.059 -0.157 0.000 0.899 187 L HN 0.291 nan 8.230 nan 0.000 0.433 188 K N 0.101 120.343 120.400 -0.263 0.000 2.148 188 K HA -0.092 4.228 4.320 -0.001 0.000 0.204 188 K C 2.132 178.605 176.600 -0.210 0.000 1.050 188 K CA 1.133 57.300 56.287 -0.199 0.000 0.942 188 K CB -0.209 32.183 32.500 -0.179 0.000 0.724 188 K HN 0.264 nan 8.250 nan 0.000 0.446 189 A N 0.985 123.596 122.820 -0.347 0.000 2.125 189 A HA -0.062 4.258 4.320 -0.001 0.000 0.219 189 A C 1.964 179.467 177.584 -0.136 0.000 1.156 189 A CA 1.587 53.456 52.037 -0.280 0.000 0.671 189 A CB -0.437 18.239 19.000 -0.540 0.000 0.794 189 A HN 0.396 nan 8.150 nan 0.000 0.459 190 G N -1.190 107.531 108.800 -0.131 0.000 3.337 190 G HA2 0.242 4.202 3.960 -0.001 0.000 0.246 190 G HA3 0.242 4.202 3.960 -0.001 0.000 0.246 190 G C 0.945 175.820 174.900 -0.041 0.000 1.131 190 G CA 0.977 46.041 45.100 -0.060 0.000 0.773 190 G HN 0.589 nan 8.290 nan 0.000 0.544 191 T N -2.848 111.674 114.554 -0.053 0.000 3.092 191 T HA 0.146 4.495 4.350 -0.001 0.000 0.258 191 T C 0.513 175.200 174.700 -0.023 0.000 1.031 191 T CA -0.536 61.543 62.100 -0.035 0.000 0.925 191 T CB 0.053 68.895 68.868 -0.043 0.000 1.036 191 T HN -0.035 nan 8.240 nan 0.000 0.544 192 N N 2.340 121.028 118.700 -0.019 0.000 3.124 192 N HA 0.293 5.033 4.740 -0.001 0.000 0.284 192 N C 0.916 176.426 175.510 0.000 0.000 1.209 192 N CA -0.078 52.967 53.050 -0.008 0.000 1.149 192 N CB 0.523 39.007 38.487 -0.004 0.000 1.434 192 N HN 0.467 nan 8.380 nan 0.000 0.529 193 L N -0.118 121.105 121.223 0.000 0.000 2.395 193 L HA 0.001 4.340 4.340 -0.001 0.000 0.218 193 L C 2.196 179.069 176.870 0.005 0.000 1.130 193 L CA 0.424 55.267 54.840 0.005 0.000 0.826 193 L CB -0.216 41.846 42.059 0.005 0.000 0.941 193 L HN 0.303 nan 8.230 nan 0.000 0.451 194 A N 0.399 123.220 122.820 0.002 0.000 2.070 194 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 194 A C 2.417 180.003 177.584 0.004 0.000 1.159 194 A CA 1.704 53.741 52.037 0.001 0.000 0.656 194 A CB -0.432 18.568 19.000 -0.001 0.000 0.800 194 A HN 0.504 nan 8.150 nan 0.000 0.453 195 S N -1.252 114.452 115.700 0.007 0.000 2.593 195 S HA 0.160 4.629 4.470 -0.001 0.000 0.217 195 S C 0.505 175.112 174.600 0.012 0.000 0.966 195 S CA -0.154 58.052 58.200 0.010 0.000 0.914 195 S CB 0.107 63.314 63.200 0.013 0.000 0.776 195 S HN 0.278 nan 8.310 nan 0.000 0.523 196 K N 2.749 123.156 120.400 0.012 0.000 2.207 196 K HA 0.450 4.770 4.320 -0.001 0.000 0.255 196 K C 0.084 176.691 176.600 0.011 0.000 0.941 196 K CA -0.315 55.981 56.287 0.015 0.000 0.825 196 K CB 1.879 34.391 32.500 0.020 0.000 1.119 196 K HN 0.386 nan 8.250 nan 0.000 0.430 197 S N 0.304 116.011 115.700 0.012 0.000 2.608 197 S HA 0.243 4.712 4.470 -0.001 0.000 0.261 197 S C 1.360 175.964 174.600 0.007 0.000 1.314 197 S CA -0.003 58.202 58.200 0.007 0.000 0.992 197 S CB 1.075 64.279 63.200 0.008 0.000 0.935 197 S HN 0.590 nan 8.310 nan 0.000 0.564 198 A N 0.788 123.608 122.820 -0.001 0.000 1.902 198 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 198 A C 2.100 179.681 177.584 -0.005 0.000 1.181 198 A CA 1.649 53.682 52.037 -0.008 0.000 0.623 198 A CB -1.123 17.865 19.000 -0.020 0.000 0.818 198 A HN 0.951 nan 8.150 nan 0.000 0.443 199 E N -0.371 119.828 120.200 -0.002 0.000 2.150 199 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 199 E C 1.974 178.592 176.600 0.031 0.000 0.985 199 E CA 1.276 57.680 56.400 0.007 0.000 0.814 199 E CB -0.133 29.571 29.700 0.008 0.000 0.752 199 E HN 0.759 nan 8.360 nan 0.000 0.466 200 E N 0.655 120.873 120.200 0.030 0.000 2.046 200 E HA -0.161 4.189 4.350 -0.001 0.000 0.190 200 E C 2.312 178.943 176.600 0.051 0.000 0.982 200 E CA 0.878 57.302 56.400 0.041 0.000 0.800 200 E CB -0.179 29.540 29.700 0.032 0.000 0.756 200 E HN 0.187 nan 8.360 nan 0.000 0.449 201 L N 0.814 122.062 121.223 0.042 0.000 2.079 201 L HA -0.114 4.225 4.340 -0.001 0.000 0.210 201 L C 2.244 179.162 176.870 0.080 0.000 1.081 201 L CA 1.575 56.445 54.840 0.050 0.000 0.752 201 L CB -0.909 41.170 42.059 0.034 0.000 0.896 201 L HN 0.172 nan 8.230 nan 0.000 0.433 202 I N -3.142 117.483 120.570 0.093 0.000 3.444 202 I HA 0.096 4.265 4.170 -0.001 0.000 0.287 202 I C 1.098 177.365 176.117 0.250 0.000 1.302 202 I CA 1.090 62.499 61.300 0.183 0.000 1.368 202 I CB -0.501 37.563 38.000 0.107 0.000 1.048 202 I HN 0.243 nan 8.210 nan 0.000 0.487 203 D N 0.141 120.636 120.400 0.159 0.000 2.540 203 D HA 0.258 4.897 4.640 -0.001 0.000 0.229 203 D C 1.622 177.981 176.300 0.098 0.000 1.250 203 D CA -0.010 54.076 54.000 0.143 0.000 0.817 203 D CB 0.225 41.107 40.800 0.137 0.000 1.060 203 D HN 0.310 nan 8.370 nan 0.000 0.508 204 I N -0.150 120.473 120.570 0.087 0.000 2.202 204 I HA -0.080 4.090 4.170 -0.001 0.000 0.242 204 I C 0.510 176.671 176.117 0.074 0.000 1.091 204 I CA 1.018 62.361 61.300 0.072 0.000 1.368 204 I CB 0.237 38.275 38.000 0.062 0.000 1.058 204 I HN 0.009 nan 8.210 nan 0.000 0.410 205 D N 0.862 121.305 120.400 0.072 0.000 2.363 205 D HA 0.534 5.173 4.640 -0.001 0.000 0.258 205 D C -1.117 175.205 176.300 0.037 0.000 1.259 205 D CA -0.066 53.975 54.000 0.068 0.000 0.921 205 D CB 0.936 41.780 40.800 0.072 0.000 1.201 205 D HN 0.162 nan 8.370 nan 0.000 0.524 206 A N 2.848 125.675 122.820 0.011 0.000 2.486 206 A HA 0.780 5.100 4.320 -0.001 0.000 0.300 206 A C -0.764 176.749 177.584 -0.118 0.000 1.048 206 A CA -0.772 51.233 52.037 -0.052 0.000 0.696 206 A CB 1.486 20.466 19.000 -0.033 0.000 1.278 206 A HN 0.268 nan 8.150 nan 0.000 0.405 207 K N 0.609 120.897 120.400 -0.186 0.000 2.435 207 K HA 0.680 5.000 4.320 -0.001 0.000 0.251 207 K C -1.017 175.319 176.600 -0.440 0.000 0.954 207 K CA -0.624 55.455 56.287 -0.347 0.000 0.820 207 K CB 2.484 34.685 32.500 -0.498 0.000 1.292 207 K HN 0.614 nan 8.250 nan 0.000 0.436 208 T N 1.812 116.061 114.554 -0.509 0.000 2.829 208 T HA 0.539 4.888 4.350 -0.001 0.000 0.282 208 T C -0.934 173.365 174.700 -0.670 0.000 0.990 208 T CA -0.345 61.509 62.100 -0.411 0.000 1.028 208 T CB 0.203 68.970 68.868 -0.168 0.000 0.951 208 T HN 0.226 nan 8.240 nan 0.000 0.460 209 F N 1.206 121.059 119.950 -0.162 0.000 2.540 209 F HA 0.395 4.922 4.527 0.001 0.000 0.317 209 F C 0.518 176.234 175.800 -0.140 0.000 1.104 209 F CA -1.075 56.838 58.000 -0.146 0.000 0.913 209 F CB 1.778 40.664 39.000 -0.190 0.000 1.170 209 F HN 0.464 nan 8.300 nan 0.000 0.450 210 E N 4.373 124.604 120.200 0.051 0.000 2.035 210 E HA 0.400 4.750 4.350 -0.001 0.000 0.271 210 E C -1.462 175.131 176.600 -0.011 0.000 0.953 210 E CA -0.302 56.105 56.400 0.012 0.000 0.777 210 E CB 0.477 30.189 29.700 0.020 0.000 1.104 210 E HN 0.592 nan 8.360 nan 0.000 0.408 211 L N 5.213 126.383 121.223 -0.088 0.000 2.264 211 L HA 0.293 4.632 4.340 -0.001 0.000 0.287 211 L C 0.490 177.385 176.870 0.042 0.000 1.039 211 L CA -0.712 54.057 54.840 -0.117 0.000 0.829 211 L CB 0.671 42.428 42.059 -0.503 0.000 1.211 211 L HN 0.686 nan 8.230 nan 0.000 0.427 212 N N 3.213 121.954 118.700 0.068 0.000 2.725 212 N HA -0.206 4.533 4.740 -0.001 0.000 0.251 212 N C 0.939 176.504 175.510 0.092 0.000 1.031 212 N CA 1.046 54.152 53.050 0.094 0.000 0.720 212 N CB -0.328 38.244 38.487 0.143 0.000 0.930 212 N HN 1.119 nan 8.380 nan 0.000 0.543 213 G N -0.868 107.970 108.800 0.064 0.000 2.179 213 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.260 213 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.260 213 G C -0.127 174.819 174.900 0.077 0.000 0.977 213 G CA 0.419 45.556 45.100 0.062 0.000 0.641 213 G HN 0.590 nan 8.290 nan 0.000 0.533 214 N N 1.107 119.861 118.700 0.091 0.000 2.400 214 N HA 0.291 5.031 4.740 -0.001 0.000 0.288 214 N C -0.886 174.655 175.510 0.053 0.000 1.024 214 N CA -0.545 52.569 53.050 0.107 0.000 0.894 214 N CB 0.837 39.448 38.487 0.207 0.000 1.173 214 N HN 0.126 nan 8.380 nan 0.000 0.487 215 N N 1.444 120.200 118.700 0.094 0.000 2.415 215 N HA 0.142 4.881 4.740 -0.001 0.000 0.246 215 N C -0.610 174.949 175.510 0.082 0.000 1.078 215 N CA -0.045 53.066 53.050 0.101 0.000 0.942 215 N CB 1.193 39.794 38.487 0.190 0.000 1.140 215 N HN 0.215 nan 8.380 nan 0.000 0.501 216 V N 2.835 122.718 119.914 -0.052 0.000 2.370 216 V HA 0.284 4.403 4.120 -0.001 0.000 0.283 216 V C 0.524 176.467 176.094 -0.253 0.000 1.023 216 V CA -0.818 61.396 62.300 -0.144 0.000 0.857 216 V CB 1.369 33.034 31.823 -0.264 0.000 0.985 216 V HN 0.435 nan 8.190 nan 0.000 0.443 217 R N 4.194 124.357 120.500 -0.562 0.000 2.221 217 R HA 0.570 4.909 4.340 -0.001 0.000 0.327 217 R C -1.167 174.691 176.300 -0.737 0.000 1.033 217 R CA -0.163 55.420 56.100 -0.862 0.000 0.887 217 R CB 1.152 30.447 30.300 -1.675 0.000 1.057 217 R HN 0.503 nan 8.270 nan 0.000 0.455 218 V N 4.544 124.225 119.914 -0.388 0.000 2.350 218 V HA 0.694 4.813 4.120 -0.001 0.000 0.285 218 V C -0.139 175.834 176.094 -0.201 0.000 1.014 218 V CA -0.707 61.450 62.300 -0.239 0.000 0.831 218 V CB 1.166 32.977 31.823 -0.019 0.000 1.000 218 V HN 0.935 nan 8.190 nan 0.000 0.433 219 A N 4.482 127.167 122.820 -0.225 0.000 2.311 219 A HA 0.916 5.235 4.320 -0.001 0.000 0.334 219 A C -0.570 177.028 177.584 0.023 0.000 1.139 219 A CA -0.624 51.380 52.037 -0.055 0.000 0.830 219 A CB 1.811 20.856 19.000 0.076 0.000 1.234 219 A HN 0.775 nan 8.150 nan 0.000 0.483 220 Q N -0.005 119.820 119.800 0.042 0.000 2.345 220 Q HA 0.611 4.950 4.340 -0.001 0.000 0.275 220 Q C -1.783 174.245 176.000 0.048 0.000 1.063 220 Q CA -0.719 55.108 55.803 0.040 0.000 0.819 220 Q CB 2.336 31.090 28.738 0.028 0.000 1.356 220 Q HN 1.165 nan 8.270 nan 0.000 0.418 221 V N 0.553 120.490 119.914 0.039 0.000 2.789 221 V HA 0.668 4.787 4.120 -0.001 0.000 0.311 221 V C -1.111 174.993 176.094 0.018 0.000 1.073 221 V CA -1.015 61.305 62.300 0.033 0.000 0.921 221 V CB 1.979 33.824 31.823 0.037 0.000 1.009 221 V HN 0.749 nan 8.190 nan 0.000 0.426 222 N N 1.910 120.617 118.700 0.011 0.000 2.479 222 N HA 0.729 5.469 4.740 -0.001 0.000 0.285 222 N C -0.250 175.257 175.510 -0.005 0.000 1.075 222 N CA 0.002 53.051 53.050 -0.001 0.000 0.967 222 N CB 1.775 40.257 38.487 -0.010 0.000 1.137 222 N HN 1.033 nan 8.380 nan 0.000 0.472 223 T N -0.984 113.566 114.554 -0.006 0.000 2.864 223 T HA 0.418 4.768 4.350 -0.001 0.000 0.299 223 T C 0.447 175.143 174.700 -0.006 0.000 1.166 223 T CA -0.670 61.427 62.100 -0.005 0.000 1.007 223 T CB 0.793 69.662 68.868 0.002 0.000 1.219 223 T HN 0.160 nan 8.240 nan 0.000 0.506 224 V N -0.700 119.209 119.914 -0.008 0.000 3.528 224 V HA 0.553 4.673 4.120 -0.001 0.000 0.294 224 V C 0.152 176.248 176.094 0.003 0.000 1.404 224 V CA 0.227 62.523 62.300 -0.006 0.000 1.065 224 V CB 0.191 32.005 31.823 -0.015 0.000 0.904 224 V HN 0.785 nan 8.190 nan 0.000 0.435 225 D N -0.068 120.336 120.400 0.006 0.000 2.318 225 D HA 0.349 4.988 4.640 -0.001 0.000 0.233 225 D C 0.663 176.971 176.300 0.013 0.000 1.348 225 D CA -0.275 53.731 54.000 0.010 0.000 0.983 225 D CB 1.733 42.533 40.800 0.001 0.000 1.416 225 D HN 0.141 nan 8.370 nan 0.000 0.558 226 I N 1.901 122.489 120.570 0.030 0.000 2.226 226 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 226 I C 2.595 178.719 176.117 0.012 0.000 1.100 226 I CA 1.267 62.588 61.300 0.035 0.000 1.374 226 I CB 0.012 38.064 38.000 0.086 0.000 1.057 226 I HN 0.408 nan 8.210 nan 0.000 0.413 227 A N 0.455 123.280 122.820 0.008 0.000 1.908 227 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 227 A C 2.210 179.783 177.584 -0.017 0.000 1.181 227 A CA 1.873 53.904 52.037 -0.009 0.000 0.627 227 A CB -0.619 18.375 19.000 -0.010 0.000 0.818 227 A HN 0.459 nan 8.150 nan 0.000 0.445 228 E N -0.532 119.661 120.200 -0.011 0.000 2.110 228 E HA -0.120 4.230 4.350 -0.001 0.000 0.193 228 E C 1.963 178.552 176.600 -0.018 0.000 0.988 228 E CA 1.293 57.684 56.400 -0.013 0.000 0.804 228 E CB -0.217 29.478 29.700 -0.009 0.000 0.745 228 E HN 0.446 nan 8.360 nan 0.000 0.458 229 V N 1.331 121.234 119.914 -0.017 0.000 2.453 229 V HA -0.208 3.912 4.120 -0.001 0.000 0.247 229 V C 2.216 178.285 176.094 -0.042 0.000 1.048 229 V CA 1.206 63.493 62.300 -0.022 0.000 1.049 229 V CB -0.341 31.474 31.823 -0.013 0.000 0.672 229 V HN 0.283 nan 8.190 nan 0.000 0.457 230 L N -0.159 121.029 121.223 -0.058 0.000 2.362 230 L HA -0.141 4.198 4.340 -0.001 0.000 0.219 230 L C 2.404 179.225 176.870 -0.081 0.000 1.134 230 L CA 1.179 55.957 54.840 -0.104 0.000 0.807 230 L CB -0.538 41.439 42.059 -0.137 0.000 0.927 230 L HN 0.434 nan 8.230 nan 0.000 0.447 231 E N 0.183 120.353 120.200 -0.050 0.000 2.338 231 E HA -0.141 4.208 4.350 -0.001 0.000 0.197 231 E C 1.387 177.966 176.600 -0.035 0.000 1.007 231 E CA 0.543 56.920 56.400 -0.037 0.000 0.849 231 E CB 0.127 29.812 29.700 -0.025 0.000 0.774 231 E HN 0.479 nan 8.360 nan 0.000 0.506 232 R N 0.284 120.761 120.500 -0.038 0.000 2.507 232 R HA 0.093 4.433 4.340 -0.001 0.000 0.298 232 R C 1.688 177.964 176.300 -0.042 0.000 0.999 232 R CA -0.131 55.950 56.100 -0.033 0.000 1.082 232 R CB 0.190 30.475 30.300 -0.025 0.000 1.246 232 R HN 0.133 nan 8.270 nan 0.000 0.553 233 Q N 1.400 121.165 119.800 -0.058 0.000 2.077 233 Q HA -0.246 4.094 4.340 -0.001 0.000 0.206 233 Q C 1.966 177.939 176.000 -0.045 0.000 0.989 233 Q CA 2.180 57.942 55.803 -0.068 0.000 0.853 233 Q CB -0.049 28.628 28.738 -0.101 0.000 0.907 233 Q HN 0.450 nan 8.270 nan 0.000 0.418 234 A N 1.439 124.239 122.820 -0.034 0.000 1.873 234 A HA -0.297 4.022 4.320 -0.001 0.000 0.218 234 A C 1.839 179.407 177.584 -0.026 0.000 1.193 234 A CA 2.059 54.082 52.037 -0.024 0.000 0.629 234 A CB -0.900 18.089 19.000 -0.017 0.000 0.826 234 A HN 0.747 nan 8.150 nan 0.000 0.447 235 E N -0.312 119.872 120.200 -0.027 0.000 2.150 235 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 235 E C 1.849 178.426 176.600 -0.038 0.000 0.985 235 E CA 1.228 57.612 56.400 -0.027 0.000 0.814 235 E CB -0.446 29.241 29.700 -0.021 0.000 0.752 235 E HN 0.639 nan 8.360 nan 0.000 0.466 236 I N 1.407 121.952 120.570 -0.043 0.000 2.252 236 I HA -0.198 3.972 4.170 -0.001 0.000 0.245 236 I C 2.347 178.415 176.117 -0.083 0.000 1.102 236 I CA 1.284 62.550 61.300 -0.058 0.000 1.385 236 I CB -0.259 37.713 38.000 -0.047 0.000 1.064 236 I HN 0.142 nan 8.210 nan 0.000 0.414 237 E N 1.040 121.203 120.200 -0.061 0.000 2.077 237 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 237 E C 2.360 178.921 176.600 -0.066 0.000 0.989 237 E CA 1.287 57.651 56.400 -0.059 0.000 0.800 237 E CB -0.156 29.529 29.700 -0.025 0.000 0.746 237 E HN 0.505 nan 8.360 nan 0.000 0.452 238 A N 1.497 124.287 122.820 -0.050 0.000 1.902 238 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 238 A C 2.388 179.936 177.584 -0.060 0.000 1.181 238 A CA 1.685 53.697 52.037 -0.042 0.000 0.623 238 A CB -0.590 18.393 19.000 -0.029 0.000 0.818 238 A HN 0.295 nan 8.150 nan 0.000 0.443 239 A N -0.125 122.649 122.820 -0.077 0.000 1.902 239 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 239 A C 2.123 179.609 177.584 -0.163 0.000 1.181 239 A CA 1.496 53.478 52.037 -0.091 0.000 0.623 239 A CB -0.574 18.376 19.000 -0.083 0.000 0.818 239 A HN 0.497 nan 8.150 nan 0.000 0.443 240 I N -0.407 120.006 120.570 -0.262 0.000 2.226 240 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 240 I C 2.461 178.451 176.117 -0.211 0.000 1.100 240 I CA 1.564 62.581 61.300 -0.472 0.000 1.374 240 I CB -0.444 37.236 38.000 -0.534 0.000 1.057 240 I HN 0.440 nan 8.210 nan 0.000 0.413 241 E N 0.623 120.762 120.200 -0.101 0.000 2.110 241 E HA -0.279 4.070 4.350 -0.001 0.000 0.193 241 E C 2.031 178.625 176.600 -0.009 0.000 0.988 241 E CA 1.057 57.442 56.400 -0.024 0.000 0.804 241 E CB -0.048 29.644 29.700 -0.013 0.000 0.745 241 E HN 0.197 nan 8.360 nan 0.000 0.458 242 K N 1.326 121.709 120.400 -0.027 0.000 2.097 242 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 242 K C 1.850 178.452 176.600 0.003 0.000 1.050 242 K CA 1.344 57.623 56.287 -0.013 0.000 0.938 242 K CB -0.348 32.142 32.500 -0.017 0.000 0.718 242 K HN 0.089 nan 8.250 nan 0.000 0.442 243 A N 0.664 123.493 122.820 0.016 0.000 1.902 243 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 243 A C 2.254 179.910 177.584 0.119 0.000 1.181 243 A CA 1.628 53.733 52.037 0.114 0.000 0.623 243 A CB -0.642 18.491 19.000 0.221 0.000 0.818 243 A HN 0.338 nan 8.150 nan 0.000 0.443 244 I N -0.310 120.371 120.570 0.185 0.000 2.226 244 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 244 I C 2.960 179.083 176.117 0.012 0.000 1.100 244 I CA 1.077 62.495 61.300 0.196 0.000 1.374 244 I CB -0.315 37.820 38.000 0.225 0.000 1.057 244 I HN 0.369 nan 8.210 nan 0.000 0.413 245 A N 0.433 123.257 122.820 0.008 0.000 1.898 245 A HA -0.205 4.114 4.320 -0.001 0.000 0.216 245 A C 1.927 179.479 177.584 -0.053 0.000 1.181 245 A CA 1.881 53.909 52.037 -0.015 0.000 0.620 245 A CB -0.488 18.511 19.000 -0.003 0.000 0.819 245 A HN 0.344 nan 8.150 nan 0.000 0.442 246 D N -0.123 120.237 120.400 -0.067 0.000 2.224 246 D HA -0.058 4.582 4.640 -0.001 0.000 0.205 246 D C 1.053 177.263 176.300 -0.150 0.000 0.965 246 D CA 0.834 54.786 54.000 -0.080 0.000 0.852 246 D CB -0.214 40.556 40.800 -0.050 0.000 0.947 246 D HN 0.465 nan 8.370 nan 0.000 0.494 247 N N -0.480 118.039 118.700 -0.301 0.000 2.220 247 N HA 0.086 4.826 4.740 -0.001 0.000 0.195 247 N C 1.085 176.324 175.510 -0.452 0.000 1.123 247 N CA 0.598 53.355 53.050 -0.489 0.000 0.874 247 N CB 1.694 39.581 38.487 -1.000 0.000 0.995 247 N HN 0.120 nan 8.380 nan 0.000 0.498 248 G N 1.313 109.935 108.800 -0.295 0.000 2.176 248 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.252 248 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.252 248 G C -0.449 174.440 174.900 -0.020 0.000 1.024 248 G CA -0.036 44.994 45.100 -0.117 0.000 0.755 248 G HN 0.243 nan 8.290 nan 0.000 0.507 249 Y N 0.723 121.078 120.300 0.091 0.000 2.379 249 Y HA 0.363 4.913 4.550 0.000 0.000 0.337 249 Y C 1.963 177.928 175.900 0.109 0.000 1.238 249 Y CA -0.335 57.825 58.100 0.100 0.000 1.405 249 Y CB 0.902 39.449 38.460 0.144 0.000 1.310 249 Y HN 0.279 nan 8.280 nan 0.000 0.569 250 S N -0.768 115.102 115.700 0.284 0.000 2.425 250 S HA 0.098 4.568 4.470 -0.001 0.000 0.225 250 S C -0.317 174.429 174.600 0.245 0.000 1.024 250 S CA 0.731 59.066 58.200 0.224 0.000 0.951 250 S CB -0.061 63.269 63.200 0.218 0.000 0.796 250 S HN 0.720 nan 8.310 nan 0.000 0.498 251 D N -1.056 119.496 120.400 0.253 0.000 2.609 251 D HA 0.594 5.234 4.640 -0.001 0.000 0.239 251 D C -1.946 174.477 176.300 0.204 0.000 1.229 251 D CA -0.467 53.682 54.000 0.248 0.000 0.808 251 D CB 1.574 42.535 40.800 0.268 0.000 1.448 251 D HN 0.220 nan 8.370 nan 0.000 0.433 252 F N 1.453 121.459 119.950 0.093 0.000 2.536 252 F HA 0.580 5.107 4.527 -0.000 0.000 0.322 252 F C -1.500 174.342 175.800 0.069 0.000 1.144 252 F CA -0.614 57.402 58.000 0.026 0.000 0.924 252 F CB 1.297 40.335 39.000 0.063 0.000 1.181 252 F HN 0.126 nan 8.300 nan 0.000 0.438 253 V N 7.165 127.091 119.914 0.019 0.000 2.378 253 V HA 0.390 4.510 4.120 -0.001 0.000 0.288 253 V C -0.921 175.250 176.094 0.128 0.000 1.016 253 V CA -0.726 61.671 62.300 0.161 0.000 0.840 253 V CB 1.482 33.385 31.823 0.133 0.000 0.994 253 V HN 0.587 nan 8.190 nan 0.000 0.431 254 L N 6.655 128.041 121.223 0.272 0.000 2.287 254 L HA 0.652 4.991 4.340 -0.001 0.000 0.287 254 L C -0.250 176.689 176.870 0.114 0.000 1.022 254 L CA -0.076 54.903 54.840 0.232 0.000 0.814 254 L CB 1.442 43.677 42.059 0.293 0.000 1.217 254 L HN 0.635 nan 8.230 nan 0.000 0.420 255 M N 6.832 126.468 119.600 0.060 0.000 2.063 255 M HA 0.395 4.874 4.480 -0.001 0.000 0.348 255 M C -0.689 175.619 176.300 0.014 0.000 1.180 255 M CA 0.022 55.325 55.300 0.005 0.000 1.059 255 M CB 0.862 33.448 32.600 -0.023 0.000 1.544 255 M HN 0.466 nan 8.290 nan 0.000 0.447 256 I N 3.601 124.174 120.570 0.006 0.000 2.310 256 I HA 0.183 4.353 4.170 -0.001 0.000 0.287 256 I C -0.135 175.978 176.117 -0.006 0.000 1.073 256 I CA -0.231 61.075 61.300 0.011 0.000 1.216 256 I CB 0.599 38.609 38.000 0.016 0.000 1.415 256 I HN 0.584 nan 8.210 nan 0.000 0.480 257 T N 3.734 118.282 114.554 -0.010 0.000 2.728 257 T HA 0.078 4.428 4.350 -0.001 0.000 0.296 257 T C 0.016 174.711 174.700 -0.008 0.000 0.940 257 T CA -0.361 61.725 62.100 -0.022 0.000 1.013 257 T CB 0.763 69.617 68.868 -0.024 0.000 0.912 257 T HN 0.369 nan 8.240 nan 0.000 0.484 258 D N 3.633 124.032 120.400 -0.002 0.000 2.374 258 D HA 0.058 4.698 4.640 -0.001 0.000 0.240 258 D C 1.364 177.664 176.300 0.001 0.000 1.229 258 D CA -0.800 53.208 54.000 0.013 0.000 0.895 258 D CB 0.328 41.157 40.800 0.047 0.000 1.046 258 D HN 0.647 nan 8.370 nan 0.000 0.498 259 I N 0.999 121.565 120.570 -0.007 0.000 3.444 259 I HA -0.061 4.109 4.170 -0.001 0.000 0.287 259 I C 0.894 177.004 176.117 -0.011 0.000 1.302 259 I CA 0.009 61.302 61.300 -0.013 0.000 1.368 259 I CB 0.037 38.024 38.000 -0.022 0.000 1.048 259 I HN 0.188 nan 8.210 nan 0.000 0.487 260 I N 1.954 122.521 120.570 -0.005 0.000 2.429 260 I HA -0.038 4.132 4.170 -0.001 0.000 0.247 260 I C 1.732 177.853 176.117 0.008 0.000 1.099 260 I CA 1.074 62.373 61.300 -0.003 0.000 1.422 260 I CB -1.197 36.802 38.000 -0.002 0.000 1.112 260 I HN 0.346 nan 8.210 nan 0.000 0.430 261 N N 0.635 119.348 118.700 0.021 0.000 2.299 261 N HA 0.011 4.751 4.740 -0.001 0.000 0.187 261 N C -0.037 175.493 175.510 0.033 0.000 1.099 261 N CA 0.185 53.256 53.050 0.036 0.000 0.867 261 N CB 0.355 38.880 38.487 0.062 0.000 0.974 261 N HN 0.066 nan 8.380 nan 0.000 0.477 262 S N 1.476 117.183 115.700 0.012 0.000 3.667 262 S HA -0.117 4.353 4.470 -0.001 0.000 0.405 262 S C -0.679 173.901 174.600 -0.034 0.000 0.913 262 S CA 0.304 58.499 58.200 -0.009 0.000 1.288 262 S CB -1.121 62.075 63.200 -0.006 0.000 0.905 262 S HN 0.446 nan 8.310 nan 0.000 0.550 263 N N 0.036 118.701 118.700 -0.058 0.000 2.610 263 N HA 0.607 5.347 4.740 -0.001 0.000 0.264 263 N C -1.272 174.113 175.510 -0.208 0.000 1.348 263 N CA -0.686 52.246 53.050 -0.196 0.000 0.819 263 N CB 2.272 40.660 38.487 -0.164 0.000 1.521 263 N HN 0.184 nan 8.380 nan 0.000 0.497 264 S N 0.324 115.807 115.700 -0.361 0.000 2.571 264 S HA 0.271 4.741 4.470 -0.001 0.000 0.284 264 S C -0.801 173.649 174.600 -0.250 0.000 1.128 264 S CA -0.595 57.468 58.200 -0.229 0.000 0.970 264 S CB 2.399 65.484 63.200 -0.193 0.000 1.039 264 S HN 0.540 nan 8.310 nan 0.000 0.485 265 E N 2.537 122.700 120.200 -0.062 0.000 2.227 265 E HA 0.392 4.742 4.350 -0.001 0.000 0.282 265 E C -0.878 175.726 176.600 0.007 0.000 1.015 265 E CA -0.412 56.012 56.400 0.040 0.000 0.823 265 E CB 0.436 30.212 29.700 0.127 0.000 1.081 265 E HN 0.362 nan 8.360 nan 0.000 0.396 266 I N 5.389 125.970 120.570 0.018 0.000 2.321 266 I HA 0.241 4.410 4.170 -0.001 0.000 0.291 266 I C -0.682 175.505 176.117 0.116 0.000 0.998 266 I CA -0.873 60.459 61.300 0.055 0.000 1.227 266 I CB 0.840 38.910 38.000 0.117 0.000 1.368 266 I HN 0.520 nan 8.210 nan 0.000 0.466 267 L N 7.370 128.676 121.223 0.138 0.000 2.294 267 L HA 0.783 5.123 4.340 -0.001 0.000 0.283 267 L C -0.384 176.608 176.870 0.204 0.000 1.015 267 L CA -0.134 54.798 54.840 0.153 0.000 0.831 267 L CB 1.136 43.252 42.059 0.094 0.000 1.217 267 L HN 0.677 nan 8.230 nan 0.000 0.420 268 A N 6.054 129.002 122.820 0.214 0.000 2.414 268 A HA 0.905 5.224 4.320 -0.001 0.000 0.306 268 A C -1.165 176.543 177.584 0.206 0.000 1.054 268 A CA -0.476 51.713 52.037 0.253 0.000 0.724 268 A CB 1.183 20.364 19.000 0.301 0.000 1.267 268 A HN 0.632 nan 8.150 nan 0.000 0.418 269 I N 0.985 121.689 120.570 0.222 0.000 2.656 269 I HA 0.713 4.883 4.170 -0.001 0.000 0.292 269 I C 0.358 176.597 176.117 0.203 0.000 1.144 269 I CA -0.204 61.200 61.300 0.173 0.000 1.038 269 I CB 2.635 40.709 38.000 0.123 0.000 1.244 269 I HN 1.087 nan 8.210 nan 0.000 0.420 270 G N 2.468 111.368 108.800 0.166 0.000 2.317 270 G HA2 0.139 4.098 3.960 -0.001 0.000 0.293 270 G HA3 0.139 4.098 3.960 -0.001 0.000 0.293 270 G C -0.364 174.615 174.900 0.132 0.000 1.287 270 G CA -0.325 44.879 45.100 0.174 0.000 0.850 270 G HN 0.394 nan 8.290 nan 0.000 0.515 271 S N 0.086 115.865 115.700 0.131 0.000 2.548 271 S HA 0.151 4.621 4.470 -0.001 0.000 0.215 271 S C 0.778 175.413 174.600 0.058 0.000 0.976 271 S CA 0.099 58.352 58.200 0.089 0.000 0.908 271 S CB -0.024 63.230 63.200 0.089 0.000 0.781 271 S HN 0.458 nan 8.310 nan 0.000 0.519 272 N N 1.041 119.784 118.700 0.071 0.000 2.599 272 N HA 0.243 4.983 4.740 -0.001 0.000 0.309 272 N C 0.223 175.718 175.510 -0.025 0.000 1.743 272 N CA -0.113 52.913 53.050 -0.040 0.000 0.918 272 N CB 0.582 38.968 38.487 -0.168 0.000 1.339 272 N HN 0.197 nan 8.380 nan 0.000 0.493 273 M N 0.654 120.277 119.600 0.040 0.000 2.279 273 M HA -0.116 4.363 4.480 -0.001 0.000 0.264 273 M C 1.474 177.795 176.300 0.035 0.000 1.062 273 M CA 1.352 56.699 55.300 0.077 0.000 1.099 273 M CB -0.747 31.912 32.600 0.098 0.000 1.394 273 M HN 0.232 nan 8.290 nan 0.000 0.426 274 D N 0.251 120.636 120.400 -0.025 0.000 2.144 274 D HA -0.178 4.461 4.640 -0.001 0.000 0.199 274 D C 1.605 177.840 176.300 -0.108 0.000 0.984 274 D CA 1.283 55.255 54.000 -0.046 0.000 0.834 274 D CB -0.592 40.171 40.800 -0.061 0.000 0.955 274 D HN 0.344 nan 8.370 nan 0.000 0.465 275 K N 0.272 120.542 120.400 -0.216 0.000 2.155 275 K HA 0.022 4.341 4.320 -0.001 0.000 0.203 275 K C 2.283 178.750 176.600 -0.221 0.000 1.052 275 K CA 0.560 56.644 56.287 -0.339 0.000 0.948 275 K CB 0.134 32.129 32.500 -0.841 0.000 0.728 275 K HN 0.037 nan 8.250 nan 0.000 0.448 276 V N 1.883 121.740 119.914 -0.094 0.000 2.358 276 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 276 V C 1.955 177.977 176.094 -0.120 0.000 1.047 276 V CA 1.702 63.965 62.300 -0.061 0.000 1.035 276 V CB -0.343 31.595 31.823 0.191 0.000 0.658 276 V HN 0.307 nan 8.190 nan 0.000 0.452 277 E N 0.253 120.480 120.200 0.045 0.000 2.110 277 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 277 E C 2.314 178.858 176.600 -0.094 0.000 0.988 277 E CA 1.252 57.713 56.400 0.102 0.000 0.804 277 E CB -0.288 29.526 29.700 0.189 0.000 0.745 277 E HN 0.600 nan 8.360 nan 0.000 0.458 278 A N 1.420 124.162 122.820 -0.129 0.000 1.898 278 A HA -0.074 4.246 4.320 -0.001 0.000 0.216 278 A C 2.377 179.824 177.584 -0.229 0.000 1.181 278 A CA 1.533 53.483 52.037 -0.145 0.000 0.620 278 A CB -0.523 18.397 19.000 -0.133 0.000 0.819 278 A HN 0.287 nan 8.150 nan 0.000 0.442 279 A N -1.271 121.324 122.820 -0.375 0.000 1.933 279 A HA 0.037 4.357 4.320 -0.001 0.000 0.218 279 A C 1.737 178.994 177.584 -0.546 0.000 1.175 279 A CA 1.283 53.002 52.037 -0.530 0.000 0.628 279 A CB -0.611 17.898 19.000 -0.817 0.000 0.814 279 A HN 0.557 nan 8.150 nan 0.000 0.444 280 F N -0.829 118.851 119.950 -0.450 0.000 2.695 280 F HA 0.164 4.689 4.527 -0.002 0.000 0.303 280 F C 0.459 175.910 175.800 -0.582 0.000 1.091 280 F CA -0.298 57.282 58.000 -0.700 0.000 1.300 280 F CB 0.195 38.312 39.000 -1.472 0.000 1.071 280 F HN 0.157 nan 8.300 nan 0.000 0.578 281 N N 1.532 120.115 118.700 -0.196 0.000 2.727 281 N HA -0.235 4.505 4.740 -0.001 0.000 0.249 281 N C -0.898 174.674 175.510 0.103 0.000 1.048 281 N CA 1.335 54.361 53.050 -0.040 0.000 0.714 281 N CB -1.776 36.709 38.487 -0.002 0.000 0.959 281 N HN 0.435 nan 8.380 nan 0.000 0.544 282 F N -3.047 116.969 119.950 0.110 0.000 2.726 282 F HA 0.818 5.345 4.527 0.001 0.000 0.324 282 F C -0.622 175.219 175.800 0.069 0.000 1.140 282 F CA -1.779 56.275 58.000 0.090 0.000 0.964 282 F CB 0.711 39.774 39.000 0.104 0.000 1.399 282 F HN -0.246 nan 8.300 nan 0.000 0.491 283 V N 2.667 122.777 119.914 0.326 0.000 2.444 283 V HA 0.404 4.524 4.120 -0.001 0.000 0.294 283 V C -0.154 175.897 176.094 -0.071 0.000 1.022 283 V CA -0.750 61.635 62.300 0.141 0.000 0.850 283 V CB 1.459 33.322 31.823 0.068 0.000 0.992 283 V HN 0.713 nan 8.190 nan 0.000 0.426 284 L N 3.844 125.037 121.223 -0.051 0.000 2.416 284 L HA 0.464 4.803 4.340 -0.001 0.000 0.272 284 L C 0.138 176.926 176.870 -0.137 0.000 1.161 284 L CA 0.159 54.901 54.840 -0.163 0.000 0.845 284 L CB 0.705 42.749 42.059 -0.026 0.000 1.119 284 L HN 0.676 nan 8.230 nan 0.000 0.464 285 E N 3.601 123.661 120.200 -0.234 0.000 2.218 285 E HA 0.221 4.571 4.350 -0.001 0.000 0.263 285 E C -0.564 175.944 176.600 -0.153 0.000 0.879 285 E CA -0.500 55.793 56.400 -0.179 0.000 0.762 285 E CB 0.702 30.274 29.700 -0.213 0.000 1.166 285 E HN 0.441 nan 8.360 nan 0.000 0.415 286 N N 5.102 123.788 118.700 -0.022 0.000 2.727 286 N HA -0.233 4.507 4.740 -0.001 0.000 0.249 286 N C -0.752 174.845 175.510 0.146 0.000 1.048 286 N CA 1.111 54.203 53.050 0.070 0.000 0.714 286 N CB -1.016 37.542 38.487 0.118 0.000 0.959 286 N HN 0.784 nan 8.380 nan 0.000 0.544 287 N N -2.490 116.256 118.700 0.077 0.000 2.828 287 N HA -0.258 4.481 4.740 -0.001 0.000 0.248 287 N C -0.051 175.546 175.510 0.145 0.000 1.044 287 N CA 1.984 55.097 53.050 0.105 0.000 0.851 287 N CB -1.585 36.969 38.487 0.112 0.000 1.136 287 N HN 0.965 nan 8.380 nan 0.000 0.572 288 H N -3.027 116.010 119.070 -0.056 0.000 3.008 288 H HA 0.896 5.451 4.556 -0.001 0.000 0.354 288 H C -0.803 174.377 175.328 -0.247 0.000 1.252 288 H CA -0.348 55.635 56.048 -0.108 0.000 1.117 288 H CB 1.674 31.405 29.762 -0.052 0.000 1.857 288 H HN 0.210 nan 8.280 nan 0.000 0.547 289 A N 1.191 123.782 122.820 -0.381 0.000 2.608 289 A HA 0.466 4.786 4.320 -0.001 0.000 0.292 289 A C -2.058 175.389 177.584 -0.229 0.000 1.066 289 A CA -0.824 50.862 52.037 -0.585 0.000 0.676 289 A CB 1.030 19.160 19.000 -1.450 0.000 1.277 289 A HN 0.668 nan 8.150 nan 0.000 0.413 290 F N 1.136 120.971 119.950 -0.191 0.000 2.411 290 F HA 0.601 5.127 4.527 -0.001 0.000 0.350 290 F C -0.328 175.539 175.800 0.113 0.000 1.114 290 F CA -0.552 57.440 58.000 -0.014 0.000 1.135 290 F CB 1.080 40.079 39.000 -0.001 0.000 1.120 290 F HN 0.433 nan 8.300 nan 0.000 0.495 291 L N 7.209 128.198 121.223 -0.391 0.000 2.297 291 L HA 0.557 4.897 4.340 -0.001 0.000 0.277 291 L C -0.190 176.318 176.870 -0.603 0.000 1.040 291 L CA -0.399 54.260 54.840 -0.303 0.000 0.867 291 L CB 0.227 42.094 42.059 -0.320 0.000 1.244 291 L HN 0.697 nan 8.230 nan 0.000 0.433 292 A N 3.459 126.035 122.820 -0.408 0.000 2.520 292 A HA 0.477 4.797 4.320 -0.001 0.000 0.245 292 A C 1.451 178.942 177.584 -0.156 0.000 1.072 292 A CA 0.529 52.408 52.037 -0.263 0.000 0.761 292 A CB -0.339 18.722 19.000 0.102 0.000 1.004 292 A HN 1.718 nan 8.150 nan 0.000 0.499 293 G N 0.908 109.632 108.800 -0.128 0.000 2.189 293 G HA2 0.077 4.037 3.960 -0.001 0.000 0.267 293 G HA3 0.077 4.037 3.960 -0.001 0.000 0.267 293 G C 0.601 175.445 174.900 -0.094 0.000 0.975 293 G CA 0.599 45.655 45.100 -0.073 0.000 0.644 293 G HN 2.236 nan 8.290 nan 0.000 0.537 294 A N -0.041 122.685 122.820 -0.156 0.000 2.354 294 A HA 0.740 5.059 4.320 -0.001 0.000 0.281 294 A C 1.325 178.840 177.584 -0.115 0.000 1.174 294 A CA 0.732 52.686 52.037 -0.140 0.000 0.828 294 A CB 0.974 19.853 19.000 -0.202 0.000 1.099 294 A HN 1.666 nan 8.150 nan 0.000 0.516 295 V N -0.137 119.735 119.914 -0.070 0.000 3.359 295 V HA 0.326 4.445 4.120 -0.001 0.000 0.270 295 V C 0.533 176.612 176.094 -0.024 0.000 1.583 295 V CA 0.721 62.993 62.300 -0.045 0.000 1.019 295 V CB -0.313 31.494 31.823 -0.027 0.000 0.831 295 V HN 0.758 nan 8.190 nan 0.000 0.426 296 S N 1.018 116.704 115.700 -0.022 0.000 2.433 296 S HA 0.511 4.980 4.470 -0.001 0.000 0.310 296 S C 0.791 175.384 174.600 -0.011 0.000 1.097 296 S CA -0.272 57.926 58.200 -0.003 0.000 1.103 296 S CB 1.717 64.920 63.200 0.005 0.000 0.992 296 S HN 0.511 nan 8.310 nan 0.000 0.469 297 R N 4.248 124.749 120.500 0.002 0.000 2.066 297 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 297 R C 2.136 178.410 176.300 -0.044 0.000 1.131 297 R CA 1.980 58.068 56.100 -0.020 0.000 0.955 297 R CB -0.276 30.030 30.300 0.010 0.000 0.851 297 R HN 0.787 nan 8.270 nan 0.000 0.432 298 K N 0.007 120.409 120.400 0.003 0.000 2.211 298 K HA -0.154 4.166 4.320 -0.001 0.000 0.203 298 K C 1.835 178.413 176.600 -0.036 0.000 1.050 298 K CA 1.626 57.908 56.287 -0.007 0.000 0.945 298 K CB 0.023 32.532 32.500 0.015 0.000 0.732 298 K HN 0.105 nan 8.250 nan 0.000 0.451 299 K N 0.176 120.561 120.400 -0.024 0.000 2.365 299 K HA 0.074 4.393 4.320 -0.001 0.000 0.195 299 K C 1.252 177.842 176.600 -0.016 0.000 1.079 299 K CA 0.208 56.484 56.287 -0.019 0.000 0.979 299 K CB 0.605 33.102 32.500 -0.006 0.000 0.929 299 K HN 0.160 nan 8.250 nan 0.000 0.523 300 Q N -0.501 119.292 119.800 -0.012 0.000 2.189 300 Q HA 0.146 4.485 4.340 -0.001 0.000 0.223 300 Q C 0.752 176.799 176.000 0.077 0.000 0.828 300 Q CA -0.209 55.600 55.803 0.010 0.000 0.967 300 Q CB 1.729 30.457 28.738 -0.017 0.000 1.139 300 Q HN 0.022 nan 8.270 nan 0.000 0.497 301 V N -1.671 118.269 119.914 0.045 0.000 3.161 301 V HA -0.024 4.096 4.120 -0.001 0.000 0.221 301 V C 1.698 177.745 176.094 -0.078 0.000 1.296 301 V CA 0.313 62.688 62.300 0.126 0.000 1.306 301 V CB 0.382 32.251 31.823 0.076 0.000 1.171 301 V HN 0.006 nan 8.190 nan 0.000 0.513 302 V N 1.398 121.176 119.914 -0.228 0.000 2.287 302 V HA -0.135 3.985 4.120 -0.001 0.000 0.248 302 V C -0.216 175.731 176.094 -0.245 0.000 1.053 302 V CA 2.830 64.892 62.300 -0.396 0.000 1.027 302 V CB -1.704 29.794 31.823 -0.541 0.000 0.646 302 V HN 0.466 nan 8.190 nan 0.000 0.447 303 P HA -0.146 nan 4.420 nan 0.000 0.216 303 P C 1.613 178.851 177.300 -0.104 0.000 1.153 303 P CA 1.233 64.272 63.100 -0.102 0.000 0.848 303 P CB -0.033 31.628 31.700 -0.065 0.000 0.787 304 Q N -0.790 118.943 119.800 -0.112 0.000 2.079 304 Q HA -0.058 4.281 4.340 -0.001 0.000 0.200 304 Q C 2.187 178.070 176.000 -0.196 0.000 0.974 304 Q CA 1.249 56.963 55.803 -0.149 0.000 0.840 304 Q CB -1.154 27.488 28.738 -0.160 0.000 0.898 304 Q HN 0.240 nan 8.270 nan 0.000 0.430 305 L N -0.343 120.745 121.223 -0.225 0.000 2.109 305 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 305 L C 2.099 178.941 176.870 -0.048 0.000 1.086 305 L CA 1.249 55.995 54.840 -0.157 0.000 0.760 305 L CB -0.584 41.318 42.059 -0.262 0.000 0.910 305 L HN 0.274 nan 8.230 nan 0.000 0.437 306 T N -0.819 113.663 114.554 -0.121 0.000 2.708 306 T HA -0.261 4.089 4.350 -0.001 0.000 0.266 306 T C 1.762 176.463 174.700 0.002 0.000 1.037 306 T CA 1.704 63.763 62.100 -0.069 0.000 1.146 306 T CB -0.104 68.714 68.868 -0.083 0.000 0.865 306 T HN 0.392 nan 8.240 nan 0.000 0.435 307 E N 0.957 121.142 120.200 -0.025 0.000 2.047 307 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 307 E C 2.406 179.002 176.600 -0.006 0.000 0.987 307 E CA 1.488 57.876 56.400 -0.020 0.000 0.799 307 E CB -0.098 29.575 29.700 -0.045 0.000 0.752 307 E HN 0.584 nan 8.360 nan 0.000 0.449 308 S N -0.379 115.314 115.700 -0.012 0.000 2.383 308 S HA -0.123 4.347 4.470 -0.001 0.000 0.227 308 S C 1.816 176.396 174.600 -0.033 0.000 1.026 308 S CA 0.774 58.946 58.200 -0.047 0.000 0.981 308 S CB -0.644 62.489 63.200 -0.113 0.000 0.818 308 S HN 0.324 nan 8.310 nan 0.000 0.472 309 F N 2.220 122.114 119.950 -0.095 0.000 2.407 309 F HA 0.207 4.733 4.527 -0.002 0.000 0.299 309 F C 2.144 177.918 175.800 -0.043 0.000 1.097 309 F CA 0.472 58.434 58.000 -0.062 0.000 1.422 309 F CB -0.071 38.896 39.000 -0.054 0.000 1.067 309 F HN 0.249 nan 8.300 nan 0.000 0.539 310 N N -0.247 118.519 118.700 0.110 0.000 2.280 310 N HA 0.303 5.042 4.740 -0.001 0.000 0.192 310 N C 0.026 175.543 175.510 0.010 0.000 1.109 310 N CA 0.538 53.620 53.050 0.054 0.000 0.855 310 N CB 0.706 39.218 38.487 0.042 0.000 0.974 310 N HN 0.172 nan 8.380 nan 0.000 0.482 311 A N 0.000 122.812 122.820 -0.013 0.000 2.254 311 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 311 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 311 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 311 A HN 0.000 nan 8.150 nan 0.000 0.486