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 1ht1_1_F DATA FIRST_RESID 1 DATA SEQUENCE HSEMTPREIV SELDKHIIGQ DNAKRSVAIA LRNRWRRMQL NEELRHEVTP DATA SEQUENCE KNILMIGPTG VGKTEIARRL AKLANAPFIK VEATKFTEVG YVGKEVDSII DATA SEQUENCE RDLTDAAVKM VRVQAIEKNR YRAEELAEER ILDVLIPPAK NNWGQTEQQQ DATA SEQUENCE EPSAARQAFR KKLREGQLDD KEIEXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXK QKARKLKIKD AMKLLIEEEA AKLVNPEELK QDAIDAVEQH DATA SEQUENCE GIVFIDEIDK ICKRGESSGP DVSREGVQRD LLPLVEGCTV STKHGMVKTD DATA SEQUENCE HILFIASGAF QIAKPSDLIP ELQGRLPIRV ELQALTTSDF ERILTEPNAS DATA SEQUENCE ITVQYKALMA TEGVNIEFTD SGIKRIAEAA WQVNESTENI GARRLHTVLE DATA SEQUENCE RLMEEISYDA SDLSGQNITI DADYVSKHLD ALVADEDLSR FIL 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.330 175.328 0.003 0.000 0.993 1 H CA 0.000 56.027 56.048 -0.035 0.000 1.023 1 H CB 0.000 29.630 29.762 -0.219 0.000 1.292 2 S N 1.327 117.082 115.700 0.091 0.000 2.558 2 S HA -0.048 4.422 4.470 -0.000 0.000 0.291 2 S C 0.625 175.178 174.600 -0.077 0.000 1.306 2 S CA 0.282 58.479 58.200 -0.005 0.000 1.056 2 S CB 0.442 63.622 63.200 -0.034 0.000 0.836 2 S HN 0.422 nan 8.310 nan 0.000 0.504 3 E N 3.104 123.205 120.200 -0.165 0.000 2.569 3 E HA 0.181 4.531 4.350 -0.000 0.000 0.205 3 E C -0.301 176.050 176.600 -0.416 0.000 1.006 3 E CA -0.164 56.002 56.400 -0.390 0.000 0.985 3 E CB 0.286 29.855 29.700 -0.218 0.000 1.060 3 E HN 0.605 nan 8.360 nan 0.000 0.460 4 M N 2.227 121.662 119.600 -0.276 0.000 2.228 4 M HA 0.064 4.544 4.480 -0.000 0.000 0.351 4 M C 0.535 176.689 176.300 -0.243 0.000 1.233 4 M CA 0.093 55.266 55.300 -0.212 0.000 1.129 4 M CB 0.745 33.271 32.600 -0.123 0.000 1.604 4 M HN 0.041 nan 8.290 nan 0.000 0.457 5 T N 1.097 115.530 114.554 -0.200 0.000 2.860 5 T HA 0.208 4.558 4.350 -0.000 0.000 0.299 5 T C -2.127 172.517 174.700 -0.093 0.000 1.045 5 T CA -1.574 60.428 62.100 -0.164 0.000 1.071 5 T CB 0.442 69.239 68.868 -0.120 0.000 0.985 5 T HN 0.415 nan 8.240 nan 0.000 0.537 6 P HA -0.134 nan 4.420 nan 0.000 0.216 6 P C 1.750 179.037 177.300 -0.022 0.000 1.157 6 P CA 1.071 64.157 63.100 -0.023 0.000 0.880 6 P CB 0.056 31.756 31.700 -0.000 0.000 0.791 7 R N -0.110 120.375 120.500 -0.025 0.000 2.091 7 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 7 R C 2.135 178.419 176.300 -0.026 0.000 1.136 7 R CA 1.661 57.749 56.100 -0.020 0.000 0.959 7 R CB -0.366 29.922 30.300 -0.020 0.000 0.856 7 R HN 0.245 nan 8.270 nan 0.000 0.437 8 E N -0.158 120.018 120.200 -0.041 0.000 2.152 8 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 8 E C 1.877 178.456 176.600 -0.035 0.000 0.983 8 E CA 0.761 57.135 56.400 -0.043 0.000 0.818 8 E CB 0.115 29.778 29.700 -0.063 0.000 0.758 8 E HN 0.274 nan 8.360 nan 0.000 0.467 9 I N 0.525 121.074 120.570 -0.034 0.000 2.163 9 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 9 I C 2.338 178.450 176.117 -0.007 0.000 1.081 9 I CA 1.029 62.316 61.300 -0.022 0.000 1.353 9 I CB -1.072 36.918 38.000 -0.018 0.000 1.054 9 I HN 0.032 nan 8.210 nan 0.000 0.407 10 V N 0.405 120.316 119.914 -0.004 0.000 2.392 10 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 10 V C 2.774 178.868 176.094 0.000 0.000 1.059 10 V CA 2.067 64.369 62.300 0.003 0.000 1.051 10 V CB -0.865 30.961 31.823 0.005 0.000 0.658 10 V HN 0.409 nan 8.190 nan 0.000 0.455 11 S N -0.317 115.378 115.700 -0.008 0.000 2.351 11 S HA -0.284 4.186 4.470 -0.000 0.000 0.220 11 S C 2.100 176.693 174.600 -0.012 0.000 1.035 11 S CA 2.067 60.259 58.200 -0.013 0.000 1.031 11 S CB -0.322 62.867 63.200 -0.019 0.000 0.928 11 S HN 0.672 nan 8.310 nan 0.000 0.433 12 E N 0.438 120.635 120.200 -0.006 0.000 2.160 12 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 12 E C 1.716 178.345 176.600 0.048 0.000 0.991 12 E CA 0.893 57.299 56.400 0.011 0.000 0.810 12 E CB -0.407 29.299 29.700 0.010 0.000 0.742 12 E HN 0.386 nan 8.360 nan 0.000 0.466 13 L N 0.653 121.900 121.223 0.040 0.000 2.313 13 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 13 L C 1.176 178.073 176.870 0.046 0.000 1.119 13 L CA 1.339 56.217 54.840 0.063 0.000 0.809 13 L CB -0.317 41.761 42.059 0.033 0.000 0.933 13 L HN 0.052 nan 8.230 nan 0.000 0.449 14 D N -0.631 119.773 120.400 0.007 0.000 2.348 14 D HA -0.099 4.541 4.640 -0.000 0.000 0.216 14 D C 1.872 178.134 176.300 -0.064 0.000 0.970 14 D CA 0.620 54.611 54.000 -0.015 0.000 0.889 14 D CB 0.138 40.928 40.800 -0.017 0.000 0.912 14 D HN 0.272 nan 8.370 nan 0.000 0.524 15 K N -0.523 119.805 120.400 -0.121 0.000 2.432 15 K HA -0.003 4.317 4.320 -0.000 0.000 0.196 15 K C 1.077 177.337 176.600 -0.566 0.000 1.038 15 K CA 0.694 56.791 56.287 -0.317 0.000 0.986 15 K CB 0.311 32.581 32.500 -0.383 0.000 0.782 15 K HN 0.323 nan 8.250 nan 0.000 0.485 16 H N -1.351 117.705 119.070 -0.024 0.000 3.400 16 H HA 0.216 4.772 4.556 -0.000 0.000 0.251 16 H C -0.177 175.140 175.328 -0.019 0.000 1.040 16 H CA -0.014 56.018 56.048 -0.027 0.000 1.175 16 H CB 0.973 30.710 29.762 -0.042 0.000 1.487 16 H HN -0.054 nan 8.280 nan 0.000 0.505 17 I N 2.299 122.914 120.570 0.076 0.000 2.433 17 I HA 0.177 4.347 4.170 -0.000 0.000 0.292 17 I C -0.270 175.868 176.117 0.035 0.000 1.001 17 I CA -0.553 60.779 61.300 0.054 0.000 1.119 17 I CB 2.278 40.309 38.000 0.052 0.000 1.289 17 I HN -0.093 nan 8.210 nan 0.000 0.438 18 I N 5.321 125.916 120.570 0.041 0.000 2.342 18 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 18 I C 1.068 177.216 176.117 0.050 0.000 1.010 18 I CA 0.316 61.641 61.300 0.041 0.000 1.308 18 I CB 0.079 38.109 38.000 0.051 0.000 1.400 18 I HN 0.852 nan 8.210 nan 0.000 0.488 19 G N 6.666 115.490 108.800 0.040 0.000 2.552 19 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 19 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 19 G C -0.105 174.822 174.900 0.045 0.000 1.234 19 G CA -0.108 45.017 45.100 0.043 0.000 0.944 19 G HN 0.645 nan 8.290 nan 0.000 0.568 20 Q N -0.964 118.866 119.800 0.051 0.000 2.423 20 Q HA -0.241 4.099 4.340 -0.000 0.000 0.332 20 Q C 0.803 176.831 176.000 0.046 0.000 1.355 20 Q CA 1.780 57.616 55.803 0.054 0.000 0.947 20 Q CB -1.754 27.022 28.738 0.063 0.000 1.189 20 Q HN 0.965 nan 8.270 nan 0.000 0.418 21 D N 0.430 120.852 120.400 0.038 0.000 2.144 21 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 21 D C 1.425 177.745 176.300 0.034 0.000 0.978 21 D CA 1.848 55.867 54.000 0.031 0.000 0.833 21 D CB 0.100 40.915 40.800 0.025 0.000 0.961 21 D HN 0.565 nan 8.370 nan 0.000 0.470 22 N N -0.513 118.209 118.700 0.037 0.000 2.084 22 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 22 N C 1.793 177.330 175.510 0.046 0.000 1.030 22 N CA 0.979 54.052 53.050 0.038 0.000 0.849 22 N CB -0.138 38.372 38.487 0.038 0.000 1.012 22 N HN 0.187 nan 8.380 nan 0.000 0.423 23 A N 1.410 124.263 122.820 0.055 0.000 2.019 23 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 23 A C 1.982 179.603 177.584 0.062 0.000 1.164 23 A CA 1.244 53.322 52.037 0.068 0.000 0.644 23 A CB -0.216 18.833 19.000 0.083 0.000 0.805 23 A HN 0.210 nan 8.150 nan 0.000 0.449 24 K N -0.482 119.948 120.400 0.050 0.000 2.025 24 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 24 K C 2.259 178.881 176.600 0.037 0.000 1.049 24 K CA 1.579 57.890 56.287 0.041 0.000 0.933 24 K CB -0.186 32.333 32.500 0.032 0.000 0.714 24 K HN 0.417 nan 8.250 nan 0.000 0.438 25 R N 0.372 120.894 120.500 0.036 0.000 2.092 25 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 25 R C 2.487 178.812 176.300 0.041 0.000 1.119 25 R CA 1.203 57.323 56.100 0.033 0.000 0.970 25 R CB -0.183 30.134 30.300 0.029 0.000 0.864 25 R HN 0.050 nan 8.270 nan 0.000 0.440 26 S N 0.453 116.182 115.700 0.048 0.000 2.348 26 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 26 S C 2.026 176.664 174.600 0.064 0.000 1.033 26 S CA 1.202 59.436 58.200 0.056 0.000 1.010 26 S CB -0.255 62.982 63.200 0.062 0.000 0.891 26 S HN 0.090 nan 8.310 nan 0.000 0.442 27 V N 1.594 121.550 119.914 0.069 0.000 2.594 27 V HA -0.153 3.967 4.120 -0.000 0.000 0.253 27 V C 2.368 178.497 176.094 0.057 0.000 1.069 27 V CA 1.575 63.919 62.300 0.073 0.000 1.082 27 V CB -0.780 31.087 31.823 0.074 0.000 0.680 27 V HN 0.520 nan 8.190 nan 0.000 0.469 28 A N -0.373 122.474 122.820 0.045 0.000 1.968 28 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 28 A C 2.043 179.652 177.584 0.042 0.000 1.169 28 A CA 1.207 53.264 52.037 0.033 0.000 0.638 28 A CB -0.316 18.697 19.000 0.021 0.000 0.812 28 A HN 0.426 nan 8.150 nan 0.000 0.446 29 I N 0.126 120.727 120.570 0.051 0.000 2.315 29 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 29 I C 2.898 179.061 176.117 0.076 0.000 1.117 29 I CA 1.375 62.712 61.300 0.061 0.000 1.404 29 I CB -1.585 36.450 38.000 0.058 0.000 1.071 29 I HN 0.355 nan 8.210 nan 0.000 0.419 30 A N 0.997 123.863 122.820 0.077 0.000 1.877 30 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 30 A C 2.456 180.098 177.584 0.096 0.000 1.186 30 A CA 1.313 53.404 52.037 0.090 0.000 0.620 30 A CB -0.855 18.201 19.000 0.093 0.000 0.822 30 A HN 0.372 nan 8.150 nan 0.000 0.443 31 L N -1.237 120.036 121.223 0.083 0.000 1.994 31 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 31 L C 2.801 179.737 176.870 0.110 0.000 1.071 31 L CA 1.988 56.878 54.840 0.084 0.000 0.745 31 L CB -0.321 41.767 42.059 0.049 0.000 0.892 31 L HN 0.418 nan 8.230 nan 0.000 0.431 32 R N 0.554 121.112 120.500 0.097 0.000 2.127 32 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 32 R C 1.742 178.193 176.300 0.251 0.000 1.134 32 R CA 1.923 58.108 56.100 0.141 0.000 0.975 32 R CB -0.597 29.754 30.300 0.084 0.000 0.865 32 R HN 0.433 nan 8.270 nan 0.000 0.447 33 N N -0.481 118.325 118.700 0.177 0.000 2.223 33 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 33 N C 1.420 177.024 175.510 0.156 0.000 1.016 33 N CA 0.969 54.115 53.050 0.160 0.000 0.863 33 N CB 0.022 38.579 38.487 0.116 0.000 0.983 33 N HN 0.176 nan 8.380 nan 0.000 0.429 34 R N -0.790 119.809 120.500 0.165 0.000 2.148 34 R HA -0.141 4.199 4.340 -0.000 0.000 0.227 34 R C 1.631 178.035 176.300 0.174 0.000 1.103 34 R CA 0.956 57.142 56.100 0.143 0.000 0.983 34 R CB -0.222 30.171 30.300 0.155 0.000 0.874 34 R HN 0.474 nan 8.270 nan 0.000 0.451 35 W N 1.838 123.158 121.300 0.034 0.000 2.441 35 W HA -0.035 4.625 4.660 -0.000 0.000 0.302 35 W C 1.904 178.437 176.519 0.023 0.000 1.191 35 W CA 0.828 58.192 57.345 0.032 0.000 1.327 35 W CB -0.060 29.418 29.460 0.031 0.000 1.128 35 W HN -0.201 nan 8.180 nan 0.000 0.522 36 R N 0.167 120.736 120.500 0.115 0.000 2.139 36 R HA -0.197 4.143 4.340 -0.000 0.000 0.243 36 R C 2.316 178.509 176.300 -0.179 0.000 1.145 36 R CA 1.815 57.841 56.100 -0.124 0.000 0.976 36 R CB -0.568 29.789 30.300 0.094 0.000 0.866 36 R HN 0.251 nan 8.270 nan 0.000 0.449 37 R N 0.532 120.978 120.500 -0.090 0.000 2.062 37 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 37 R C 2.011 178.221 176.300 -0.149 0.000 1.136 37 R CA 1.303 57.349 56.100 -0.091 0.000 0.948 37 R CB 0.008 30.276 30.300 -0.054 0.000 0.845 37 R HN 0.041 nan 8.270 nan 0.000 0.430 38 M N 1.142 120.638 119.600 -0.173 0.000 2.435 38 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 38 M C 1.221 177.389 176.300 -0.221 0.000 1.065 38 M CA 1.314 56.509 55.300 -0.175 0.000 1.076 38 M CB -0.514 32.007 32.600 -0.131 0.000 1.403 38 M HN 0.198 nan 8.290 nan 0.000 0.454 39 Q N 0.276 119.877 119.800 -0.331 0.000 2.365 39 Q HA 0.308 4.648 4.340 -0.000 0.000 0.203 39 Q C 0.836 176.715 176.000 -0.201 0.000 0.929 39 Q CA 0.217 55.821 55.803 -0.332 0.000 0.948 39 Q CB 0.033 28.437 28.738 -0.557 0.000 1.043 39 Q HN 0.482 nan 8.270 nan 0.000 0.505 40 L N 0.805 121.939 121.223 -0.149 0.000 2.492 40 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 40 L C 0.881 177.716 176.870 -0.057 0.000 1.062 40 L CA -1.033 53.754 54.840 -0.088 0.000 0.817 40 L CB 0.464 42.485 42.059 -0.064 0.000 1.441 40 L HN 0.101 nan 8.230 nan 0.000 0.493 41 N N -1.055 117.629 118.700 -0.028 0.000 2.448 41 N HA 0.081 4.821 4.740 -0.000 0.000 0.274 41 N C 0.388 175.912 175.510 0.022 0.000 1.239 41 N CA -0.633 52.412 53.050 -0.009 0.000 0.982 41 N CB 1.402 39.885 38.487 -0.006 0.000 1.199 41 N HN 0.559 nan 8.380 nan 0.000 0.576 42 E N 0.481 120.704 120.200 0.038 0.000 2.026 42 E HA -0.346 4.004 4.350 -0.000 0.000 0.206 42 E C 1.656 178.349 176.600 0.155 0.000 1.028 42 E CA 2.185 58.643 56.400 0.096 0.000 0.845 42 E CB -0.364 29.375 29.700 0.064 0.000 0.772 42 E HN 0.755 nan 8.360 nan 0.000 0.462 43 E N -0.046 120.186 120.200 0.053 0.000 2.019 43 E HA -0.252 4.098 4.350 -0.000 0.000 0.208 43 E C 2.213 178.871 176.600 0.097 0.000 1.030 43 E CA 1.978 58.389 56.400 0.019 0.000 0.856 43 E CB -0.537 29.154 29.700 -0.016 0.000 0.781 43 E HN 0.382 nan 8.360 nan 0.000 0.471 44 L N 0.270 121.530 121.223 0.062 0.000 2.357 44 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 44 L C 2.699 179.619 176.870 0.084 0.000 1.123 44 L CA 0.914 55.790 54.840 0.061 0.000 0.782 44 L CB -0.413 41.662 42.059 0.026 0.000 0.910 44 L HN 0.204 nan 8.230 nan 0.000 0.442 45 R N -1.309 119.259 120.500 0.113 0.000 2.240 45 R HA -0.063 4.277 4.340 -0.000 0.000 0.203 45 R C 1.884 178.230 176.300 0.076 0.000 1.011 45 R CA 0.602 56.730 56.100 0.048 0.000 1.007 45 R CB -0.022 30.260 30.300 -0.030 0.000 0.911 45 R HN 0.457 nan 8.270 nan 0.000 0.468 46 H N 0.086 119.193 119.070 0.062 0.000 2.370 46 H HA 0.055 4.611 4.556 -0.000 0.000 0.304 46 H C 1.899 177.287 175.328 0.099 0.000 1.055 46 H CA 0.676 56.788 56.048 0.106 0.000 1.373 46 H CB 0.180 29.977 29.762 0.057 0.000 1.423 46 H HN 0.011 nan 8.280 nan 0.000 0.533 47 E N 0.885 121.206 120.200 0.202 0.000 2.058 47 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 47 E C 0.519 177.176 176.600 0.096 0.000 0.997 47 E CA 0.510 56.976 56.400 0.111 0.000 0.801 47 E CB -0.577 29.166 29.700 0.072 0.000 0.746 47 E HN 0.124 nan 8.360 nan 0.000 0.450 48 V N 3.639 123.617 119.914 0.107 0.000 2.450 48 V HA 0.007 4.127 4.120 -0.000 0.000 0.281 48 V C 0.590 176.769 176.094 0.142 0.000 1.019 48 V CA 0.373 62.732 62.300 0.098 0.000 1.062 48 V CB 0.188 32.056 31.823 0.076 0.000 0.979 48 V HN 0.257 nan 8.190 nan 0.000 0.477 49 T N 4.380 118.990 114.554 0.094 0.000 2.950 49 T HA 0.637 4.987 4.350 -0.000 0.000 0.288 49 T C -2.764 171.994 174.700 0.097 0.000 1.035 49 T CA -2.354 59.791 62.100 0.076 0.000 1.028 49 T CB 1.684 70.550 68.868 -0.004 0.000 1.109 49 T HN 0.383 nan 8.240 nan 0.000 0.514 50 P HA 0.165 nan 4.420 nan 0.000 0.265 50 P C -0.513 176.847 177.300 0.101 0.000 1.193 50 P CA -0.398 62.774 63.100 0.120 0.000 0.765 50 P CB 0.295 32.079 31.700 0.139 0.000 0.823 51 K N 3.218 123.675 120.400 0.094 0.000 2.183 51 K HA 0.218 4.538 4.320 -0.000 0.000 0.272 51 K C -0.055 176.601 176.600 0.094 0.000 1.113 51 K CA -0.264 56.070 56.287 0.079 0.000 0.949 51 K CB -0.326 32.216 32.500 0.070 0.000 1.365 51 K HN 0.375 nan 8.250 nan 0.000 0.420 52 N N 2.363 121.125 118.700 0.103 0.000 2.441 52 N HA 0.149 4.889 4.740 -0.000 0.000 0.251 52 N C 0.314 175.881 175.510 0.094 0.000 1.242 52 N CA 0.185 53.313 53.050 0.131 0.000 0.898 52 N CB 0.839 39.415 38.487 0.147 0.000 1.100 52 N HN 0.353 nan 8.380 nan 0.000 0.443 53 I N 0.970 121.605 120.570 0.109 0.000 2.603 53 I HA 0.290 4.460 4.170 -0.000 0.000 0.300 53 I C -0.436 175.725 176.117 0.074 0.000 1.017 53 I CA -0.980 60.372 61.300 0.087 0.000 1.098 53 I CB 1.835 39.898 38.000 0.106 0.000 1.279 53 I HN 0.163 nan 8.210 nan 0.000 0.437 54 L N 6.492 127.747 121.223 0.053 0.000 2.324 54 L HA 0.496 4.836 4.340 -0.000 0.000 0.274 54 L C -0.658 176.256 176.870 0.072 0.000 1.012 54 L CA -0.185 54.685 54.840 0.049 0.000 0.859 54 L CB 0.855 42.919 42.059 0.007 0.000 1.224 54 L HN 0.522 nan 8.230 nan 0.000 0.429 55 M N 5.945 125.608 119.600 0.105 0.000 2.146 55 M HA 0.359 4.839 4.480 -0.000 0.000 0.352 55 M C -0.701 175.700 176.300 0.168 0.000 1.343 55 M CA 0.301 55.682 55.300 0.136 0.000 1.115 55 M CB 0.638 33.348 32.600 0.184 0.000 1.657 55 M HN 0.445 nan 8.290 nan 0.000 0.471 56 I N 2.937 123.597 120.570 0.150 0.000 2.355 56 I HA 0.785 4.955 4.170 -0.000 0.000 0.288 56 I C 0.404 176.616 176.117 0.159 0.000 0.999 56 I CA -0.381 61.038 61.300 0.199 0.000 1.163 56 I CB 1.581 39.660 38.000 0.131 0.000 1.316 56 I HN 0.832 nan 8.210 nan 0.000 0.454 57 G N 6.747 115.645 108.800 0.165 0.000 2.338 57 G HA2 0.361 4.321 3.960 -0.000 0.000 0.295 57 G HA3 0.361 4.321 3.960 -0.000 0.000 0.295 57 G C -3.341 171.617 174.900 0.097 0.000 1.461 57 G CA -0.713 44.459 45.100 0.120 0.000 0.817 57 G HN 0.293 nan 8.290 nan 0.000 0.556 58 P HA 0.281 nan 4.420 nan 0.000 0.274 58 P C 0.567 177.903 177.300 0.061 0.000 1.246 58 P CA 0.092 63.225 63.100 0.055 0.000 0.795 58 P CB 0.348 32.074 31.700 0.044 0.000 1.006 59 T N -0.544 114.036 114.554 0.044 0.000 2.854 59 T HA 0.133 4.483 4.350 -0.000 0.000 0.336 59 T C 1.292 176.027 174.700 0.058 0.000 1.095 59 T CA 0.910 63.038 62.100 0.047 0.000 1.118 59 T CB -0.979 67.904 68.868 0.026 0.000 1.025 59 T HN 0.815 nan 8.240 nan 0.000 0.549 60 G N 0.472 109.307 108.800 0.058 0.000 2.410 60 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.286 60 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.286 60 G C 0.601 175.544 174.900 0.071 0.000 0.884 60 G CA 0.523 45.655 45.100 0.054 0.000 1.130 60 G HN 1.570 nan 8.290 nan 0.000 0.492 61 V N -2.802 117.164 119.914 0.086 0.000 3.477 61 V HA 0.715 4.835 4.120 -0.000 0.000 0.297 61 V C 1.477 177.624 176.094 0.089 0.000 1.433 61 V CA 0.770 63.130 62.300 0.101 0.000 1.052 61 V CB 0.211 32.097 31.823 0.105 0.000 0.895 61 V HN 2.000 nan 8.190 nan 0.000 0.438 62 G N 0.624 109.470 108.800 0.077 0.000 2.198 62 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.156 62 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.156 62 G C 0.678 175.617 174.900 0.066 0.000 1.012 62 G CA 0.227 45.364 45.100 0.061 0.000 0.692 62 G HN 0.404 nan 8.290 nan 0.000 0.492 63 K N 0.098 120.563 120.400 0.107 0.000 1.973 63 K HA -0.070 4.250 4.320 -0.000 0.000 0.212 63 K C 2.485 179.122 176.600 0.061 0.000 1.047 63 K CA 1.971 58.367 56.287 0.182 0.000 0.937 63 K CB -0.500 32.184 32.500 0.308 0.000 0.721 63 K HN 0.279 nan 8.250 nan 0.000 0.440 64 T N 1.668 116.159 114.554 -0.105 0.000 2.746 64 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 64 T C 1.747 176.262 174.700 -0.308 0.000 1.039 64 T CA 1.033 62.832 62.100 -0.501 0.000 1.142 64 T CB -0.112 68.528 68.868 -0.380 0.000 0.866 64 T HN 0.180 nan 8.240 nan 0.000 0.444 65 E N 0.960 121.069 120.200 -0.151 0.000 2.058 65 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 65 E C 2.228 178.742 176.600 -0.143 0.000 0.997 65 E CA 0.901 57.222 56.400 -0.131 0.000 0.801 65 E CB -0.407 29.264 29.700 -0.049 0.000 0.746 65 E HN 0.516 nan 8.360 nan 0.000 0.450 66 I N 0.680 121.202 120.570 -0.081 0.000 2.208 66 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 66 I C 2.403 178.459 176.117 -0.102 0.000 1.097 66 I CA 1.210 62.480 61.300 -0.050 0.000 1.363 66 I CB -0.299 37.714 38.000 0.022 0.000 1.051 66 I HN 0.016 nan 8.210 nan 0.000 0.413 67 A N 0.269 123.007 122.820 -0.136 0.000 1.968 67 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 67 A C 2.374 179.617 177.584 -0.569 0.000 1.169 67 A CA 1.267 53.209 52.037 -0.159 0.000 0.638 67 A CB -0.465 18.548 19.000 0.022 0.000 0.812 67 A HN 0.281 nan 8.150 nan 0.000 0.446 68 R N -0.889 119.213 120.500 -0.664 0.000 2.073 68 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 68 R C 2.244 178.210 176.300 -0.556 0.000 1.120 68 R CA 0.971 56.546 56.100 -0.875 0.000 0.967 68 R CB -0.072 29.911 30.300 -0.527 0.000 0.862 68 R HN 0.288 nan 8.270 nan 0.000 0.436 69 R N 0.404 120.686 120.500 -0.363 0.000 2.115 69 R HA -0.048 4.292 4.340 -0.000 0.000 0.226 69 R C 2.128 178.302 176.300 -0.209 0.000 1.100 69 R CA 0.592 56.523 56.100 -0.281 0.000 0.980 69 R CB -0.693 29.482 30.300 -0.208 0.000 0.875 69 R HN 0.294 nan 8.270 nan 0.000 0.445 70 L N 0.708 121.816 121.223 -0.191 0.000 2.027 70 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 70 L C 2.117 178.911 176.870 -0.127 0.000 1.074 70 L CA 1.846 56.619 54.840 -0.112 0.000 0.745 70 L CB -0.780 41.243 42.059 -0.059 0.000 0.898 70 L HN 0.118 nan 8.230 nan 0.000 0.433 71 A N 0.174 122.861 122.820 -0.223 0.000 1.851 71 A HA -0.306 4.014 4.320 -0.000 0.000 0.216 71 A C 2.373 179.875 177.584 -0.136 0.000 1.195 71 A CA 2.190 54.124 52.037 -0.171 0.000 0.622 71 A CB -0.719 18.060 19.000 -0.367 0.000 0.831 71 A HN 0.443 nan 8.150 nan 0.000 0.444 72 K N -0.928 119.348 120.400 -0.207 0.000 2.152 72 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 72 K C 1.761 178.297 176.600 -0.106 0.000 1.048 72 K CA 1.541 57.737 56.287 -0.151 0.000 0.933 72 K CB -0.248 32.129 32.500 -0.204 0.000 0.721 72 K HN 0.357 nan 8.250 nan 0.000 0.447 73 L N -0.012 121.148 121.223 -0.104 0.000 2.291 73 L HA 0.057 4.397 4.340 -0.000 0.000 0.214 73 L C 1.432 178.274 176.870 -0.047 0.000 1.120 73 L CA 1.468 56.268 54.840 -0.066 0.000 0.799 73 L CB -0.003 42.023 42.059 -0.054 0.000 0.925 73 L HN 0.144 nan 8.230 nan 0.000 0.446 74 A N -1.165 121.629 122.820 -0.044 0.000 2.535 74 A HA 0.181 4.501 4.320 -0.000 0.000 0.273 74 A C 0.802 178.368 177.584 -0.031 0.000 1.267 74 A CA -0.090 51.925 52.037 -0.036 0.000 0.940 74 A CB -0.663 18.318 19.000 -0.031 0.000 1.101 74 A HN 0.465 nan 8.150 nan 0.000 0.521 75 N N -0.148 118.539 118.700 -0.022 0.000 2.689 75 N HA -0.201 4.539 4.740 -0.000 0.000 0.263 75 N C 0.025 175.553 175.510 0.030 0.000 0.987 75 N CA 0.660 53.711 53.050 0.001 0.000 0.782 75 N CB -0.712 37.779 38.487 0.007 0.000 0.903 75 N HN 0.721 nan 8.380 nan 0.000 0.547 76 A N 1.190 124.032 122.820 0.037 0.000 2.320 76 A HA 0.725 5.045 4.320 -0.000 0.000 0.334 76 A C -2.414 175.238 177.584 0.113 0.000 1.147 76 A CA -1.320 50.772 52.037 0.091 0.000 0.820 76 A CB 1.142 20.204 19.000 0.103 0.000 1.218 76 A HN 0.163 nan 8.150 nan 0.000 0.482 77 P HA 0.358 nan 4.420 nan 0.000 0.271 77 P C -1.189 176.213 177.300 0.170 0.000 1.220 77 P CA 0.372 63.538 63.100 0.109 0.000 0.768 77 P CB 0.202 31.939 31.700 0.061 0.000 0.848 78 F N 4.949 124.893 119.950 -0.010 0.000 2.540 78 F HA 0.694 5.221 4.527 -0.000 0.000 0.317 78 F C -1.150 174.650 175.800 -0.000 0.000 1.104 78 F CA -1.085 56.909 58.000 -0.010 0.000 0.913 78 F CB 1.160 40.148 39.000 -0.020 0.000 1.170 78 F HN 0.141 nan 8.300 nan 0.000 0.450 79 I N 5.430 125.563 120.570 -0.729 0.000 2.686 79 I HA 0.438 4.608 4.170 -0.000 0.000 0.295 79 I C -1.833 173.875 176.117 -0.680 0.000 1.114 79 I CA -0.443 60.555 61.300 -0.502 0.000 1.038 79 I CB 1.898 39.766 38.000 -0.221 0.000 1.238 79 I HN 0.623 nan 8.210 nan 0.000 0.420 80 K N 7.639 127.842 120.400 -0.328 0.000 2.535 80 K HA 0.693 5.013 4.320 -0.000 0.000 0.253 80 K C -1.728 174.890 176.600 0.030 0.000 0.953 80 K CA -0.641 55.592 56.287 -0.090 0.000 0.863 80 K CB 1.377 33.893 32.500 0.028 0.000 1.111 80 K HN 0.542 nan 8.250 nan 0.000 0.431 81 V N 0.466 120.429 119.914 0.081 0.000 2.667 81 V HA 0.539 4.659 4.120 -0.000 0.000 0.308 81 V C -0.459 175.690 176.094 0.093 0.000 1.048 81 V CA -0.911 61.442 62.300 0.088 0.000 0.928 81 V CB 1.765 33.692 31.823 0.173 0.000 1.004 81 V HN 0.642 nan 8.190 nan 0.000 0.444 82 E N 2.313 122.530 120.200 0.027 0.000 2.115 82 E HA 0.461 4.811 4.350 -0.000 0.000 0.282 82 E C 1.087 177.694 176.600 0.012 0.000 0.987 82 E CA 0.071 56.478 56.400 0.011 0.000 0.797 82 E CB 1.817 31.498 29.700 -0.031 0.000 1.086 82 E HN 0.901 nan 8.360 nan 0.000 0.397 83 A N 3.445 126.304 122.820 0.065 0.000 1.927 83 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 83 A C 2.125 179.780 177.584 0.119 0.000 1.185 83 A CA 2.585 54.707 52.037 0.142 0.000 0.639 83 A CB -0.894 18.144 19.000 0.062 0.000 0.820 83 A HN 0.677 nan 8.150 nan 0.000 0.451 84 T N -2.232 112.324 114.554 0.003 0.000 3.007 84 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 84 T C 1.585 176.221 174.700 -0.106 0.000 1.107 84 T CA 1.504 63.585 62.100 -0.031 0.000 1.118 84 T CB -0.358 68.480 68.868 -0.051 0.000 0.889 84 T HN 0.562 nan 8.240 nan 0.000 0.506 85 K N 0.066 120.320 120.400 -0.244 0.000 2.442 85 K HA -0.042 4.278 4.320 -0.000 0.000 0.199 85 K C 0.514 176.740 176.600 -0.623 0.000 1.044 85 K CA 1.045 57.041 56.287 -0.485 0.000 0.941 85 K CB -0.287 31.783 32.500 -0.716 0.000 0.759 85 K HN 0.532 nan 8.250 nan 0.000 0.472 86 F N -1.297 118.629 119.950 -0.040 0.000 2.728 86 F HA 0.100 4.627 4.527 -0.000 0.000 0.314 86 F C 1.699 177.459 175.800 -0.067 0.000 1.094 86 F CA 0.040 58.013 58.000 -0.045 0.000 1.217 86 F CB 0.240 39.217 39.000 -0.039 0.000 1.056 86 F HN -0.051 nan 8.300 nan 0.000 0.577 87 T N -2.162 112.422 114.554 0.050 0.000 3.155 87 T HA -0.071 4.279 4.350 -0.000 0.000 0.264 87 T C 1.131 175.762 174.700 -0.116 0.000 1.160 87 T CA 1.012 63.095 62.100 -0.028 0.000 1.075 87 T CB -0.325 68.515 68.868 -0.048 0.000 0.921 87 T HN 0.392 nan 8.240 nan 0.000 0.533 88 E N 0.847 120.988 120.200 -0.099 0.000 2.489 88 E HA 0.112 4.462 4.350 -0.000 0.000 0.204 88 E C 2.037 178.582 176.600 -0.092 0.000 1.006 88 E CA 0.186 56.494 56.400 -0.153 0.000 0.936 88 E CB 0.355 30.005 29.700 -0.082 0.000 1.002 88 E HN 0.522 nan 8.360 nan 0.000 0.488 89 V N -1.084 118.820 119.914 -0.017 0.000 3.186 89 V HA 0.019 4.139 4.120 -0.000 0.000 0.270 89 V C 1.798 177.912 176.094 0.034 0.000 1.149 89 V CA 1.662 63.985 62.300 0.039 0.000 1.160 89 V CB -0.853 31.026 31.823 0.093 0.000 0.758 89 V HN 0.200 nan 8.190 nan 0.000 0.516 90 G N -1.240 107.534 108.800 -0.044 0.000 2.598 90 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.215 90 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.215 90 G C 1.210 176.259 174.900 0.248 0.000 1.131 90 G CA 0.775 45.877 45.100 0.004 0.000 0.785 90 G HN 0.680 nan 8.290 nan 0.000 0.539 91 Y N -0.963 119.346 120.300 0.016 0.000 2.432 91 Y HA 0.350 4.900 4.550 0.000 0.000 0.252 91 Y C 0.411 176.318 175.900 0.012 0.000 1.097 91 Y CA -0.085 58.022 58.100 0.010 0.000 1.250 91 Y CB 1.391 39.855 38.460 0.007 0.000 1.245 91 Y HN 0.155 nan 8.280 nan 0.000 0.522 92 V N -2.561 117.450 119.914 0.161 0.000 2.119 92 V HA 0.440 4.560 4.120 -0.000 0.000 0.328 92 V C -0.767 175.369 176.094 0.069 0.000 1.640 92 V CA -1.179 61.179 62.300 0.095 0.000 0.790 92 V CB -0.182 31.688 31.823 0.079 0.000 1.178 92 V HN 0.465 nan 8.190 nan 0.000 0.243 93 G N 1.098 109.932 108.800 0.058 0.000 2.343 93 G HA2 0.584 4.544 3.960 -0.000 0.000 0.289 93 G HA3 0.584 4.544 3.960 -0.000 0.000 0.289 93 G C -1.306 173.635 174.900 0.069 0.000 1.295 93 G CA -0.314 44.811 45.100 0.041 0.000 0.869 93 G HN 1.643 nan 8.290 nan 0.000 0.522 94 K N 0.868 121.307 120.400 0.064 0.000 2.401 94 K HA 0.495 4.815 4.320 -0.000 0.000 0.278 94 K C 0.263 177.048 176.600 0.308 0.000 1.018 94 K CA 0.039 56.410 56.287 0.140 0.000 0.981 94 K CB 0.428 32.972 32.500 0.073 0.000 0.933 94 K HN 0.489 nan 8.250 nan 0.000 0.477 95 E N 1.675 122.003 120.200 0.214 0.000 2.349 95 E HA 0.081 4.431 4.350 -0.000 0.000 0.262 95 E C 0.688 177.346 176.600 0.096 0.000 1.088 95 E CA -0.475 56.005 56.400 0.133 0.000 0.899 95 E CB 0.624 30.356 29.700 0.053 0.000 1.044 95 E HN 0.237 nan 8.360 nan 0.000 0.420 96 V N 1.317 121.105 119.914 -0.210 0.000 2.913 96 V HA -0.193 3.927 4.120 -0.000 0.000 0.260 96 V C 0.822 176.816 176.094 -0.166 0.000 1.098 96 V CA 1.504 63.509 62.300 -0.490 0.000 1.121 96 V CB -0.601 30.850 31.823 -0.621 0.000 0.714 96 V HN 0.588 nan 8.190 nan 0.000 0.487 97 D N 0.956 121.316 120.400 -0.066 0.000 2.218 97 D HA -0.142 4.498 4.640 -0.000 0.000 0.204 97 D C 2.403 178.714 176.300 0.019 0.000 0.976 97 D CA 1.596 55.584 54.000 -0.020 0.000 0.853 97 D CB -0.282 40.514 40.800 -0.007 0.000 0.939 97 D HN 0.637 nan 8.370 nan 0.000 0.481 98 S N 1.086 116.823 115.700 0.061 0.000 2.380 98 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 98 S C 2.213 176.860 174.600 0.078 0.000 1.043 98 S CA 0.778 59.031 58.200 0.088 0.000 1.038 98 S CB -0.846 62.447 63.200 0.155 0.000 0.872 98 S HN 0.301 nan 8.310 nan 0.000 0.456 99 I N 1.444 122.075 120.570 0.102 0.000 2.151 99 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 99 I C 2.176 178.308 176.117 0.026 0.000 1.080 99 I CA 1.352 62.702 61.300 0.083 0.000 1.339 99 I CB -0.476 37.581 38.000 0.094 0.000 1.039 99 I HN 0.310 nan 8.210 nan 0.000 0.409 100 I N 0.383 120.964 120.570 0.018 0.000 2.676 100 I HA -0.152 4.018 4.170 -0.000 0.000 0.259 100 I C 2.525 178.627 176.117 -0.026 0.000 1.194 100 I CA 1.270 62.568 61.300 -0.004 0.000 1.473 100 I CB -1.268 36.736 38.000 0.007 0.000 1.096 100 I HN 0.271 nan 8.210 nan 0.000 0.443 101 R N 0.787 121.277 120.500 -0.017 0.000 2.057 101 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 101 R C 1.876 178.138 176.300 -0.064 0.000 1.136 101 R CA 1.405 57.481 56.100 -0.040 0.000 0.952 101 R CB -0.226 30.069 30.300 -0.009 0.000 0.848 101 R HN 0.281 nan 8.270 nan 0.000 0.430 102 D N 1.158 121.540 120.400 -0.030 0.000 2.123 102 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 102 D C 1.583 177.853 176.300 -0.050 0.000 0.992 102 D CA 0.780 54.761 54.000 -0.032 0.000 0.833 102 D CB -0.219 40.576 40.800 -0.008 0.000 0.954 102 D HN 0.080 nan 8.370 nan 0.000 0.455 103 L N 0.540 121.732 121.223 -0.053 0.000 2.675 103 L HA -0.025 4.315 4.340 -0.000 0.000 0.238 103 L C 0.872 177.704 176.870 -0.064 0.000 1.155 103 L CA 1.159 55.963 54.840 -0.061 0.000 0.881 103 L CB -0.226 41.788 42.059 -0.074 0.000 1.008 103 L HN -0.006 nan 8.230 nan 0.000 0.443 104 T N -1.814 112.683 114.554 -0.095 0.000 3.028 104 T HA 0.032 4.382 4.350 -0.000 0.000 0.250 104 T C 1.168 175.737 174.700 -0.217 0.000 0.979 104 T CA -0.004 62.003 62.100 -0.155 0.000 1.004 104 T CB 0.507 69.254 68.868 -0.201 0.000 1.120 104 T HN 0.166 nan 8.240 nan 0.000 0.482 105 D N 1.788 122.077 120.400 -0.186 0.000 2.224 105 D HA 0.139 4.779 4.640 -0.000 0.000 0.205 105 D C 1.873 178.150 176.300 -0.039 0.000 0.965 105 D CA 0.779 54.701 54.000 -0.130 0.000 0.852 105 D CB 0.051 40.812 40.800 -0.065 0.000 0.947 105 D HN 0.420 nan 8.370 nan 0.000 0.494 106 A N 0.064 122.865 122.820 -0.031 0.000 2.169 106 A HA 0.378 4.698 4.320 -0.000 0.000 0.210 106 A C 2.001 179.591 177.584 0.010 0.000 1.168 106 A CA 0.797 52.835 52.037 0.001 0.000 0.813 106 A CB 0.100 19.105 19.000 0.008 0.000 0.861 106 A HN 0.138 nan 8.150 nan 0.000 0.481 107 A N -0.862 121.953 122.820 -0.008 0.000 2.208 107 A HA 0.341 4.661 4.320 -0.000 0.000 0.209 107 A C 1.755 179.353 177.584 0.022 0.000 1.161 107 A CA 1.251 53.294 52.037 0.010 0.000 0.782 107 A CB -0.179 18.817 19.000 -0.007 0.000 0.816 107 A HN 0.294 nan 8.150 nan 0.000 0.477 108 V N -0.940 118.985 119.914 0.018 0.000 2.806 108 V HA 0.006 4.126 4.120 -0.000 0.000 0.239 108 V C 2.123 178.253 176.094 0.059 0.000 1.113 108 V CA 1.560 63.897 62.300 0.061 0.000 1.137 108 V CB 0.255 32.148 31.823 0.116 0.000 0.865 108 V HN 0.468 nan 8.190 nan 0.000 0.482 109 K N 0.353 120.781 120.400 0.048 0.000 2.589 109 K HA -0.123 4.197 4.320 -0.000 0.000 0.195 109 K C 1.701 178.322 176.600 0.035 0.000 1.040 109 K CA 1.560 57.872 56.287 0.041 0.000 0.950 109 K CB -0.276 32.243 32.500 0.033 0.000 0.781 109 K HN 0.525 nan 8.250 nan 0.000 0.486 110 M N -1.065 118.558 119.600 0.038 0.000 2.553 110 M HA -0.048 4.432 4.480 -0.000 0.000 0.255 110 M C 1.616 177.940 176.300 0.039 0.000 1.181 110 M CA 0.941 56.263 55.300 0.037 0.000 1.210 110 M CB 0.130 32.755 32.600 0.042 0.000 1.280 110 M HN -0.019 nan 8.290 nan 0.000 0.495 111 V N -0.812 119.131 119.914 0.048 0.000 2.568 111 V HA -0.184 3.936 4.120 -0.000 0.000 0.253 111 V C 2.114 178.233 176.094 0.042 0.000 1.072 111 V CA 1.789 64.118 62.300 0.049 0.000 1.084 111 V CB -1.373 30.486 31.823 0.059 0.000 0.676 111 V HN 0.486 nan 8.190 nan 0.000 0.469 112 R N 0.165 120.691 120.500 0.043 0.000 2.055 112 R HA 0.041 4.381 4.340 -0.000 0.000 0.226 112 R C 2.399 178.716 176.300 0.028 0.000 1.135 112 R CA 1.479 57.600 56.100 0.036 0.000 0.959 112 R CB -0.505 29.819 30.300 0.040 0.000 0.854 112 R HN 0.482 nan 8.270 nan 0.000 0.431 113 V N 1.379 121.308 119.914 0.026 0.000 2.407 113 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 113 V C 1.589 177.693 176.094 0.017 0.000 1.055 113 V CA 1.646 63.957 62.300 0.018 0.000 1.049 113 V CB -0.406 31.426 31.823 0.016 0.000 0.662 113 V HN 0.389 nan 8.190 nan 0.000 0.455 114 Q N -0.614 119.198 119.800 0.021 0.000 2.291 114 Q HA 0.312 4.652 4.340 -0.000 0.000 0.211 114 Q C 1.397 177.410 176.000 0.022 0.000 0.925 114 Q CA 0.528 56.343 55.803 0.019 0.000 0.949 114 Q CB 0.155 28.905 28.738 0.021 0.000 1.015 114 Q HN 0.637 nan 8.270 nan 0.000 0.477 115 A N -0.281 122.553 122.820 0.023 0.000 2.508 115 A HA 0.164 4.484 4.320 -0.000 0.000 0.250 115 A C 1.280 178.877 177.584 0.022 0.000 1.208 115 A CA -0.128 51.923 52.037 0.024 0.000 0.960 115 A CB 0.595 19.611 19.000 0.025 0.000 1.099 115 A HN 0.216 nan 8.150 nan 0.000 0.542 116 I N 0.067 120.648 120.570 0.018 0.000 3.645 116 I HA 0.038 4.208 4.170 -0.000 0.000 0.300 116 I C 1.527 177.652 176.117 0.013 0.000 1.260 116 I CA 0.727 62.035 61.300 0.014 0.000 1.365 116 I CB -0.379 37.626 38.000 0.008 0.000 1.077 116 I HN 0.251 nan 8.210 nan 0.000 0.439 117 E N 1.071 121.281 120.200 0.016 0.000 2.042 117 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 117 E C 1.971 178.593 176.600 0.036 0.000 0.974 117 E CA 0.782 57.193 56.400 0.018 0.000 0.806 117 E CB -0.102 29.607 29.700 0.015 0.000 0.769 117 E HN 0.119 nan 8.360 nan 0.000 0.451 118 K N 1.474 121.896 120.400 0.036 0.000 2.097 118 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 118 K C 0.560 177.195 176.600 0.059 0.000 1.050 118 K CA 0.909 57.224 56.287 0.046 0.000 0.938 118 K CB -0.139 32.380 32.500 0.031 0.000 0.718 118 K HN 0.005 nan 8.250 nan 0.000 0.442 119 N N 0.544 119.271 118.700 0.046 0.000 3.271 119 N HA 0.111 4.851 4.740 -0.000 0.000 0.303 119 N C 0.240 175.775 175.510 0.042 0.000 1.415 119 N CA -0.119 52.960 53.050 0.047 0.000 1.159 119 N CB 0.521 39.028 38.487 0.033 0.000 1.432 119 N HN 0.079 nan 8.380 nan 0.000 0.521 120 R N -0.329 120.204 120.500 0.055 0.000 2.513 120 R HA 0.103 4.443 4.340 -0.000 0.000 0.245 120 R C 0.462 176.767 176.300 0.007 0.000 0.908 120 R CA 0.046 56.152 56.100 0.010 0.000 1.023 120 R CB 0.331 30.618 30.300 -0.022 0.000 1.338 120 R HN 0.226 nan 8.270 nan 0.000 0.575 121 Y N 0.223 120.524 120.300 0.003 0.000 2.481 121 Y HA 0.272 4.822 4.550 -0.000 0.000 0.258 121 Y C 1.797 177.699 175.900 0.004 0.000 1.103 121 Y CA 0.180 58.282 58.100 0.003 0.000 1.287 121 Y CB 0.565 39.026 38.460 0.002 0.000 1.108 121 Y HN -0.123 nan 8.280 nan 0.000 0.529 122 R N -0.468 120.137 120.500 0.174 0.000 2.090 122 R HA 0.049 4.389 4.340 -0.000 0.000 0.228 122 R C 2.021 178.367 176.300 0.077 0.000 1.110 122 R CA 1.104 57.264 56.100 0.101 0.000 0.973 122 R CB -0.635 29.704 30.300 0.065 0.000 0.869 122 R HN 0.245 nan 8.270 nan 0.000 0.440 123 A N 0.829 123.687 122.820 0.064 0.000 2.178 123 A HA -0.003 4.317 4.320 -0.000 0.000 0.211 123 A C 0.702 178.312 177.584 0.042 0.000 1.157 123 A CA 0.423 52.485 52.037 0.041 0.000 0.780 123 A CB 0.148 19.163 19.000 0.025 0.000 0.828 123 A HN 0.243 nan 8.150 nan 0.000 0.476 124 E N -1.006 119.231 120.200 0.062 0.000 2.815 124 E HA 0.257 4.607 4.350 -0.000 0.000 0.211 124 E C 0.022 176.694 176.600 0.121 0.000 1.004 124 E CA -0.059 56.374 56.400 0.056 0.000 1.173 124 E CB 0.460 30.154 29.700 -0.010 0.000 1.163 124 E HN 0.514 nan 8.360 nan 0.000 0.449 125 E N -0.456 119.811 120.200 0.112 0.000 3.541 125 E HA 0.115 4.465 4.350 -0.000 0.000 0.275 125 E C 0.145 176.783 176.600 0.063 0.000 1.217 125 E CA -0.174 56.291 56.400 0.109 0.000 1.883 125 E CB 0.026 29.806 29.700 0.135 0.000 1.954 125 E HN 0.032 nan 8.360 nan 0.000 0.889 126 L N 1.231 122.486 121.223 0.053 0.000 2.672 126 L HA 0.463 4.803 4.340 -0.000 0.000 0.236 126 L C 0.812 177.701 176.870 0.031 0.000 1.186 126 L CA 1.168 56.029 54.840 0.034 0.000 0.977 126 L CB -0.347 41.727 42.059 0.025 0.000 1.203 126 L HN 0.397 nan 8.230 nan 0.000 0.448 127 A N -0.522 122.321 122.820 0.037 0.000 2.425 127 A HA 0.067 4.387 4.320 -0.000 0.000 0.201 127 A C 1.651 179.253 177.584 0.029 0.000 1.431 127 A CA 0.014 52.069 52.037 0.030 0.000 1.066 127 A CB 0.241 19.259 19.000 0.030 0.000 1.318 127 A HN 0.396 nan 8.150 nan 0.000 0.534 128 E N 0.921 121.143 120.200 0.036 0.000 2.511 128 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 128 E C 0.764 177.385 176.600 0.036 0.000 1.066 128 E CA 0.782 57.204 56.400 0.036 0.000 0.871 128 E CB -0.263 29.462 29.700 0.043 0.000 0.863 128 E HN 0.665 nan 8.360 nan 0.000 0.520 129 E N 0.717 120.935 120.200 0.030 0.000 2.338 129 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 129 E C 1.762 178.373 176.600 0.018 0.000 1.007 129 E CA 0.327 56.741 56.400 0.023 0.000 0.849 129 E CB 0.064 29.774 29.700 0.017 0.000 0.774 129 E HN 0.129 nan 8.360 nan 0.000 0.506 130 R N 0.863 121.375 120.500 0.019 0.000 2.070 130 R HA -0.088 4.252 4.340 -0.000 0.000 0.233 130 R C 2.244 178.557 176.300 0.020 0.000 1.137 130 R CA 1.126 57.236 56.100 0.016 0.000 0.945 130 R CB -0.398 29.912 30.300 0.016 0.000 0.845 130 R HN 0.223 nan 8.270 nan 0.000 0.430 131 I N 0.036 120.625 120.570 0.031 0.000 2.252 131 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 131 I C 1.342 177.494 176.117 0.057 0.000 1.102 131 I CA 1.267 62.594 61.300 0.044 0.000 1.385 131 I CB 0.087 38.118 38.000 0.052 0.000 1.064 131 I HN 0.160 nan 8.210 nan 0.000 0.414 132 L N 0.488 121.743 121.223 0.053 0.000 2.362 132 L HA -0.179 4.161 4.340 -0.000 0.000 0.219 132 L C 1.600 178.455 176.870 -0.025 0.000 1.134 132 L CA 0.721 55.586 54.840 0.041 0.000 0.807 132 L CB -0.668 41.414 42.059 0.038 0.000 0.927 132 L HN 0.264 nan 8.230 nan 0.000 0.447 133 D N -0.943 119.450 120.400 -0.012 0.000 2.249 133 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 133 D C 1.955 178.239 176.300 -0.025 0.000 0.962 133 D CA 0.731 54.714 54.000 -0.029 0.000 0.860 133 D CB 0.315 41.106 40.800 -0.016 0.000 0.955 133 D HN 0.075 nan 8.370 nan 0.000 0.505 134 V N 0.259 120.173 119.914 -0.001 0.000 3.649 134 V HA 0.152 4.272 4.120 -0.000 0.000 0.275 134 V C 1.442 177.553 176.094 0.029 0.000 1.281 134 V CA 0.383 62.689 62.300 0.010 0.000 1.143 134 V CB -0.038 31.797 31.823 0.020 0.000 0.892 134 V HN 0.103 nan 8.190 nan 0.000 0.441 135 L N -0.212 121.027 121.223 0.027 0.000 2.357 135 L HA 0.346 4.686 4.340 -0.000 0.000 0.211 135 L C 0.392 177.196 176.870 -0.109 0.000 1.075 135 L CA 0.505 55.401 54.840 0.092 0.000 0.830 135 L CB 0.606 42.832 42.059 0.278 0.000 0.996 135 L HN 0.147 nan 8.230 nan 0.000 0.467 136 I N 0.520 120.953 120.570 -0.229 0.000 2.867 136 I HA 0.234 4.404 4.170 -0.000 0.000 0.282 136 I C -2.411 173.619 176.117 -0.144 0.000 1.437 136 I CA -1.874 59.259 61.300 -0.279 0.000 0.918 136 I CB 0.606 38.300 38.000 -0.510 0.000 1.612 136 I HN -0.204 nan 8.210 nan 0.000 0.592 137 P HA 0.061 nan 4.420 nan 0.000 0.247 137 P C -2.092 175.176 177.300 -0.053 0.000 1.147 137 P CA -0.358 62.710 63.100 -0.053 0.000 0.964 137 P CB -0.355 31.324 31.700 -0.034 0.000 0.944 138 P HA -0.119 nan 4.420 nan 0.000 0.268 138 P C 0.138 177.407 177.300 -0.051 0.000 1.171 138 P CA 0.493 63.568 63.100 -0.042 0.000 0.761 138 P CB 0.391 32.068 31.700 -0.039 0.000 0.786 139 A N 3.069 125.862 122.820 -0.045 0.000 2.583 139 A HA -0.048 4.272 4.320 -0.000 0.000 0.231 139 A C 0.205 177.671 177.584 -0.197 0.000 1.065 139 A CA 0.263 52.228 52.037 -0.119 0.000 0.760 139 A CB -0.165 18.723 19.000 -0.186 0.000 1.001 139 A HN 0.448 nan 8.150 nan 0.000 0.509 140 K N 2.199 122.465 120.400 -0.224 0.000 2.062 140 K HA 0.100 4.420 4.320 -0.000 0.000 0.251 140 K C 0.245 176.672 176.600 -0.289 0.000 1.113 140 K CA 1.044 57.208 56.287 -0.205 0.000 1.096 140 K CB -0.721 31.678 32.500 -0.167 0.000 1.099 140 K HN 0.777 nan 8.250 nan 0.000 0.350 141 N N 3.077 121.636 118.700 -0.236 0.000 2.520 141 N HA -0.183 4.557 4.740 -0.000 0.000 0.277 141 N C -0.704 174.596 175.510 -0.351 0.000 1.292 141 N CA -0.200 52.708 53.050 -0.237 0.000 0.634 141 N CB -0.135 38.219 38.487 -0.221 0.000 0.903 141 N HN 0.842 nan 8.380 nan 0.000 0.537 142 N N 3.042 121.604 118.700 -0.230 0.000 2.294 142 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 142 N C 1.196 176.623 175.510 -0.137 0.000 1.242 142 N CA 0.390 53.344 53.050 -0.160 0.000 0.848 142 N CB 0.325 38.810 38.487 -0.004 0.000 1.084 142 N HN 0.490 nan 8.380 nan 0.000 0.457 143 W N 1.849 123.142 121.300 -0.012 0.000 2.151 143 W HA -0.001 4.659 4.660 -0.000 0.000 0.314 143 W C 0.948 177.462 176.519 -0.009 0.000 1.142 143 W CA 1.846 59.185 57.345 -0.010 0.000 1.127 143 W CB -1.006 28.448 29.460 -0.009 0.000 1.180 143 W HN 0.792 nan 8.180 nan 0.000 0.463 144 G N -0.123 108.840 108.800 0.271 0.000 2.243 144 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.231 144 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.231 144 G C -0.446 174.513 174.900 0.098 0.000 2.559 144 G CA -0.625 44.556 45.100 0.136 0.000 1.110 144 G HN 0.106 nan 8.290 nan 0.000 0.618 145 Q N 1.054 120.900 119.800 0.077 0.000 2.084 145 Q HA 0.181 4.521 4.340 -0.000 0.000 0.230 145 Q C 1.608 177.624 176.000 0.027 0.000 0.806 145 Q CA 0.912 56.739 55.803 0.040 0.000 1.083 145 Q CB 0.625 29.374 28.738 0.018 0.000 1.208 145 Q HN 1.731 nan 8.270 nan 0.000 0.462 146 T N -2.532 112.042 114.554 0.033 0.000 7.879 146 T HA -0.291 4.059 4.350 -0.000 0.000 0.329 146 T C 0.512 175.222 174.700 0.018 0.000 1.790 146 T CA 2.212 64.325 62.100 0.023 0.000 2.688 146 T CB -1.140 67.737 68.868 0.015 0.000 2.624 146 T HN 0.516 nan 8.240 nan 0.000 1.233 147 E N -1.511 118.701 120.200 0.020 0.000 2.713 147 E HA 0.108 4.458 4.350 -0.000 0.000 0.199 147 E C 1.432 178.041 176.600 0.015 0.000 0.940 147 E CA -0.281 56.127 56.400 0.012 0.000 1.310 147 E CB 0.139 29.840 29.700 0.002 0.000 1.129 147 E HN 0.340 nan 8.360 nan 0.000 0.557 148 Q N 0.311 120.132 119.800 0.034 0.000 2.137 148 Q HA 0.004 4.344 4.340 -0.000 0.000 0.198 148 Q C 1.104 177.148 176.000 0.072 0.000 0.960 148 Q CA 1.144 56.979 55.803 0.053 0.000 0.847 148 Q CB 0.287 29.095 28.738 0.116 0.000 0.915 148 Q HN 0.416 nan 8.270 nan 0.000 0.448 149 Q N -0.402 119.438 119.800 0.066 0.000 2.280 149 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 149 Q C 1.205 177.224 176.000 0.031 0.000 0.903 149 Q CA 0.007 55.843 55.803 0.055 0.000 0.948 149 Q CB 0.557 29.323 28.738 0.047 0.000 1.058 149 Q HN 0.161 nan 8.270 nan 0.000 0.493 150 Q N 0.082 119.897 119.800 0.026 0.000 2.189 150 Q HA 0.021 4.361 4.340 -0.000 0.000 0.223 150 Q C 0.955 176.962 176.000 0.011 0.000 0.828 150 Q CA 0.138 55.951 55.803 0.017 0.000 0.967 150 Q CB 0.867 29.613 28.738 0.013 0.000 1.139 150 Q HN 0.335 nan 8.270 nan 0.000 0.497 151 E N 0.774 120.980 120.200 0.010 0.000 2.028 151 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 151 E C -0.845 175.756 176.600 0.001 0.000 0.988 151 E CA 1.008 57.406 56.400 -0.004 0.000 0.799 151 E CB -0.876 28.813 29.700 -0.018 0.000 0.755 151 E HN 0.308 nan 8.360 nan 0.000 0.447 152 P HA -0.098 nan 4.420 nan 0.000 0.213 152 P C 0.355 177.664 177.300 0.016 0.000 1.170 152 P CA 1.317 64.420 63.100 0.004 0.000 0.902 152 P CB -0.226 31.467 31.700 -0.012 0.000 0.789 153 S N -0.935 114.775 115.700 0.017 0.000 3.368 153 S HA -0.023 4.447 4.470 -0.000 0.000 0.127 153 S C 0.935 175.554 174.600 0.031 0.000 0.284 153 S CA 0.679 58.896 58.200 0.027 0.000 1.420 153 S CB -1.538 61.675 63.200 0.021 0.000 0.683 153 S HN 0.428 nan 8.310 nan 0.000 0.215 154 A N 0.348 123.194 122.820 0.044 0.000 2.373 154 A HA 0.636 4.956 4.320 -0.000 0.000 0.190 154 A C 1.504 179.142 177.584 0.089 0.000 1.544 154 A CA 0.475 52.543 52.037 0.052 0.000 1.699 154 A CB -1.025 17.994 19.000 0.032 0.000 1.614 154 A HN 0.849 nan 8.150 nan 0.000 0.667 155 A N 0.027 122.890 122.820 0.073 0.000 1.898 155 A HA 0.125 4.445 4.320 -0.000 0.000 0.214 155 A C 2.039 179.688 177.584 0.110 0.000 1.183 155 A CA 2.092 54.191 52.037 0.103 0.000 0.622 155 A CB -0.362 18.645 19.000 0.012 0.000 0.824 155 A HN 0.419 nan 8.150 nan 0.000 0.444 156 R N -0.108 120.409 120.500 0.029 0.000 2.056 156 R HA -0.045 4.295 4.340 -0.000 0.000 0.227 156 R C 2.277 178.654 176.300 0.129 0.000 1.149 156 R CA 1.981 58.094 56.100 0.022 0.000 0.937 156 R CB -0.740 29.558 30.300 -0.004 0.000 0.835 156 R HN 0.604 nan 8.270 nan 0.000 0.430 157 Q N -0.651 119.207 119.800 0.097 0.000 2.268 157 Q HA -0.188 4.152 4.340 -0.000 0.000 0.210 157 Q C 1.838 177.910 176.000 0.120 0.000 0.988 157 Q CA 1.672 57.530 55.803 0.092 0.000 0.883 157 Q CB -0.155 28.619 28.738 0.061 0.000 0.911 157 Q HN 0.476 nan 8.270 nan 0.000 0.430 158 A N -0.203 122.722 122.820 0.175 0.000 1.897 158 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 158 A C 1.515 179.182 177.584 0.139 0.000 1.181 158 A CA 0.882 53.008 52.037 0.149 0.000 0.620 158 A CB -0.456 18.647 19.000 0.172 0.000 0.821 158 A HN 0.315 nan 8.150 nan 0.000 0.443 159 F N -0.184 119.773 119.950 0.012 0.000 2.502 159 F HA 0.069 4.596 4.527 -0.000 0.000 0.298 159 F C 2.460 178.267 175.800 0.012 0.000 1.111 159 F CA 0.852 58.858 58.000 0.012 0.000 1.445 159 F CB -0.141 38.867 39.000 0.013 0.000 1.081 159 F HN 0.125 nan 8.300 nan 0.000 0.558 160 R N -0.158 120.451 120.500 0.182 0.000 2.105 160 R HA -0.025 4.315 4.340 -0.000 0.000 0.214 160 R C 2.214 178.552 176.300 0.063 0.000 1.091 160 R CA 0.660 56.824 56.100 0.107 0.000 1.007 160 R CB -0.190 30.164 30.300 0.091 0.000 0.912 160 R HN 0.114 nan 8.270 nan 0.000 0.450 161 K N 1.485 121.917 120.400 0.054 0.000 2.097 161 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 161 K C 1.483 178.086 176.600 0.005 0.000 1.049 161 K CA 1.483 57.786 56.287 0.027 0.000 0.933 161 K CB 0.175 32.690 32.500 0.024 0.000 0.717 161 K HN -0.016 nan 8.250 nan 0.000 0.442 162 K N 0.176 120.568 120.400 -0.014 0.000 2.366 162 K HA -0.049 4.271 4.320 -0.000 0.000 0.198 162 K C 1.110 177.690 176.600 -0.033 0.000 1.044 162 K CA 0.235 56.493 56.287 -0.048 0.000 0.973 162 K CB 0.137 32.566 32.500 -0.119 0.000 0.767 162 K HN 0.074 nan 8.250 nan 0.000 0.475 163 L N 1.307 122.529 121.223 -0.003 0.000 2.715 163 L HA 0.070 4.410 4.340 -0.000 0.000 0.238 163 L C 0.822 177.697 176.870 0.009 0.000 1.212 163 L CA 0.522 55.369 54.840 0.010 0.000 1.017 163 L CB -0.104 41.979 42.059 0.041 0.000 1.269 163 L HN -0.091 nan 8.230 nan 0.000 0.452 164 R N 0.295 120.796 120.500 0.001 0.000 2.317 164 R HA 0.099 4.439 4.340 -0.000 0.000 0.208 164 R C 0.629 176.925 176.300 -0.006 0.000 0.914 164 R CA 0.878 56.978 56.100 0.001 0.000 1.060 164 R CB 0.199 30.500 30.300 0.001 0.000 1.015 164 R HN 0.735 nan 8.270 nan 0.000 0.498 165 E N -3.250 116.944 120.200 -0.009 0.000 1.292 165 E HA -0.039 4.311 4.350 -0.000 0.000 0.214 165 E C 0.490 177.081 176.600 -0.015 0.000 1.047 165 E CA 0.527 56.919 56.400 -0.012 0.000 1.073 165 E CB -0.817 28.875 29.700 -0.013 0.000 4.695 165 E HN 0.030 nan 8.360 nan 0.000 0.688 166 G N 1.383 110.170 108.800 -0.021 0.000 2.367 166 G HA2 0.437 4.397 3.960 -0.000 0.000 0.280 166 G HA3 0.437 4.397 3.960 -0.000 0.000 0.280 166 G C -0.165 174.720 174.900 -0.025 0.000 1.175 166 G CA 0.763 45.847 45.100 -0.027 0.000 1.001 166 G HN 0.379 nan 8.290 nan 0.000 0.437 167 Q N 1.468 121.257 119.800 -0.018 0.000 2.834 167 Q HA 0.655 4.995 4.340 -0.000 0.000 0.381 167 Q C 0.329 176.323 176.000 -0.009 0.000 0.691 167 Q CA -0.724 55.072 55.803 -0.011 0.000 0.899 167 Q CB 0.711 29.447 28.738 -0.003 0.000 1.163 167 Q HN 1.168 nan 8.270 nan 0.000 0.475 168 L N -0.583 120.638 121.223 -0.004 0.000 4.696 168 L HA -0.093 4.247 4.340 -0.000 0.000 0.398 168 L C -1.737 175.133 176.870 -0.001 0.000 0.971 168 L CA 1.291 56.129 54.840 -0.003 0.000 1.427 168 L CB -1.436 40.620 42.059 -0.006 0.000 1.965 168 L HN 0.771 nan 8.230 nan 0.000 0.593 169 D N 2.466 122.867 120.400 0.002 0.000 2.441 169 D HA 0.308 4.948 4.640 -0.000 0.000 0.221 169 D C 0.177 176.485 176.300 0.012 0.000 1.156 169 D CA 0.292 54.295 54.000 0.005 0.000 0.896 169 D CB 0.456 41.259 40.800 0.005 0.000 1.028 169 D HN 0.566 nan 8.370 nan 0.000 0.509 170 D N 1.152 121.559 120.400 0.010 0.000 2.425 170 D HA 0.120 4.760 4.640 -0.000 0.000 0.247 170 D C 0.384 176.694 176.300 0.017 0.000 1.147 170 D CA 0.083 54.091 54.000 0.012 0.000 0.879 170 D CB 1.519 42.325 40.800 0.009 0.000 1.179 170 D HN 0.183 nan 8.370 nan 0.000 0.456 171 K N 1.380 121.792 120.400 0.019 0.000 2.071 171 K HA 0.469 4.789 4.320 -0.000 0.000 0.308 171 K C -0.489 176.121 176.600 0.017 0.000 0.953 171 K CA -0.906 55.394 56.287 0.022 0.000 0.746 171 K CB 0.712 33.231 32.500 0.031 0.000 3.469 171 K HN 0.774 nan 8.250 nan 0.000 1.213 172 E N 0.435 120.645 120.200 0.017 0.000 2.381 172 E HA 0.342 4.692 4.350 -0.000 0.000 0.281 172 E C -1.272 175.335 176.600 0.012 0.000 1.151 172 E CA -0.890 55.518 56.400 0.013 0.000 0.904 172 E CB 1.127 30.833 29.700 0.010 0.000 1.234 172 E HN 0.373 nan 8.360 nan 0.000 0.427 173 I N -2.236 118.339 120.570 0.009 0.000 3.339 173 I HA 0.622 4.792 4.170 -0.000 0.000 0.318 173 I C -1.267 174.852 176.117 0.005 0.000 1.300 173 I CA -1.006 60.298 61.300 0.007 0.000 0.906 173 I CB 0.978 38.984 38.000 0.009 0.000 1.317 173 I HN 0.712 nan 8.210 nan 0.000 0.492 211 Q N 1.235 121.035 119.800 0.000 0.000 2.499 211 Q HA 0.341 4.681 4.340 -0.000 0.000 0.213 211 Q C 1.264 177.265 176.000 0.002 0.000 0.929 211 Q CA 0.613 56.417 55.803 0.001 0.000 0.904 211 Q CB 0.826 29.564 28.738 0.000 0.000 1.052 211 Q HN 0.711 nan 8.270 nan 0.000 0.589 212 K N -2.602 117.799 120.400 0.002 0.000 2.909 212 K HA 0.176 4.496 4.320 -0.000 0.000 0.281 212 K C 0.171 176.773 176.600 0.002 0.000 2.963 212 K CA 0.890 57.178 56.287 0.002 0.000 1.574 212 K CB -1.124 31.378 32.500 0.004 0.000 3.180 212 K HN 0.241 nan 8.250 nan 0.000 0.307 213 A N 1.150 123.971 122.820 0.002 0.000 1.467 213 A HA -0.309 4.011 4.320 -0.000 0.000 0.224 213 A C 0.326 177.912 177.584 0.003 0.000 0.387 213 A CA 2.060 54.098 52.037 0.002 0.000 1.098 213 A CB -2.188 16.812 19.000 0.001 0.000 1.464 213 A HN 0.649 nan 8.150 nan 0.000 0.719 214 R N 1.287 121.789 120.500 0.003 0.000 2.466 214 R HA -0.034 4.306 4.340 -0.000 0.000 0.280 214 R C -0.067 176.235 176.300 0.005 0.000 0.926 214 R CA 1.330 57.432 56.100 0.003 0.000 1.127 214 R CB 0.011 30.313 30.300 0.003 0.000 0.871 214 R HN 0.579 nan 8.270 nan 0.000 0.421 215 K N 4.829 125.232 120.400 0.005 0.000 2.350 215 K HA 0.277 4.597 4.320 -0.000 0.000 0.279 215 K C -0.021 176.583 176.600 0.006 0.000 1.027 215 K CA -0.156 56.135 56.287 0.006 0.000 0.969 215 K CB 0.320 32.824 32.500 0.006 0.000 0.954 215 K HN 0.577 nan 8.250 nan 0.000 0.474 216 L N -0.949 120.279 121.223 0.007 0.000 2.786 216 L HA 0.659 4.999 4.340 -0.000 0.000 0.259 216 L C -1.289 175.586 176.870 0.008 0.000 1.099 216 L CA -1.384 53.460 54.840 0.007 0.000 0.995 216 L CB 1.234 43.297 42.059 0.006 0.000 1.580 216 L HN 0.355 nan 8.230 nan 0.000 0.373 217 K N -0.399 120.006 120.400 0.007 0.000 2.238 217 K HA 0.612 4.932 4.320 -0.000 0.000 0.239 217 K C 0.345 176.950 176.600 0.008 0.000 0.987 217 K CA -0.439 55.853 56.287 0.007 0.000 0.857 217 K CB 1.627 34.130 32.500 0.004 0.000 1.154 217 K HN 0.676 nan 8.250 nan 0.000 0.439 218 I N 1.157 121.733 120.570 0.009 0.000 2.286 218 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 218 I C 1.493 177.613 176.117 0.006 0.000 1.104 218 I CA 0.805 62.111 61.300 0.011 0.000 1.397 218 I CB -0.098 37.909 38.000 0.013 0.000 1.072 218 I HN 0.615 nan 8.210 nan 0.000 0.417 219 K N 0.892 121.294 120.400 0.003 0.000 2.589 219 K HA -0.190 4.130 4.320 -0.000 0.000 0.195 219 K C 0.573 177.174 176.600 0.000 0.000 1.042 219 K CA 1.347 57.634 56.287 -0.000 0.000 0.940 219 K CB -0.058 32.441 32.500 -0.002 0.000 0.776 219 K HN 0.385 nan 8.250 nan 0.000 0.487 220 D N -2.020 118.382 120.400 0.003 0.000 3.165 220 D HA 0.175 4.815 4.640 -0.000 0.000 0.264 220 D C 0.893 177.196 176.300 0.005 0.000 1.363 220 D CA 0.711 54.713 54.000 0.003 0.000 1.166 220 D CB -0.271 40.531 40.800 0.003 0.000 1.291 220 D HN 0.040 nan 8.370 nan 0.000 0.390 221 A N 0.137 122.962 122.820 0.008 0.000 2.255 221 A HA 0.121 4.441 4.320 -0.000 0.000 0.206 221 A C 1.640 179.232 177.584 0.013 0.000 1.193 221 A CA 0.891 52.934 52.037 0.011 0.000 0.794 221 A CB -0.364 18.644 19.000 0.013 0.000 0.794 221 A HN 0.208 nan 8.150 nan 0.000 0.481 222 M N -2.108 117.499 119.600 0.011 0.000 2.879 222 M HA 0.324 4.804 4.480 -0.000 0.000 0.241 222 M C 1.305 177.609 176.300 0.007 0.000 1.523 222 M CA 1.289 56.596 55.300 0.012 0.000 1.195 222 M CB 0.313 32.920 32.600 0.012 0.000 1.277 222 M HN 0.011 nan 8.290 nan 0.000 0.557 223 K N 0.395 120.798 120.400 0.004 0.000 2.155 223 K HA 0.171 4.491 4.320 -0.000 0.000 0.203 223 K C 1.569 178.171 176.600 0.002 0.000 1.052 223 K CA 0.828 57.116 56.287 0.001 0.000 0.948 223 K CB -0.500 32.000 32.500 -0.001 0.000 0.728 223 K HN 0.243 nan 8.250 nan 0.000 0.448 224 L N 0.492 121.717 121.223 0.004 0.000 2.549 224 L HA -0.042 4.298 4.340 -0.000 0.000 0.229 224 L C 1.318 178.191 176.870 0.006 0.000 1.158 224 L CA 1.098 55.941 54.840 0.004 0.000 0.842 224 L CB -0.510 41.552 42.059 0.005 0.000 0.952 224 L HN 0.208 nan 8.230 nan 0.000 0.452 225 L N -1.395 119.832 121.223 0.007 0.000 2.425 225 L HA 0.012 4.351 4.340 -0.000 0.000 0.215 225 L C 2.373 179.248 176.870 0.008 0.000 1.065 225 L CA 0.475 55.320 54.840 0.009 0.000 0.842 225 L CB -0.305 41.761 42.059 0.012 0.000 1.033 225 L HN 0.075 nan 8.230 nan 0.000 0.474 226 I N 0.598 121.171 120.570 0.005 0.000 2.113 226 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 226 I C 2.417 178.537 176.117 0.004 0.000 1.057 226 I CA 1.702 63.003 61.300 0.002 0.000 1.314 226 I CB -0.750 37.248 38.000 -0.003 0.000 1.022 226 I HN 0.325 nan 8.210 nan 0.000 0.408 227 E N -0.147 120.056 120.200 0.004 0.000 2.140 227 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 227 E C 1.907 178.511 176.600 0.007 0.000 0.973 227 E CA 0.297 56.700 56.400 0.005 0.000 0.829 227 E CB -0.142 29.560 29.700 0.004 0.000 0.781 227 E HN 0.380 nan 8.360 nan 0.000 0.466 228 E N 1.527 121.731 120.200 0.007 0.000 2.072 228 E HA -0.207 4.143 4.350 -0.000 0.000 0.218 228 E C 0.580 177.186 176.600 0.009 0.000 1.051 228 E CA 1.286 57.690 56.400 0.007 0.000 0.880 228 E CB 0.011 29.716 29.700 0.007 0.000 0.783 228 E HN -0.090 nan 8.360 nan 0.000 0.473 229 E N -1.133 119.074 120.200 0.011 0.000 1.924 229 E HA 0.360 4.710 4.350 -0.000 0.000 0.261 229 E C -0.631 175.979 176.600 0.017 0.000 1.088 229 E CA 0.459 56.867 56.400 0.014 0.000 0.909 229 E CB 0.643 30.352 29.700 0.016 0.000 1.112 229 E HN 0.357 nan 8.360 nan 0.000 0.425 230 A N 2.037 124.866 122.820 0.015 0.000 2.025 230 A HA 0.153 4.473 4.320 -0.000 0.000 0.162 230 A C 1.464 179.057 177.584 0.015 0.000 1.995 230 A CA 0.520 52.567 52.037 0.017 0.000 1.547 230 A CB -0.521 18.489 19.000 0.017 0.000 1.629 230 A HN 0.377 nan 8.150 nan 0.000 0.309 231 A N 0.240 123.067 122.820 0.012 0.000 2.168 231 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 231 A C 1.722 179.311 177.584 0.009 0.000 1.152 231 A CA 1.855 53.898 52.037 0.010 0.000 0.716 231 A CB -0.336 18.668 19.000 0.007 0.000 0.794 231 A HN 0.376 nan 8.150 nan 0.000 0.465 232 K N -1.058 119.348 120.400 0.010 0.000 2.228 232 K HA 0.095 4.415 4.320 -0.000 0.000 0.202 232 K C 1.630 178.236 176.600 0.010 0.000 1.051 232 K CA 0.608 56.901 56.287 0.009 0.000 0.960 232 K CB -0.075 32.430 32.500 0.009 0.000 0.743 232 K HN 0.398 nan 8.250 nan 0.000 0.458 233 L N -0.010 121.221 121.223 0.013 0.000 2.202 233 L HA 0.127 4.467 4.340 -0.000 0.000 0.205 233 L C -0.137 176.742 176.870 0.014 0.000 1.083 233 L CA 0.883 55.732 54.840 0.014 0.000 0.790 233 L CB 0.371 42.441 42.059 0.018 0.000 0.942 233 L HN -0.251 nan 8.230 nan 0.000 0.452 234 V N 2.574 122.497 119.914 0.015 0.000 2.455 234 V HA 0.210 4.330 4.120 -0.000 0.000 0.273 234 V C -0.032 176.070 176.094 0.012 0.000 1.045 234 V CA -0.453 61.856 62.300 0.015 0.000 0.976 234 V CB 0.295 32.128 31.823 0.016 0.000 0.993 234 V HN 0.617 nan 8.190 nan 0.000 0.475 235 N N 6.781 125.488 118.700 0.013 0.000 2.491 235 N HA 0.608 5.348 4.740 -0.000 0.000 0.279 235 N C -1.695 173.821 175.510 0.010 0.000 1.236 235 N CA -1.552 51.504 53.050 0.010 0.000 0.982 235 N CB 0.646 39.139 38.487 0.010 0.000 1.194 235 N HN 0.284 nan 8.380 nan 0.000 0.582 236 P HA 0.088 nan 4.420 nan 0.000 0.209 236 P C -0.113 177.191 177.300 0.007 0.000 1.158 236 P CA 0.813 63.914 63.100 0.002 0.000 0.899 236 P CB 0.083 31.781 31.700 -0.005 0.000 0.756 237 E N 0.728 120.932 120.200 0.006 0.000 2.506 237 E HA -0.042 4.308 4.350 -0.000 0.000 0.210 237 E C 0.597 177.207 176.600 0.017 0.000 1.325 237 E CA 0.548 56.954 56.400 0.010 0.000 1.273 237 E CB -0.329 29.376 29.700 0.008 0.000 1.276 237 E HN 0.550 nan 8.360 nan 0.000 0.442 238 E N -1.137 119.076 120.200 0.021 0.000 3.027 238 E HA 0.102 4.452 4.350 -0.000 0.000 0.221 238 E C 1.569 178.190 176.600 0.034 0.000 1.070 238 E CA -0.159 56.257 56.400 0.026 0.000 1.705 238 E CB -0.139 29.575 29.700 0.023 0.000 1.998 238 E HN 0.118 nan 8.360 nan 0.000 0.976 239 L N 2.132 123.374 121.223 0.032 0.000 1.976 239 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 239 L C 2.334 179.236 176.870 0.053 0.000 1.071 239 L CA 1.829 56.693 54.840 0.040 0.000 0.746 239 L CB -0.039 42.040 42.059 0.033 0.000 0.890 239 L HN -0.022 nan 8.230 nan 0.000 0.432 240 K N -0.931 119.499 120.400 0.050 0.000 2.217 240 K HA -0.198 4.122 4.320 -0.000 0.000 0.202 240 K C 2.189 178.836 176.600 0.078 0.000 1.051 240 K CA 1.012 57.345 56.287 0.076 0.000 0.952 240 K CB -0.092 32.429 32.500 0.034 0.000 0.736 240 K HN 0.437 nan 8.250 nan 0.000 0.453 241 Q N 1.049 120.881 119.800 0.053 0.000 2.230 241 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 241 Q C 0.635 176.664 176.000 0.049 0.000 0.963 241 Q CA 1.518 57.349 55.803 0.047 0.000 0.866 241 Q CB 0.135 28.893 28.738 0.034 0.000 0.931 241 Q HN 0.347 nan 8.270 nan 0.000 0.452 242 D N -0.034 120.399 120.400 0.054 0.000 2.234 242 D HA 0.023 4.663 4.640 -0.000 0.000 0.205 242 D C 1.601 177.939 176.300 0.064 0.000 0.962 242 D CA 0.973 55.008 54.000 0.059 0.000 0.855 242 D CB -0.052 40.787 40.800 0.066 0.000 0.951 242 D HN 0.298 nan 8.370 nan 0.000 0.500 243 A N 0.613 123.473 122.820 0.067 0.000 1.883 243 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 243 A C 2.059 179.666 177.584 0.037 0.000 1.186 243 A CA 1.070 53.142 52.037 0.059 0.000 0.624 243 A CB -0.654 18.389 19.000 0.072 0.000 0.822 243 A HN 0.125 nan 8.150 nan 0.000 0.444 244 I N 1.010 121.604 120.570 0.039 0.000 2.127 244 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 244 I C 1.871 177.989 176.117 0.002 0.000 1.075 244 I CA 1.934 63.246 61.300 0.020 0.000 1.334 244 I CB -0.632 37.386 38.000 0.030 0.000 1.040 244 I HN 0.306 nan 8.210 nan 0.000 0.405 245 D N 0.672 121.078 120.400 0.010 0.000 2.158 245 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 245 D C 2.230 178.505 176.300 -0.042 0.000 0.995 245 D CA 1.717 55.711 54.000 -0.011 0.000 0.846 245 D CB -0.449 40.365 40.800 0.023 0.000 0.941 245 D HN 0.428 nan 8.370 nan 0.000 0.456 246 A N 0.865 123.694 122.820 0.015 0.000 1.832 246 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 246 A C 2.614 180.182 177.584 -0.027 0.000 1.200 246 A CA 1.404 53.468 52.037 0.046 0.000 0.610 246 A CB -0.975 18.088 19.000 0.105 0.000 0.842 246 A HN 0.115 nan 8.150 nan 0.000 0.444 247 V N 0.651 120.556 119.914 -0.015 0.000 2.278 247 V HA -0.341 3.779 4.120 -0.000 0.000 0.251 247 V C 2.484 178.538 176.094 -0.067 0.000 1.062 247 V CA 2.522 64.800 62.300 -0.035 0.000 1.038 247 V CB -0.960 30.843 31.823 -0.034 0.000 0.646 247 V HN 0.632 nan 8.190 nan 0.000 0.447 248 E N -0.825 119.333 120.200 -0.070 0.000 2.150 248 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 248 E C 2.289 178.817 176.600 -0.120 0.000 0.985 248 E CA 1.037 57.399 56.400 -0.063 0.000 0.814 248 E CB -0.067 29.607 29.700 -0.043 0.000 0.752 248 E HN 0.616 nan 8.360 nan 0.000 0.466 249 Q N -0.735 118.891 119.800 -0.289 0.000 2.349 249 Q HA 0.021 4.361 4.340 -0.000 0.000 0.209 249 Q C 1.153 176.723 176.000 -0.716 0.000 0.920 249 Q CA 0.851 56.301 55.803 -0.587 0.000 0.901 249 Q CB 0.566 28.758 28.738 -0.911 0.000 1.021 249 Q HN 0.458 nan 8.270 nan 0.000 0.519 250 H N -1.149 117.881 119.070 -0.067 0.000 3.078 250 H HA 0.292 4.848 4.556 -0.000 0.000 0.263 250 H C 0.450 175.764 175.328 -0.024 0.000 1.177 250 H CA 0.091 56.108 56.048 -0.053 0.000 1.128 250 H CB 0.353 30.069 29.762 -0.076 0.000 1.623 250 H HN 0.048 nan 8.280 nan 0.000 0.592 251 G N 1.602 110.405 108.800 0.004 0.000 2.353 251 G HA2 0.333 4.293 3.960 -0.000 0.000 0.239 251 G HA3 0.333 4.293 3.960 -0.000 0.000 0.239 251 G C -0.111 174.753 174.900 -0.061 0.000 1.295 251 G CA -0.114 44.968 45.100 -0.030 0.000 0.884 251 G HN 0.241 nan 8.290 nan 0.000 0.537 252 I N 1.917 122.478 120.570 -0.014 0.000 2.439 252 I HA 0.198 4.368 4.170 -0.000 0.000 0.285 252 I C -0.494 175.550 176.117 -0.121 0.000 1.021 252 I CA -0.759 60.553 61.300 0.020 0.000 1.091 252 I CB 2.326 40.511 38.000 0.307 0.000 1.242 252 I HN 0.091 nan 8.210 nan 0.000 0.439 253 V N 6.722 126.467 119.914 -0.282 0.000 2.370 253 V HA 0.314 4.434 4.120 -0.000 0.000 0.283 253 V C -0.637 175.448 176.094 -0.016 0.000 1.023 253 V CA -0.553 61.594 62.300 -0.256 0.000 0.857 253 V CB 1.595 33.215 31.823 -0.338 0.000 0.985 253 V HN 0.453 nan 8.190 nan 0.000 0.443 254 F N 6.562 126.369 119.950 -0.238 0.000 2.361 254 F HA 0.596 5.123 4.527 -0.000 0.000 0.364 254 F C 0.083 175.890 175.800 0.013 0.000 1.117 254 F CA -0.619 57.361 58.000 -0.033 0.000 1.071 254 F CB 0.840 39.857 39.000 0.029 0.000 1.188 254 F HN 0.373 nan 8.300 nan 0.000 0.464 255 I N 5.701 126.110 120.570 -0.269 0.000 2.282 255 I HA 0.148 4.318 4.170 -0.000 0.000 0.290 255 I C -0.095 175.820 176.117 -0.337 0.000 1.090 255 I CA -0.543 60.658 61.300 -0.165 0.000 1.231 255 I CB 0.148 38.115 38.000 -0.055 0.000 1.434 255 I HN 0.487 nan 8.210 nan 0.000 0.487 256 D N 5.488 125.791 120.400 -0.162 0.000 2.368 256 D HA -0.008 4.632 4.640 -0.000 0.000 0.240 256 D C 0.741 177.005 176.300 -0.060 0.000 1.169 256 D CA 0.253 54.212 54.000 -0.069 0.000 0.906 256 D CB 0.644 41.546 40.800 0.169 0.000 1.187 256 D HN 0.685 nan 8.370 nan 0.000 0.435 257 E N 0.129 120.290 120.200 -0.065 0.000 2.328 257 E HA -0.325 4.025 4.350 -0.000 0.000 0.233 257 E C 0.790 177.317 176.600 -0.121 0.000 1.219 257 E CA 0.148 56.486 56.400 -0.103 0.000 0.717 257 E CB -1.867 27.792 29.700 -0.068 0.000 1.210 257 E HN 0.425 nan 8.360 nan 0.000 0.381 258 I N 2.024 122.523 120.570 -0.119 0.000 2.454 258 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 258 I C 1.953 178.003 176.117 -0.111 0.000 1.156 258 I CA 2.195 63.456 61.300 -0.066 0.000 1.433 258 I CB -0.167 37.835 38.000 0.003 0.000 1.082 258 I HN 0.444 nan 8.210 nan 0.000 0.432 259 D N 0.024 120.212 120.400 -0.353 0.000 2.264 259 D HA -0.211 4.429 4.640 -0.000 0.000 0.208 259 D C 1.474 177.621 176.300 -0.256 0.000 0.966 259 D CA 0.849 54.525 54.000 -0.542 0.000 0.864 259 D CB -0.598 39.350 40.800 -1.420 0.000 0.933 259 D HN 0.318 nan 8.370 nan 0.000 0.499 260 K N 0.622 120.910 120.400 -0.188 0.000 2.555 260 K HA 0.063 4.383 4.320 -0.000 0.000 0.193 260 K C 1.617 178.179 176.600 -0.063 0.000 1.032 260 K CA 0.241 56.462 56.287 -0.111 0.000 1.004 260 K CB 0.183 32.629 32.500 -0.091 0.000 0.804 260 K HN 0.543 nan 8.250 nan 0.000 0.496 261 I N -3.327 117.214 120.570 -0.049 0.000 3.833 261 I HA 0.222 4.392 4.170 -0.000 0.000 0.328 261 I C 0.070 176.183 176.117 -0.008 0.000 1.554 261 I CA -0.652 60.635 61.300 -0.021 0.000 1.116 261 I CB 0.064 38.061 38.000 -0.006 0.000 1.182 261 I HN -0.244 nan 8.210 nan 0.000 0.459 262 C N 1.959 121.258 119.300 -0.002 0.000 2.325 262 C HA 0.428 4.888 4.460 -0.000 0.000 0.370 262 C C 0.568 175.566 174.990 0.014 0.000 1.217 262 C CA -0.605 58.429 59.018 0.027 0.000 2.254 262 C CB 1.542 29.330 27.740 0.079 0.000 2.282 262 C HN 0.503 nan 8.230 nan 0.000 0.564 263 K N 1.467 121.879 120.400 0.020 0.000 2.322 263 K HA 0.557 4.877 4.320 -0.000 0.000 0.283 263 K C -0.533 176.075 176.600 0.014 0.000 1.042 263 K CA -0.170 56.124 56.287 0.011 0.000 0.958 263 K CB 0.688 33.194 32.500 0.010 0.000 0.984 263 K HN 0.482 nan 8.250 nan 0.000 0.473 264 R N 1.460 121.963 120.500 0.006 0.000 2.740 264 R HA 0.306 4.646 4.340 -0.000 0.000 0.282 264 R C -0.074 176.229 176.300 0.005 0.000 0.969 264 R CA -0.433 55.671 56.100 0.006 0.000 0.918 264 R CB 1.750 32.049 30.300 -0.002 0.000 1.175 264 R HN 0.886 nan 8.270 nan 0.000 0.464 265 G N 3.048 111.852 108.800 0.006 0.000 3.455 265 G HA2 0.028 3.988 3.960 -0.000 0.000 0.250 265 G HA3 0.028 3.988 3.960 -0.000 0.000 0.250 265 G C 0.277 175.179 174.900 0.003 0.000 1.071 265 G CA -0.018 45.085 45.100 0.005 0.000 1.812 265 G HN 0.699 nan 8.290 nan 0.000 0.643 266 E N -1.182 119.019 120.200 0.002 0.000 2.441 266 E HA 0.164 4.514 4.350 -0.000 0.000 0.212 266 E C 0.408 177.009 176.600 0.002 0.000 0.840 266 E CA 0.247 56.648 56.400 0.001 0.000 1.143 266 E CB 0.626 30.325 29.700 -0.001 0.000 1.153 266 E HN 0.168 nan 8.360 nan 0.000 0.539 267 S N -0.862 114.840 115.700 0.002 0.000 2.800 267 S HA 0.433 4.903 4.470 -0.000 0.000 0.293 267 S C -0.050 174.552 174.600 0.003 0.000 1.209 267 S CA 0.052 58.255 58.200 0.004 0.000 0.884 267 S CB 1.255 64.458 63.200 0.005 0.000 1.244 267 S HN 0.118 nan 8.310 nan 0.000 0.540 268 S N -0.844 114.859 115.700 0.005 0.000 2.917 268 S HA 0.236 4.706 4.470 -0.000 0.000 0.269 268 S C 1.669 176.273 174.600 0.005 0.000 1.072 268 S CA 0.964 59.167 58.200 0.004 0.000 0.967 268 S CB -0.751 62.453 63.200 0.006 0.000 0.906 268 S HN 0.803 nan 8.310 nan 0.000 0.463 269 G N 3.195 112.001 108.800 0.011 0.000 2.446 269 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 269 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 269 G C -0.269 174.634 174.900 0.005 0.000 1.168 269 G CA 1.343 46.454 45.100 0.017 0.000 0.771 269 G HN 0.596 nan 8.290 nan 0.000 0.551 270 P HA 0.038 nan 4.420 nan 0.000 0.229 270 P C 0.599 177.884 177.300 -0.026 0.000 1.160 270 P CA 0.867 63.952 63.100 -0.024 0.000 0.777 270 P CB 0.236 31.924 31.700 -0.020 0.000 0.814 271 D N 0.368 120.759 120.400 -0.014 0.000 2.084 271 D HA -0.092 4.548 4.640 -0.000 0.000 0.196 271 D C 2.094 178.385 176.300 -0.015 0.000 0.985 271 D CA 1.145 55.138 54.000 -0.012 0.000 0.826 271 D CB -0.527 40.270 40.800 -0.006 0.000 0.978 271 D HN -0.005 nan 8.370 nan 0.000 0.456 272 V N 1.107 121.014 119.914 -0.012 0.000 2.594 272 V HA -0.197 3.923 4.120 -0.000 0.000 0.253 272 V C 2.579 178.660 176.094 -0.022 0.000 1.069 272 V CA 1.609 63.901 62.300 -0.013 0.000 1.082 272 V CB -0.432 31.387 31.823 -0.006 0.000 0.680 272 V HN 0.166 nan 8.190 nan 0.000 0.469 273 S N 0.069 115.749 115.700 -0.033 0.000 2.345 273 S HA -0.211 4.259 4.470 -0.000 0.000 0.220 273 S C 2.173 176.748 174.600 -0.042 0.000 1.031 273 S CA 1.644 59.810 58.200 -0.056 0.000 0.996 273 S CB -0.094 63.050 63.200 -0.094 0.000 0.882 273 S HN 0.572 nan 8.310 nan 0.000 0.445 274 R N 1.006 121.485 120.500 -0.034 0.000 2.075 274 R HA 0.052 4.392 4.340 -0.000 0.000 0.230 274 R C 2.545 178.833 176.300 -0.020 0.000 1.140 274 R CA 1.770 57.856 56.100 -0.023 0.000 0.928 274 R CB -0.451 29.837 30.300 -0.021 0.000 0.834 274 R HN 0.489 nan 8.270 nan 0.000 0.429 275 E N -0.145 120.043 120.200 -0.019 0.000 2.333 275 E HA -0.175 4.175 4.350 -0.000 0.000 0.200 275 E C 1.895 178.478 176.600 -0.028 0.000 1.010 275 E CA 1.128 57.516 56.400 -0.020 0.000 0.841 275 E CB -0.154 29.537 29.700 -0.016 0.000 0.757 275 E HN 0.566 nan 8.360 nan 0.000 0.508 276 G N 1.009 109.792 108.800 -0.028 0.000 2.394 276 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.214 276 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.214 276 G C 1.760 176.634 174.900 -0.044 0.000 1.176 276 G CA 0.652 45.732 45.100 -0.033 0.000 0.786 276 G HN 0.163 nan 8.290 nan 0.000 0.533 277 V N 0.651 120.545 119.914 -0.033 0.000 2.469 277 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 277 V C 2.804 178.848 176.094 -0.082 0.000 1.064 277 V CA 2.005 64.277 62.300 -0.046 0.000 1.066 277 V CB -0.691 31.144 31.823 0.021 0.000 0.667 277 V HN 0.400 nan 8.190 nan 0.000 0.461 278 Q N -0.327 119.437 119.800 -0.059 0.000 2.050 278 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 278 Q C 2.620 178.567 176.000 -0.088 0.000 0.980 278 Q CA 1.226 56.987 55.803 -0.070 0.000 0.840 278 Q CB -0.206 28.504 28.738 -0.046 0.000 0.898 278 Q HN 0.507 nan 8.270 nan 0.000 0.424 279 R N 0.826 121.281 120.500 -0.074 0.000 2.092 279 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 279 R C 1.604 177.846 176.300 -0.096 0.000 1.119 279 R CA 1.060 57.115 56.100 -0.076 0.000 0.970 279 R CB -0.484 29.782 30.300 -0.056 0.000 0.864 279 R HN 0.358 nan 8.270 nan 0.000 0.440 280 D N 0.587 120.921 120.400 -0.110 0.000 2.144 280 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 280 D C 1.881 178.069 176.300 -0.187 0.000 0.984 280 D CA 0.801 54.715 54.000 -0.143 0.000 0.834 280 D CB 0.015 40.715 40.800 -0.166 0.000 0.955 280 D HN 0.041 nan 8.370 nan 0.000 0.465 281 L N 0.407 121.508 121.223 -0.202 0.000 2.240 281 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 281 L C 2.103 178.840 176.870 -0.222 0.000 1.106 281 L CA 0.457 55.158 54.840 -0.232 0.000 0.793 281 L CB -0.342 41.585 42.059 -0.220 0.000 0.927 281 L HN -0.008 nan 8.230 nan 0.000 0.446 282 L N 0.479 121.597 121.223 -0.175 0.000 1.997 282 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 282 L C -0.405 176.371 176.870 -0.157 0.000 1.074 282 L CA 2.389 57.132 54.840 -0.161 0.000 0.763 282 L CB -1.683 40.307 42.059 -0.115 0.000 0.890 282 L HN 0.178 nan 8.230 nan 0.000 0.434 283 P HA -0.192 nan 4.420 nan 0.000 0.216 283 P C 2.150 179.386 177.300 -0.106 0.000 1.153 283 P CA 1.442 64.482 63.100 -0.099 0.000 0.858 283 P CB -0.063 31.590 31.700 -0.079 0.000 0.789 284 L N -0.853 120.292 121.223 -0.130 0.000 2.042 284 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 284 L C 2.108 178.866 176.870 -0.187 0.000 1.076 284 L CA 1.720 56.504 54.840 -0.093 0.000 0.749 284 L CB -1.076 40.933 42.059 -0.083 0.000 0.893 284 L HN -0.003 nan 8.230 nan 0.000 0.432 285 V N -4.467 115.174 119.914 -0.456 0.000 3.596 285 V HA 0.082 4.202 4.120 -0.000 0.000 0.289 285 V C 1.522 177.476 176.094 -0.234 0.000 1.336 285 V CA 0.513 62.472 62.300 -0.567 0.000 1.137 285 V CB 0.290 31.594 31.823 -0.866 0.000 0.966 285 V HN 0.378 nan 8.190 nan 0.000 0.428 286 E N 1.096 121.199 120.200 -0.161 0.000 2.413 286 E HA 0.458 4.808 4.350 -0.000 0.000 0.203 286 E C 0.910 177.464 176.600 -0.077 0.000 0.957 286 E CA 0.653 56.990 56.400 -0.106 0.000 0.950 286 E CB 0.819 30.460 29.700 -0.097 0.000 0.957 286 E HN 0.816 nan 8.360 nan 0.000 0.497 287 G N 0.934 109.693 108.800 -0.067 0.000 3.306 287 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.672 287 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.672 287 G C -0.461 174.416 174.900 -0.038 0.000 1.212 287 G CA -0.557 44.510 45.100 -0.054 0.000 1.150 287 G HN 0.396 nan 8.290 nan 0.000 0.509 288 C N -0.366 118.920 119.300 -0.023 0.000 3.276 288 C HA 0.956 5.416 4.460 -0.000 0.000 0.370 288 C C 0.086 175.073 174.990 -0.005 0.000 1.624 288 C CA -0.187 58.821 59.018 -0.017 0.000 1.179 288 C CB 1.565 29.290 27.740 -0.025 0.000 1.909 288 C HN 1.288 nan 8.230 nan 0.000 0.434 289 T N 1.348 115.900 114.554 -0.004 0.000 2.812 289 T HA 0.660 5.010 4.350 -0.000 0.000 0.282 289 T C -0.600 174.101 174.700 0.002 0.000 0.990 289 T CA -0.219 61.883 62.100 0.002 0.000 0.960 289 T CB 1.361 70.232 68.868 0.005 0.000 0.948 289 T HN 0.758 nan 8.240 nan 0.000 0.438 290 V N 2.469 122.386 119.914 0.005 0.000 2.667 290 V HA 0.491 4.611 4.120 -0.000 0.000 0.308 290 V C 0.239 176.339 176.094 0.010 0.000 1.048 290 V CA -0.785 61.517 62.300 0.005 0.000 0.928 290 V CB 2.211 34.036 31.823 0.004 0.000 1.004 290 V HN 0.889 nan 8.190 nan 0.000 0.444 291 S N 2.671 118.378 115.700 0.013 0.000 2.411 291 S HA 0.466 4.936 4.470 -0.000 0.000 0.294 291 S C 0.178 174.796 174.600 0.030 0.000 1.115 291 S CA -0.461 57.752 58.200 0.022 0.000 1.071 291 S CB 0.518 63.731 63.200 0.022 0.000 0.967 291 S HN 0.969 nan 8.310 nan 0.000 0.488 292 T N 0.063 114.641 114.554 0.040 0.000 2.855 292 T HA 0.403 4.753 4.350 -0.000 0.000 0.281 292 T C 0.496 175.273 174.700 0.127 0.000 1.007 292 T CA -1.146 60.988 62.100 0.056 0.000 1.009 292 T CB 1.093 69.966 68.868 0.009 0.000 0.983 292 T HN 0.560 nan 8.240 nan 0.000 0.455 293 K N 0.764 121.285 120.400 0.202 0.000 2.743 293 K HA 0.016 4.336 4.320 -0.000 0.000 0.219 293 K C -0.197 176.572 176.600 0.282 0.000 1.003 293 K CA 0.536 56.951 56.287 0.213 0.000 1.156 293 K CB -0.477 32.128 32.500 0.174 0.000 0.932 293 K HN 0.715 nan 8.250 nan 0.000 0.490 294 H N -1.034 118.043 119.070 0.012 0.000 3.680 294 H HA 0.300 4.856 4.556 -0.000 0.000 0.260 294 H C 0.472 175.807 175.328 0.011 0.000 1.183 294 H CA 0.194 56.249 56.048 0.012 0.000 1.159 294 H CB 1.818 31.588 29.762 0.014 0.000 1.567 294 H HN 0.483 nan 8.280 nan 0.000 0.648 295 G N 0.103 108.983 108.800 0.134 0.000 2.362 295 G HA2 0.139 4.099 3.960 -0.000 0.000 0.288 295 G HA3 0.139 4.099 3.960 -0.000 0.000 0.288 295 G C -1.531 173.401 174.900 0.054 0.000 1.305 295 G CA -0.988 44.156 45.100 0.075 0.000 0.910 295 G HN 0.037 nan 8.290 nan 0.000 0.518 296 M N 1.209 120.831 119.600 0.037 0.000 2.069 296 M HA 0.586 5.066 4.480 -0.000 0.000 0.349 296 M C -0.155 176.157 176.300 0.020 0.000 1.194 296 M CA -0.372 54.943 55.300 0.026 0.000 1.081 296 M CB 1.166 33.779 32.600 0.021 0.000 1.500 296 M HN 0.414 nan 8.290 nan 0.000 0.438 297 V N 4.877 124.801 119.914 0.015 0.000 2.465 297 V HA 0.384 4.504 4.120 -0.000 0.000 0.279 297 V C 0.042 176.142 176.094 0.009 0.000 1.045 297 V CA -0.794 61.511 62.300 0.009 0.000 0.938 297 V CB 1.460 33.282 31.823 -0.000 0.000 0.986 297 V HN 0.624 nan 8.190 nan 0.000 0.467 298 K N 2.279 122.685 120.400 0.011 0.000 2.240 298 K HA 0.297 4.617 4.320 -0.000 0.000 0.271 298 K C 1.089 177.699 176.600 0.016 0.000 1.018 298 K CA -0.094 56.201 56.287 0.014 0.000 0.874 298 K CB 1.294 33.806 32.500 0.020 0.000 1.098 298 K HN 0.902 nan 8.250 nan 0.000 0.458 299 T N -0.136 114.431 114.554 0.021 0.000 3.113 299 T HA -0.032 4.318 4.350 -0.000 0.000 0.256 299 T C 0.697 175.415 174.700 0.031 0.000 1.131 299 T CA 0.727 62.859 62.100 0.053 0.000 1.074 299 T CB -0.100 68.838 68.868 0.117 0.000 0.944 299 T HN 0.571 nan 8.240 nan 0.000 0.516 300 D N 1.415 121.777 120.400 -0.062 0.000 2.292 300 D HA -0.162 4.478 4.640 -0.000 0.000 0.205 300 D C 1.189 177.191 176.300 -0.497 0.000 0.994 300 D CA 1.206 55.050 54.000 -0.259 0.000 0.897 300 D CB -0.131 40.459 40.800 -0.350 0.000 0.907 300 D HN 0.621 nan 8.370 nan 0.000 0.467 301 H N -1.316 117.762 119.070 0.013 0.000 2.649 301 H HA 0.268 4.824 4.556 0.000 0.000 0.258 301 H C 0.136 175.448 175.328 -0.027 0.000 1.165 301 H CA -0.331 55.713 56.048 -0.007 0.000 1.006 301 H CB 0.590 30.317 29.762 -0.058 0.000 1.743 301 H HN 0.122 nan 8.280 nan 0.000 0.609 302 I N 2.104 122.693 120.570 0.032 0.000 2.474 302 I HA 0.001 4.171 4.170 -0.000 0.000 0.287 302 I C 0.174 176.184 176.117 -0.178 0.000 1.048 302 I CA -0.624 60.593 61.300 -0.139 0.000 1.383 302 I CB 1.261 39.080 38.000 -0.300 0.000 1.412 302 I HN -0.043 nan 8.210 nan 0.000 0.531 303 L N 7.329 128.432 121.223 -0.201 0.000 2.312 303 L HA 0.471 4.811 4.340 -0.000 0.000 0.281 303 L C -1.242 175.486 176.870 -0.237 0.000 1.070 303 L CA 0.406 55.207 54.840 -0.066 0.000 0.805 303 L CB 0.523 42.603 42.059 0.035 0.000 1.174 303 L HN 0.228 nan 8.230 nan 0.000 0.434 304 F N 5.725 125.709 119.950 0.056 0.000 2.467 304 F HA 0.535 5.062 4.527 -0.000 0.000 0.336 304 F C -0.074 175.758 175.800 0.053 0.000 1.123 304 F CA -0.476 57.550 58.000 0.042 0.000 0.964 304 F CB 1.409 40.408 39.000 -0.001 0.000 1.136 304 F HN 0.243 nan 8.300 nan 0.000 0.447 305 I N 3.741 124.450 120.570 0.231 0.000 2.405 305 I HA 0.502 4.672 4.170 -0.000 0.000 0.280 305 I C -0.013 176.057 176.117 -0.078 0.000 1.027 305 I CA -0.593 60.805 61.300 0.163 0.000 1.161 305 I CB 1.000 39.209 38.000 0.348 0.000 1.300 305 I HN 0.674 nan 8.210 nan 0.000 0.463 306 A N 4.618 127.398 122.820 -0.067 0.000 2.271 306 A HA 0.778 5.098 4.320 -0.000 0.000 0.288 306 A C -0.082 177.370 177.584 -0.220 0.000 1.094 306 A CA -0.308 51.626 52.037 -0.171 0.000 0.828 306 A CB 1.356 20.334 19.000 -0.035 0.000 1.091 306 A HN 0.593 nan 8.150 nan 0.000 0.493 307 S N -0.914 114.639 115.700 -0.246 0.000 2.541 307 S HA 0.777 5.247 4.470 -0.000 0.000 0.271 307 S C -0.416 174.170 174.600 -0.024 0.000 1.133 307 S CA 0.187 58.325 58.200 -0.103 0.000 0.876 307 S CB 1.535 64.620 63.200 -0.193 0.000 1.105 307 S HN 2.024 nan 8.310 nan 0.000 0.470 308 G N 0.687 109.527 108.800 0.068 0.000 2.660 308 G HA2 0.673 4.633 3.960 -0.000 0.000 0.290 308 G HA3 0.673 4.633 3.960 -0.000 0.000 0.290 308 G C 0.123 174.986 174.900 -0.061 0.000 1.432 308 G CA -0.025 44.956 45.100 -0.197 0.000 0.807 308 G HN 1.110 nan 8.290 nan 0.000 0.485 309 A N -0.765 121.921 122.820 -0.224 0.000 1.993 309 A HA 0.573 4.893 4.320 -0.000 0.000 0.207 309 A C 0.762 178.385 177.584 0.066 0.000 1.224 309 A CA 0.414 52.431 52.037 -0.034 0.000 0.749 309 A CB -0.425 18.538 19.000 -0.061 0.000 0.884 309 A HN 1.354 nan 8.150 nan 0.000 0.467 310 F N -0.781 119.173 119.950 0.007 0.000 2.891 310 F HA -0.222 4.305 4.527 -0.000 0.000 0.272 310 F C 1.176 176.978 175.800 0.004 0.000 1.004 310 F CA 1.029 59.031 58.000 0.004 0.000 0.938 310 F CB -1.700 37.302 39.000 0.004 0.000 0.939 310 F HN 0.379 nan 8.300 nan 0.000 0.833 311 Q N 0.922 120.763 119.800 0.069 0.000 2.387 311 Q HA 0.133 4.473 4.340 -0.000 0.000 0.212 311 Q C 2.238 178.266 176.000 0.046 0.000 0.925 311 Q CA 1.257 57.093 55.803 0.054 0.000 0.901 311 Q CB 0.167 28.915 28.738 0.017 0.000 1.020 311 Q HN 0.573 nan 8.270 nan 0.000 0.545 312 I N -1.880 118.704 120.570 0.023 0.000 2.494 312 I HA 0.332 4.502 4.170 -0.000 0.000 0.250 312 I C 0.852 177.001 176.117 0.054 0.000 1.112 312 I CA 0.791 62.104 61.300 0.021 0.000 1.438 312 I CB -1.481 36.514 38.000 -0.009 0.000 1.111 312 I HN -0.002 nan 8.210 nan 0.000 0.431 313 A N 1.045 123.921 122.820 0.092 0.000 2.312 313 A HA 0.765 5.085 4.320 -0.000 0.000 0.310 313 A C -0.323 177.466 177.584 0.343 0.000 1.139 313 A CA -0.617 51.523 52.037 0.172 0.000 0.886 313 A CB 1.311 20.407 19.000 0.160 0.000 1.350 313 A HN 0.292 nan 8.150 nan 0.000 0.479 314 K N -0.316 120.245 120.400 0.268 0.000 2.435 314 K HA 0.439 4.759 4.320 -0.000 0.000 0.251 314 K C -2.353 174.195 176.600 -0.086 0.000 0.954 314 K CA -1.767 54.578 56.287 0.097 0.000 0.820 314 K CB 2.095 34.598 32.500 0.005 0.000 1.292 314 K HN 0.202 nan 8.250 nan 0.000 0.436 315 P HA -0.245 nan 4.420 nan 0.000 0.218 315 P C 0.749 177.950 177.300 -0.166 0.000 1.146 315 P CA 1.393 64.189 63.100 -0.507 0.000 0.820 315 P CB 0.162 31.514 31.700 -0.580 0.000 0.778 316 S N -2.516 113.115 115.700 -0.115 0.000 2.607 316 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 316 S C 1.285 175.875 174.600 -0.018 0.000 0.969 316 S CA 0.574 58.740 58.200 -0.057 0.000 0.927 316 S CB -0.661 62.509 63.200 -0.050 0.000 0.772 316 S HN 0.061 nan 8.310 nan 0.000 0.533 317 D N 0.616 121.023 120.400 0.012 0.000 2.339 317 D HA 0.257 4.897 4.640 -0.000 0.000 0.217 317 D C 0.042 176.365 176.300 0.039 0.000 1.050 317 D CA -0.064 53.957 54.000 0.035 0.000 0.856 317 D CB 0.005 40.845 40.800 0.067 0.000 0.922 317 D HN 0.290 nan 8.370 nan 0.000 0.518 318 L N 1.755 122.999 121.223 0.035 0.000 2.439 318 L HA 0.213 4.553 4.340 -0.000 0.000 0.269 318 L C 0.713 177.582 176.870 -0.002 0.000 1.179 318 L CA -0.568 54.289 54.840 0.029 0.000 0.828 318 L CB 0.413 42.485 42.059 0.021 0.000 1.106 318 L HN 0.044 nan 8.230 nan 0.000 0.467 319 I N 1.543 122.106 120.570 -0.011 0.000 2.892 319 I HA 0.120 4.290 4.170 -0.000 0.000 0.287 319 I C -1.578 174.522 176.117 -0.028 0.000 1.205 319 I CA -1.239 60.049 61.300 -0.021 0.000 1.409 319 I CB -0.168 37.816 38.000 -0.028 0.000 1.367 319 I HN 0.496 nan 8.210 nan 0.000 0.597 320 P HA -0.222 nan 4.420 nan 0.000 0.216 320 P C 1.153 178.431 177.300 -0.037 0.000 1.167 320 P CA 1.879 64.961 63.100 -0.030 0.000 0.914 320 P CB 0.091 31.776 31.700 -0.026 0.000 0.793 321 E N -1.281 118.894 120.200 -0.041 0.000 2.171 321 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 321 E C 1.823 178.386 176.600 -0.063 0.000 0.997 321 E CA 0.829 57.199 56.400 -0.050 0.000 0.810 321 E CB -0.904 28.763 29.700 -0.055 0.000 0.738 321 E HN 0.126 nan 8.360 nan 0.000 0.467 322 L N 0.393 121.578 121.223 -0.064 0.000 2.209 322 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 322 L C 1.864 178.697 176.870 -0.062 0.000 1.094 322 L CA 1.568 56.362 54.840 -0.076 0.000 0.790 322 L CB -0.168 41.848 42.059 -0.071 0.000 0.932 322 L HN 0.052 nan 8.230 nan 0.000 0.447 323 Q N -1.113 118.658 119.800 -0.049 0.000 2.167 323 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 323 Q C 2.041 178.016 176.000 -0.042 0.000 0.970 323 Q CA 1.234 57.009 55.803 -0.046 0.000 0.855 323 Q CB -0.382 28.330 28.738 -0.045 0.000 0.911 323 Q HN 0.638 nan 8.270 nan 0.000 0.438 324 G N 0.513 109.288 108.800 -0.041 0.000 2.408 324 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 324 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 324 G C 1.424 176.303 174.900 -0.034 0.000 1.150 324 G CA 0.174 45.253 45.100 -0.035 0.000 0.776 324 G HN 0.082 nan 8.290 nan 0.000 0.542 325 R N -0.585 119.884 120.500 -0.050 0.000 2.313 325 R HA 0.204 4.544 4.340 -0.000 0.000 0.199 325 R C 0.071 176.347 176.300 -0.039 0.000 0.958 325 R CA -0.024 56.043 56.100 -0.056 0.000 1.047 325 R CB -0.110 30.128 30.300 -0.104 0.000 0.955 325 R HN 0.238 nan 8.270 nan 0.000 0.481 326 L N 2.074 123.278 121.223 -0.032 0.000 3.030 326 L HA 0.260 4.600 4.340 -0.000 0.000 0.252 326 L C -1.510 175.355 176.870 -0.008 0.000 1.316 326 L CA -1.920 52.911 54.840 -0.014 0.000 0.975 326 L CB 1.243 43.287 42.059 -0.026 0.000 1.357 326 L HN -0.119 nan 8.230 nan 0.000 0.534 327 P HA -0.161 nan 4.420 nan 0.000 0.216 327 P C 0.641 177.945 177.300 0.007 0.000 1.150 327 P CA 1.261 64.363 63.100 0.004 0.000 0.843 327 P CB 0.450 32.158 31.700 0.014 0.000 0.787 328 I N 1.255 121.838 120.570 0.021 0.000 2.342 328 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 328 I C 0.799 176.926 176.117 0.016 0.000 1.010 328 I CA -0.522 60.792 61.300 0.025 0.000 1.308 328 I CB 0.419 38.445 38.000 0.045 0.000 1.400 328 I HN -0.069 nan 8.210 nan 0.000 0.488 329 R N 5.380 125.882 120.500 0.004 0.000 2.439 329 R HA 0.657 4.997 4.340 -0.000 0.000 0.310 329 R C -0.913 175.393 176.300 0.010 0.000 0.955 329 R CA -0.811 55.284 56.100 -0.009 0.000 0.853 329 R CB 2.447 32.721 30.300 -0.043 0.000 1.171 329 R HN 0.423 nan 8.270 nan 0.000 0.449 330 V N 1.856 121.786 119.914 0.027 0.000 2.709 330 V HA 0.407 4.527 4.120 -0.000 0.000 0.308 330 V C -0.677 175.448 176.094 0.050 0.000 1.062 330 V CA -0.722 61.602 62.300 0.040 0.000 0.901 330 V CB 2.589 34.445 31.823 0.056 0.000 1.003 330 V HN 0.774 nan 8.190 nan 0.000 0.425 331 E N 3.608 123.836 120.200 0.046 0.000 2.242 331 E HA 0.701 5.051 4.350 -0.000 0.000 0.275 331 E C -1.590 175.050 176.600 0.066 0.000 1.002 331 E CA -0.578 55.856 56.400 0.057 0.000 0.841 331 E CB 1.795 31.520 29.700 0.042 0.000 1.109 331 E HN 0.598 nan 8.360 nan 0.000 0.394 332 L N 3.116 124.386 121.223 0.079 0.000 2.386 332 L HA 0.297 4.637 4.340 -0.000 0.000 0.271 332 L C -0.483 176.432 176.870 0.075 0.000 0.993 332 L CA -0.875 54.013 54.840 0.080 0.000 0.819 332 L CB 1.714 43.830 42.059 0.095 0.000 1.294 332 L HN 0.406 nan 8.230 nan 0.000 0.414 333 Q N 1.591 121.432 119.800 0.069 0.000 2.312 333 Q HA 0.619 4.959 4.340 -0.000 0.000 0.236 333 Q C -0.018 176.028 176.000 0.077 0.000 0.965 333 Q CA -0.508 55.335 55.803 0.067 0.000 0.894 333 Q CB 1.170 29.943 28.738 0.059 0.000 1.225 333 Q HN 0.704 nan 8.270 nan 0.000 0.478 334 A N 1.373 124.238 122.820 0.074 0.000 2.366 334 A HA 0.402 4.722 4.320 -0.000 0.000 0.249 334 A C -0.103 177.541 177.584 0.100 0.000 1.084 334 A CA -0.421 51.664 52.037 0.080 0.000 0.794 334 A CB 0.129 19.166 19.000 0.062 0.000 1.034 334 A HN 0.631 nan 8.150 nan 0.000 0.491 335 L N 1.020 122.320 121.223 0.129 0.000 2.395 335 L HA 0.402 4.742 4.340 -0.000 0.000 0.269 335 L C 1.093 178.010 176.870 0.078 0.000 1.133 335 L CA -0.333 54.598 54.840 0.152 0.000 0.812 335 L CB 1.331 43.597 42.059 0.345 0.000 1.125 335 L HN 0.944 nan 8.230 nan 0.000 0.452 336 T N -2.868 111.706 114.554 0.033 0.000 2.936 336 T HA 0.230 4.580 4.350 -0.000 0.000 0.282 336 T C 1.071 175.638 174.700 -0.223 0.000 1.003 336 T CA -0.475 61.590 62.100 -0.057 0.000 1.005 336 T CB 1.409 70.231 68.868 -0.076 0.000 1.097 336 T HN 0.627 nan 8.240 nan 0.000 0.532 337 T N 0.682 115.004 114.554 -0.386 0.000 2.803 337 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 337 T C 2.155 176.806 174.700 -0.081 0.000 1.052 337 T CA 1.525 63.437 62.100 -0.314 0.000 1.136 337 T CB -0.595 67.994 68.868 -0.464 0.000 0.864 337 T HN 0.578 nan 8.240 nan 0.000 0.467 338 S N 1.149 116.796 115.700 -0.089 0.000 2.387 338 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 338 S C 1.861 176.494 174.600 0.054 0.000 1.026 338 S CA 0.792 58.981 58.200 -0.018 0.000 0.972 338 S CB -0.370 62.806 63.200 -0.040 0.000 0.814 338 S HN 0.461 nan 8.310 nan 0.000 0.477 339 D N 0.871 121.318 120.400 0.078 0.000 2.097 339 D HA -0.059 4.581 4.640 -0.000 0.000 0.195 339 D C 1.583 178.053 176.300 0.284 0.000 0.989 339 D CA 0.928 55.022 54.000 0.156 0.000 0.827 339 D CB -0.305 40.599 40.800 0.174 0.000 0.966 339 D HN 0.258 nan 8.370 nan 0.000 0.456 340 F N 1.661 121.634 119.950 0.038 0.000 2.095 340 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 340 F C 2.393 178.196 175.800 0.004 0.000 1.104 340 F CA 0.851 58.871 58.000 0.033 0.000 1.232 340 F CB -0.839 38.203 39.000 0.069 0.000 0.987 340 F HN 0.043 nan 8.300 nan 0.000 0.475 341 E N -0.311 120.009 120.200 0.201 0.000 2.058 341 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 341 E C 2.313 178.938 176.600 0.041 0.000 0.997 341 E CA 1.348 57.799 56.400 0.085 0.000 0.801 341 E CB -0.244 29.486 29.700 0.051 0.000 0.746 341 E HN 0.375 nan 8.360 nan 0.000 0.450 342 R N 0.461 120.992 120.500 0.052 0.000 2.081 342 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 342 R C 2.448 178.757 176.300 0.014 0.000 1.131 342 R CA 1.123 57.239 56.100 0.027 0.000 0.960 342 R CB -0.349 29.971 30.300 0.034 0.000 0.856 342 R HN 0.225 nan 8.270 nan 0.000 0.436 343 I N 0.732 121.320 120.570 0.031 0.000 2.286 343 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 343 I C 1.986 178.083 176.117 -0.033 0.000 1.115 343 I CA 0.762 62.063 61.300 0.002 0.000 1.392 343 I CB -0.205 37.789 38.000 -0.011 0.000 1.065 343 I HN 0.151 nan 8.210 nan 0.000 0.418 344 L N 0.570 121.760 121.223 -0.054 0.000 2.127 344 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 344 L C 2.501 179.301 176.870 -0.118 0.000 1.089 344 L CA 2.650 57.428 54.840 -0.104 0.000 0.757 344 L CB -1.572 40.409 42.059 -0.130 0.000 0.899 344 L HN 0.485 nan 8.230 nan 0.000 0.434 345 T N -6.988 107.518 114.554 -0.081 0.000 2.980 345 T HA 0.096 4.446 4.350 -0.000 0.000 0.252 345 T C 1.492 176.165 174.700 -0.046 0.000 0.962 345 T CA -0.177 61.879 62.100 -0.074 0.000 0.932 345 T CB 0.268 69.094 68.868 -0.069 0.000 1.188 345 T HN 0.166 nan 8.240 nan 0.000 0.500 346 E N 1.936 122.114 120.200 -0.036 0.000 2.028 346 E HA 0.084 4.434 4.350 -0.000 0.000 0.190 346 E C -1.559 175.009 176.600 -0.054 0.000 0.984 346 E CA 0.335 56.712 56.400 -0.037 0.000 0.800 346 E CB -1.175 28.509 29.700 -0.028 0.000 0.758 346 E HN 0.437 nan 8.360 nan 0.000 0.448 347 P HA -0.075 nan 4.420 nan 0.000 0.266 347 P C -0.776 176.473 177.300 -0.085 0.000 1.193 347 P CA 0.515 63.569 63.100 -0.077 0.000 0.770 347 P CB 0.255 31.940 31.700 -0.024 0.000 0.836 348 N N 1.550 120.156 118.700 -0.157 0.000 2.483 348 N HA 0.267 5.007 4.740 -0.000 0.000 0.264 348 N C 0.065 175.567 175.510 -0.013 0.000 1.197 348 N CA 0.134 53.123 53.050 -0.101 0.000 0.927 348 N CB 0.064 38.456 38.487 -0.159 0.000 1.065 348 N HN 0.533 nan 8.380 nan 0.000 0.461 349 A N 1.282 124.100 122.820 -0.004 0.000 2.578 349 A HA -0.180 4.140 4.320 -0.000 0.000 0.298 349 A C 0.521 178.110 177.584 0.009 0.000 1.472 349 A CA 0.545 52.588 52.037 0.010 0.000 0.734 349 A CB -2.136 16.879 19.000 0.025 0.000 1.091 349 A HN 0.687 nan 8.150 nan 0.000 0.426 350 S N 1.154 116.851 115.700 -0.004 0.000 2.601 350 S HA 0.615 5.085 4.470 -0.000 0.000 0.271 350 S C 1.766 176.362 174.600 -0.005 0.000 1.305 350 S CA -0.445 57.749 58.200 -0.009 0.000 1.022 350 S CB 0.916 64.098 63.200 -0.031 0.000 0.940 350 S HN 1.528 nan 8.310 nan 0.000 0.525 351 I N -0.413 120.159 120.570 0.002 0.000 2.181 351 I HA -0.211 3.959 4.170 -0.000 0.000 0.247 351 I C 1.893 178.046 176.117 0.060 0.000 1.081 351 I CA 2.107 63.430 61.300 0.037 0.000 1.340 351 I CB -2.745 35.303 38.000 0.080 0.000 1.036 351 I HN 0.667 nan 8.210 nan 0.000 0.417 352 T N 1.476 115.991 114.554 -0.065 0.000 2.708 352 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 352 T C 2.220 176.937 174.700 0.028 0.000 1.037 352 T CA 1.770 63.759 62.100 -0.184 0.000 1.146 352 T CB -0.251 68.336 68.868 -0.468 0.000 0.865 352 T HN 0.256 nan 8.240 nan 0.000 0.435 353 V N 1.532 121.456 119.914 0.016 0.000 2.343 353 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 353 V C 2.587 178.724 176.094 0.072 0.000 1.051 353 V CA 1.743 64.074 62.300 0.052 0.000 1.036 353 V CB -0.563 31.270 31.823 0.017 0.000 0.654 353 V HN 0.577 nan 8.190 nan 0.000 0.451 354 Q N -1.488 118.345 119.800 0.055 0.000 2.084 354 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 354 Q C 2.196 178.213 176.000 0.028 0.000 0.978 354 Q CA 2.123 57.939 55.803 0.022 0.000 0.844 354 Q CB -0.359 28.373 28.738 -0.010 0.000 0.898 354 Q HN 0.677 nan 8.270 nan 0.000 0.426 355 Y N 1.664 121.993 120.300 0.048 0.000 2.128 355 Y HA -0.276 4.274 4.550 -0.000 0.000 0.284 355 Y C 2.486 178.443 175.900 0.095 0.000 1.154 355 Y CA 1.712 59.866 58.100 0.089 0.000 1.149 355 Y CB -0.012 38.546 38.460 0.164 0.000 0.976 355 Y HN -0.024 nan 8.280 nan 0.000 0.505 356 K N -0.329 120.249 120.400 0.295 0.000 2.032 356 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 356 K C 2.250 178.901 176.600 0.085 0.000 1.048 356 K CA 1.263 57.664 56.287 0.190 0.000 0.927 356 K CB -0.383 32.223 32.500 0.177 0.000 0.712 356 K HN 0.339 nan 8.250 nan 0.000 0.441 357 A N 1.327 124.179 122.820 0.053 0.000 1.851 357 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 357 A C 2.160 179.733 177.584 -0.018 0.000 1.195 357 A CA 1.582 53.625 52.037 0.010 0.000 0.622 357 A CB -0.839 18.159 19.000 -0.003 0.000 0.831 357 A HN 0.321 nan 8.150 nan 0.000 0.444 358 L N -1.035 120.154 121.223 -0.058 0.000 2.079 358 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 358 L C 2.765 179.597 176.870 -0.063 0.000 1.081 358 L CA 1.276 56.057 54.840 -0.099 0.000 0.752 358 L CB -0.379 41.550 42.059 -0.218 0.000 0.896 358 L HN 0.366 nan 8.230 nan 0.000 0.433 359 M N -1.144 118.442 119.600 -0.022 0.000 2.254 359 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 359 M C 2.518 178.817 176.300 -0.002 0.000 1.066 359 M CA 1.529 56.835 55.300 0.009 0.000 1.123 359 M CB -1.270 31.365 32.600 0.058 0.000 1.388 359 M HN 0.277 nan 8.290 nan 0.000 0.425 360 A N -0.203 122.617 122.820 -0.001 0.000 2.019 360 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 360 A C 2.310 179.886 177.584 -0.013 0.000 1.164 360 A CA 1.997 54.031 52.037 -0.005 0.000 0.644 360 A CB -1.034 17.966 19.000 -0.001 0.000 0.805 360 A HN 0.444 nan 8.150 nan 0.000 0.449 361 T N -0.519 114.023 114.554 -0.020 0.000 2.759 361 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 361 T C 1.663 176.348 174.700 -0.024 0.000 1.042 361 T CA 1.825 63.910 62.100 -0.025 0.000 1.140 361 T CB -0.157 68.690 68.868 -0.035 0.000 0.864 361 T HN 0.534 nan 8.240 nan 0.000 0.455 362 E N 0.030 120.216 120.200 -0.023 0.000 2.476 362 E HA 0.250 4.600 4.350 -0.000 0.000 0.191 362 E C 1.252 177.841 176.600 -0.018 0.000 1.064 362 E CA 0.292 56.679 56.400 -0.023 0.000 0.866 362 E CB -0.535 29.152 29.700 -0.022 0.000 0.952 362 E HN 0.464 nan 8.360 nan 0.000 0.492 363 G N -0.184 108.606 108.800 -0.016 0.000 2.160 363 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.251 363 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.251 363 G C -0.009 174.883 174.900 -0.013 0.000 1.008 363 G CA 0.443 45.534 45.100 -0.014 0.000 0.724 363 G HN 0.181 nan 8.290 nan 0.000 0.514 364 V N 0.116 120.022 119.914 -0.012 0.000 2.459 364 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 364 V C 0.234 176.318 176.094 -0.018 0.000 1.029 364 V CA -0.950 61.341 62.300 -0.015 0.000 0.874 364 V CB 1.890 33.706 31.823 -0.012 0.000 0.985 364 V HN 0.341 nan 8.190 nan 0.000 0.438 365 N N 3.537 122.220 118.700 -0.028 0.000 2.500 365 N HA 0.395 5.135 4.740 -0.000 0.000 0.236 365 N C -0.873 174.599 175.510 -0.064 0.000 1.022 365 N CA -0.248 52.783 53.050 -0.033 0.000 0.935 365 N CB 0.616 39.086 38.487 -0.029 0.000 1.147 365 N HN 0.614 nan 8.380 nan 0.000 0.512 366 I N 2.157 122.687 120.570 -0.068 0.000 2.440 366 I HA 0.414 4.584 4.170 -0.000 0.000 0.294 366 I C -0.325 175.690 176.117 -0.170 0.000 0.995 366 I CA -0.312 60.894 61.300 -0.157 0.000 1.306 366 I CB 1.320 39.243 38.000 -0.129 0.000 1.407 366 I HN 0.485 nan 8.210 nan 0.000 0.501 367 E N 4.811 124.827 120.200 -0.307 0.000 2.304 367 E HA 0.468 4.818 4.350 -0.000 0.000 0.277 367 E C -1.799 174.591 176.600 -0.350 0.000 0.898 367 E CA -0.372 55.907 56.400 -0.203 0.000 0.764 367 E CB 1.117 30.756 29.700 -0.103 0.000 1.216 367 E HN 0.270 nan 8.360 nan 0.000 0.419 368 F N 1.836 121.753 119.950 -0.055 0.000 2.420 368 F HA 0.389 4.916 4.527 -0.000 0.000 0.342 368 F C 0.875 176.653 175.800 -0.036 0.000 1.113 368 F CA -0.617 57.349 58.000 -0.057 0.000 1.059 368 F CB 1.768 40.739 39.000 -0.049 0.000 1.128 368 F HN 0.304 nan 8.300 nan 0.000 0.475 369 T N -1.428 113.197 114.554 0.119 0.000 2.899 369 T HA 0.177 4.527 4.350 -0.000 0.000 0.284 369 T C 0.857 175.611 174.700 0.090 0.000 1.004 369 T CA -0.832 61.313 62.100 0.075 0.000 1.043 369 T CB 1.129 70.020 68.868 0.037 0.000 1.013 369 T HN 0.496 nan 8.240 nan 0.000 0.518 370 D N 1.538 121.973 120.400 0.059 0.000 2.116 370 D HA -0.105 4.535 4.640 -0.000 0.000 0.193 370 D C 2.181 178.510 176.300 0.048 0.000 0.998 370 D CA 1.446 55.474 54.000 0.047 0.000 0.836 370 D CB -0.504 40.313 40.800 0.029 0.000 0.951 370 D HN 0.589 nan 8.370 nan 0.000 0.449 371 S N -0.118 115.610 115.700 0.046 0.000 2.447 371 S HA -0.020 4.450 4.470 -0.000 0.000 0.233 371 S C 1.983 176.622 174.600 0.065 0.000 1.006 371 S CA 0.830 59.057 58.200 0.045 0.000 0.957 371 S CB -0.205 63.017 63.200 0.037 0.000 0.773 371 S HN 0.414 nan 8.310 nan 0.000 0.507 372 G N 2.092 110.944 108.800 0.087 0.000 2.404 372 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 372 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 372 G C 1.298 176.276 174.900 0.130 0.000 1.174 372 G CA 0.527 45.701 45.100 0.124 0.000 0.780 372 G HN 0.421 nan 8.290 nan 0.000 0.537 373 I N 0.867 121.501 120.570 0.106 0.000 2.142 373 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 373 I C 2.593 178.738 176.117 0.047 0.000 1.078 373 I CA 1.445 62.770 61.300 0.040 0.000 1.343 373 I CB -0.873 37.124 38.000 -0.005 0.000 1.046 373 I HN 0.218 nan 8.210 nan 0.000 0.405 374 K N 0.906 121.334 120.400 0.047 0.000 2.127 374 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 374 K C 2.289 178.923 176.600 0.056 0.000 1.047 374 K CA 1.813 58.125 56.287 0.041 0.000 0.927 374 K CB -0.021 32.494 32.500 0.026 0.000 0.716 374 K HN 0.072 nan 8.250 nan 0.000 0.450 375 R N 0.153 120.694 120.500 0.067 0.000 2.127 375 R HA 0.133 4.473 4.340 -0.000 0.000 0.217 375 R C 2.132 178.490 176.300 0.098 0.000 1.074 375 R CA 0.773 56.920 56.100 0.079 0.000 0.991 375 R CB -0.004 30.344 30.300 0.080 0.000 0.895 375 R HN 0.209 nan 8.270 nan 0.000 0.450 376 I N 0.051 120.677 120.570 0.093 0.000 2.179 376 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 376 I C 2.305 178.494 176.117 0.119 0.000 1.088 376 I CA 1.403 62.755 61.300 0.087 0.000 1.357 376 I CB -0.393 37.632 38.000 0.042 0.000 1.051 376 I HN 0.243 nan 8.210 nan 0.000 0.409 377 A N 0.319 123.223 122.820 0.140 0.000 1.877 377 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 377 A C 2.216 179.985 177.584 0.308 0.000 1.186 377 A CA 1.735 53.936 52.037 0.273 0.000 0.620 377 A CB -0.625 18.520 19.000 0.242 0.000 0.822 377 A HN 0.402 nan 8.150 nan 0.000 0.443 378 E N -0.383 119.924 120.200 0.179 0.000 2.058 378 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 378 E C 2.318 179.050 176.600 0.221 0.000 0.997 378 E CA 1.207 57.701 56.400 0.156 0.000 0.801 378 E CB -0.287 29.462 29.700 0.082 0.000 0.746 378 E HN 0.608 nan 8.360 nan 0.000 0.450 379 A N 1.125 124.053 122.820 0.180 0.000 1.883 379 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 379 A C 2.384 180.084 177.584 0.193 0.000 1.186 379 A CA 1.975 54.109 52.037 0.161 0.000 0.624 379 A CB -0.887 18.187 19.000 0.123 0.000 0.822 379 A HN 0.350 nan 8.150 nan 0.000 0.444 380 A N -1.203 121.761 122.820 0.240 0.000 1.908 380 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 380 A C 2.113 179.912 177.584 0.359 0.000 1.181 380 A CA 1.598 53.804 52.037 0.282 0.000 0.627 380 A CB -0.938 18.243 19.000 0.302 0.000 0.818 380 A HN 0.907 nan 8.150 nan 0.000 0.445 381 W N 0.411 121.836 121.300 0.207 0.000 2.358 381 W HA -0.164 4.496 4.660 0.000 0.000 0.303 381 W C 1.991 178.521 176.519 0.018 0.000 1.208 381 W CA 2.087 59.438 57.345 0.011 0.000 1.274 381 W CB -0.464 28.916 29.460 -0.134 0.000 1.138 381 W HN 0.377 nan 8.180 nan 0.000 0.515 382 Q N 0.798 120.761 119.800 0.271 0.000 2.014 382 Q HA -0.188 4.152 4.340 -0.000 0.000 0.207 382 Q C 2.314 178.320 176.000 0.009 0.000 0.993 382 Q CA 2.496 58.396 55.803 0.161 0.000 0.850 382 Q CB -1.094 27.744 28.738 0.166 0.000 0.916 382 Q HN 0.246 nan 8.270 nan 0.000 0.417 383 V N 1.198 121.129 119.914 0.029 0.000 2.332 383 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 383 V C 1.978 178.035 176.094 -0.062 0.000 1.055 383 V CA 2.035 64.335 62.300 -0.001 0.000 1.038 383 V CB -0.773 31.067 31.823 0.028 0.000 0.651 383 V HN 0.433 nan 8.190 nan 0.000 0.450 384 N N -0.576 118.060 118.700 -0.107 0.000 2.223 384 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 384 N C 1.996 177.348 175.510 -0.263 0.000 1.016 384 N CA 0.909 53.856 53.050 -0.172 0.000 0.863 384 N CB -0.020 38.353 38.487 -0.191 0.000 0.983 384 N HN 0.405 nan 8.380 nan 0.000 0.429 385 E N 0.539 120.521 120.200 -0.363 0.000 2.122 385 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 385 E C 1.928 178.440 176.600 -0.145 0.000 0.977 385 E CA 0.732 56.935 56.400 -0.328 0.000 0.820 385 E CB 0.016 29.473 29.700 -0.405 0.000 0.770 385 E HN 0.330 nan 8.360 nan 0.000 0.462 386 S N -0.624 115.021 115.700 -0.092 0.000 2.489 386 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 386 S C 1.595 176.174 174.600 -0.036 0.000 0.995 386 S CA 1.253 59.430 58.200 -0.038 0.000 0.934 386 S CB -0.097 63.099 63.200 -0.006 0.000 0.771 386 S HN 0.307 nan 8.310 nan 0.000 0.522 387 T N -1.092 113.431 114.554 -0.052 0.000 1.832 387 T HA 0.511 4.861 4.350 -0.000 0.000 0.171 387 T C -1.006 173.660 174.700 -0.057 0.000 0.718 387 T CA -0.481 61.595 62.100 -0.041 0.000 0.980 387 T CB 0.049 68.900 68.868 -0.027 0.000 3.173 387 T HN 0.077 nan 8.240 nan 0.000 0.399 388 E N 1.617 121.784 120.200 -0.056 0.000 2.179 388 E HA 0.513 4.863 4.350 -0.000 0.000 0.275 388 E C -1.069 175.489 176.600 -0.071 0.000 0.945 388 E CA -0.397 55.967 56.400 -0.060 0.000 0.792 388 E CB 1.363 31.034 29.700 -0.049 0.000 1.125 388 E HN 0.566 nan 8.360 nan 0.000 0.397 389 N N 2.650 121.302 118.700 -0.081 0.000 2.422 389 N HA 0.204 4.944 4.740 -0.000 0.000 0.264 389 N C 0.135 175.620 175.510 -0.043 0.000 1.063 389 N CA -0.080 52.918 53.050 -0.087 0.000 0.959 389 N CB 0.349 38.766 38.487 -0.118 0.000 1.087 389 N HN 0.560 nan 8.380 nan 0.000 0.483 390 I N 1.188 121.745 120.570 -0.022 0.000 3.833 390 I HA 0.509 4.679 4.170 -0.000 0.000 0.328 390 I C 0.809 176.933 176.117 0.012 0.000 1.554 390 I CA -0.550 60.745 61.300 -0.008 0.000 1.116 390 I CB -0.097 37.892 38.000 -0.019 0.000 1.182 390 I HN 0.657 nan 8.210 nan 0.000 0.459 391 G N 2.147 110.982 108.800 0.059 0.000 2.575 391 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.267 391 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.267 391 G C 0.862 175.808 174.900 0.077 0.000 1.264 391 G CA 0.631 45.814 45.100 0.138 0.000 0.935 391 G HN 0.805 nan 8.290 nan 0.000 0.568 392 A N -0.500 122.291 122.820 -0.047 0.000 2.076 392 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 392 A C 2.416 179.671 177.584 -0.549 0.000 1.160 392 A CA 2.226 54.006 52.037 -0.429 0.000 0.653 392 A CB -0.442 18.390 19.000 -0.280 0.000 0.801 392 A HN 0.755 nan 8.150 nan 0.000 0.455 393 R N -0.927 119.376 120.500 -0.328 0.000 2.112 393 R HA -0.253 4.087 4.340 -0.000 0.000 0.242 393 R C 2.319 178.372 176.300 -0.412 0.000 1.137 393 R CA 1.860 57.755 56.100 -0.341 0.000 0.944 393 R CB -0.416 29.831 30.300 -0.087 0.000 0.857 393 R HN 0.449 nan 8.270 nan 0.000 0.435 394 R N 1.310 121.663 120.500 -0.244 0.000 2.174 394 R HA -0.166 4.174 4.340 -0.000 0.000 0.253 394 R C 1.930 178.104 176.300 -0.210 0.000 1.165 394 R CA 1.495 57.503 56.100 -0.153 0.000 0.984 394 R CB -0.614 29.662 30.300 -0.040 0.000 0.873 394 R HN 0.294 nan 8.270 nan 0.000 0.456 395 L N -0.937 120.027 121.223 -0.431 0.000 2.141 395 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 395 L C 2.179 178.947 176.870 -0.170 0.000 1.094 395 L CA 1.172 55.800 54.840 -0.352 0.000 0.763 395 L CB -0.571 41.183 42.059 -0.508 0.000 0.908 395 L HN 0.337 nan 8.230 nan 0.000 0.437 396 H N -0.767 118.256 119.070 -0.078 0.000 2.357 396 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 396 H C 2.489 177.824 175.328 0.012 0.000 1.082 396 H CA 1.935 57.970 56.048 -0.021 0.000 1.342 396 H CB -0.908 28.846 29.762 -0.014 0.000 1.389 396 H HN 0.424 nan 8.280 nan 0.000 0.511 397 T N -1.021 113.589 114.554 0.093 0.000 2.812 397 T HA -0.049 4.301 4.350 -0.000 0.000 0.264 397 T C 2.301 177.039 174.700 0.064 0.000 1.042 397 T CA 1.182 63.328 62.100 0.077 0.000 1.140 397 T CB -0.886 68.011 68.868 0.050 0.000 0.870 397 T HN 0.074 nan 8.240 nan 0.000 0.445 398 V N 1.808 121.744 119.914 0.037 0.000 2.261 398 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 398 V C 2.620 178.741 176.094 0.046 0.000 1.047 398 V CA 1.684 64.011 62.300 0.045 0.000 1.015 398 V CB -0.941 30.905 31.823 0.039 0.000 0.642 398 V HN 0.399 nan 8.190 nan 0.000 0.446 399 L N 0.431 121.669 121.223 0.025 0.000 2.043 399 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 399 L C 2.356 179.223 176.870 -0.006 0.000 1.075 399 L CA 2.309 57.144 54.840 -0.009 0.000 0.752 399 L CB -0.814 41.234 42.059 -0.018 0.000 0.891 399 L HN 0.367 nan 8.230 nan 0.000 0.432 400 E N -0.548 119.706 120.200 0.089 0.000 2.150 400 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 400 E C 2.317 178.995 176.600 0.129 0.000 0.985 400 E CA 1.057 57.551 56.400 0.157 0.000 0.814 400 E CB -0.158 29.652 29.700 0.183 0.000 0.752 400 E HN 0.403 nan 8.360 nan 0.000 0.466 401 R N -0.026 120.536 120.500 0.103 0.000 2.090 401 R HA -0.034 4.306 4.340 -0.000 0.000 0.228 401 R C 2.135 178.511 176.300 0.126 0.000 1.110 401 R CA 1.095 57.260 56.100 0.107 0.000 0.973 401 R CB -0.864 29.491 30.300 0.092 0.000 0.869 401 R HN 0.323 nan 8.270 nan 0.000 0.440 402 L N -0.183 121.103 121.223 0.105 0.000 2.079 402 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 402 L C 1.495 178.438 176.870 0.121 0.000 1.081 402 L CA 1.797 56.711 54.840 0.124 0.000 0.752 402 L CB -0.193 41.915 42.059 0.081 0.000 0.896 402 L HN 0.250 nan 8.230 nan 0.000 0.433 403 M N -1.544 118.084 119.600 0.046 0.000 2.502 403 M HA 0.038 4.518 4.480 -0.000 0.000 0.243 403 M C 1.854 178.272 176.300 0.197 0.000 1.130 403 M CA 0.386 55.716 55.300 0.051 0.000 1.055 403 M CB -0.490 31.983 32.600 -0.212 0.000 1.457 403 M HN 0.277 nan 8.290 nan 0.000 0.488 404 E N 1.711 122.029 120.200 0.198 0.000 2.208 404 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 404 E C 1.661 178.385 176.600 0.207 0.000 1.014 404 E CA 1.828 58.344 56.400 0.193 0.000 0.819 404 E CB 0.189 29.973 29.700 0.140 0.000 0.735 404 E HN 0.561 nan 8.360 nan 0.000 0.469 405 E N -0.391 119.948 120.200 0.231 0.000 2.051 405 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 405 E C 2.276 179.029 176.600 0.255 0.000 0.979 405 E CA 1.068 57.613 56.400 0.240 0.000 0.803 405 E CB -0.089 29.777 29.700 0.277 0.000 0.761 405 E HN 0.389 nan 8.360 nan 0.000 0.451 406 I N 1.024 121.736 120.570 0.235 0.000 2.286 406 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 406 I C 2.680 178.905 176.117 0.179 0.000 1.115 406 I CA 0.661 62.066 61.300 0.174 0.000 1.392 406 I CB -0.252 37.807 38.000 0.097 0.000 1.065 406 I HN 0.049 nan 8.210 nan 0.000 0.418 407 S N -0.068 115.769 115.700 0.229 0.000 2.400 407 S HA -0.256 4.214 4.470 -0.000 0.000 0.232 407 S C 2.047 176.755 174.600 0.180 0.000 1.025 407 S CA 1.487 59.812 58.200 0.208 0.000 0.993 407 S CB -0.287 63.063 63.200 0.250 0.000 0.808 407 S HN 0.502 nan 8.310 nan 0.000 0.478 408 Y N 1.592 121.943 120.300 0.086 0.000 2.201 408 Y HA 0.082 4.632 4.550 0.000 0.000 0.292 408 Y C 1.761 177.691 175.900 0.051 0.000 1.119 408 Y CA 1.613 59.751 58.100 0.062 0.000 1.127 408 Y CB -0.271 38.227 38.460 0.063 0.000 1.019 408 Y HN 0.212 nan 8.280 nan 0.000 0.514 409 D N 0.282 120.775 120.400 0.155 0.000 2.363 409 D HA 0.006 4.646 4.640 -0.000 0.000 0.220 409 D C 2.103 178.409 176.300 0.009 0.000 0.994 409 D CA 0.820 54.856 54.000 0.060 0.000 0.890 409 D CB -0.293 40.593 40.800 0.143 0.000 0.906 409 D HN 0.471 nan 8.370 nan 0.000 0.530 410 A N 0.709 123.538 122.820 0.015 0.000 1.915 410 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 410 A C 2.367 179.937 177.584 -0.023 0.000 1.198 410 A CA 2.163 54.202 52.037 0.005 0.000 0.647 410 A CB -0.660 18.346 19.000 0.010 0.000 0.825 410 A HN 0.250 nan 8.150 nan 0.000 0.456 411 S N 0.100 115.766 115.700 -0.056 0.000 2.423 411 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 411 S C 0.662 175.236 174.600 -0.044 0.000 1.014 411 S CA 1.178 59.344 58.200 -0.057 0.000 0.965 411 S CB -0.227 62.922 63.200 -0.085 0.000 0.785 411 S HN 0.667 nan 8.310 nan 0.000 0.495 412 D N 0.377 120.753 120.400 -0.040 0.000 2.491 412 D HA 0.260 4.900 4.640 -0.000 0.000 0.228 412 D C 0.066 176.363 176.300 -0.004 0.000 1.183 412 D CA 0.096 54.084 54.000 -0.021 0.000 0.827 412 D CB 0.622 41.412 40.800 -0.017 0.000 0.989 412 D HN 0.217 nan 8.370 nan 0.000 0.494 413 L N -0.212 121.009 121.223 -0.005 0.000 3.217 413 L HA 0.101 4.441 4.340 -0.000 0.000 0.288 413 L C 0.655 177.522 176.870 -0.005 0.000 1.202 413 L CA 0.002 54.843 54.840 0.002 0.000 1.027 413 L CB 0.497 42.562 42.059 0.010 0.000 1.427 413 L HN -0.205 nan 8.230 nan 0.000 0.600 414 S N 0.302 115.996 115.700 -0.010 0.000 2.593 414 S HA 0.224 4.694 4.470 -0.000 0.000 0.303 414 S C 1.494 176.088 174.600 -0.010 0.000 1.267 414 S CA 1.273 59.465 58.200 -0.012 0.000 1.047 414 S CB -0.013 63.178 63.200 -0.014 0.000 0.777 414 S HN 0.900 nan 8.310 nan 0.000 0.498 415 G N 3.127 111.920 108.800 -0.011 0.000 2.160 415 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.251 415 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.251 415 G C -0.153 174.740 174.900 -0.011 0.000 1.008 415 G CA 0.574 45.668 45.100 -0.011 0.000 0.724 415 G HN 0.798 nan 8.290 nan 0.000 0.514 416 Q N -0.479 119.312 119.800 -0.014 0.000 2.348 416 Q HA 0.456 4.796 4.340 -0.000 0.000 0.271 416 Q C -0.612 175.372 176.000 -0.027 0.000 1.067 416 Q CA -0.941 54.852 55.803 -0.017 0.000 0.839 416 Q CB 1.236 29.966 28.738 -0.013 0.000 1.354 416 Q HN 0.210 nan 8.270 nan 0.000 0.447 417 N N 2.110 120.790 118.700 -0.032 0.000 2.609 417 N HA 0.283 5.022 4.740 -0.000 0.000 0.234 417 N C -0.969 174.501 175.510 -0.067 0.000 1.001 417 N CA -0.147 52.875 53.050 -0.047 0.000 0.926 417 N CB 0.890 39.354 38.487 -0.038 0.000 1.130 417 N HN 0.401 nan 8.380 nan 0.000 0.510 418 I N 1.355 121.866 120.570 -0.098 0.000 2.331 418 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 418 I C 1.075 177.058 176.117 -0.224 0.000 0.998 418 I CA -0.260 60.953 61.300 -0.145 0.000 1.267 418 I CB 1.142 39.044 38.000 -0.163 0.000 1.386 418 I HN 0.180 nan 8.210 nan 0.000 0.476 419 T N 7.476 121.896 114.554 -0.223 0.000 2.771 419 T HA 0.637 4.987 4.350 -0.000 0.000 0.281 419 T C -0.342 174.135 174.700 -0.371 0.000 0.982 419 T CA -0.463 61.483 62.100 -0.256 0.000 0.978 419 T CB 0.353 69.139 68.868 -0.136 0.000 0.930 419 T HN 0.333 nan 8.240 nan 0.000 0.447 420 I N 6.068 126.333 120.570 -0.508 0.000 2.330 420 I HA 0.347 4.517 4.170 -0.000 0.000 0.286 420 I C -0.271 175.715 176.117 -0.219 0.000 1.025 420 I CA -0.761 60.202 61.300 -0.561 0.000 1.197 420 I CB 0.852 38.335 38.000 -0.861 0.000 1.358 420 I HN 0.697 nan 8.210 nan 0.000 0.467 421 D N 4.757 125.119 120.400 -0.064 0.000 2.525 421 D HA 0.495 5.135 4.640 -0.000 0.000 0.249 421 D C 1.031 177.381 176.300 0.084 0.000 1.072 421 D CA -0.716 53.298 54.000 0.025 0.000 1.067 421 D CB 1.052 41.863 40.800 0.020 0.000 1.282 421 D HN 0.307 nan 8.370 nan 0.000 0.587 422 A N 0.193 123.058 122.820 0.076 0.000 1.940 422 A HA -0.312 4.008 4.320 -0.000 0.000 0.221 422 A C 1.545 179.185 177.584 0.094 0.000 1.190 422 A CA 2.518 54.604 52.037 0.081 0.000 0.647 422 A CB -1.208 17.827 19.000 0.059 0.000 0.821 422 A HN 0.663 nan 8.150 nan 0.000 0.457 423 D N -2.082 118.373 120.400 0.092 0.000 2.087 423 D HA -0.181 4.459 4.640 -0.000 0.000 0.192 423 D C 1.750 178.129 176.300 0.131 0.000 0.993 423 D CA 1.802 55.858 54.000 0.094 0.000 0.828 423 D CB -0.433 40.418 40.800 0.086 0.000 0.968 423 D HN 0.567 nan 8.370 nan 0.000 0.448 424 Y N 1.152 121.468 120.300 0.026 0.000 2.081 424 Y HA -0.282 4.268 4.550 0.000 0.000 0.280 424 Y C 2.281 178.201 175.900 0.033 0.000 1.163 424 Y CA 1.296 59.407 58.100 0.019 0.000 1.135 424 Y CB -0.604 37.794 38.460 -0.103 0.000 0.970 424 Y HN -0.158 nan 8.280 nan 0.000 0.498 425 V N -0.620 119.452 119.914 0.262 0.000 2.250 425 V HA -0.410 3.710 4.120 -0.000 0.000 0.250 425 V C 2.452 178.630 176.094 0.139 0.000 1.060 425 V CA 2.337 64.750 62.300 0.189 0.000 1.030 425 V CB -1.158 30.755 31.823 0.151 0.000 0.643 425 V HN 0.440 nan 8.190 nan 0.000 0.445 426 S N -1.049 114.717 115.700 0.110 0.000 2.370 426 S HA -0.265 4.205 4.470 -0.000 0.000 0.226 426 S C 2.026 176.662 174.600 0.060 0.000 1.033 426 S CA 1.878 60.124 58.200 0.078 0.000 1.011 426 S CB -0.346 62.890 63.200 0.059 0.000 0.852 426 S HN 0.588 nan 8.310 nan 0.000 0.457 427 K N 0.215 120.648 120.400 0.056 0.000 2.148 427 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 427 K C 1.745 178.307 176.600 -0.063 0.000 1.050 427 K CA 1.171 57.451 56.287 -0.011 0.000 0.942 427 K CB -0.082 32.391 32.500 -0.045 0.000 0.724 427 K HN 0.553 nan 8.250 nan 0.000 0.446 428 H N -0.964 118.022 119.070 -0.139 0.000 2.520 428 H HA 0.064 4.620 4.556 -0.000 0.000 0.279 428 H C 1.760 177.073 175.328 -0.024 0.000 0.990 428 H CA 0.734 56.719 56.048 -0.105 0.000 1.288 428 H CB 0.565 30.252 29.762 -0.125 0.000 1.446 428 H HN 0.149 nan 8.280 nan 0.000 0.538 429 L N -0.227 121.069 121.223 0.121 0.000 2.500 429 L HA 0.022 4.362 4.340 -0.000 0.000 0.219 429 L C 1.744 178.650 176.870 0.060 0.000 1.057 429 L CA -0.021 54.873 54.840 0.090 0.000 0.854 429 L CB 0.049 42.169 42.059 0.101 0.000 1.078 429 L HN -0.040 nan 8.230 nan 0.000 0.480 430 D N 1.658 122.089 120.400 0.052 0.000 2.269 430 D HA -0.297 4.343 4.640 -0.000 0.000 0.191 430 D C 2.180 178.497 176.300 0.028 0.000 1.007 430 D CA 2.139 56.163 54.000 0.039 0.000 0.855 430 D CB -0.251 40.566 40.800 0.028 0.000 0.979 430 D HN 0.299 nan 8.370 nan 0.000 0.452 431 A N 0.021 122.849 122.820 0.012 0.000 1.892 431 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 431 A C 2.260 179.853 177.584 0.015 0.000 1.188 431 A CA 1.693 53.733 52.037 0.005 0.000 0.631 431 A CB -0.821 18.171 19.000 -0.014 0.000 0.822 431 A HN 0.186 nan 8.150 nan 0.000 0.447 432 L N -0.676 120.560 121.223 0.022 0.000 1.961 432 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 432 L C 2.595 179.490 176.870 0.042 0.000 1.072 432 L CA 1.732 56.592 54.840 0.033 0.000 0.749 432 L CB -1.176 40.908 42.059 0.042 0.000 0.889 432 L HN 0.188 nan 8.230 nan 0.000 0.432 433 V N 0.100 120.044 119.914 0.049 0.000 2.324 433 V HA -0.371 3.749 4.120 -0.000 0.000 0.250 433 V C 2.748 178.870 176.094 0.045 0.000 1.060 433 V CA 1.882 64.214 62.300 0.054 0.000 1.042 433 V CB -1.336 30.527 31.823 0.066 0.000 0.650 433 V HN 0.541 nan 8.190 nan 0.000 0.450 434 A N -0.407 122.436 122.820 0.039 0.000 1.908 434 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 434 A C 1.467 179.068 177.584 0.029 0.000 1.181 434 A CA 1.703 53.760 52.037 0.032 0.000 0.627 434 A CB -0.468 18.547 19.000 0.025 0.000 0.818 434 A HN 0.551 nan 8.150 nan 0.000 0.445 435 D N -0.340 120.077 120.400 0.027 0.000 2.393 435 D HA 0.237 4.877 4.640 -0.000 0.000 0.232 435 D C 0.920 177.243 176.300 0.038 0.000 1.192 435 D CA -0.056 53.960 54.000 0.026 0.000 0.882 435 D CB 0.535 41.347 40.800 0.019 0.000 1.038 435 D HN 0.443 nan 8.370 nan 0.000 0.499 436 E N 2.243 122.465 120.200 0.037 0.000 2.023 436 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 436 E C 1.098 177.736 176.600 0.064 0.000 1.003 436 E CA 1.365 57.791 56.400 0.042 0.000 0.809 436 E CB 0.111 29.830 29.700 0.031 0.000 0.755 436 E HN 0.621 nan 8.360 nan 0.000 0.449 437 D N 0.409 120.852 120.400 0.071 0.000 2.158 437 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 437 D C 1.986 178.399 176.300 0.188 0.000 0.995 437 D CA 0.892 54.965 54.000 0.121 0.000 0.846 437 D CB -0.096 40.760 40.800 0.094 0.000 0.941 437 D HN 0.092 nan 8.370 nan 0.000 0.456 438 L N -0.247 121.044 121.223 0.114 0.000 2.141 438 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 438 L C 2.268 179.231 176.870 0.155 0.000 1.094 438 L CA 0.940 55.848 54.840 0.113 0.000 0.763 438 L CB -0.187 41.898 42.059 0.045 0.000 0.908 438 L HN 0.095 nan 8.230 nan 0.000 0.437 439 S N -0.577 115.189 115.700 0.111 0.000 2.423 439 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 439 S C 1.803 176.452 174.600 0.082 0.000 1.014 439 S CA 0.780 59.032 58.200 0.086 0.000 0.965 439 S CB -0.107 63.126 63.200 0.055 0.000 0.785 439 S HN 0.411 nan 8.310 nan 0.000 0.495 440 R N -0.791 119.768 120.500 0.098 0.000 2.280 440 R HA 0.090 4.430 4.340 -0.000 0.000 0.207 440 R C 1.090 177.338 176.300 -0.086 0.000 1.043 440 R CA 0.777 56.877 56.100 0.001 0.000 1.006 440 R CB -0.098 30.191 30.300 -0.018 0.000 0.885 440 R HN 0.392 nan 8.270 nan 0.000 0.467 441 F N -1.037 118.916 119.950 0.005 0.000 2.479 441 F HA 0.086 4.613 4.527 -0.000 0.000 0.280 441 F C 1.749 177.556 175.800 0.011 0.000 0.982 441 F CA 0.195 58.199 58.000 0.007 0.000 1.276 441 F CB 0.085 39.088 39.000 0.005 0.000 1.137 441 F HN -0.197 nan 8.300 nan 0.000 0.660 442 I N -0.156 120.551 120.570 0.230 0.000 3.030 442 I HA 0.057 4.227 4.170 -0.000 0.000 0.270 442 I C 0.484 176.656 176.117 0.091 0.000 1.211 442 I CA 0.746 62.127 61.300 0.134 0.000 1.479 442 I CB -0.260 37.802 38.000 0.103 0.000 1.105 442 I HN -0.112 nan 8.210 nan 0.000 0.447 443 L N 0.000 121.271 121.223 0.079 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.875 54.840 0.058 0.000 0.813 443 L CB 0.000 42.093 42.059 0.057 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502