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 1yy5_1_B DATA FIRST_RESID 8 DATA SEQUENCE KKKVIIIGAG IAGLKAASTL HQNGIQDCLV LEARDRVGGR LQTVTGYQGR DATA SEQUENCE KYDIGASWHH DTLTNPLFLE EAQLSLNDGR TRFVFDDDNF IYIDEERGRV DATA SEQUENCE DHDKELLLEI VDNEMSKFAE LEFHXXXXXS DCSFFQLVMK YLLQRRQFLT DATA SEQUENCE NDQIRYLPQL CRYLELWHGL DWKLLSAKDT YFGHQGRNAF ALNYDSVVQR DATA SEQUENCE IAQSFPQNWL KLScEVKSIT REPSKNVTVN cEDGTVYNAD YVIITVPQSV DATA SEQUENCE LNLSVQPEKN LRGRIEFQPP LKPVIQDAFD KIHFGALGKV IFEFEECCWS DATA SEQUENCE NESSKIVTLA NSTNEFVEIV RNAENLDELD SMLERXXXXX XTSVTCWSQP DATA SEQUENCE LFFVNLSKST GVASFMMLMQ APLTNHIESI REDKERLFSF FQPVLNKIMK DATA SEQUENCE CLDSEDVIDG MRPIENIANA NKPVLRNIIV SNWTRDPYSR GAYSACFPXX DATA SEQUENCE XXVDMVVAMS NGQDSRIRFA GEHTIMDGAG CAYGAWESGR REATRISDLL DATA SEQUENCE KL 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.624 176.600 0.041 0.000 0.988 8 K CA 0.000 56.315 56.287 0.047 0.000 0.838 8 K CB 0.000 32.546 32.500 0.077 0.000 1.064 9 K N 2.630 123.049 120.400 0.032 0.000 2.202 9 K HA 0.219 4.540 4.320 0.001 0.000 0.264 9 K C 0.724 177.309 176.600 -0.025 0.000 1.010 9 K CA 0.047 56.326 56.287 -0.014 0.000 0.940 9 K CB 0.862 33.314 32.500 -0.081 0.000 0.983 9 K HN 0.153 nan 8.250 nan 0.000 0.475 10 K N 0.482 120.860 120.400 -0.037 0.000 1.973 10 K HA 0.012 4.333 4.320 0.001 0.000 0.210 10 K C 0.808 177.400 176.600 -0.014 0.000 1.045 10 K CA 1.022 57.305 56.287 -0.008 0.000 0.937 10 K CB -0.057 32.438 32.500 -0.008 0.000 0.721 10 K HN 0.299 nan 8.250 nan 0.000 0.438 11 V N 1.474 121.318 119.914 -0.117 0.000 2.789 11 V HA 0.389 4.510 4.120 0.001 0.000 0.311 11 V C -0.458 175.485 176.094 -0.251 0.000 1.073 11 V CA -0.787 61.436 62.300 -0.129 0.000 0.921 11 V CB 2.454 34.190 31.823 -0.144 0.000 1.009 11 V HN 0.074 nan 8.190 nan 0.000 0.426 12 I N 4.693 125.142 120.570 -0.202 0.000 2.382 12 I HA 0.475 4.645 4.170 0.001 0.000 0.286 12 I C -0.647 175.334 176.117 -0.227 0.000 1.002 12 I CA -0.374 60.770 61.300 -0.259 0.000 1.135 12 I CB 1.707 39.578 38.000 -0.216 0.000 1.288 12 I HN 0.427 nan 8.210 nan 0.000 0.448 13 I N 7.190 127.597 120.570 -0.272 0.000 2.325 13 I HA 0.322 4.492 4.170 0.001 0.000 0.291 13 I C -0.061 175.956 176.117 -0.167 0.000 1.019 13 I CA -0.351 60.824 61.300 -0.209 0.000 1.302 13 I CB 0.977 38.831 38.000 -0.243 0.000 1.401 13 I HN 0.373 nan 8.210 nan 0.000 0.485 14 I N 6.336 126.836 120.570 -0.116 0.000 2.304 14 I HA 0.524 4.695 4.170 0.001 0.000 0.291 14 I C 0.585 176.676 176.117 -0.043 0.000 1.018 14 I CA -0.193 61.056 61.300 -0.086 0.000 1.260 14 I CB 0.948 38.906 38.000 -0.070 0.000 1.390 14 I HN 0.820 nan 8.210 nan 0.000 0.475 15 G N 4.470 113.243 108.800 -0.046 0.000 2.911 15 G HA2 0.099 4.060 3.960 0.001 0.000 0.686 15 G HA3 0.099 4.060 3.960 0.001 0.000 0.686 15 G C -0.362 174.540 174.900 0.004 0.000 1.136 15 G CA -0.325 44.767 45.100 -0.013 0.000 0.764 15 G HN 0.919 nan 8.290 nan 0.000 0.626 16 A N 1.540 124.376 122.820 0.027 0.000 2.827 16 A HA 0.783 5.103 4.320 0.001 0.000 0.300 16 A C 1.434 179.073 177.584 0.092 0.000 1.237 16 A CA 1.147 53.223 52.037 0.065 0.000 0.964 16 A CB -0.246 18.803 19.000 0.083 0.000 1.143 16 A HN 2.199 nan 8.150 nan 0.000 0.554 17 G N -0.569 108.283 108.800 0.086 0.000 2.486 17 G HA2 0.288 4.249 3.960 0.001 0.000 0.272 17 G HA3 0.288 4.249 3.960 0.001 0.000 0.272 17 G C 1.023 175.992 174.900 0.115 0.000 1.426 17 G CA 0.011 45.167 45.100 0.094 0.000 1.058 17 G HN 0.370 nan 8.290 nan 0.000 0.531 18 I N -0.245 120.398 120.570 0.121 0.000 2.439 18 I HA -0.022 4.148 4.170 0.001 0.000 0.251 18 I C 2.821 179.047 176.117 0.182 0.000 1.139 18 I CA 1.343 62.754 61.300 0.186 0.000 1.438 18 I CB -0.086 38.044 38.000 0.215 0.000 1.085 18 I HN 0.454 nan 8.210 nan 0.000 0.427 19 A N 0.755 123.654 122.820 0.132 0.000 1.851 19 A HA -0.164 4.157 4.320 0.001 0.000 0.216 19 A C 2.365 179.974 177.584 0.041 0.000 1.195 19 A CA 1.867 53.955 52.037 0.084 0.000 0.622 19 A CB -1.678 17.370 19.000 0.080 0.000 0.831 19 A HN 0.473 nan 8.150 nan 0.000 0.444 20 G N -0.440 108.385 108.800 0.043 0.000 2.442 20 G HA2 -0.159 3.802 3.960 0.001 0.000 0.219 20 G HA3 -0.159 3.802 3.960 0.001 0.000 0.219 20 G C 1.573 176.467 174.900 -0.010 0.000 1.141 20 G CA 1.086 46.184 45.100 -0.004 0.000 0.763 20 G HN 0.424 nan 8.290 nan 0.000 0.554 21 L N -0.256 121.015 121.223 0.080 0.000 2.027 21 L HA -0.038 4.303 4.340 0.001 0.000 0.206 21 L C 2.912 179.873 176.870 0.151 0.000 1.074 21 L CA 1.105 56.048 54.840 0.171 0.000 0.745 21 L CB -0.380 41.844 42.059 0.275 0.000 0.898 21 L HN 0.068 nan 8.230 nan 0.000 0.433 22 K N 0.807 121.274 120.400 0.111 0.000 2.009 22 K HA -0.182 4.139 4.320 0.001 0.000 0.210 22 K C 2.109 178.673 176.600 -0.059 0.000 1.049 22 K CA 1.926 58.216 56.287 0.004 0.000 0.929 22 K CB -0.556 31.801 32.500 -0.238 0.000 0.714 22 K HN 0.252 nan 8.250 nan 0.000 0.440 23 A N 0.925 123.690 122.820 -0.091 0.000 1.903 23 A HA -0.213 4.108 4.320 0.001 0.000 0.219 23 A C 2.421 179.941 177.584 -0.107 0.000 1.191 23 A CA 3.001 54.971 52.037 -0.111 0.000 0.638 23 A CB -1.022 17.908 19.000 -0.116 0.000 0.823 23 A HN 0.445 nan 8.150 nan 0.000 0.451 24 A N -0.992 121.725 122.820 -0.173 0.000 1.908 24 A HA -0.139 4.181 4.320 0.001 0.000 0.218 24 A C 2.497 180.077 177.584 -0.007 0.000 1.181 24 A CA 2.380 54.245 52.037 -0.287 0.000 0.627 24 A CB -1.096 17.379 19.000 -0.875 0.000 0.818 24 A HN 0.661 nan 8.150 nan 0.000 0.445 25 S N -1.071 114.704 115.700 0.126 0.000 2.359 25 S HA -0.176 4.295 4.470 0.001 0.000 0.224 25 S C 2.102 176.832 174.600 0.217 0.000 1.035 25 S CA 2.383 60.776 58.200 0.321 0.000 1.018 25 S CB -0.709 62.667 63.200 0.294 0.000 0.876 25 S HN 0.637 nan 8.310 nan 0.000 0.448 26 T N 3.399 118.006 114.554 0.087 0.000 2.595 26 T HA -0.085 4.265 4.350 0.001 0.000 0.264 26 T C 1.783 176.529 174.700 0.077 0.000 1.058 26 T CA 1.793 63.915 62.100 0.037 0.000 1.166 26 T CB -0.800 68.038 68.868 -0.051 0.000 0.863 26 T HN 0.361 nan 8.240 nan 0.000 0.415 27 L N 0.201 121.468 121.223 0.073 0.000 2.011 27 L HA -0.301 4.039 4.340 0.001 0.000 0.225 27 L C 2.550 179.552 176.870 0.221 0.000 1.084 27 L CA 2.297 57.201 54.840 0.107 0.000 0.791 27 L CB -0.849 41.253 42.059 0.072 0.000 0.898 27 L HN 0.406 nan 8.230 nan 0.000 0.440 28 H N -0.130 119.093 119.070 0.255 0.000 2.290 28 H HA -0.255 4.301 4.556 0.001 0.000 0.298 28 H C 2.315 177.704 175.328 0.102 0.000 1.087 28 H CA 2.260 58.423 56.048 0.193 0.000 1.291 28 H CB -0.186 29.663 29.762 0.146 0.000 1.369 28 H HN 0.297 nan 8.280 nan 0.000 0.492 29 Q N -0.189 119.653 119.800 0.070 0.000 2.248 29 Q HA -0.174 4.166 4.340 0.001 0.000 0.208 29 Q C 0.633 176.600 176.000 -0.055 0.000 0.984 29 Q CA 1.619 57.409 55.803 -0.023 0.000 0.875 29 Q CB -0.030 28.742 28.738 0.056 0.000 0.910 29 Q HN 0.467 nan 8.270 nan 0.000 0.433 30 N N -0.860 117.828 118.700 -0.020 0.000 2.346 30 N HA 0.139 4.880 4.740 0.001 0.000 0.225 30 N C 0.358 175.849 175.510 -0.030 0.000 1.144 30 N CA 0.722 53.758 53.050 -0.023 0.000 0.837 30 N CB 0.572 39.053 38.487 -0.010 0.000 1.069 30 N HN 0.416 nan 8.380 nan 0.000 0.487 31 G N 0.081 108.831 108.800 -0.084 0.000 2.322 31 G HA2 -0.334 3.626 3.960 0.001 0.000 0.264 31 G HA3 -0.334 3.626 3.960 0.001 0.000 0.264 31 G C 0.448 175.356 174.900 0.013 0.000 0.992 31 G CA 0.203 45.256 45.100 -0.078 0.000 0.624 31 G HN 0.297 nan 8.290 nan 0.000 0.543 32 I N 0.873 121.482 120.570 0.065 0.000 3.110 32 I HA 0.058 4.229 4.170 0.001 0.000 0.305 32 I C 0.963 177.244 176.117 0.273 0.000 1.232 32 I CA 1.282 62.663 61.300 0.134 0.000 1.431 32 I CB -0.113 37.960 38.000 0.122 0.000 1.320 32 I HN 0.495 nan 8.210 nan 0.000 0.583 33 Q N 1.945 121.911 119.800 0.277 0.000 2.687 33 Q HA 0.284 4.625 4.340 0.001 0.000 0.305 33 Q C -1.031 175.194 176.000 0.375 0.000 1.006 33 Q CA -0.937 55.116 55.803 0.416 0.000 0.763 33 Q CB 1.808 30.691 28.738 0.241 0.000 1.506 33 Q HN 0.539 nan 8.270 nan 0.000 0.459 34 D N 0.363 121.043 120.400 0.467 0.000 2.812 34 D HA -0.155 4.485 4.640 0.001 0.000 0.237 34 D C -0.892 175.376 176.300 -0.052 0.000 1.162 34 D CA 0.638 54.793 54.000 0.259 0.000 0.740 34 D CB -1.132 39.751 40.800 0.138 0.000 1.000 34 D HN 0.422 nan 8.370 nan 0.000 0.416 35 C N 0.111 119.100 119.300 -0.519 0.000 3.119 35 C HA 0.917 5.378 4.460 0.001 0.000 0.359 35 C C 0.355 174.525 174.990 -1.367 0.000 1.486 35 C CA -0.751 57.572 59.018 -1.158 0.000 1.556 35 C CB 2.089 28.763 27.740 -1.777 0.000 2.063 35 C HN 0.462 nan 8.230 nan 0.000 0.454 36 L N 0.197 120.814 121.223 -1.010 0.000 2.582 36 L HA 0.600 4.941 4.340 0.001 0.000 0.257 36 L C -1.600 174.999 176.870 -0.452 0.000 0.974 36 L CA -0.503 53.964 54.840 -0.622 0.000 0.851 36 L CB 2.145 43.897 42.059 -0.513 0.000 1.424 36 L HN 0.405 nan 8.230 nan 0.000 0.412 37 V N 3.223 122.984 119.914 -0.255 0.000 2.357 37 V HA 0.394 4.514 4.120 0.001 0.000 0.281 37 V C -0.298 175.721 176.094 -0.124 0.000 1.015 37 V CA -0.354 61.841 62.300 -0.175 0.000 0.827 37 V CB 1.514 33.287 31.823 -0.083 0.000 1.018 37 V HN 0.431 nan 8.190 nan 0.000 0.432 38 L N 4.090 125.220 121.223 -0.155 0.000 2.257 38 L HA 0.646 4.987 4.340 0.001 0.000 0.290 38 L C -0.021 176.796 176.870 -0.088 0.000 1.044 38 L CA -0.212 54.553 54.840 -0.124 0.000 0.810 38 L CB 1.304 43.273 42.059 -0.151 0.000 1.193 38 L HN 0.615 nan 8.230 nan 0.000 0.425 39 E N 2.439 122.598 120.200 -0.069 0.000 2.176 39 E HA 0.490 4.840 4.350 0.001 0.000 0.267 39 E C 0.256 176.768 176.600 -0.146 0.000 0.893 39 E CA -0.342 56.007 56.400 -0.086 0.000 0.761 39 E CB 2.055 31.734 29.700 -0.034 0.000 1.133 39 E HN 0.542 nan 8.360 nan 0.000 0.409 40 A N 5.376 128.024 122.820 -0.287 0.000 1.930 40 A HA -0.013 4.308 4.320 0.001 0.000 0.217 40 A C 1.109 178.458 177.584 -0.393 0.000 1.175 40 A CA 0.916 52.660 52.037 -0.489 0.000 0.627 40 A CB -0.202 18.101 19.000 -1.162 0.000 0.815 40 A HN 0.599 nan 8.150 nan 0.000 0.443 41 R N 0.156 120.479 120.500 -0.295 0.000 2.649 41 R HA 0.212 4.553 4.340 0.001 0.000 0.270 41 R C -0.237 176.052 176.300 -0.017 0.000 1.105 41 R CA 0.229 56.288 56.100 -0.067 0.000 1.193 41 R CB 0.174 30.494 30.300 0.033 0.000 1.120 41 R HN 0.473 nan 8.270 nan 0.000 0.561 42 D N 0.658 121.073 120.400 0.025 0.000 2.434 42 D HA 0.023 4.664 4.640 0.001 0.000 0.232 42 D C -0.230 176.090 176.300 0.033 0.000 1.166 42 D CA -0.218 53.797 54.000 0.026 0.000 0.830 42 D CB -0.087 40.731 40.800 0.031 0.000 0.960 42 D HN 0.449 nan 8.370 nan 0.000 0.497 43 R N -1.647 118.876 120.500 0.039 0.000 2.716 43 R HA 0.582 4.922 4.340 0.001 0.000 0.271 43 R C -0.934 175.403 176.300 0.062 0.000 1.028 43 R CA -1.135 54.995 56.100 0.051 0.000 0.883 43 R CB 0.999 31.333 30.300 0.057 0.000 1.250 43 R HN -0.092 nan 8.270 nan 0.000 0.465 44 V N -1.479 118.478 119.914 0.073 0.000 3.109 44 V HA 0.894 5.015 4.120 0.001 0.000 0.317 44 V C 0.860 177.014 176.094 0.099 0.000 1.074 44 V CA 0.448 62.802 62.300 0.090 0.000 1.033 44 V CB 0.892 32.780 31.823 0.109 0.000 1.111 44 V HN 1.224 nan 8.190 nan 0.000 0.458 45 G N -0.461 108.403 108.800 0.107 0.000 2.352 45 G HA2 0.172 4.132 3.960 0.001 0.000 0.204 45 G HA3 0.172 4.132 3.960 0.001 0.000 0.204 45 G C 1.552 176.514 174.900 0.102 0.000 1.004 45 G CA 0.644 45.806 45.100 0.104 0.000 0.648 45 G HN 2.606 nan 8.290 nan 0.000 0.491 46 G N 0.654 109.532 108.800 0.130 0.000 2.651 46 G HA2 -0.387 3.573 3.960 0.001 0.000 0.315 46 G HA3 -0.387 3.573 3.960 0.001 0.000 0.315 46 G C 0.797 175.792 174.900 0.158 0.000 1.258 46 G CA 1.311 46.500 45.100 0.148 0.000 1.002 46 G HN 1.174 nan 8.290 nan 0.000 0.551 47 R N 0.148 120.629 120.500 -0.031 0.000 2.346 47 R HA 0.256 4.596 4.340 0.001 0.000 0.208 47 R C 0.199 176.345 176.300 -0.258 0.000 1.052 47 R CA 0.159 56.031 56.100 -0.380 0.000 1.116 47 R CB -0.427 29.572 30.300 -0.502 0.000 1.003 47 R HN 0.324 nan 8.270 nan 0.000 0.482 48 L N 1.034 122.222 121.223 -0.058 0.000 2.316 48 L HA 0.377 4.718 4.340 0.001 0.000 0.280 48 L C -0.549 176.379 176.870 0.096 0.000 1.006 48 L CA -0.481 54.312 54.840 -0.079 0.000 0.836 48 L CB 1.561 43.523 42.059 -0.162 0.000 1.221 48 L HN 0.039 nan 8.230 nan 0.000 0.418 49 Q N 2.341 122.240 119.800 0.166 0.000 2.284 49 Q HA 0.468 4.808 4.340 0.001 0.000 0.269 49 Q C -1.549 174.534 176.000 0.137 0.000 1.026 49 Q CA -0.506 55.404 55.803 0.179 0.000 0.831 49 Q CB 2.726 31.613 28.738 0.249 0.000 1.322 49 Q HN 0.537 nan 8.270 nan 0.000 0.419 50 T N 3.273 117.885 114.554 0.097 0.000 2.770 50 T HA 0.513 4.864 4.350 0.001 0.000 0.283 50 T C -0.033 174.710 174.700 0.073 0.000 0.988 50 T CA -0.497 61.651 62.100 0.079 0.000 0.957 50 T CB 1.001 69.898 68.868 0.049 0.000 0.930 50 T HN 0.496 nan 8.240 nan 0.000 0.443 51 V N 1.298 121.269 119.914 0.095 0.000 3.193 51 V HA 0.896 5.016 4.120 0.001 0.000 0.320 51 V C -0.174 175.978 176.094 0.097 0.000 1.112 51 V CA -0.769 61.582 62.300 0.085 0.000 1.026 51 V CB 1.719 33.591 31.823 0.081 0.000 1.128 51 V HN 0.786 nan 8.190 nan 0.000 0.452 52 T N 1.135 115.738 114.554 0.082 0.000 2.848 52 T HA 0.797 5.148 4.350 0.001 0.000 0.285 52 T C 0.234 175.005 174.700 0.118 0.000 0.995 52 T CA 0.230 62.373 62.100 0.072 0.000 0.970 52 T CB 1.347 70.229 68.868 0.024 0.000 0.976 52 T HN 1.298 nan 8.240 nan 0.000 0.441 53 G N 0.569 109.476 108.800 0.179 0.000 3.234 53 G HA2 0.475 4.435 3.960 0.001 0.000 0.159 53 G HA3 0.475 4.435 3.960 0.001 0.000 0.159 53 G C -0.964 174.063 174.900 0.211 0.000 1.175 53 G CA -0.662 44.572 45.100 0.222 0.000 0.900 53 G HN 0.589 nan 8.290 nan 0.000 0.621 54 Y N 1.679 122.040 120.300 0.102 0.000 2.810 54 Y HA 0.076 4.626 4.550 0.001 0.000 0.332 54 Y C 1.475 177.407 175.900 0.054 0.000 1.243 54 Y CA 1.230 59.368 58.100 0.063 0.000 1.537 54 Y CB 0.039 38.536 38.460 0.063 0.000 1.265 54 Y HN 0.705 nan 8.280 nan 0.000 0.572 55 Q N 3.431 122.996 119.800 -0.391 0.000 2.461 55 Q HA -0.280 4.060 4.340 0.001 0.000 0.264 55 Q C 1.012 176.918 176.000 -0.157 0.000 1.085 55 Q CA 0.897 56.478 55.803 -0.370 0.000 1.006 55 Q CB -2.055 26.375 28.738 -0.513 0.000 1.437 55 Q HN 1.357 nan 8.270 nan 0.000 0.514 56 G N -0.004 108.748 108.800 -0.079 0.000 2.143 56 G HA2 -0.362 3.598 3.960 0.001 0.000 0.248 56 G HA3 -0.362 3.598 3.960 0.001 0.000 0.248 56 G C 0.078 174.931 174.900 -0.079 0.000 0.991 56 G CA 0.399 45.464 45.100 -0.059 0.000 0.689 56 G HN 0.378 nan 8.290 nan 0.000 0.522 57 R N 0.011 120.465 120.500 -0.076 0.000 2.590 57 R HA 0.477 4.817 4.340 0.001 0.000 0.274 57 R C 0.319 176.384 176.300 -0.392 0.000 1.061 57 R CA 0.224 56.187 56.100 -0.228 0.000 1.081 57 R CB 0.591 30.782 30.300 -0.182 0.000 0.984 57 R HN 0.259 nan 8.270 nan 0.000 0.448 58 K N 2.085 122.176 120.400 -0.515 0.000 2.207 58 K HA 0.398 4.718 4.320 0.001 0.000 0.255 58 K C -1.327 174.917 176.600 -0.593 0.000 0.941 58 K CA -0.512 55.545 56.287 -0.383 0.000 0.825 58 K CB 1.461 33.858 32.500 -0.171 0.000 1.119 58 K HN 0.403 nan 8.250 nan 0.000 0.430 59 Y N 0.067 120.390 120.300 0.037 0.000 2.470 59 Y HA 0.176 4.727 4.550 0.001 0.000 0.341 59 Y C -0.638 175.271 175.900 0.016 0.000 1.021 59 Y CA -1.206 56.918 58.100 0.040 0.000 1.025 59 Y CB 1.657 40.144 38.460 0.044 0.000 1.266 59 Y HN 0.448 nan 8.280 nan 0.000 0.448 60 D N 2.909 123.390 120.400 0.135 0.000 2.352 60 D HA 0.101 4.742 4.640 0.001 0.000 0.245 60 D C 0.528 176.894 176.300 0.110 0.000 1.224 60 D CA 0.300 54.340 54.000 0.067 0.000 0.879 60 D CB 1.592 42.359 40.800 -0.055 0.000 1.057 60 D HN 0.553 nan 8.370 nan 0.000 0.491 61 I N 2.462 123.132 120.570 0.167 0.000 3.428 61 I HA 0.072 4.243 4.170 0.001 0.000 0.286 61 I C 1.326 177.695 176.117 0.421 0.000 1.287 61 I CA 0.436 61.862 61.300 0.210 0.000 1.396 61 I CB 0.194 38.269 38.000 0.125 0.000 1.062 61 I HN 0.369 nan 8.210 nan 0.000 0.471 62 G N -0.601 108.396 108.800 0.329 0.000 3.271 62 G HA2 0.579 4.540 3.960 0.001 0.000 0.174 62 G HA3 0.579 4.540 3.960 0.001 0.000 0.174 62 G C -0.247 174.627 174.900 -0.043 0.000 1.385 62 G CA 0.035 45.235 45.100 0.168 0.000 0.979 62 G HN 0.340 nan 8.290 nan 0.000 0.610 63 A N -0.536 122.155 122.820 -0.216 0.000 2.498 63 A HA 0.470 4.790 4.320 0.001 0.000 0.239 63 A C 1.148 178.602 177.584 -0.216 0.000 1.068 63 A CA 0.915 52.786 52.037 -0.275 0.000 0.766 63 A CB 0.366 19.029 19.000 -0.561 0.000 1.003 63 A HN 1.442 nan 8.150 nan 0.000 0.497 64 S N 0.558 116.168 115.700 -0.150 0.000 2.728 64 S HA 0.230 4.700 4.470 0.001 0.000 0.257 64 S C -0.046 174.168 174.600 -0.643 0.000 1.060 64 S CA -0.442 57.501 58.200 -0.429 0.000 1.126 64 S CB 0.206 62.944 63.200 -0.770 0.000 1.099 64 S HN 0.713 nan 8.310 nan 0.000 0.617 65 W N 1.828 123.019 121.300 -0.181 0.000 2.799 65 W HA 0.507 5.168 4.660 0.001 0.000 0.349 65 W C -0.538 175.704 176.519 -0.462 0.000 1.100 65 W CA -0.655 56.476 57.345 -0.356 0.000 1.174 65 W CB 0.879 30.092 29.460 -0.412 0.000 1.427 65 W HN 0.202 nan 8.180 nan 0.000 0.547 66 H N 2.005 121.004 119.070 -0.117 0.000 2.597 66 H HA 0.226 4.783 4.556 0.001 0.000 0.303 66 H C 0.190 175.375 175.328 -0.239 0.000 1.057 66 H CA -0.041 55.912 56.048 -0.159 0.000 1.261 66 H CB 0.761 30.357 29.762 -0.276 0.000 1.397 66 H HN 0.189 nan 8.280 nan 0.000 0.461 67 H N 1.820 120.984 119.070 0.157 0.000 2.495 67 H HA 0.026 4.582 4.556 0.001 0.000 0.350 67 H C 0.296 175.603 175.328 -0.034 0.000 1.202 67 H CA -0.286 55.785 56.048 0.039 0.000 1.322 67 H CB 0.908 30.747 29.762 0.128 0.000 1.544 67 H HN 0.658 nan 8.280 nan 0.000 0.565 68 D N 0.699 121.136 120.400 0.062 0.000 2.735 68 D HA -0.150 4.490 4.640 0.001 0.000 0.235 68 D C 1.122 177.336 176.300 -0.144 0.000 1.175 68 D CA 1.080 55.097 54.000 0.028 0.000 0.683 68 D CB -1.517 39.381 40.800 0.164 0.000 1.008 68 D HN 0.780 nan 8.370 nan 0.000 0.416 69 T N -3.079 111.328 114.554 -0.244 0.000 3.025 69 T HA -0.074 4.277 4.350 0.001 0.000 0.270 69 T C 2.032 176.654 174.700 -0.130 0.000 1.126 69 T CA 0.369 62.200 62.100 -0.447 0.000 1.105 69 T CB 0.063 68.449 68.868 -0.803 0.000 0.884 69 T HN 0.421 nan 8.240 nan 0.000 0.522 70 L N 1.323 122.518 121.223 -0.047 0.000 2.240 70 L HA 0.069 4.409 4.340 0.001 0.000 0.211 70 L C 2.823 179.704 176.870 0.018 0.000 1.106 70 L CA 1.527 56.375 54.840 0.014 0.000 0.793 70 L CB -0.225 41.849 42.059 0.025 0.000 0.927 70 L HN 0.576 nan 8.230 nan 0.000 0.446 71 T N -6.374 108.170 114.554 -0.017 0.000 2.986 71 T HA 0.018 4.368 4.350 0.001 0.000 0.264 71 T C 0.676 175.314 174.700 -0.103 0.000 0.964 71 T CA -0.404 61.687 62.100 -0.015 0.000 0.895 71 T CB -0.506 68.378 68.868 0.028 0.000 1.163 71 T HN 0.133 nan 8.240 nan 0.000 0.517 72 N N 4.085 122.619 118.700 -0.277 0.000 2.418 72 N HA 0.055 4.795 4.740 0.001 0.000 0.277 72 N C -1.095 174.256 175.510 -0.266 0.000 1.317 72 N CA -1.144 51.531 53.050 -0.626 0.000 0.922 72 N CB 1.032 39.062 38.487 -0.761 0.000 1.194 72 N HN 0.144 nan 8.380 nan 0.000 0.485 73 P HA -0.171 nan 4.420 nan 0.000 0.219 73 P C 1.382 178.516 177.300 -0.277 0.000 1.150 73 P CA 0.584 63.665 63.100 -0.031 0.000 0.814 73 P CB 0.202 32.050 31.700 0.246 0.000 0.787 74 L N -0.715 120.182 121.223 -0.543 0.000 2.056 74 L HA -0.050 4.290 4.340 0.001 0.000 0.207 74 L C 2.466 179.049 176.870 -0.478 0.000 1.078 74 L CA 1.602 55.896 54.840 -0.911 0.000 0.749 74 L CB -1.757 39.819 42.059 -0.804 0.000 0.901 74 L HN -0.187 nan 8.230 nan 0.000 0.433 75 F N -0.302 119.358 119.950 -0.484 0.000 2.134 75 F HA -0.184 4.344 4.527 0.001 0.000 0.299 75 F C 2.020 177.546 175.800 -0.457 0.000 1.097 75 F CA 1.720 59.330 58.000 -0.649 0.000 1.264 75 F CB -0.336 38.282 39.000 -0.636 0.000 1.001 75 F HN 0.061 nan 8.300 nan 0.000 0.479 76 L N 0.168 121.166 121.223 -0.375 0.000 2.046 76 L HA -0.220 4.121 4.340 0.001 0.000 0.208 76 L C 2.524 179.209 176.870 -0.310 0.000 1.077 76 L CA 1.943 56.592 54.840 -0.320 0.000 0.747 76 L CB -0.947 41.057 42.059 -0.091 0.000 0.896 76 L HN 0.259 nan 8.230 nan 0.000 0.432 77 E N 0.259 120.306 120.200 -0.255 0.000 2.058 77 E HA -0.242 4.108 4.350 0.001 0.000 0.194 77 E C 2.079 178.558 176.600 -0.203 0.000 0.997 77 E CA 1.242 57.547 56.400 -0.160 0.000 0.801 77 E CB 0.118 29.753 29.700 -0.108 0.000 0.746 77 E HN 0.373 nan 8.360 nan 0.000 0.450 78 E N 0.083 120.090 120.200 -0.320 0.000 2.153 78 E HA -0.194 4.156 4.350 0.001 0.000 0.194 78 E C 1.954 178.449 176.600 -0.176 0.000 0.988 78 E CA 0.963 57.217 56.400 -0.243 0.000 0.811 78 E CB -0.186 29.328 29.700 -0.310 0.000 0.746 78 E HN 0.393 nan 8.360 nan 0.000 0.466 79 A N 1.299 123.885 122.820 -0.391 0.000 1.898 79 A HA -0.189 4.131 4.320 0.001 0.000 0.216 79 A C 2.150 179.681 177.584 -0.088 0.000 1.181 79 A CA 1.105 53.024 52.037 -0.197 0.000 0.620 79 A CB -0.268 18.482 19.000 -0.417 0.000 0.819 79 A HN 0.080 nan 8.150 nan 0.000 0.442 80 Q N -0.151 119.582 119.800 -0.112 0.000 2.084 80 Q HA -0.091 4.249 4.340 0.001 0.000 0.202 80 Q C 2.188 178.161 176.000 -0.046 0.000 0.978 80 Q CA 1.288 57.056 55.803 -0.059 0.000 0.844 80 Q CB -0.550 28.159 28.738 -0.048 0.000 0.898 80 Q HN 0.731 nan 8.270 nan 0.000 0.426 81 L N 0.153 121.344 121.223 -0.053 0.000 2.081 81 L HA -0.206 4.135 4.340 0.001 0.000 0.212 81 L C 2.333 179.173 176.870 -0.050 0.000 1.080 81 L CA 1.211 56.026 54.840 -0.041 0.000 0.754 81 L CB -0.407 41.628 42.059 -0.040 0.000 0.893 81 L HN 0.083 nan 8.230 nan 0.000 0.433 82 S N -0.569 115.094 115.700 -0.062 0.000 2.461 82 S HA -0.054 4.416 4.470 0.001 0.000 0.228 82 S C 1.743 176.305 174.600 -0.063 0.000 1.005 82 S CA 0.507 58.653 58.200 -0.090 0.000 0.942 82 S CB -0.028 63.073 63.200 -0.165 0.000 0.776 82 S HN 0.179 nan 8.310 nan 0.000 0.514 83 L N 2.179 123.379 121.223 -0.038 0.000 2.179 83 L HA 0.130 4.471 4.340 0.001 0.000 0.208 83 L C 1.566 178.421 176.870 -0.025 0.000 1.096 83 L CA 1.331 56.157 54.840 -0.023 0.000 0.779 83 L CB -0.583 41.469 42.059 -0.012 0.000 0.922 83 L HN 0.139 nan 8.230 nan 0.000 0.443 84 N N -0.051 118.633 118.700 -0.027 0.000 2.250 84 N HA -0.100 4.641 4.740 0.001 0.000 0.181 84 N C 0.885 176.379 175.510 -0.027 0.000 1.017 84 N CA 1.413 54.449 53.050 -0.023 0.000 0.866 84 N CB -0.085 38.391 38.487 -0.019 0.000 0.985 84 N HN 0.574 nan 8.380 nan 0.000 0.429 85 D N -2.492 117.887 120.400 -0.036 0.000 2.500 85 D HA 0.226 4.867 4.640 0.001 0.000 0.217 85 D C 1.101 177.373 176.300 -0.046 0.000 1.159 85 D CA 0.287 54.264 54.000 -0.037 0.000 0.828 85 D CB -0.138 40.640 40.800 -0.037 0.000 1.039 85 D HN 0.098 nan 8.370 nan 0.000 0.512 86 G N 0.929 109.696 108.800 -0.055 0.000 2.196 86 G HA2 -0.374 3.586 3.960 0.001 0.000 0.268 86 G HA3 -0.374 3.586 3.960 0.001 0.000 0.268 86 G C 0.187 175.038 174.900 -0.082 0.000 0.975 86 G CA 0.264 45.326 45.100 -0.063 0.000 0.648 86 G HN 0.470 nan 8.290 nan 0.000 0.538 87 R N 0.410 120.856 120.500 -0.089 0.000 2.490 87 R HA 0.412 4.753 4.340 0.001 0.000 0.280 87 R C -0.160 176.045 176.300 -0.158 0.000 1.077 87 R CA -0.075 55.965 56.100 -0.100 0.000 1.065 87 R CB 0.461 30.711 30.300 -0.082 0.000 1.003 87 R HN 0.118 nan 8.270 nan 0.000 0.470 88 T N 3.254 117.715 114.554 -0.156 0.000 2.779 88 T HA 0.136 4.487 4.350 0.001 0.000 0.296 88 T C 1.145 175.706 174.700 -0.232 0.000 0.938 88 T CA -0.028 61.937 62.100 -0.224 0.000 1.119 88 T CB 0.565 69.346 68.868 -0.145 0.000 0.891 88 T HN 0.456 nan 8.240 nan 0.000 0.526 89 R N 1.794 122.057 120.500 -0.395 0.000 2.344 89 R HA 0.282 4.622 4.340 0.001 0.000 0.209 89 R C -0.316 175.946 176.300 -0.063 0.000 0.886 89 R CA 0.226 56.202 56.100 -0.207 0.000 1.040 89 R CB 0.584 30.821 30.300 -0.106 0.000 1.114 89 R HN 0.678 nan 8.270 nan 0.000 0.547 90 F N -3.431 116.519 119.950 -0.000 0.000 2.817 90 F HA 0.596 5.123 4.527 0.001 0.000 0.317 90 F C -1.471 174.377 175.800 0.080 0.000 1.168 90 F CA -1.577 56.441 58.000 0.030 0.000 0.911 90 F CB 1.131 40.160 39.000 0.048 0.000 1.337 90 F HN -0.340 nan 8.300 nan 0.000 0.464 91 V N 1.377 121.518 119.914 0.379 0.000 2.777 91 V HA 0.551 4.672 4.120 0.001 0.000 0.306 91 V C -1.673 174.583 176.094 0.269 0.000 1.112 91 V CA -0.837 61.657 62.300 0.323 0.000 0.917 91 V CB 1.829 33.783 31.823 0.219 0.000 1.018 91 V HN 0.696 nan 8.190 nan 0.000 0.426 92 F N 6.216 126.344 119.950 0.296 0.000 2.512 92 F HA 0.291 4.819 4.527 0.001 0.000 0.350 92 F C 1.388 177.298 175.800 0.184 0.000 1.212 92 F CA -0.141 57.992 58.000 0.223 0.000 1.099 92 F CB 0.564 39.659 39.000 0.160 0.000 1.238 92 F HN 0.729 nan 8.300 nan 0.000 0.600 93 D N 0.285 120.860 120.400 0.291 0.000 2.342 93 D HA -0.020 4.621 4.640 0.001 0.000 0.221 93 D C -0.068 176.344 176.300 0.188 0.000 1.101 93 D CA -0.159 53.969 54.000 0.214 0.000 0.837 93 D CB -0.335 40.565 40.800 0.167 0.000 0.938 93 D HN 0.203 nan 8.370 nan 0.000 0.508 94 D N 0.955 121.482 120.400 0.212 0.000 2.423 94 D HA 0.218 4.859 4.640 0.001 0.000 0.238 94 D C -0.080 176.285 176.300 0.109 0.000 1.142 94 D CA 0.704 54.803 54.000 0.164 0.000 0.884 94 D CB 1.134 42.044 40.800 0.183 0.000 1.199 94 D HN 0.164 nan 8.370 nan 0.000 0.438 95 D N -0.021 120.419 120.400 0.067 0.000 2.692 95 D HA 0.142 4.782 4.640 0.001 0.000 0.303 95 D C -1.126 175.199 176.300 0.042 0.000 1.278 95 D CA -0.570 53.436 54.000 0.011 0.000 0.852 95 D CB 1.220 41.972 40.800 -0.081 0.000 1.375 95 D HN 0.070 nan 8.370 nan 0.000 0.453 96 N N 0.870 119.582 118.700 0.020 0.000 2.430 96 N HA 0.193 4.934 4.740 0.001 0.000 0.265 96 N C -0.374 175.157 175.510 0.034 0.000 1.100 96 N CA 0.016 53.113 53.050 0.078 0.000 0.961 96 N CB 0.136 38.635 38.487 0.021 0.000 1.075 96 N HN 0.193 nan 8.380 nan 0.000 0.478 97 F N 1.789 121.700 119.950 -0.066 0.000 2.529 97 F HA 0.224 4.751 4.527 0.001 0.000 0.365 97 F C 1.200 176.874 175.800 -0.209 0.000 1.102 97 F CA -0.062 57.817 58.000 -0.202 0.000 1.271 97 F CB 0.478 39.233 39.000 -0.408 0.000 1.120 97 F HN 0.226 nan 8.300 nan 0.000 0.579 98 I N 4.335 124.808 120.570 -0.162 0.000 2.336 98 I HA 0.202 4.373 4.170 0.001 0.000 0.292 98 I C -1.030 174.992 176.117 -0.160 0.000 0.991 98 I CA -0.684 60.571 61.300 -0.076 0.000 1.227 98 I CB 0.950 38.907 38.000 -0.071 0.000 1.366 98 I HN 0.423 nan 8.210 nan 0.000 0.466 99 Y N 6.664 127.048 120.300 0.140 0.000 2.335 99 Y HA 0.548 5.099 4.550 0.001 0.000 0.338 99 Y C 0.002 175.976 175.900 0.124 0.000 0.977 99 Y CA -0.551 57.642 58.100 0.156 0.000 1.114 99 Y CB 1.476 40.023 38.460 0.145 0.000 1.182 99 Y HN 0.321 nan 8.280 nan 0.000 0.463 100 I N 3.787 124.526 120.570 0.282 0.000 2.418 100 I HA 0.224 4.395 4.170 0.001 0.000 0.287 100 I C -0.793 175.505 176.117 0.302 0.000 1.008 100 I CA -0.636 60.805 61.300 0.234 0.000 1.104 100 I CB 1.499 39.613 38.000 0.189 0.000 1.264 100 I HN 0.598 nan 8.210 nan 0.000 0.438 101 D N 5.703 126.219 120.400 0.193 0.000 2.185 101 D HA 0.094 4.734 4.640 0.001 0.000 0.247 101 D C 0.787 177.053 176.300 -0.055 0.000 1.027 101 D CA -0.287 53.795 54.000 0.136 0.000 0.861 101 D CB 2.173 43.054 40.800 0.135 0.000 1.202 101 D HN 0.716 nan 8.370 nan 0.000 0.453 102 E N 2.510 122.424 120.200 -0.477 0.000 2.086 102 E HA -0.251 4.100 4.350 0.001 0.000 0.200 102 E C 0.958 177.357 176.600 -0.336 0.000 1.012 102 E CA 1.730 57.645 56.400 -0.809 0.000 0.812 102 E CB 0.344 29.047 29.700 -1.662 0.000 0.743 102 E HN 0.573 nan 8.360 nan 0.000 0.453 103 E N -0.343 119.726 120.200 -0.217 0.000 2.045 103 E HA -0.040 4.310 4.350 0.001 0.000 0.190 103 E C 2.427 179.000 176.600 -0.046 0.000 0.968 103 E CA -0.085 56.252 56.400 -0.105 0.000 0.813 103 E CB -0.155 29.509 29.700 -0.059 0.000 0.780 103 E HN 0.063 nan 8.360 nan 0.000 0.455 104 R N 0.463 120.953 120.500 -0.018 0.000 2.083 104 R HA -0.098 4.243 4.340 0.001 0.000 0.237 104 R C 1.207 177.492 176.300 -0.025 0.000 1.137 104 R CA 1.560 57.643 56.100 -0.027 0.000 0.951 104 R CB -0.320 29.927 30.300 -0.088 0.000 0.851 104 R HN 0.334 nan 8.270 nan 0.000 0.434 105 G N -0.020 108.774 108.800 -0.010 0.000 2.601 105 G HA2 -0.257 3.704 3.960 0.001 0.000 0.224 105 G HA3 -0.257 3.704 3.960 0.001 0.000 0.224 105 G C -0.913 174.007 174.900 0.033 0.000 1.171 105 G CA -0.153 44.959 45.100 0.021 0.000 1.009 105 G HN 0.339 nan 8.290 nan 0.000 0.589 106 R N 0.339 120.860 120.500 0.035 0.000 2.438 106 R HA 0.445 4.786 4.340 0.001 0.000 0.287 106 R C 0.916 177.231 176.300 0.024 0.000 1.077 106 R CA 0.478 56.613 56.100 0.058 0.000 1.034 106 R CB 1.216 31.554 30.300 0.064 0.000 0.993 106 R HN 1.225 nan 8.270 nan 0.000 0.459 107 V N -1.868 118.079 119.914 0.054 0.000 3.111 107 V HA 0.139 4.260 4.120 0.001 0.000 0.343 107 V C -0.374 175.760 176.094 0.068 0.000 1.417 107 V CA -0.604 61.683 62.300 -0.021 0.000 1.142 107 V CB 0.135 31.855 31.823 -0.171 0.000 1.114 107 V HN 0.730 nan 8.190 nan 0.000 0.520 108 D N -0.193 120.314 120.400 0.179 0.000 2.175 108 D HA 0.285 4.926 4.640 0.001 0.000 0.248 108 D C 0.452 176.903 176.300 0.252 0.000 1.047 108 D CA -0.494 53.671 54.000 0.275 0.000 0.883 108 D CB 1.244 42.279 40.800 0.391 0.000 1.180 108 D HN 0.355 nan 8.370 nan 0.000 0.438 109 H N -0.495 118.640 119.070 0.108 0.000 2.776 109 H HA -0.204 4.353 4.556 0.001 0.000 0.300 109 H C -0.872 174.485 175.328 0.048 0.000 1.161 109 H CA 0.859 56.952 56.048 0.074 0.000 1.147 109 H CB -1.122 28.685 29.762 0.076 0.000 1.366 109 H HN 0.424 nan 8.280 nan 0.000 0.397 110 D N 0.803 121.208 120.400 0.007 0.000 2.348 110 D HA 0.028 4.668 4.640 0.001 0.000 0.253 110 D C 1.375 177.631 176.300 -0.075 0.000 1.161 110 D CA 0.451 54.435 54.000 -0.027 0.000 0.876 110 D CB 0.707 41.495 40.800 -0.020 0.000 1.160 110 D HN 0.746 nan 8.370 nan 0.000 0.459 111 K N 2.669 123.028 120.400 -0.067 0.000 2.218 111 K HA -0.182 4.139 4.320 0.001 0.000 0.205 111 K C 0.819 177.396 176.600 -0.038 0.000 1.046 111 K CA 1.395 57.644 56.287 -0.064 0.000 0.933 111 K CB 0.194 32.673 32.500 -0.035 0.000 0.728 111 K HN 0.422 nan 8.250 nan 0.000 0.454 112 E N 0.119 120.304 120.200 -0.024 0.000 2.453 112 E HA 0.154 4.505 4.350 0.001 0.000 0.211 112 E C 1.867 178.467 176.600 0.001 0.000 0.897 112 E CA -0.129 56.266 56.400 -0.008 0.000 1.063 112 E CB 0.322 30.022 29.700 -0.000 0.000 1.080 112 E HN 0.158 nan 8.360 nan 0.000 0.512 113 L N 0.791 122.008 121.223 -0.010 0.000 2.209 113 L HA 0.092 4.432 4.340 0.001 0.000 0.207 113 L C 0.775 177.652 176.870 0.011 0.000 1.094 113 L CA 0.312 55.153 54.840 0.002 0.000 0.790 113 L CB -0.226 41.812 42.059 -0.035 0.000 0.932 113 L HN 0.177 nan 8.230 nan 0.000 0.447 114 L N 0.866 122.086 121.223 -0.006 0.000 4.060 114 L HA -0.284 4.056 4.340 0.001 0.000 0.467 114 L C 1.375 178.255 176.870 0.017 0.000 1.157 114 L CA -0.116 54.724 54.840 -0.001 0.000 0.719 114 L CB -1.386 40.676 42.059 0.005 0.000 1.606 114 L HN 0.369 nan 8.230 nan 0.000 0.822 115 L N -0.636 120.589 121.223 0.004 0.000 2.109 115 L HA -0.167 4.173 4.340 0.001 0.000 0.207 115 L C 2.237 179.101 176.870 -0.009 0.000 1.086 115 L CA 1.409 56.246 54.840 -0.005 0.000 0.760 115 L CB -0.102 41.921 42.059 -0.060 0.000 0.910 115 L HN 0.395 nan 8.230 nan 0.000 0.437 116 E N 0.392 120.590 120.200 -0.003 0.000 2.150 116 E HA -0.154 4.197 4.350 0.001 0.000 0.193 116 E C 2.134 178.755 176.600 0.035 0.000 0.985 116 E CA 1.006 57.420 56.400 0.023 0.000 0.814 116 E CB -0.131 29.608 29.700 0.065 0.000 0.752 116 E HN 0.445 nan 8.360 nan 0.000 0.466 117 I N 0.260 120.851 120.570 0.034 0.000 2.353 117 I HA -0.192 3.978 4.170 0.001 0.000 0.248 117 I C 2.136 178.279 176.117 0.043 0.000 1.119 117 I CA 0.772 62.094 61.300 0.036 0.000 1.417 117 I CB -0.237 37.782 38.000 0.032 0.000 1.078 117 I HN 0.087 nan 8.210 nan 0.000 0.421 118 V N -1.662 118.285 119.914 0.055 0.000 2.548 118 V HA -0.205 3.915 4.120 0.001 0.000 0.249 118 V C 2.067 178.164 176.094 0.005 0.000 1.055 118 V CA 1.965 64.313 62.300 0.081 0.000 1.065 118 V CB -0.850 31.056 31.823 0.139 0.000 0.681 118 V HN 0.324 nan 8.190 nan 0.000 0.462 119 D N 1.302 121.709 120.400 0.011 0.000 2.123 119 D HA -0.207 4.434 4.640 0.001 0.000 0.196 119 D C 1.933 178.229 176.300 -0.007 0.000 0.992 119 D CA 2.219 56.227 54.000 0.013 0.000 0.833 119 D CB -0.435 40.418 40.800 0.088 0.000 0.954 119 D HN 0.649 nan 8.370 nan 0.000 0.455 120 N N -0.345 118.359 118.700 0.006 0.000 2.043 120 N HA -0.198 4.543 4.740 0.001 0.000 0.193 120 N C 1.754 177.232 175.510 -0.053 0.000 1.037 120 N CA 1.166 54.209 53.050 -0.011 0.000 0.851 120 N CB -0.124 38.368 38.487 0.008 0.000 1.027 120 N HN 0.290 nan 8.380 nan 0.000 0.422 121 E N 0.653 120.837 120.200 -0.027 0.000 2.070 121 E HA -0.256 4.095 4.350 0.001 0.000 0.197 121 E C 2.052 178.589 176.600 -0.105 0.000 1.004 121 E CA 1.056 57.458 56.400 0.003 0.000 0.805 121 E CB 0.017 29.781 29.700 0.106 0.000 0.744 121 E HN 0.237 nan 8.360 nan 0.000 0.451 122 M N 0.601 119.974 119.600 -0.377 0.000 2.106 122 M HA -0.190 4.291 4.480 0.001 0.000 0.259 122 M C 2.520 178.608 176.300 -0.354 0.000 1.068 122 M CA 1.689 56.550 55.300 -0.732 0.000 1.100 122 M CB -0.801 31.381 32.600 -0.697 0.000 1.351 122 M HN 0.167 nan 8.290 nan 0.000 0.404 123 S N -0.289 115.185 115.700 -0.377 0.000 2.368 123 S HA -0.124 4.347 4.470 0.001 0.000 0.224 123 S C 1.916 176.282 174.600 -0.390 0.000 1.029 123 S CA 1.054 58.825 58.200 -0.714 0.000 0.988 123 S CB -0.034 62.873 63.200 -0.487 0.000 0.838 123 S HN 0.330 nan 8.310 nan 0.000 0.462 124 K N 0.271 120.578 120.400 -0.156 0.000 2.148 124 K HA -0.023 4.298 4.320 0.001 0.000 0.204 124 K C 1.773 178.379 176.600 0.011 0.000 1.050 124 K CA 0.897 57.150 56.287 -0.056 0.000 0.942 124 K CB -0.641 31.857 32.500 -0.004 0.000 0.724 124 K HN 0.563 nan 8.250 nan 0.000 0.446 125 F N 1.561 121.460 119.950 -0.086 0.000 2.134 125 F HA -0.235 4.293 4.527 0.001 0.000 0.299 125 F C 2.066 177.867 175.800 0.002 0.000 1.097 125 F CA 1.614 59.615 58.000 0.001 0.000 1.264 125 F CB -0.244 38.808 39.000 0.086 0.000 1.001 125 F HN 0.005 nan 8.300 nan 0.000 0.479 126 A N 0.016 122.901 122.820 0.108 0.000 1.902 126 A HA -0.260 4.060 4.320 0.001 0.000 0.217 126 A C 2.220 179.903 177.584 0.164 0.000 1.181 126 A CA 1.852 53.980 52.037 0.151 0.000 0.623 126 A CB -1.099 17.908 19.000 0.012 0.000 0.818 126 A HN 0.614 nan 8.150 nan 0.000 0.443 127 E N -0.149 120.064 120.200 0.023 0.000 2.077 127 E HA -0.169 4.182 4.350 0.001 0.000 0.193 127 E C 1.919 178.574 176.600 0.092 0.000 0.989 127 E CA 1.174 57.615 56.400 0.068 0.000 0.800 127 E CB -0.234 29.465 29.700 -0.001 0.000 0.746 127 E HN 0.620 nan 8.360 nan 0.000 0.452 128 L N 0.574 121.784 121.223 -0.022 0.000 2.056 128 L HA -0.162 4.178 4.340 0.001 0.000 0.207 128 L C 2.665 179.422 176.870 -0.189 0.000 1.078 128 L CA 1.365 56.153 54.840 -0.086 0.000 0.749 128 L CB -0.371 41.593 42.059 -0.158 0.000 0.901 128 L HN 0.168 nan 8.230 nan 0.000 0.433 129 E N -0.056 119.923 120.200 -0.368 0.000 2.130 129 E HA -0.210 4.141 4.350 0.001 0.000 0.196 129 E C 1.525 177.779 176.600 -0.577 0.000 0.998 129 E CA 1.790 57.843 56.400 -0.578 0.000 0.806 129 E CB -0.017 29.224 29.700 -0.766 0.000 0.738 129 E HN 0.359 nan 8.360 nan 0.000 0.459 130 F N -1.394 118.519 119.950 -0.062 0.000 2.350 130 F HA 0.202 4.730 4.527 0.001 0.000 0.253 130 F C 1.499 177.349 175.800 0.083 0.000 1.088 130 F CA 0.732 58.732 58.000 -0.001 0.000 1.037 130 F CB -0.909 38.093 39.000 0.004 0.000 1.107 130 F HN 0.035 nan 8.300 nan 0.000 0.603 138 D N 0.272 120.761 120.400 0.149 0.000 10.353 138 D HA -0.014 4.626 4.640 0.001 0.000 0.299 138 D C -0.135 176.249 176.300 0.141 0.000 2.968 138 D CA 0.679 54.817 54.000 0.231 0.000 2.730 138 D CB -1.146 39.738 40.800 0.140 0.000 1.136 138 D HN 1.235 nan 8.370 nan 0.000 0.868 139 C N 1.553 120.961 119.300 0.181 0.000 3.277 139 C HA 0.972 5.433 4.460 0.001 0.000 0.367 139 C C 0.626 175.702 174.990 0.143 0.000 1.949 139 C CA 0.040 59.136 59.018 0.129 0.000 1.428 139 C CB 0.911 28.715 27.740 0.107 0.000 2.409 139 C HN 1.052 nan 8.230 nan 0.000 0.460 140 S N -0.286 115.497 115.700 0.139 0.000 2.616 140 S HA 0.465 4.936 4.470 0.001 0.000 0.277 140 S C 0.290 175.029 174.600 0.233 0.000 1.234 140 S CA -0.236 58.070 58.200 0.176 0.000 1.028 140 S CB 0.577 63.882 63.200 0.175 0.000 0.988 140 S HN 0.987 nan 8.310 nan 0.000 0.522 141 F N 2.311 122.342 119.950 0.134 0.000 2.154 141 F HA -0.108 4.419 4.527 0.001 0.000 0.301 141 F C 1.525 177.447 175.800 0.205 0.000 1.087 141 F CA 1.367 59.471 58.000 0.172 0.000 1.274 141 F CB -0.676 38.418 39.000 0.157 0.000 1.009 141 F HN 0.784 nan 8.300 nan 0.000 0.485 142 F N 1.104 121.021 119.950 -0.055 0.000 2.134 142 F HA -0.173 4.354 4.527 0.001 0.000 0.299 142 F C 2.431 178.019 175.800 -0.354 0.000 1.097 142 F CA 1.954 59.658 58.000 -0.494 0.000 1.264 142 F CB -0.922 37.519 39.000 -0.933 0.000 1.001 142 F HN 0.071 nan 8.300 nan 0.000 0.479 143 Q N 0.495 120.066 119.800 -0.382 0.000 2.167 143 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 143 Q C 2.006 177.856 176.000 -0.251 0.000 0.970 143 Q CA 1.676 57.257 55.803 -0.370 0.000 0.855 143 Q CB -0.643 28.053 28.738 -0.070 0.000 0.911 143 Q HN 0.546 nan 8.270 nan 0.000 0.438 144 L N -0.924 120.233 121.223 -0.110 0.000 2.072 144 L HA -0.057 4.284 4.340 0.001 0.000 0.205 144 L C 1.932 178.774 176.870 -0.046 0.000 1.079 144 L CA 1.283 56.155 54.840 0.054 0.000 0.752 144 L CB -0.496 41.719 42.059 0.259 0.000 0.906 144 L HN 0.097 nan 8.230 nan 0.000 0.436 145 V N -0.488 119.261 119.914 -0.275 0.000 2.490 145 V HA -0.278 3.842 4.120 0.001 0.000 0.250 145 V C 2.537 178.530 176.094 -0.168 0.000 1.061 145 V CA 1.516 63.678 62.300 -0.230 0.000 1.064 145 V CB -0.696 30.971 31.823 -0.260 0.000 0.670 145 V HN 0.399 nan 8.190 nan 0.000 0.461 146 M N -0.277 119.114 119.600 -0.347 0.000 2.156 146 M HA -0.075 4.405 4.480 0.001 0.000 0.264 146 M C 2.138 178.340 176.300 -0.164 0.000 1.067 146 M CA 1.553 56.686 55.300 -0.277 0.000 1.131 146 M CB -1.043 31.275 32.600 -0.470 0.000 1.368 146 M HN 0.323 nan 8.290 nan 0.000 0.416 147 K N -0.623 119.705 120.400 -0.120 0.000 2.032 147 K HA -0.224 4.096 4.320 0.001 0.000 0.209 147 K C 2.063 178.582 176.600 -0.135 0.000 1.048 147 K CA 1.731 57.994 56.287 -0.040 0.000 0.927 147 K CB -0.693 31.879 32.500 0.121 0.000 0.712 147 K HN 0.202 nan 8.250 nan 0.000 0.441 148 Y N 2.145 122.190 120.300 -0.426 0.000 2.081 148 Y HA -0.272 4.278 4.550 0.001 0.000 0.280 148 Y C 1.882 177.533 175.900 -0.416 0.000 1.163 148 Y CA 1.580 59.170 58.100 -0.851 0.000 1.135 148 Y CB -0.471 37.483 38.460 -0.844 0.000 0.970 148 Y HN -0.055 nan 8.280 nan 0.000 0.498 149 L N -0.460 120.584 121.223 -0.298 0.000 2.042 149 L HA -0.251 4.090 4.340 0.001 0.000 0.210 149 L C 2.654 179.349 176.870 -0.292 0.000 1.076 149 L CA 1.434 56.113 54.840 -0.268 0.000 0.749 149 L CB -0.715 41.328 42.059 -0.026 0.000 0.893 149 L HN 0.375 nan 8.230 nan 0.000 0.432 150 L N -0.348 120.735 121.223 -0.234 0.000 1.976 150 L HA -0.269 4.072 4.340 0.001 0.000 0.209 150 L C 2.682 179.424 176.870 -0.212 0.000 1.071 150 L CA 1.536 56.258 54.840 -0.197 0.000 0.746 150 L CB -0.242 41.731 42.059 -0.143 0.000 0.890 150 L HN 0.357 nan 8.230 nan 0.000 0.432 151 Q N -0.633 119.043 119.800 -0.206 0.000 2.439 151 Q HA -0.155 4.185 4.340 0.001 0.000 0.211 151 Q C 1.065 176.949 176.000 -0.193 0.000 0.978 151 Q CA 0.921 56.636 55.803 -0.147 0.000 0.897 151 Q CB 0.299 29.026 28.738 -0.019 0.000 0.956 151 Q HN 0.343 nan 8.270 nan 0.000 0.483 152 R N -0.624 119.654 120.500 -0.369 0.000 2.549 152 R HA 0.107 4.447 4.340 0.001 0.000 0.344 152 R C 1.413 177.504 176.300 -0.349 0.000 0.979 152 R CA 0.159 56.076 56.100 -0.305 0.000 1.140 152 R CB 0.245 30.228 30.300 -0.528 0.000 1.377 152 R HN 0.337 nan 8.270 nan 0.000 0.541 153 R N 0.527 120.814 120.500 -0.355 0.000 2.139 153 R HA -0.165 4.175 4.340 0.001 0.000 0.243 153 R C 1.737 177.820 176.300 -0.363 0.000 1.145 153 R CA 1.455 57.378 56.100 -0.295 0.000 0.976 153 R CB -0.446 29.708 30.300 -0.244 0.000 0.866 153 R HN 0.140 nan 8.270 nan 0.000 0.449 154 Q N 0.606 120.034 119.800 -0.620 0.000 2.291 154 Q HA -0.099 4.242 4.340 0.001 0.000 0.206 154 Q C 0.297 175.827 176.000 -0.783 0.000 0.976 154 Q CA 1.198 56.517 55.803 -0.807 0.000 0.875 154 Q CB 0.134 28.152 28.738 -1.200 0.000 0.927 154 Q HN 0.577 nan 8.270 nan 0.000 0.450 155 F N -0.240 119.664 119.950 -0.076 0.000 2.698 155 F HA 0.349 4.877 4.527 0.001 0.000 0.304 155 F C -0.387 175.390 175.800 -0.039 0.000 1.108 155 F CA -0.446 57.524 58.000 -0.050 0.000 1.263 155 F CB 0.694 39.667 39.000 -0.045 0.000 1.013 155 F HN -0.157 nan 8.300 nan 0.000 0.532 156 L N 0.664 121.895 121.223 0.014 0.000 2.385 156 L HA 0.458 4.798 4.340 0.001 0.000 0.273 156 L C 0.584 177.459 176.870 0.008 0.000 0.990 156 L CA -0.900 53.957 54.840 0.029 0.000 0.821 156 L CB 2.242 44.301 42.059 0.001 0.000 1.279 156 L HN 0.121 nan 8.230 nan 0.000 0.412 157 T N -1.913 112.664 114.554 0.038 0.000 2.715 157 T HA 0.112 4.463 4.350 0.001 0.000 0.320 157 T C 0.891 175.612 174.700 0.036 0.000 1.046 157 T CA -0.334 61.785 62.100 0.032 0.000 0.983 157 T CB 0.570 69.468 68.868 0.050 0.000 1.183 157 T HN 0.545 nan 8.240 nan 0.000 0.522 158 N N 0.472 119.196 118.700 0.041 0.000 2.251 158 N HA -0.058 4.683 4.740 0.001 0.000 0.181 158 N C 1.376 176.942 175.510 0.093 0.000 1.019 158 N CA 0.922 54.000 53.050 0.046 0.000 0.862 158 N CB -0.326 38.180 38.487 0.032 0.000 0.992 158 N HN 0.582 nan 8.380 nan 0.000 0.429 159 D N 1.396 121.875 120.400 0.132 0.000 2.178 159 D HA -0.073 4.567 4.640 0.001 0.000 0.202 159 D C 1.930 178.402 176.300 0.286 0.000 0.974 159 D CA 0.793 54.940 54.000 0.245 0.000 0.841 159 D CB -0.033 40.910 40.800 0.237 0.000 0.953 159 D HN 0.366 nan 8.370 nan 0.000 0.478 160 Q N -0.098 119.811 119.800 0.182 0.000 2.083 160 Q HA -0.012 4.329 4.340 0.001 0.000 0.198 160 Q C 2.360 178.466 176.000 0.178 0.000 0.969 160 Q CA 0.644 56.552 55.803 0.175 0.000 0.838 160 Q CB 0.096 28.912 28.738 0.129 0.000 0.900 160 Q HN 0.350 nan 8.270 nan 0.000 0.436 161 I N 0.423 121.081 120.570 0.146 0.000 2.361 161 I HA -0.268 3.903 4.170 0.001 0.000 0.251 161 I C 2.602 178.862 176.117 0.237 0.000 1.133 161 I CA 0.989 62.392 61.300 0.172 0.000 1.413 161 I CB -0.252 37.808 38.000 0.100 0.000 1.073 161 I HN 0.163 nan 8.210 nan 0.000 0.424 162 R N 0.649 121.227 120.500 0.130 0.000 2.051 162 R HA -0.146 4.195 4.340 0.001 0.000 0.225 162 R C 2.447 178.629 176.300 -0.197 0.000 1.155 162 R CA 1.667 57.736 56.100 -0.051 0.000 0.945 162 R CB -0.349 29.764 30.300 -0.312 0.000 0.840 162 R HN 0.194 nan 8.270 nan 0.000 0.432 163 Y N 0.681 121.022 120.300 0.069 0.000 2.243 163 Y HA -0.135 4.416 4.550 0.001 0.000 0.293 163 Y C 2.127 178.039 175.900 0.021 0.000 1.124 163 Y CA 0.672 58.792 58.100 0.034 0.000 1.159 163 Y CB -0.478 37.998 38.460 0.028 0.000 1.008 163 Y HN 0.134 nan 8.280 nan 0.000 0.527 164 L N 2.053 123.390 121.223 0.190 0.000 1.991 164 L HA -0.216 4.125 4.340 0.001 0.000 0.221 164 L C -0.577 176.345 176.870 0.088 0.000 1.079 164 L CA 2.279 57.193 54.840 0.123 0.000 0.778 164 L CB -1.797 40.352 42.059 0.149 0.000 0.893 164 L HN 0.040 nan 8.230 nan 0.000 0.437 165 P HA -0.211 nan 4.420 nan 0.000 0.216 165 P C 1.212 178.459 177.300 -0.089 0.000 1.150 165 P CA 1.562 64.722 63.100 0.099 0.000 0.843 165 P CB -0.191 31.632 31.700 0.206 0.000 0.787 166 Q N -0.258 119.499 119.800 -0.072 0.000 2.049 166 Q HA -0.054 4.287 4.340 0.001 0.000 0.198 166 Q C 2.477 178.470 176.000 -0.012 0.000 0.971 166 Q CA 0.854 56.594 55.803 -0.105 0.000 0.833 166 Q CB -1.345 27.400 28.738 0.013 0.000 0.896 166 Q HN 0.321 nan 8.270 nan 0.000 0.434 167 L N 0.913 122.164 121.223 0.047 0.000 2.017 167 L HA -0.175 4.166 4.340 0.001 0.000 0.208 167 L C 2.579 179.536 176.870 0.145 0.000 1.073 167 L CA 1.969 56.835 54.840 0.044 0.000 0.745 167 L CB -0.409 41.527 42.059 -0.205 0.000 0.894 167 L HN 0.426 nan 8.230 nan 0.000 0.432 168 C N -0.289 119.048 119.300 0.061 0.000 2.413 168 C HA -0.069 4.391 4.460 0.001 0.000 0.292 168 C C 2.473 177.388 174.990 -0.125 0.000 1.435 168 C CA 0.320 59.344 59.018 0.011 0.000 1.791 168 C CB -1.630 26.185 27.740 0.125 0.000 1.784 168 C HN 0.502 nan 8.230 nan 0.000 0.548 169 R N 0.010 120.457 120.500 -0.088 0.000 2.323 169 R HA 0.022 4.363 4.340 0.001 0.000 0.198 169 R C 1.791 178.023 176.300 -0.113 0.000 0.988 169 R CA 1.049 57.073 56.100 -0.127 0.000 1.041 169 R CB -0.457 29.608 30.300 -0.391 0.000 0.926 169 R HN 0.924 nan 8.270 nan 0.000 0.476 170 Y N -0.883 119.443 120.300 0.043 0.000 2.384 170 Y HA -0.138 4.413 4.550 0.001 0.000 0.289 170 Y C 1.443 177.347 175.900 0.007 0.000 1.152 170 Y CA 0.675 58.789 58.100 0.023 0.000 1.258 170 Y CB -0.681 37.789 38.460 0.016 0.000 0.979 170 Y HN -0.027 nan 8.280 nan 0.000 0.549 171 L N 0.478 121.402 121.223 -0.498 0.000 2.456 171 L HA -0.120 4.221 4.340 0.001 0.000 0.224 171 L C 2.200 179.090 176.870 0.033 0.000 1.148 171 L CA 1.107 55.780 54.840 -0.279 0.000 0.825 171 L CB -0.450 41.131 42.059 -0.797 0.000 0.937 171 L HN 0.347 nan 8.230 nan 0.000 0.450 172 E N -0.129 120.083 120.200 0.019 0.000 2.150 172 E HA -0.166 4.185 4.350 0.001 0.000 0.193 172 E C 1.652 178.345 176.600 0.154 0.000 0.985 172 E CA 0.702 57.168 56.400 0.110 0.000 0.814 172 E CB 0.114 29.859 29.700 0.075 0.000 0.752 172 E HN 0.305 nan 8.360 nan 0.000 0.466 173 L N -0.828 120.469 121.223 0.125 0.000 2.610 173 L HA -0.050 4.291 4.340 0.001 0.000 0.232 173 L C 1.207 178.101 176.870 0.040 0.000 1.149 173 L CA 0.997 55.897 54.840 0.100 0.000 0.872 173 L CB -1.091 41.031 42.059 0.105 0.000 0.992 173 L HN 0.291 nan 8.230 nan 0.000 0.447 174 W N -0.952 120.353 121.300 0.009 0.000 2.630 174 W HA 0.033 4.694 4.660 0.001 0.000 0.271 174 W C 2.509 178.954 176.519 -0.123 0.000 1.244 174 W CA 0.513 57.808 57.345 -0.083 0.000 1.353 174 W CB 0.251 29.576 29.460 -0.224 0.000 1.080 174 W HN 0.219 nan 8.180 nan 0.000 0.594 175 H N -1.700 117.576 119.070 0.343 0.000 2.729 175 H HA 0.253 4.810 4.556 0.001 0.000 0.263 175 H C 1.659 177.014 175.328 0.046 0.000 0.961 175 H CA 1.020 57.209 56.048 0.235 0.000 1.217 175 H CB 0.412 30.251 29.762 0.128 0.000 1.447 175 H HN 0.062 nan 8.280 nan 0.000 0.496 176 G N 1.536 110.432 108.800 0.161 0.000 2.256 176 G HA2 -0.202 3.758 3.960 0.001 0.000 0.272 176 G HA3 -0.202 3.758 3.960 0.001 0.000 0.272 176 G C -0.701 174.221 174.900 0.037 0.000 1.076 176 G CA 0.074 45.199 45.100 0.041 0.000 0.882 176 G HN 0.176 nan 8.290 nan 0.000 0.497 177 L N 0.380 121.666 121.223 0.105 0.000 2.526 177 L HA 0.498 4.839 4.340 0.001 0.000 0.263 177 L C -0.068 176.884 176.870 0.138 0.000 0.943 177 L CA -1.280 53.617 54.840 0.097 0.000 0.859 177 L CB 1.802 43.914 42.059 0.089 0.000 1.313 177 L HN 0.331 nan 8.230 nan 0.000 0.406 178 D N 2.488 122.979 120.400 0.151 0.000 2.400 178 D HA -0.099 4.541 4.640 0.001 0.000 0.238 178 D C 0.733 177.252 176.300 0.366 0.000 1.157 178 D CA -0.113 54.025 54.000 0.230 0.000 0.889 178 D CB 0.892 41.824 40.800 0.219 0.000 1.199 178 D HN 0.655 nan 8.370 nan 0.000 0.436 179 W N 3.870 125.271 121.300 0.168 0.000 2.632 179 W HA -0.027 4.633 4.660 0.001 0.000 0.248 179 W C 0.805 177.475 176.519 0.251 0.000 1.259 179 W CA 0.103 57.615 57.345 0.278 0.000 1.288 179 W CB -0.942 28.750 29.460 0.387 0.000 1.136 179 W HN 0.397 nan 8.180 nan 0.000 0.640 180 K N 0.170 120.752 120.400 0.303 0.000 2.354 180 K HA 0.202 4.522 4.320 0.001 0.000 0.194 180 K C 1.805 178.481 176.600 0.126 0.000 1.038 180 K CA 0.208 56.553 56.287 0.097 0.000 1.052 180 K CB 0.178 32.619 32.500 -0.097 0.000 0.861 180 K HN 0.162 nan 8.250 nan 0.000 0.535 181 L N 0.522 121.837 121.223 0.153 0.000 2.590 181 L HA 0.199 4.539 4.340 0.001 0.000 0.227 181 L C 0.295 177.245 176.870 0.133 0.000 1.099 181 L CA -0.268 54.644 54.840 0.119 0.000 0.872 181 L CB 0.141 42.252 42.059 0.086 0.000 1.088 181 L HN 0.070 nan 8.230 nan 0.000 0.479 182 L N 0.468 121.779 121.223 0.146 0.000 2.326 182 L HA 0.287 4.627 4.340 0.001 0.000 0.278 182 L C 0.627 177.538 176.870 0.069 0.000 1.092 182 L CA 0.040 54.928 54.840 0.079 0.000 0.810 182 L CB 1.461 43.537 42.059 0.028 0.000 1.153 182 L HN -0.068 nan 8.230 nan 0.000 0.439 183 S N 3.839 119.525 115.700 -0.023 0.000 2.516 183 S HA 0.336 4.806 4.470 0.001 0.000 0.282 183 S C 1.313 175.886 174.600 -0.045 0.000 1.286 183 S CA 0.015 58.178 58.200 -0.060 0.000 1.066 183 S CB 0.814 63.908 63.200 -0.177 0.000 0.884 183 S HN 0.930 nan 8.310 nan 0.000 0.491 184 A N 5.170 128.032 122.820 0.069 0.000 1.969 184 A HA -0.015 4.305 4.320 0.001 0.000 0.218 184 A C 2.087 179.608 177.584 -0.105 0.000 1.169 184 A CA 1.470 53.611 52.037 0.174 0.000 0.635 184 A CB -0.531 18.695 19.000 0.376 0.000 0.810 184 A HN 0.923 nan 8.150 nan 0.000 0.445 185 K N -0.803 119.390 120.400 -0.346 0.000 2.283 185 K HA -0.176 4.145 4.320 0.001 0.000 0.202 185 K C 1.113 177.458 176.600 -0.424 0.000 1.048 185 K CA 1.650 57.478 56.287 -0.765 0.000 0.948 185 K CB -0.073 32.099 32.500 -0.547 0.000 0.742 185 K HN 0.462 nan 8.250 nan 0.000 0.458 186 D N -1.430 118.816 120.400 -0.257 0.000 2.417 186 D HA 0.032 4.673 4.640 0.001 0.000 0.207 186 D C 1.060 177.315 176.300 -0.075 0.000 1.075 186 D CA 0.335 54.241 54.000 -0.155 0.000 0.851 186 D CB 0.502 41.214 40.800 -0.147 0.000 0.976 186 D HN 0.027 nan 8.370 nan 0.000 0.505 187 T N -0.213 114.216 114.554 -0.209 0.000 2.516 187 T HA -0.226 4.124 4.350 0.001 0.000 0.261 187 T C 0.282 174.864 174.700 -0.196 0.000 1.130 187 T CA 1.316 63.212 62.100 -0.340 0.000 1.193 187 T CB -0.598 67.930 68.868 -0.566 0.000 0.864 187 T HN 0.147 nan 8.240 nan 0.000 0.410 188 Y N 2.352 122.555 120.300 -0.162 0.000 2.436 188 Y HA 0.400 4.950 4.550 0.001 0.000 0.336 188 Y C -0.276 175.528 175.900 -0.160 0.000 1.049 188 Y CA -1.097 56.855 58.100 -0.247 0.000 1.294 188 Y CB -0.051 38.313 38.460 -0.159 0.000 1.179 188 Y HN 0.274 nan 8.280 nan 0.000 0.520 189 F N 0.216 120.047 119.950 -0.198 0.000 2.607 189 F HA 0.722 5.250 4.527 0.001 0.000 0.322 189 F C -0.041 175.525 175.800 -0.390 0.000 1.176 189 F CA -1.675 56.159 58.000 -0.276 0.000 0.977 189 F CB 0.325 39.125 39.000 -0.334 0.000 1.242 189 F HN 0.557 nan 8.300 nan 0.000 0.465 190 G N 2.011 110.709 108.800 -0.169 0.000 2.614 190 G HA2 0.347 4.308 3.960 0.001 0.000 0.239 190 G HA3 0.347 4.308 3.960 0.001 0.000 0.239 190 G C -1.196 173.597 174.900 -0.178 0.000 1.240 190 G CA -0.216 44.772 45.100 -0.186 0.000 0.842 190 G HN 0.853 nan 8.290 nan 0.000 0.584 191 H N 0.006 119.039 119.070 -0.061 0.000 2.572 191 H HA 0.252 4.809 4.556 0.001 0.000 0.359 191 H C 0.056 175.402 175.328 0.030 0.000 1.134 191 H CA -0.627 55.425 56.048 0.006 0.000 1.187 191 H CB 2.106 31.842 29.762 -0.042 0.000 1.597 191 H HN 0.367 nan 8.280 nan 0.000 0.524 192 Q N 2.153 122.098 119.800 0.241 0.000 3.047 192 Q HA 0.263 4.604 4.340 0.001 0.000 0.273 192 Q C 0.799 176.846 176.000 0.079 0.000 1.243 192 Q CA 0.164 56.043 55.803 0.126 0.000 0.929 192 Q CB -0.483 28.321 28.738 0.110 0.000 1.721 192 Q HN 0.950 nan 8.270 nan 0.000 0.471 193 G N 0.573 109.422 108.800 0.082 0.000 2.631 193 G HA2 -0.212 3.749 3.960 0.001 0.000 0.504 193 G HA3 -0.212 3.749 3.960 0.001 0.000 0.504 193 G C -0.636 174.305 174.900 0.068 0.000 1.306 193 G CA -0.998 44.138 45.100 0.060 0.000 0.897 193 G HN 0.434 nan 8.290 nan 0.000 0.520 194 R N -0.054 120.504 120.500 0.096 0.000 2.905 194 R HA 0.260 4.601 4.340 0.001 0.000 0.273 194 R C 0.376 176.721 176.300 0.075 0.000 1.033 194 R CA 0.621 56.811 56.100 0.151 0.000 1.182 194 R CB 0.018 30.501 30.300 0.305 0.000 1.097 194 R HN 0.617 nan 8.270 nan 0.000 0.504 195 N N -1.013 117.727 118.700 0.067 0.000 2.430 195 N HA 0.474 5.215 4.740 0.001 0.000 0.298 195 N C -1.451 173.977 175.510 -0.137 0.000 1.130 195 N CA -0.496 52.529 53.050 -0.041 0.000 0.894 195 N CB 2.095 40.542 38.487 -0.067 0.000 1.209 195 N HN 0.585 nan 8.380 nan 0.000 0.503 196 A N 1.215 123.872 122.820 -0.272 0.000 2.319 196 A HA 0.453 4.773 4.320 0.001 0.000 0.310 196 A C -1.292 176.357 177.584 0.109 0.000 1.152 196 A CA -0.582 51.205 52.037 -0.417 0.000 0.783 196 A CB 0.051 18.430 19.000 -1.035 0.000 1.184 196 A HN 0.669 nan 8.150 nan 0.000 0.474 197 F N 3.446 123.432 119.950 0.060 0.000 2.471 197 F HA 0.461 4.988 4.527 0.001 0.000 0.365 197 F C 0.846 176.590 175.800 -0.093 0.000 1.095 197 F CA -0.165 57.760 58.000 -0.124 0.000 1.174 197 F CB 0.609 39.545 39.000 -0.108 0.000 1.105 197 F HN 0.723 nan 8.300 nan 0.000 0.535 198 A N 7.624 130.078 122.820 -0.610 0.000 2.451 198 A HA 0.301 4.622 4.320 0.001 0.000 0.266 198 A C -0.193 177.128 177.584 -0.437 0.000 1.119 198 A CA -0.398 51.342 52.037 -0.495 0.000 0.786 198 A CB -0.231 18.140 19.000 -1.048 0.000 1.061 198 A HN 0.886 nan 8.150 nan 0.000 0.503 199 L N 3.849 124.994 121.223 -0.129 0.000 2.598 199 L HA 0.255 4.595 4.340 0.001 0.000 0.241 199 L C -0.344 176.475 176.870 -0.085 0.000 1.244 199 L CA -0.139 54.668 54.840 -0.056 0.000 1.198 199 L CB -0.813 41.262 42.059 0.027 0.000 1.448 199 L HN 0.809 nan 8.230 nan 0.000 0.406 200 N N 0.182 118.801 118.700 -0.135 0.000 4.976 200 N HA -0.150 4.590 4.740 0.001 0.000 0.294 200 N C 0.047 175.516 175.510 -0.068 0.000 0.780 200 N CA 0.163 53.166 53.050 -0.078 0.000 0.693 200 N CB -1.060 37.400 38.487 -0.046 0.000 1.699 200 N HN 0.300 nan 8.380 nan 0.000 0.666 201 Y N 1.101 121.322 120.300 -0.131 0.000 2.352 201 Y HA -0.173 4.378 4.550 0.001 0.000 0.292 201 Y C 2.287 178.161 175.900 -0.043 0.000 1.136 201 Y CA 1.632 59.664 58.100 -0.112 0.000 1.227 201 Y CB 0.349 38.710 38.460 -0.165 0.000 0.991 201 Y HN 0.464 nan 8.280 nan 0.000 0.545 202 D N -1.388 119.090 120.400 0.131 0.000 2.263 202 D HA -0.158 4.482 4.640 0.001 0.000 0.208 202 D C 1.816 178.158 176.300 0.070 0.000 0.971 202 D CA 1.370 55.425 54.000 0.091 0.000 0.867 202 D CB -0.510 40.324 40.800 0.056 0.000 0.929 202 D HN 0.171 nan 8.370 nan 0.000 0.492 203 S N -0.405 115.324 115.700 0.048 0.000 2.406 203 S HA -0.029 4.442 4.470 0.001 0.000 0.228 203 S C 2.200 176.835 174.600 0.057 0.000 1.020 203 S CA 0.499 58.718 58.200 0.031 0.000 0.965 203 S CB -0.007 63.194 63.200 0.001 0.000 0.798 203 S HN 0.192 nan 8.310 nan 0.000 0.488 204 V N 1.213 121.182 119.914 0.092 0.000 2.358 204 V HA -0.102 4.018 4.120 0.001 0.000 0.246 204 V C 2.274 178.464 176.094 0.160 0.000 1.047 204 V CA 1.299 63.678 62.300 0.131 0.000 1.035 204 V CB -0.624 31.322 31.823 0.205 0.000 0.658 204 V HN 0.313 nan 8.190 nan 0.000 0.452 205 V N -0.646 119.368 119.914 0.166 0.000 2.261 205 V HA -0.300 3.820 4.120 0.001 0.000 0.246 205 V C 2.497 178.659 176.094 0.113 0.000 1.047 205 V CA 2.133 64.523 62.300 0.151 0.000 1.015 205 V CB -0.616 31.284 31.823 0.128 0.000 0.642 205 V HN 0.483 nan 8.190 nan 0.000 0.446 206 Q N 0.049 119.895 119.800 0.076 0.000 2.045 206 Q HA -0.246 4.095 4.340 0.001 0.000 0.206 206 Q C 2.310 178.322 176.000 0.019 0.000 0.991 206 Q CA 2.383 58.207 55.803 0.034 0.000 0.851 206 Q CB -0.459 28.291 28.738 0.020 0.000 0.911 206 Q HN 0.567 nan 8.270 nan 0.000 0.418 207 R N -0.217 120.307 120.500 0.041 0.000 2.103 207 R HA -0.181 4.159 4.340 0.001 0.000 0.234 207 R C 2.227 178.560 176.300 0.056 0.000 1.132 207 R CA 2.123 58.246 56.100 0.039 0.000 0.925 207 R CB -0.620 29.717 30.300 0.061 0.000 0.842 207 R HN 0.363 nan 8.270 nan 0.000 0.430 208 I N 0.828 121.477 120.570 0.132 0.000 2.194 208 I HA -0.301 3.870 4.170 0.001 0.000 0.246 208 I C 2.586 178.796 176.117 0.155 0.000 1.093 208 I CA 1.530 62.953 61.300 0.205 0.000 1.355 208 I CB -0.514 37.667 38.000 0.300 0.000 1.046 208 I HN 0.424 nan 8.210 nan 0.000 0.413 209 A N 0.852 123.715 122.820 0.071 0.000 2.015 209 A HA -0.203 4.117 4.320 0.001 0.000 0.219 209 A C 1.950 179.158 177.584 -0.628 0.000 1.163 209 A CA 1.592 53.555 52.037 -0.123 0.000 0.646 209 A CB -0.507 18.496 19.000 0.006 0.000 0.806 209 A HN 0.629 nan 8.150 nan 0.000 0.448 210 Q N 0.006 119.595 119.800 -0.352 0.000 2.217 210 Q HA 0.220 4.561 4.340 0.001 0.000 0.226 210 Q C 0.537 176.345 176.000 -0.320 0.000 0.875 210 Q CA 0.774 56.358 55.803 -0.365 0.000 0.974 210 Q CB -0.568 28.058 28.738 -0.187 0.000 1.079 210 Q HN 0.426 nan 8.270 nan 0.000 0.463 211 S N -0.720 114.776 115.700 -0.340 0.000 2.593 211 S HA 0.465 4.936 4.470 0.001 0.000 0.236 211 S C -0.182 174.370 174.600 -0.081 0.000 0.991 211 S CA -0.783 57.356 58.200 -0.101 0.000 0.963 211 S CB -0.515 62.738 63.200 0.087 0.000 0.865 211 S HN 0.438 nan 8.310 nan 0.000 0.488 212 F N -1.484 118.315 119.950 -0.252 0.000 2.686 212 F HA 0.756 5.283 4.527 0.001 0.000 0.311 212 F C -3.139 172.279 175.800 -0.637 0.000 1.128 212 F CA -2.731 54.898 58.000 -0.618 0.000 0.946 212 F CB -0.086 38.772 39.000 -0.237 0.000 1.336 212 F HN -0.261 nan 8.300 nan 0.000 0.457 213 P HA -0.086 nan 4.420 nan 0.000 0.253 213 P C 0.325 177.495 177.300 -0.216 0.000 1.170 213 P CA 0.514 63.266 63.100 -0.581 0.000 0.806 213 P CB 0.889 31.990 31.700 -0.999 0.000 0.775 214 Q N 4.271 123.951 119.800 -0.200 0.000 2.449 214 Q HA -0.226 4.114 4.340 0.001 0.000 0.214 214 Q C 0.762 176.788 176.000 0.042 0.000 0.986 214 Q CA 2.003 57.755 55.803 -0.085 0.000 0.893 214 Q CB -0.483 28.181 28.738 -0.124 0.000 0.940 214 Q HN 0.497 nan 8.270 nan 0.000 0.477 215 N N -1.656 117.057 118.700 0.021 0.000 2.398 215 N HA -0.068 4.672 4.740 0.001 0.000 0.188 215 N C 0.541 176.202 175.510 0.251 0.000 1.122 215 N CA 0.149 53.255 53.050 0.094 0.000 0.866 215 N CB -0.144 38.372 38.487 0.048 0.000 0.970 215 N HN 0.218 nan 8.380 nan 0.000 0.462 216 W N 0.292 121.646 121.300 0.090 0.000 2.576 216 W HA 0.362 5.022 4.660 0.001 0.000 0.270 216 W C 0.173 176.709 176.519 0.028 0.000 1.255 216 W CA -0.570 56.801 57.345 0.044 0.000 1.314 216 W CB -0.510 28.972 29.460 0.037 0.000 1.101 216 W HN 0.096 nan 8.180 nan 0.000 0.595 217 L N 2.288 123.711 121.223 0.334 0.000 2.361 217 L HA 0.126 4.467 4.340 0.001 0.000 0.278 217 L C -0.058 176.879 176.870 0.111 0.000 1.113 217 L CA 0.385 55.350 54.840 0.209 0.000 0.849 217 L CB 0.400 42.598 42.059 0.231 0.000 1.155 217 L HN -0.332 nan 8.230 nan 0.000 0.452 218 K N 5.269 125.700 120.400 0.053 0.000 2.572 218 K HA 0.490 4.810 4.320 0.001 0.000 0.244 218 K C -1.235 175.377 176.600 0.019 0.000 0.965 218 K CA -0.248 56.059 56.287 0.034 0.000 0.943 218 K CB 0.356 32.858 32.500 0.002 0.000 1.154 218 K HN 0.594 nan 8.250 nan 0.000 0.447 219 L N 1.773 123.013 121.223 0.029 0.000 2.468 219 L HA 0.306 4.646 4.340 0.001 0.000 0.254 219 L C 0.480 177.353 176.870 0.004 0.000 1.171 219 L CA -0.643 54.205 54.840 0.013 0.000 0.809 219 L CB 0.826 42.900 42.059 0.024 0.000 1.155 219 L HN 0.787 nan 8.230 nan 0.000 0.473 220 S N -0.653 115.037 115.700 -0.016 0.000 3.581 220 S HA -0.211 4.260 4.470 0.001 0.000 0.354 220 S C -0.180 174.412 174.600 -0.012 0.000 1.059 220 S CA 0.355 58.546 58.200 -0.014 0.000 1.060 220 S CB -1.155 62.053 63.200 0.014 0.000 0.908 220 S HN 0.662 nan 8.310 nan 0.000 0.475 221 c N 2.233 120.812 118.600 -0.036 0.000 2.317 221 c HA 0.427 4.998 4.570 0.001 0.000 0.306 221 c C 0.437 174.495 174.090 -0.055 0.000 1.087 221 c CA -0.732 55.589 56.329 -0.014 0.000 1.529 221 c CB -0.421 42.093 42.510 0.007 0.000 1.880 221 c HN 0.658 nan 8.230 nan 0.000 0.417 222 E N 3.323 123.498 120.200 -0.041 0.000 2.259 222 E HA 0.340 4.690 4.350 0.001 0.000 0.281 222 E C -0.756 175.834 176.600 -0.017 0.000 1.037 222 E CA -0.187 56.186 56.400 -0.046 0.000 0.854 222 E CB 0.954 30.680 29.700 0.044 0.000 1.051 222 E HN 0.519 nan 8.360 nan 0.000 0.409 223 V N 6.725 126.618 119.914 -0.035 0.000 2.408 223 V HA 0.035 4.155 4.120 0.001 0.000 0.267 223 V C 1.159 177.221 176.094 -0.052 0.000 1.047 223 V CA 0.012 62.287 62.300 -0.043 0.000 0.937 223 V CB 0.910 32.690 31.823 -0.073 0.000 0.999 223 V HN 0.788 nan 8.190 nan 0.000 0.472 224 K N 3.533 123.904 120.400 -0.050 0.000 2.186 224 K HA 0.132 4.453 4.320 0.001 0.000 0.202 224 K C 0.532 177.065 176.600 -0.111 0.000 1.052 224 K CA 0.759 57.012 56.287 -0.058 0.000 0.965 224 K CB 0.324 32.803 32.500 -0.035 0.000 0.746 224 K HN 0.673 nan 8.250 nan 0.000 0.457 225 S N -0.125 115.491 115.700 -0.139 0.000 2.552 225 S HA 0.515 4.986 4.470 0.001 0.000 0.272 225 S C -0.980 173.491 174.600 -0.216 0.000 1.150 225 S CA -1.132 56.946 58.200 -0.203 0.000 0.849 225 S CB 1.039 64.164 63.200 -0.124 0.000 1.113 225 S HN 0.167 nan 8.310 nan 0.000 0.458 226 I N 1.834 122.221 120.570 -0.306 0.000 2.447 226 I HA 0.475 4.645 4.170 0.001 0.000 0.287 226 I C -0.654 175.429 176.117 -0.058 0.000 1.023 226 I CA -0.382 60.801 61.300 -0.195 0.000 1.083 226 I CB 2.304 40.146 38.000 -0.263 0.000 1.245 226 I HN 0.702 nan 8.210 nan 0.000 0.434 227 T N 4.922 119.463 114.554 -0.023 0.000 2.829 227 T HA 0.445 4.796 4.350 0.001 0.000 0.280 227 T C -0.230 174.476 174.700 0.011 0.000 0.999 227 T CA -0.751 61.355 62.100 0.009 0.000 0.983 227 T CB 1.923 70.787 68.868 -0.006 0.000 0.968 227 T HN 0.280 nan 8.240 nan 0.000 0.446 228 R N 2.659 123.173 120.500 0.023 0.000 2.215 228 R HA 0.324 4.665 4.340 0.001 0.000 0.336 228 R C -0.028 176.268 176.300 -0.006 0.000 0.996 228 R CA -0.327 55.776 56.100 0.004 0.000 0.847 228 R CB 0.362 30.671 30.300 0.015 0.000 1.127 228 R HN 0.768 nan 8.270 nan 0.000 0.465 229 E N 4.417 124.606 120.200 -0.019 0.000 2.359 229 E HA 0.245 4.596 4.350 0.001 0.000 0.255 229 E C -1.457 175.129 176.600 -0.024 0.000 1.191 229 E CA -1.683 54.705 56.400 -0.019 0.000 0.952 229 E CB 0.757 30.444 29.700 -0.022 0.000 1.152 229 E HN 0.346 nan 8.360 nan 0.000 0.496 230 P HA -0.098 nan 4.420 nan 0.000 0.217 230 P C 0.683 177.966 177.300 -0.028 0.000 1.154 230 P CA 0.953 64.041 63.100 -0.021 0.000 0.841 230 P CB 0.053 31.745 31.700 -0.014 0.000 0.790 231 S N 0.858 116.542 115.700 -0.027 0.000 3.361 231 S HA 0.070 4.541 4.470 0.001 0.000 0.246 231 S C 0.454 175.027 174.600 -0.045 0.000 1.237 231 S CA -0.352 57.830 58.200 -0.030 0.000 1.240 231 S CB -1.595 61.591 63.200 -0.022 0.000 1.154 231 S HN 0.137 nan 8.310 nan 0.000 0.461 232 K N 0.807 121.170 120.400 -0.062 0.000 3.213 232 K HA -0.182 4.139 4.320 0.001 0.000 0.266 232 K C -0.793 175.740 176.600 -0.111 0.000 0.911 232 K CA 0.668 56.894 56.287 -0.102 0.000 0.684 232 K CB -1.599 30.842 32.500 -0.097 0.000 1.402 232 K HN 0.609 nan 8.250 nan 0.000 0.465 233 N N 0.120 118.768 118.700 -0.088 0.000 2.310 233 N HA 0.316 5.056 4.740 0.001 0.000 0.292 233 N C -0.883 174.587 175.510 -0.066 0.000 1.049 233 N CA -0.602 52.404 53.050 -0.073 0.000 0.849 233 N CB 2.197 40.658 38.487 -0.043 0.000 1.532 233 N HN -0.120 nan 8.380 nan 0.000 0.479 234 V N 1.370 121.243 119.914 -0.067 0.000 2.483 234 V HA 0.496 4.617 4.120 0.001 0.000 0.295 234 V C 0.094 176.173 176.094 -0.027 0.000 1.035 234 V CA -0.381 61.889 62.300 -0.050 0.000 0.896 234 V CB 1.755 33.541 31.823 -0.062 0.000 0.986 234 V HN 0.604 nan 8.190 nan 0.000 0.447 235 T N 4.206 118.748 114.554 -0.019 0.000 2.772 235 T HA 0.564 4.914 4.350 0.001 0.000 0.288 235 T C -0.330 174.364 174.700 -0.010 0.000 0.994 235 T CA -0.380 61.716 62.100 -0.008 0.000 0.951 235 T CB 1.322 70.181 68.868 -0.015 0.000 0.933 235 T HN 0.344 nan 8.240 nan 0.000 0.447 236 V N 4.456 124.384 119.914 0.022 0.000 2.483 236 V HA 0.464 4.584 4.120 0.001 0.000 0.295 236 V C -0.175 175.949 176.094 0.051 0.000 1.035 236 V CA -1.037 61.274 62.300 0.019 0.000 0.896 236 V CB 1.487 33.327 31.823 0.028 0.000 0.986 236 V HN 0.810 nan 8.190 nan 0.000 0.447 237 N N 2.475 121.178 118.700 0.003 0.000 2.524 237 N HA 0.324 5.065 4.740 0.001 0.000 0.261 237 N C -0.758 174.757 175.510 0.009 0.000 0.998 237 N CA -0.331 52.719 53.050 -0.000 0.000 0.915 237 N CB 1.670 40.138 38.487 -0.032 0.000 1.187 237 N HN 0.553 nan 8.380 nan 0.000 0.507 238 c N 1.191 119.820 118.600 0.049 0.000 2.605 238 c HA 0.019 4.590 4.570 0.001 0.000 0.404 238 c C 2.063 176.160 174.090 0.012 0.000 1.284 238 c CA -0.301 56.052 56.329 0.039 0.000 2.199 238 c CB -0.094 42.465 42.510 0.082 0.000 2.647 238 c HN 0.742 nan 8.230 nan 0.000 0.604 239 E N 1.067 121.272 120.200 0.009 0.000 2.533 239 E HA -0.163 4.187 4.350 0.001 0.000 0.203 239 E C 0.824 177.427 176.600 0.005 0.000 1.101 239 E CA 1.435 57.838 56.400 0.005 0.000 0.894 239 E CB -0.341 29.367 29.700 0.015 0.000 0.843 239 E HN 0.755 nan 8.360 nan 0.000 0.552 240 D N -0.863 119.541 120.400 0.006 0.000 2.325 240 D HA 0.139 4.779 4.640 0.001 0.000 0.225 240 D C 1.388 177.680 176.300 -0.013 0.000 1.096 240 D CA 0.370 54.371 54.000 0.002 0.000 0.844 240 D CB 0.108 40.915 40.800 0.012 0.000 0.925 240 D HN 0.266 nan 8.370 nan 0.000 0.513 241 G N 0.537 109.323 108.800 -0.023 0.000 2.358 241 G HA2 -0.299 3.661 3.960 0.001 0.000 0.224 241 G HA3 -0.299 3.661 3.960 0.001 0.000 0.224 241 G C 0.612 175.469 174.900 -0.072 0.000 1.073 241 G CA 0.293 45.368 45.100 -0.040 0.000 0.635 241 G HN 0.862 nan 8.290 nan 0.000 0.509 242 T N -0.037 114.464 114.554 -0.088 0.000 2.908 242 T HA 0.480 4.831 4.350 0.001 0.000 0.301 242 T C 0.088 174.637 174.700 -0.252 0.000 1.019 242 T CA 0.360 62.349 62.100 -0.186 0.000 1.152 242 T CB 1.870 70.626 68.868 -0.186 0.000 0.966 242 T HN 1.096 nan 8.240 nan 0.000 0.540 243 V N 4.188 123.886 119.914 -0.360 0.000 2.680 243 V HA 0.551 4.672 4.120 0.001 0.000 0.309 243 V C -0.992 174.832 176.094 -0.450 0.000 1.052 243 V CA -1.051 61.076 62.300 -0.289 0.000 0.908 243 V CB 1.587 33.324 31.823 -0.143 0.000 1.001 243 V HN 0.946 nan 8.190 nan 0.000 0.431 244 Y N 1.977 122.253 120.300 -0.041 0.000 2.562 244 Y HA 0.591 5.141 4.550 0.001 0.000 0.343 244 Y C 0.109 175.981 175.900 -0.047 0.000 1.025 244 Y CA -0.827 57.247 58.100 -0.043 0.000 1.082 244 Y CB 2.020 40.448 38.460 -0.053 0.000 1.264 244 Y HN 0.612 nan 8.280 nan 0.000 0.478 245 N N 0.671 119.448 118.700 0.128 0.000 2.371 245 N HA 0.778 5.518 4.740 0.001 0.000 0.291 245 N C -1.671 173.857 175.510 0.031 0.000 1.053 245 N CA -0.276 52.802 53.050 0.047 0.000 0.870 245 N CB 1.492 39.990 38.487 0.018 0.000 1.503 245 N HN 0.817 nan 8.380 nan 0.000 0.485 246 A N 1.778 124.596 122.820 -0.004 0.000 2.569 246 A HA 0.489 4.810 4.320 0.001 0.000 0.290 246 A C -0.166 177.393 177.584 -0.042 0.000 1.136 246 A CA -0.554 51.470 52.037 -0.022 0.000 0.710 246 A CB 0.804 19.775 19.000 -0.048 0.000 1.303 246 A HN 0.582 nan 8.150 nan 0.000 0.413 247 D N -0.409 119.978 120.400 -0.021 0.000 2.077 247 D HA 0.041 4.682 4.640 0.001 0.000 0.197 247 D C -0.213 175.970 176.300 -0.195 0.000 0.983 247 D CA 2.164 56.124 54.000 -0.066 0.000 0.841 247 D CB -0.266 40.599 40.800 0.109 0.000 0.992 247 D HN 0.494 nan 8.370 nan 0.000 0.450 248 Y N -0.845 119.414 120.300 -0.068 0.000 2.487 248 Y HA 0.527 5.077 4.550 0.001 0.000 0.337 248 Y C -0.108 175.730 175.900 -0.103 0.000 1.076 248 Y CA -0.995 57.060 58.100 -0.076 0.000 1.115 248 Y CB 2.063 40.479 38.460 -0.074 0.000 1.235 248 Y HN -0.352 nan 8.280 nan 0.000 0.468 249 V N 4.188 124.129 119.914 0.046 0.000 2.482 249 V HA 0.370 4.490 4.120 0.001 0.000 0.295 249 V C -0.609 175.438 176.094 -0.078 0.000 1.026 249 V CA -0.836 61.436 62.300 -0.046 0.000 0.856 249 V CB 1.537 33.318 31.823 -0.069 0.000 1.001 249 V HN 0.570 nan 8.190 nan 0.000 0.424 250 I N 6.233 126.744 120.570 -0.097 0.000 2.306 250 I HA 0.414 4.585 4.170 0.001 0.000 0.288 250 I C -0.258 175.796 176.117 -0.105 0.000 1.036 250 I CA -0.200 61.038 61.300 -0.103 0.000 1.221 250 I CB 1.035 38.981 38.000 -0.090 0.000 1.385 250 I HN 0.440 nan 8.210 nan 0.000 0.472 251 I N 5.889 126.370 120.570 -0.148 0.000 2.352 251 I HA 0.114 4.284 4.170 0.001 0.000 0.290 251 I C 1.208 177.379 176.117 0.090 0.000 1.036 251 I CA 0.108 61.370 61.300 -0.062 0.000 1.336 251 I CB 1.226 39.136 38.000 -0.151 0.000 1.407 251 I HN 0.612 nan 8.210 nan 0.000 0.497 252 T N 2.634 117.253 114.554 0.109 0.000 3.145 252 T HA 0.170 4.521 4.350 0.001 0.000 0.281 252 T C 0.340 175.170 174.700 0.217 0.000 1.003 252 T CA -0.347 61.856 62.100 0.173 0.000 0.901 252 T CB -0.306 68.624 68.868 0.102 0.000 1.112 252 T HN 0.364 nan 8.240 nan 0.000 0.535 253 V N 0.149 120.180 119.914 0.196 0.000 2.999 253 V HA 0.432 4.552 4.120 0.001 0.000 0.307 253 V C -2.643 173.547 176.094 0.160 0.000 1.084 253 V CA -1.789 60.609 62.300 0.163 0.000 1.155 253 V CB -0.301 31.607 31.823 0.142 0.000 0.975 253 V HN 0.077 nan 8.190 nan 0.000 0.490 254 P HA 0.060 nan 4.420 nan 0.000 0.267 254 P C 0.695 177.811 177.300 -0.307 0.000 1.200 254 P CA 0.192 63.250 63.100 -0.071 0.000 0.772 254 P CB 0.413 32.112 31.700 -0.002 0.000 0.855 255 Q N 2.685 122.088 119.800 -0.661 0.000 2.133 255 Q HA -0.269 4.072 4.340 0.001 0.000 0.208 255 Q C 1.686 177.487 176.000 -0.331 0.000 0.991 255 Q CA 2.707 58.213 55.803 -0.496 0.000 0.867 255 Q CB -0.391 28.123 28.738 -0.373 0.000 0.911 255 Q HN 0.578 nan 8.270 nan 0.000 0.417 256 S N -0.925 114.291 115.700 -0.807 0.000 2.399 256 S HA -0.122 4.349 4.470 0.001 0.000 0.231 256 S C 1.904 176.329 174.600 -0.291 0.000 1.022 256 S CA 1.323 59.144 58.200 -0.631 0.000 0.983 256 S CB -0.562 62.094 63.200 -0.907 0.000 0.803 256 S HN 0.263 nan 8.310 nan 0.000 0.480 257 V N 1.742 121.531 119.914 -0.208 0.000 2.239 257 V HA -0.044 4.076 4.120 0.001 0.000 0.242 257 V C 2.447 178.521 176.094 -0.033 0.000 1.038 257 V CA 1.538 63.798 62.300 -0.068 0.000 1.002 257 V CB -0.944 30.893 31.823 0.024 0.000 0.641 257 V HN 0.446 nan 8.190 nan 0.000 0.449 258 L N 1.147 122.396 121.223 0.043 0.000 2.064 258 L HA -0.301 4.040 4.340 0.001 0.000 0.216 258 L C 2.198 179.030 176.870 -0.064 0.000 1.077 258 L CA 2.463 57.402 54.840 0.164 0.000 0.766 258 L CB -1.272 41.002 42.059 0.359 0.000 0.890 258 L HN 0.502 nan 8.230 nan 0.000 0.435 259 N N -0.920 117.605 118.700 -0.292 0.000 2.258 259 N HA -0.223 4.518 4.740 0.001 0.000 0.187 259 N C 1.858 177.069 175.510 -0.497 0.000 1.012 259 N CA 1.028 53.548 53.050 -0.884 0.000 0.870 259 N CB -0.101 38.055 38.487 -0.551 0.000 0.977 259 N HN 0.479 nan 8.380 nan 0.000 0.434 260 L N 0.113 121.194 121.223 -0.237 0.000 2.191 260 L HA -0.088 4.253 4.340 0.001 0.000 0.212 260 L C 2.102 178.912 176.870 -0.100 0.000 1.103 260 L CA 0.550 55.305 54.840 -0.142 0.000 0.769 260 L CB -0.353 41.660 42.059 -0.076 0.000 0.908 260 L HN 0.106 nan 8.230 nan 0.000 0.438 261 S N -0.211 115.459 115.700 -0.050 0.000 2.559 261 S HA -0.081 4.389 4.470 0.001 0.000 0.250 261 S C 0.928 175.535 174.600 0.012 0.000 0.977 261 S CA 1.082 59.328 58.200 0.077 0.000 0.958 261 S CB -0.382 63.012 63.200 0.323 0.000 0.751 261 S HN 0.417 nan 8.310 nan 0.000 0.534 262 V N -1.058 118.795 119.914 -0.102 0.000 2.575 262 V HA 0.541 4.662 4.120 0.001 0.000 0.281 262 V C -0.665 175.375 176.094 -0.090 0.000 1.087 262 V CA -0.678 61.569 62.300 -0.089 0.000 1.193 262 V CB -0.106 31.640 31.823 -0.129 0.000 1.426 262 V HN 0.134 nan 8.190 nan 0.000 0.623 263 Q N 1.254 121.016 119.800 -0.063 0.000 2.687 263 Q HA 0.608 4.949 4.340 0.001 0.000 0.305 263 Q C -2.774 173.206 176.000 -0.033 0.000 1.006 263 Q CA -1.927 53.843 55.803 -0.054 0.000 0.763 263 Q CB 2.545 31.242 28.738 -0.068 0.000 1.506 263 Q HN 0.410 nan 8.270 nan 0.000 0.459 264 P HA 0.003 nan 4.420 nan 0.000 0.269 264 P C -0.470 176.819 177.300 -0.018 0.000 1.209 264 P CA 0.466 63.555 63.100 -0.019 0.000 0.776 264 P CB 0.902 32.592 31.700 -0.018 0.000 0.876 265 E N 0.727 120.918 120.200 -0.013 0.000 3.335 265 E HA -0.260 4.091 4.350 0.001 0.000 0.245 265 E C 0.372 176.964 176.600 -0.013 0.000 1.424 265 E CA 1.404 57.796 56.400 -0.013 0.000 2.044 265 E CB -1.379 28.313 29.700 -0.015 0.000 2.060 265 E HN 0.815 nan 8.360 nan 0.000 0.514 266 K N -0.622 119.770 120.400 -0.014 0.000 2.524 266 K HA 0.107 4.428 4.320 0.001 0.000 0.181 266 K C 0.870 177.461 176.600 -0.016 0.000 1.665 266 K CA 0.247 56.525 56.287 -0.015 0.000 1.037 266 K CB -0.321 32.172 32.500 -0.013 0.000 1.476 266 K HN 0.260 nan 8.250 nan 0.000 0.583 267 N N 2.670 121.360 118.700 -0.016 0.000 2.053 267 N HA -0.048 4.693 4.740 0.001 0.000 0.187 267 N C 0.291 175.791 175.510 -0.017 0.000 1.089 267 N CA 1.360 54.402 53.050 -0.014 0.000 0.888 267 N CB -0.255 38.223 38.487 -0.015 0.000 1.047 267 N HN 0.273 nan 8.380 nan 0.000 0.434 268 L N 1.381 122.590 121.223 -0.024 0.000 4.551 268 L HA -0.225 4.115 4.340 0.001 0.000 0.576 268 L C 0.578 177.430 176.870 -0.030 0.000 0.999 268 L CA 0.056 54.876 54.840 -0.033 0.000 0.604 268 L CB -0.556 41.480 42.059 -0.038 0.000 0.424 268 L HN 0.451 nan 8.230 nan 0.000 1.115 269 R N 2.921 123.393 120.500 -0.047 0.000 2.504 269 R HA 0.146 4.486 4.340 0.001 0.000 0.291 269 R C 1.374 177.660 176.300 -0.022 0.000 0.974 269 R CA 1.369 57.443 56.100 -0.043 0.000 1.077 269 R CB 0.152 30.372 30.300 -0.132 0.000 0.926 269 R HN 0.858 nan 8.270 nan 0.000 0.407 270 G N 3.438 112.310 108.800 0.121 0.000 2.345 270 G HA2 -0.324 3.637 3.960 0.001 0.000 0.218 270 G HA3 -0.324 3.637 3.960 0.001 0.000 0.218 270 G C 0.168 175.121 174.900 0.089 0.000 1.058 270 G CA 0.097 45.316 45.100 0.200 0.000 0.632 270 G HN 0.673 nan 8.290 nan 0.000 0.508 271 R N 1.303 121.821 120.500 0.031 0.000 2.537 271 R HA 0.328 4.669 4.340 0.001 0.000 0.281 271 R C -0.250 176.037 176.300 -0.022 0.000 0.988 271 R CA 0.416 56.518 56.100 0.004 0.000 1.077 271 R CB -0.149 30.143 30.300 -0.013 0.000 0.932 271 R HN 0.376 nan 8.270 nan 0.000 0.409 272 I N 3.579 124.119 120.570 -0.049 0.000 2.362 272 I HA 0.136 4.307 4.170 0.001 0.000 0.289 272 I C -0.315 175.658 176.117 -0.240 0.000 0.994 272 I CA -0.822 60.359 61.300 -0.199 0.000 1.158 272 I CB 1.796 39.578 38.000 -0.363 0.000 1.315 272 I HN 0.586 nan 8.210 nan 0.000 0.451 273 E N 6.204 126.280 120.200 -0.208 0.000 2.180 273 E HA 0.312 4.663 4.350 0.001 0.000 0.283 273 E C -1.434 175.049 176.600 -0.194 0.000 1.061 273 E CA 0.023 56.358 56.400 -0.108 0.000 0.861 273 E CB 0.420 30.085 29.700 -0.059 0.000 1.056 273 E HN 0.221 nan 8.360 nan 0.000 0.407 274 F N 3.282 123.242 119.950 0.016 0.000 2.399 274 F HA 0.379 4.907 4.527 0.001 0.000 0.334 274 F C 0.324 176.132 175.800 0.014 0.000 1.097 274 F CA -0.481 57.532 58.000 0.021 0.000 1.076 274 F CB 1.568 40.596 39.000 0.048 0.000 1.162 274 F HN 0.295 nan 8.300 nan 0.000 0.495 275 Q N 5.574 125.493 119.800 0.199 0.000 2.337 275 Q HA 0.372 4.712 4.340 0.001 0.000 0.260 275 Q C -2.784 173.276 176.000 0.101 0.000 0.982 275 Q CA -2.570 53.301 55.803 0.112 0.000 0.734 275 Q CB 1.902 30.671 28.738 0.051 0.000 1.272 275 Q HN 0.138 nan 8.270 nan 0.000 0.461 276 P HA 0.281 nan 4.420 nan 0.000 0.275 276 P C -2.477 174.894 177.300 0.118 0.000 1.266 276 P CA -1.178 61.970 63.100 0.081 0.000 0.793 276 P CB 0.060 31.790 31.700 0.050 0.000 1.074 277 P HA 0.047 nan 4.420 nan 0.000 0.271 277 P C -0.055 177.269 177.300 0.041 0.000 1.238 277 P CA 0.202 63.363 63.100 0.102 0.000 0.794 277 P CB 0.452 32.192 31.700 0.066 0.000 0.959 278 L N 1.128 122.343 121.223 -0.014 0.000 2.410 278 L HA 0.113 4.454 4.340 0.001 0.000 0.273 278 L C 1.614 178.471 176.870 -0.022 0.000 1.152 278 L CA -0.486 54.304 54.840 -0.083 0.000 0.855 278 L CB -0.213 41.762 42.059 -0.140 0.000 1.129 278 L HN 0.456 nan 8.230 nan 0.000 0.463 279 K N 4.167 124.555 120.400 -0.020 0.000 2.457 279 K HA -0.024 4.297 4.320 0.001 0.000 0.269 279 K C -1.870 174.726 176.600 -0.006 0.000 0.969 279 K CA -0.902 55.380 56.287 -0.009 0.000 0.921 279 K CB -0.017 32.476 32.500 -0.011 0.000 0.940 279 K HN 0.342 nan 8.250 nan 0.000 0.517 280 P HA -0.171 nan 4.420 nan 0.000 0.217 280 P C 1.666 178.963 177.300 -0.005 0.000 1.150 280 P CA 0.852 63.954 63.100 0.003 0.000 0.832 280 P CB 0.004 31.706 31.700 0.003 0.000 0.787 281 V N 0.079 119.980 119.914 -0.021 0.000 2.407 281 V HA -0.188 3.933 4.120 0.001 0.000 0.248 281 V C 2.408 178.462 176.094 -0.066 0.000 1.055 281 V CA 1.479 63.755 62.300 -0.039 0.000 1.049 281 V CB -1.011 30.785 31.823 -0.046 0.000 0.662 281 V HN -0.120 nan 8.190 nan 0.000 0.455 282 I N 0.007 120.534 120.570 -0.072 0.000 2.133 282 I HA -0.242 3.928 4.170 0.001 0.000 0.238 282 I C 2.648 178.770 176.117 0.008 0.000 1.074 282 I CA 1.944 63.176 61.300 -0.112 0.000 1.342 282 I CB -1.566 36.372 38.000 -0.104 0.000 1.053 282 I HN 0.422 nan 8.210 nan 0.000 0.404 283 Q N 0.350 120.218 119.800 0.113 0.000 2.234 283 Q HA -0.243 4.097 4.340 0.001 0.000 0.206 283 Q C 1.712 177.812 176.000 0.167 0.000 0.980 283 Q CA 1.630 57.565 55.803 0.221 0.000 0.869 283 Q CB -0.186 28.609 28.738 0.094 0.000 0.912 283 Q HN 0.523 nan 8.270 nan 0.000 0.436 284 D N 0.569 121.003 120.400 0.058 0.000 2.117 284 D HA -0.093 4.548 4.640 0.001 0.000 0.198 284 D C 1.805 178.104 176.300 -0.002 0.000 0.982 284 D CA 1.282 55.297 54.000 0.025 0.000 0.828 284 D CB -0.236 40.564 40.800 -0.000 0.000 0.967 284 D HN 0.255 nan 8.370 nan 0.000 0.464 285 A N 0.122 122.896 122.820 -0.078 0.000 1.948 285 A HA -0.206 4.115 4.320 0.001 0.000 0.220 285 A C 1.885 179.341 177.584 -0.213 0.000 1.177 285 A CA 1.136 53.065 52.037 -0.181 0.000 0.636 285 A CB -1.172 17.634 19.000 -0.323 0.000 0.815 285 A HN 0.254 nan 8.150 nan 0.000 0.449 286 F N 0.378 120.270 119.950 -0.097 0.000 2.546 286 F HA -0.114 4.414 4.527 0.001 0.000 0.298 286 F C 1.684 177.354 175.800 -0.217 0.000 1.120 286 F CA 1.166 59.083 58.000 -0.139 0.000 1.456 286 F CB 0.004 38.931 39.000 -0.122 0.000 1.088 286 F HN 0.257 nan 8.300 nan 0.000 0.572 287 D N -0.401 119.990 120.400 -0.016 0.000 2.333 287 D HA -0.064 4.576 4.640 0.001 0.000 0.208 287 D C 1.645 177.858 176.300 -0.145 0.000 0.984 287 D CA 0.765 54.704 54.000 -0.102 0.000 0.873 287 D CB 0.023 40.812 40.800 -0.018 0.000 0.935 287 D HN 0.136 nan 8.370 nan 0.000 0.521 288 K N 0.820 121.200 120.400 -0.032 0.000 2.514 288 K HA 0.232 4.553 4.320 0.001 0.000 0.207 288 K C -0.395 176.417 176.600 0.354 0.000 1.035 288 K CA -0.175 56.261 56.287 0.248 0.000 1.113 288 K CB -0.236 32.365 32.500 0.169 0.000 0.846 288 K HN 0.145 nan 8.250 nan 0.000 0.491 289 I N -2.563 117.989 120.570 -0.030 0.000 2.667 289 I HA 0.431 4.602 4.170 0.001 0.000 0.288 289 I C -0.735 175.289 176.117 -0.156 0.000 1.267 289 I CA -0.878 60.485 61.300 0.105 0.000 1.055 289 I CB 1.385 39.429 38.000 0.072 0.000 1.294 289 I HN -0.145 nan 8.210 nan 0.000 0.429 290 H N 3.749 122.872 119.070 0.087 0.000 3.209 290 H HA 0.617 5.174 4.556 0.001 0.000 0.225 290 H C -1.534 173.966 175.328 0.286 0.000 1.599 290 H CA -0.551 55.545 56.048 0.080 0.000 1.691 290 H CB 1.751 31.532 29.762 0.031 0.000 1.473 290 H HN 0.589 nan 8.280 nan 0.000 0.981 291 F N -0.534 119.535 119.950 0.198 0.000 2.581 291 F HA 0.431 4.959 4.527 0.001 0.000 0.311 291 F C 0.386 176.183 175.800 -0.004 0.000 1.113 291 F CA -0.505 57.539 58.000 0.074 0.000 0.935 291 F CB 1.692 40.721 39.000 0.049 0.000 1.232 291 F HN 0.502 nan 8.300 nan 0.000 0.445 292 G N 1.273 109.883 108.800 -0.317 0.000 2.547 292 G HA2 0.558 4.519 3.960 0.001 0.000 0.291 292 G HA3 0.558 4.519 3.960 0.001 0.000 0.291 292 G C -1.060 173.662 174.900 -0.296 0.000 1.211 292 G CA -0.282 44.638 45.100 -0.299 0.000 0.950 292 G HN 0.989 nan 8.290 nan 0.000 0.504 293 A N 0.221 122.924 122.820 -0.194 0.000 3.129 293 A HA 0.486 4.807 4.320 0.001 0.000 0.282 293 A C -0.172 177.368 177.584 -0.074 0.000 0.948 293 A CA -0.452 51.524 52.037 -0.102 0.000 1.027 293 A CB -0.088 18.899 19.000 -0.022 0.000 1.123 293 A HN 0.599 nan 8.150 nan 0.000 0.485 294 L N 1.309 122.439 121.223 -0.155 0.000 2.499 294 L HA 0.525 4.866 4.340 0.001 0.000 0.273 294 L C 0.626 177.547 176.870 0.085 0.000 1.195 294 L CA 1.003 55.839 54.840 -0.006 0.000 0.882 294 L CB 0.652 42.747 42.059 0.059 0.000 1.133 294 L HN 0.422 nan 8.230 nan 0.000 0.483 295 G N 4.236 113.104 108.800 0.114 0.000 2.714 295 G HA2 0.668 4.628 3.960 0.001 0.000 0.292 295 G HA3 0.668 4.628 3.960 0.001 0.000 0.292 295 G C -1.474 173.494 174.900 0.112 0.000 1.308 295 G CA -0.762 44.430 45.100 0.154 0.000 0.964 295 G HN 0.543 nan 8.290 nan 0.000 0.484 296 K N -0.727 119.721 120.400 0.080 0.000 2.469 296 K HA 0.630 4.951 4.320 0.001 0.000 0.254 296 K C -1.623 174.899 176.600 -0.130 0.000 0.939 296 K CA -0.781 55.500 56.287 -0.010 0.000 0.812 296 K CB 3.143 35.663 32.500 0.033 0.000 1.301 296 K HN 0.254 nan 8.250 nan 0.000 0.433 297 V N 3.611 123.379 119.914 -0.244 0.000 2.482 297 V HA 0.352 4.472 4.120 0.001 0.000 0.295 297 V C -0.712 175.053 176.094 -0.549 0.000 1.026 297 V CA -0.928 61.090 62.300 -0.469 0.000 0.856 297 V CB 1.507 32.925 31.823 -0.675 0.000 1.001 297 V HN 0.612 nan 8.190 nan 0.000 0.424 298 I N 4.758 124.980 120.570 -0.579 0.000 2.353 298 I HA 0.461 4.632 4.170 0.001 0.000 0.293 298 I C -0.523 175.200 176.117 -0.656 0.000 0.992 298 I CA -0.429 60.551 61.300 -0.533 0.000 1.268 298 I CB 0.958 38.547 38.000 -0.686 0.000 1.387 298 I HN 0.417 nan 8.210 nan 0.000 0.478 299 F N 4.219 124.054 119.950 -0.192 0.000 2.347 299 F HA 0.335 4.863 4.527 0.001 0.000 0.366 299 F C 0.704 176.304 175.800 -0.332 0.000 1.107 299 F CA -0.623 57.206 58.000 -0.284 0.000 1.058 299 F CB 0.939 39.812 39.000 -0.212 0.000 1.236 299 F HN 0.388 nan 8.300 nan 0.000 0.456 300 E N 4.256 124.311 120.200 -0.241 0.000 2.089 300 E HA 0.268 4.619 4.350 0.001 0.000 0.284 300 E C -0.877 175.574 176.600 -0.247 0.000 1.023 300 E CA -0.369 55.975 56.400 -0.092 0.000 0.819 300 E CB 0.935 30.638 29.700 0.005 0.000 1.076 300 E HN 0.334 nan 8.360 nan 0.000 0.396 301 F N 1.136 121.152 119.950 0.111 0.000 2.408 301 F HA 0.094 4.622 4.527 0.001 0.000 0.325 301 F C 1.819 177.706 175.800 0.146 0.000 1.082 301 F CA -0.625 57.436 58.000 0.102 0.000 1.032 301 F CB 0.852 39.979 39.000 0.211 0.000 1.259 301 F HN 0.400 nan 8.300 nan 0.000 0.503 302 E N 1.028 121.400 120.200 0.287 0.000 2.058 302 E HA -0.159 4.192 4.350 0.001 0.000 0.194 302 E C -0.446 176.301 176.600 0.244 0.000 0.997 302 E CA 1.717 58.280 56.400 0.271 0.000 0.801 302 E CB 0.026 29.831 29.700 0.175 0.000 0.746 302 E HN 0.686 nan 8.360 nan 0.000 0.450 303 E N -2.343 117.964 120.200 0.178 0.000 2.401 303 E HA 0.226 4.577 4.350 0.001 0.000 0.280 303 E C -1.343 175.139 176.600 -0.197 0.000 1.039 303 E CA -0.749 55.669 56.400 0.030 0.000 0.814 303 E CB 0.334 30.026 29.700 -0.014 0.000 1.275 303 E HN 0.094 nan 8.360 nan 0.000 0.448 304 C N 1.776 120.801 119.300 -0.458 0.000 2.648 304 C HA 0.451 4.912 4.460 0.001 0.000 0.419 304 C C 1.094 175.518 174.990 -0.944 0.000 1.352 304 C CA 0.334 58.606 59.018 -1.242 0.000 1.816 304 C CB -1.307 25.855 27.740 -0.963 0.000 2.598 304 C HN 0.788 nan 8.230 nan 0.000 0.598 305 C N 4.936 123.584 119.300 -1.088 0.000 3.395 305 C HA 0.592 5.053 4.460 0.001 0.000 0.264 305 C C -0.634 174.242 174.990 -0.189 0.000 2.141 305 C CA -0.757 58.016 59.018 -0.408 0.000 1.689 305 C CB -2.097 25.554 27.740 -0.148 0.000 3.416 305 C HN 1.004 nan 8.230 nan 0.000 0.432 306 W N -0.261 120.991 121.300 -0.080 0.000 2.975 306 W HA 0.754 5.415 4.660 0.001 0.000 0.342 306 W C -0.235 176.262 176.519 -0.036 0.000 1.168 306 W CA -1.136 56.169 57.345 -0.065 0.000 1.141 306 W CB 0.242 29.650 29.460 -0.088 0.000 1.445 306 W HN 0.110 nan 8.180 nan 0.000 0.560 307 S N 1.661 117.494 115.700 0.221 0.000 2.516 307 S HA 0.091 4.561 4.470 0.001 0.000 0.282 307 S C 0.037 174.762 174.600 0.210 0.000 1.286 307 S CA -0.184 58.095 58.200 0.130 0.000 1.066 307 S CB -0.089 63.166 63.200 0.092 0.000 0.884 307 S HN 0.484 nan 8.310 nan 0.000 0.491 308 N N 4.262 123.027 118.700 0.108 0.000 3.209 308 N HA 0.102 4.843 4.740 0.001 0.000 0.309 308 N C 0.971 176.514 175.510 0.055 0.000 1.384 308 N CA -0.066 53.054 53.050 0.117 0.000 1.173 308 N CB 0.495 39.018 38.487 0.060 0.000 1.460 308 N HN 0.812 nan 8.380 nan 0.000 0.534 309 E N -0.104 120.124 120.200 0.047 0.000 2.015 309 E HA -0.063 4.288 4.350 0.001 0.000 0.191 309 E C 0.049 176.640 176.600 -0.014 0.000 0.991 309 E CA 0.740 57.146 56.400 0.010 0.000 0.802 309 E CB 0.303 30.007 29.700 0.005 0.000 0.759 309 E HN 0.175 nan 8.360 nan 0.000 0.447 310 S N -1.556 114.123 115.700 -0.036 0.000 2.599 310 S HA 0.230 4.701 4.470 0.001 0.000 0.294 310 S C 0.137 174.670 174.600 -0.111 0.000 1.094 310 S CA -0.233 57.918 58.200 -0.082 0.000 0.931 310 S CB 1.778 64.904 63.200 -0.124 0.000 1.093 310 S HN 0.188 nan 8.310 nan 0.000 0.488 311 S N 1.871 117.487 115.700 -0.140 0.000 2.557 311 S HA 0.395 4.865 4.470 0.001 0.000 0.223 311 S C -0.273 174.174 174.600 -0.255 0.000 0.969 311 S CA -0.361 57.743 58.200 -0.160 0.000 0.927 311 S CB -0.137 62.998 63.200 -0.110 0.000 0.806 311 S HN 0.471 nan 8.310 nan 0.000 0.489 312 K N 1.753 121.941 120.400 -0.354 0.000 2.604 312 K HA 0.528 4.849 4.320 0.001 0.000 0.247 312 K C -1.349 174.983 176.600 -0.446 0.000 0.956 312 K CA -0.149 55.816 56.287 -0.536 0.000 0.896 312 K CB 1.584 33.327 32.500 -1.262 0.000 1.131 312 K HN 0.328 nan 8.250 nan 0.000 0.440 313 I N 2.153 122.593 120.570 -0.218 0.000 2.498 313 I HA 0.406 4.576 4.170 0.001 0.000 0.290 313 I C -0.442 175.777 176.117 0.170 0.000 1.032 313 I CA -1.307 59.929 61.300 -0.106 0.000 1.073 313 I CB 2.256 40.133 38.000 -0.206 0.000 1.251 313 I HN 0.015 nan 8.210 nan 0.000 0.426 314 V N 3.712 123.714 119.914 0.146 0.000 2.540 314 V HA 0.462 4.583 4.120 0.001 0.000 0.302 314 V C 0.045 176.324 176.094 0.309 0.000 1.035 314 V CA -0.578 61.910 62.300 0.315 0.000 0.873 314 V CB 2.192 34.170 31.823 0.258 0.000 0.992 314 V HN 0.850 nan 8.190 nan 0.000 0.428 315 T N 3.096 117.876 114.554 0.377 0.000 2.795 315 T HA 0.753 5.103 4.350 0.001 0.000 0.282 315 T C -0.660 174.279 174.700 0.400 0.000 0.980 315 T CA -0.645 61.672 62.100 0.362 0.000 1.012 315 T CB 1.175 70.186 68.868 0.238 0.000 0.936 315 T HN 0.166 nan 8.240 nan 0.000 0.457 316 L N 2.760 124.253 121.223 0.449 0.000 2.375 316 L HA 0.654 4.995 4.340 0.001 0.000 0.271 316 L C 1.015 178.129 176.870 0.406 0.000 1.107 316 L CA -0.417 54.646 54.840 0.371 0.000 0.806 316 L CB 0.381 42.639 42.059 0.331 0.000 1.146 316 L HN 1.021 nan 8.230 nan 0.000 0.447 317 A N 2.527 125.506 122.820 0.265 0.000 2.366 317 A HA 0.257 4.577 4.320 0.001 0.000 0.250 317 A C 0.340 178.043 177.584 0.199 0.000 1.099 317 A CA -0.436 51.755 52.037 0.258 0.000 0.794 317 A CB -0.088 18.986 19.000 0.124 0.000 1.056 317 A HN 0.775 nan 8.150 nan 0.000 0.499 318 N N 0.101 118.890 118.700 0.149 0.000 2.453 318 N HA 0.313 5.054 4.740 0.001 0.000 0.253 318 N C 0.103 175.607 175.510 -0.010 0.000 1.252 318 N CA 0.723 53.787 53.050 0.022 0.000 0.917 318 N CB 0.887 39.364 38.487 -0.017 0.000 1.117 318 N HN 0.769 nan 8.380 nan 0.000 0.442 319 S N -1.205 114.452 115.700 -0.071 0.000 2.704 319 S HA 0.791 5.261 4.470 0.001 0.000 0.296 319 S C -0.282 174.254 174.600 -0.108 0.000 1.138 319 S CA -0.823 57.294 58.200 -0.139 0.000 0.875 319 S CB 1.858 64.874 63.200 -0.307 0.000 1.151 319 S HN 0.627 nan 8.310 nan 0.000 0.500 320 T N -1.559 112.956 114.554 -0.064 0.000 2.883 320 T HA 0.512 4.863 4.350 0.001 0.000 0.301 320 T C -0.167 174.562 174.700 0.048 0.000 1.158 320 T CA -0.930 61.170 62.100 -0.000 0.000 1.007 320 T CB 1.294 70.190 68.868 0.046 0.000 1.186 320 T HN 0.416 nan 8.240 nan 0.000 0.499 321 N N 0.617 119.335 118.700 0.030 0.000 2.416 321 N HA -0.030 4.710 4.740 0.001 0.000 0.177 321 N C 1.725 177.261 175.510 0.043 0.000 1.036 321 N CA 1.067 54.139 53.050 0.035 0.000 0.901 321 N CB -0.077 38.420 38.487 0.015 0.000 0.976 321 N HN 0.947 nan 8.380 nan 0.000 0.444 322 E N 0.350 120.582 120.200 0.054 0.000 2.204 322 E HA -0.190 4.160 4.350 0.001 0.000 0.195 322 E C 1.680 178.309 176.600 0.049 0.000 0.990 322 E CA 0.649 57.073 56.400 0.039 0.000 0.821 322 E CB -0.444 29.283 29.700 0.045 0.000 0.750 322 E HN 0.289 nan 8.360 nan 0.000 0.477 323 F N 1.530 121.472 119.950 -0.013 0.000 2.186 323 F HA -0.111 4.416 4.527 0.001 0.000 0.299 323 F C 1.855 177.647 175.800 -0.013 0.000 1.090 323 F CA 1.167 59.166 58.000 -0.001 0.000 1.307 323 F CB -0.146 38.862 39.000 0.012 0.000 1.019 323 F HN -0.095 nan 8.300 nan 0.000 0.489 324 V N 0.820 120.674 119.914 -0.100 0.000 2.237 324 V HA -0.269 3.852 4.120 0.001 0.000 0.245 324 V C 2.456 178.418 176.094 -0.221 0.000 1.046 324 V CA 2.156 64.352 62.300 -0.174 0.000 1.007 324 V CB -0.847 30.960 31.823 -0.027 0.000 0.638 324 V HN 0.232 nan 8.190 nan 0.000 0.445 325 E N 0.155 120.275 120.200 -0.134 0.000 2.147 325 E HA -0.242 4.108 4.350 0.001 0.000 0.199 325 E C 2.081 178.584 176.600 -0.160 0.000 1.005 325 E CA 1.629 57.958 56.400 -0.118 0.000 0.810 325 E CB -0.492 29.164 29.700 -0.073 0.000 0.736 325 E HN 0.611 nan 8.360 nan 0.000 0.460 326 I N 0.514 120.955 120.570 -0.214 0.000 2.493 326 I HA -0.198 3.973 4.170 0.001 0.000 0.254 326 I C 2.290 178.237 176.117 -0.283 0.000 1.160 326 I CA 0.499 61.665 61.300 -0.225 0.000 1.445 326 I CB -0.163 37.702 38.000 -0.224 0.000 1.086 326 I HN -0.052 nan 8.210 nan 0.000 0.433 327 V N 0.790 120.467 119.914 -0.396 0.000 2.283 327 V HA -0.198 3.923 4.120 0.001 0.000 0.243 327 V C 2.625 178.584 176.094 -0.225 0.000 1.039 327 V CA 1.539 63.629 62.300 -0.349 0.000 1.016 327 V CB -0.686 30.909 31.823 -0.380 0.000 0.650 327 V HN 0.346 nan 8.190 nan 0.000 0.449 328 R N 0.887 121.270 120.500 -0.194 0.000 2.083 328 R HA -0.139 4.202 4.340 0.001 0.000 0.237 328 R C 1.952 178.175 176.300 -0.128 0.000 1.137 328 R CA 1.969 57.981 56.100 -0.146 0.000 0.951 328 R CB -1.299 28.930 30.300 -0.119 0.000 0.851 328 R HN 0.684 nan 8.270 nan 0.000 0.434 329 N N 0.524 119.151 118.700 -0.122 0.000 2.207 329 N HA 0.015 4.755 4.740 0.001 0.000 0.182 329 N C 0.484 175.936 175.510 -0.096 0.000 1.020 329 N CA 0.297 53.288 53.050 -0.098 0.000 0.858 329 N CB -0.095 38.342 38.487 -0.085 0.000 0.991 329 N HN 0.123 nan 8.380 nan 0.000 0.427 330 A N 1.552 124.305 122.820 -0.111 0.000 2.587 330 A HA -0.113 4.208 4.320 0.001 0.000 0.235 330 A C 0.844 178.375 177.584 -0.088 0.000 1.044 330 A CA 0.417 52.395 52.037 -0.097 0.000 0.754 330 A CB 0.163 19.095 19.000 -0.113 0.000 0.968 330 A HN 0.331 nan 8.150 nan 0.000 0.509 331 E N 1.022 121.180 120.200 -0.070 0.000 2.250 331 E HA -0.011 4.340 4.350 0.001 0.000 0.192 331 E C 0.397 176.961 176.600 -0.061 0.000 0.986 331 E CA 0.823 57.185 56.400 -0.063 0.000 0.849 331 E CB 0.086 29.756 29.700 -0.050 0.000 0.797 331 E HN 0.907 nan 8.360 nan 0.000 0.482 332 N N -1.012 117.653 118.700 -0.059 0.000 3.179 332 N HA 0.038 4.778 4.740 0.001 0.000 0.250 332 N C 0.259 175.736 175.510 -0.055 0.000 1.507 332 N CA -0.536 52.481 53.050 -0.054 0.000 0.883 332 N CB 0.617 39.079 38.487 -0.041 0.000 1.435 332 N HN -0.141 nan 8.380 nan 0.000 0.532 333 L N -0.136 121.058 121.223 -0.048 0.000 2.551 333 L HA -0.139 4.201 4.340 0.001 0.000 0.230 333 L C 0.507 177.356 176.870 -0.035 0.000 1.163 333 L CA 1.575 56.386 54.840 -0.047 0.000 0.826 333 L CB -0.534 41.502 42.059 -0.039 0.000 0.943 333 L HN 0.534 nan 8.230 nan 0.000 0.452 334 D N -1.522 118.861 120.400 -0.030 0.000 2.394 334 D HA -0.081 4.559 4.640 0.001 0.000 0.226 334 D C 2.054 178.342 176.300 -0.021 0.000 0.990 334 D CA 0.254 54.242 54.000 -0.019 0.000 0.902 334 D CB 0.149 40.939 40.800 -0.016 0.000 1.038 334 D HN 0.136 nan 8.370 nan 0.000 0.499 335 E N 0.488 120.670 120.200 -0.031 0.000 2.072 335 E HA -0.116 4.235 4.350 0.001 0.000 0.191 335 E C 1.998 178.576 176.600 -0.038 0.000 0.985 335 E CA 0.506 56.885 56.400 -0.034 0.000 0.801 335 E CB -0.087 29.587 29.700 -0.043 0.000 0.750 335 E HN 0.212 nan 8.360 nan 0.000 0.452 336 L N 1.797 122.991 121.223 -0.049 0.000 2.044 336 L HA -0.146 4.194 4.340 0.001 0.000 0.205 336 L C 2.029 178.889 176.870 -0.016 0.000 1.075 336 L CA 1.957 56.763 54.840 -0.056 0.000 0.747 336 L CB -0.456 41.552 42.059 -0.085 0.000 0.903 336 L HN -0.040 nan 8.230 nan 0.000 0.435 337 D N -1.411 118.984 120.400 -0.009 0.000 2.149 337 D HA -0.185 4.455 4.640 0.001 0.000 0.198 337 D C 1.971 178.288 176.300 0.029 0.000 0.990 337 D CA 1.601 55.615 54.000 0.023 0.000 0.839 337 D CB 0.114 40.921 40.800 0.013 0.000 0.948 337 D HN 0.386 nan 8.370 nan 0.000 0.460 338 S N -1.155 114.551 115.700 0.010 0.000 2.439 338 S HA 0.080 4.551 4.470 0.001 0.000 0.224 338 S C 1.923 176.527 174.600 0.008 0.000 1.029 338 S CA 0.266 58.471 58.200 0.009 0.000 0.946 338 S CB -0.048 63.152 63.200 -0.000 0.000 0.797 338 S HN 0.303 nan 8.310 nan 0.000 0.504 339 M N 0.955 120.554 119.600 -0.001 0.000 2.200 339 M HA 0.049 4.530 4.480 0.001 0.000 0.265 339 M C 1.769 178.078 176.300 0.016 0.000 1.066 339 M CA 1.083 56.379 55.300 -0.006 0.000 1.127 339 M CB -0.482 32.100 32.600 -0.031 0.000 1.379 339 M HN 0.237 nan 8.290 nan 0.000 0.420 340 L N 0.060 121.306 121.223 0.039 0.000 2.079 340 L HA -0.178 4.163 4.340 0.001 0.000 0.210 340 L C 0.836 177.747 176.870 0.068 0.000 1.081 340 L CA 1.025 55.919 54.840 0.090 0.000 0.752 340 L CB -0.539 41.616 42.059 0.161 0.000 0.896 340 L HN 0.280 nan 8.230 nan 0.000 0.433 341 E N 1.575 121.803 120.200 0.045 0.000 2.443 341 E HA 0.096 4.447 4.350 0.001 0.000 0.310 341 E C -0.242 176.373 176.600 0.024 0.000 1.202 341 E CA 0.119 56.536 56.400 0.028 0.000 1.301 341 E CB 0.046 29.758 29.700 0.021 0.000 1.104 341 E HN 0.349 nan 8.360 nan 0.000 0.487 350 S N 0.394 116.111 115.700 0.028 0.000 2.911 350 S HA -0.076 4.394 4.470 0.001 0.000 0.837 350 S C -0.778 173.850 174.600 0.046 0.000 0.825 350 S CA -0.003 58.215 58.200 0.030 0.000 1.489 350 S CB -0.764 62.449 63.200 0.022 0.000 1.063 350 S HN 0.871 nan 8.310 nan 0.000 0.469 351 V N 7.135 127.086 119.914 0.062 0.000 2.350 351 V HA 0.720 4.841 4.120 0.001 0.000 0.276 351 V C 1.047 177.194 176.094 0.088 0.000 1.028 351 V CA 0.480 62.841 62.300 0.101 0.000 0.860 351 V CB 1.153 33.062 31.823 0.143 0.000 0.990 351 V HN 1.093 nan 8.190 nan 0.000 0.453 352 T N 0.753 115.302 114.554 -0.007 0.000 2.724 352 T HA 0.195 4.545 4.350 0.001 0.000 0.274 352 T C 1.401 175.823 174.700 -0.463 0.000 0.984 352 T CA 0.060 61.974 62.100 -0.311 0.000 1.024 352 T CB 1.214 69.967 68.868 -0.191 0.000 1.320 352 T HN 0.704 nan 8.240 nan 0.000 0.555 353 C N -1.921 116.840 119.300 -0.898 0.000 2.449 353 C HA 0.189 4.649 4.460 0.001 0.000 0.283 353 C C 1.560 176.323 174.990 -0.379 0.000 1.453 353 C CA -0.484 58.116 59.018 -0.698 0.000 1.779 353 C CB -2.155 25.091 27.740 -0.823 0.000 1.779 353 C HN 0.768 nan 8.230 nan 0.000 0.546 354 W N 1.118 122.359 121.300 -0.098 0.000 3.239 354 W HA 0.301 4.962 4.660 0.001 0.000 0.368 354 W C 1.964 178.492 176.519 0.015 0.000 1.154 354 W CA -0.265 57.075 57.345 -0.009 0.000 1.860 354 W CB -0.039 29.408 29.460 -0.022 0.000 1.094 354 W HN 0.118 nan 8.180 nan 0.000 0.643 355 S N 0.458 116.270 115.700 0.187 0.000 2.558 355 S HA 0.012 4.482 4.470 0.001 0.000 0.217 355 S C 0.705 175.394 174.600 0.149 0.000 0.975 355 S CA 0.310 58.605 58.200 0.158 0.000 0.912 355 S CB -0.093 63.188 63.200 0.135 0.000 0.776 355 S HN 0.245 nan 8.310 nan 0.000 0.526 356 Q N 0.133 120.026 119.800 0.155 0.000 2.648 356 Q HA 0.437 4.778 4.340 0.001 0.000 0.300 356 Q C -3.536 172.549 176.000 0.142 0.000 0.954 356 Q CA -2.220 53.655 55.803 0.120 0.000 0.757 356 Q CB 0.643 29.456 28.738 0.125 0.000 1.482 356 Q HN -0.080 nan 8.270 nan 0.000 0.437 357 P HA 0.445 nan 4.420 nan 0.000 0.284 357 P C -0.758 176.656 177.300 0.190 0.000 1.253 357 P CA -0.362 62.839 63.100 0.169 0.000 0.800 357 P CB 1.100 32.877 31.700 0.129 0.000 0.961 358 L N 3.214 124.579 121.223 0.236 0.000 2.365 358 L HA 0.462 4.803 4.340 0.001 0.000 0.273 358 L C -0.271 176.731 176.870 0.221 0.000 1.000 358 L CA -0.993 53.949 54.840 0.169 0.000 0.819 358 L CB 1.788 43.943 42.059 0.161 0.000 1.284 358 L HN 0.300 nan 8.230 nan 0.000 0.418 359 F N 3.820 123.712 119.950 -0.097 0.000 2.361 359 F HA 0.518 5.045 4.527 0.001 0.000 0.364 359 F C -1.066 174.605 175.800 -0.215 0.000 1.120 359 F CA -1.269 56.714 58.000 -0.029 0.000 1.102 359 F CB 0.521 39.547 39.000 0.043 0.000 1.183 359 F HN 0.089 nan 8.300 nan 0.000 0.476 360 F N 5.875 125.644 119.950 -0.301 0.000 2.388 360 F HA 0.440 4.968 4.527 0.001 0.000 0.358 360 F C -0.229 175.131 175.800 -0.734 0.000 1.122 360 F CA -1.006 56.688 58.000 -0.511 0.000 1.056 360 F CB 1.414 40.129 39.000 -0.475 0.000 1.155 360 F HN 0.051 nan 8.300 nan 0.000 0.461 361 V N 4.042 123.627 119.914 -0.549 0.000 2.368 361 V HA 0.080 4.201 4.120 0.001 0.000 0.266 361 V C 0.334 176.238 176.094 -0.318 0.000 1.045 361 V CA -0.732 61.320 62.300 -0.415 0.000 0.899 361 V CB 0.889 32.564 31.823 -0.246 0.000 1.006 361 V HN 0.774 nan 8.190 nan 0.000 0.470 362 N N 5.306 123.788 118.700 -0.364 0.000 2.605 362 N HA 0.149 4.890 4.740 0.001 0.000 0.258 362 N C 1.058 176.564 175.510 -0.008 0.000 1.156 362 N CA -0.482 52.400 53.050 -0.279 0.000 1.008 362 N CB 0.451 38.755 38.487 -0.305 0.000 1.354 362 N HN 0.694 nan 8.380 nan 0.000 0.509 363 L N 1.868 123.146 121.223 0.093 0.000 2.261 363 L HA -0.181 4.160 4.340 0.001 0.000 0.216 363 L C 2.537 179.479 176.870 0.121 0.000 1.114 363 L CA 0.573 55.450 54.840 0.062 0.000 0.777 363 L CB -0.450 41.703 42.059 0.157 0.000 0.910 363 L HN 0.540 nan 8.230 nan 0.000 0.440 364 S N 0.144 115.998 115.700 0.257 0.000 2.370 364 S HA -0.258 4.212 4.470 0.001 0.000 0.226 364 S C 2.111 176.769 174.600 0.097 0.000 1.033 364 S CA 1.764 60.090 58.200 0.208 0.000 1.011 364 S CB -0.049 63.336 63.200 0.307 0.000 0.852 364 S HN 0.418 nan 8.310 nan 0.000 0.457 365 K N 0.246 120.699 120.400 0.088 0.000 2.155 365 K HA -0.027 4.294 4.320 0.001 0.000 0.203 365 K C 2.045 178.649 176.600 0.006 0.000 1.052 365 K CA 1.565 57.873 56.287 0.036 0.000 0.948 365 K CB -0.212 32.305 32.500 0.029 0.000 0.728 365 K HN 0.539 nan 8.250 nan 0.000 0.448 366 S N -1.066 114.619 115.700 -0.026 0.000 2.486 366 S HA -0.033 4.438 4.470 0.001 0.000 0.220 366 S C 1.534 176.105 174.600 -0.049 0.000 1.011 366 S CA 0.745 58.913 58.200 -0.053 0.000 0.921 366 S CB 0.445 63.561 63.200 -0.140 0.000 0.785 366 S HN 0.427 nan 8.310 nan 0.000 0.517 367 T N -3.959 110.571 114.554 -0.041 0.000 3.087 367 T HA 0.537 4.887 4.350 0.001 0.000 0.283 367 T C 1.427 176.137 174.700 0.017 0.000 0.956 367 T CA 0.597 62.693 62.100 -0.007 0.000 0.894 367 T CB 0.170 69.033 68.868 -0.009 0.000 1.160 367 T HN 1.104 nan 8.240 nan 0.000 0.532 368 G N 1.208 110.023 108.800 0.025 0.000 2.162 368 G HA2 -0.234 3.726 3.960 0.001 0.000 0.260 368 G HA3 -0.234 3.726 3.960 0.001 0.000 0.260 368 G C 0.032 174.964 174.900 0.053 0.000 0.976 368 G CA 0.136 45.253 45.100 0.027 0.000 0.655 368 G HN 0.806 nan 8.290 nan 0.000 0.533 369 V N 0.995 120.965 119.914 0.093 0.000 2.465 369 V HA 0.645 4.766 4.120 0.001 0.000 0.279 369 V C 1.191 177.438 176.094 0.254 0.000 1.045 369 V CA 0.045 62.433 62.300 0.147 0.000 0.938 369 V CB 1.545 33.457 31.823 0.148 0.000 0.986 369 V HN 1.022 nan 8.190 nan 0.000 0.467 370 A N 4.325 127.303 122.820 0.263 0.000 3.004 370 A HA 0.447 4.768 4.320 0.001 0.000 0.254 370 A C 0.657 178.588 177.584 0.577 0.000 1.857 370 A CA 0.256 52.523 52.037 0.383 0.000 1.460 370 A CB -0.620 18.542 19.000 0.269 0.000 0.963 370 A HN 0.697 nan 8.150 nan 0.000 0.624 371 S N -0.732 115.318 115.700 0.584 0.000 2.651 371 S HA 0.815 5.286 4.470 0.001 0.000 0.279 371 S C -1.286 173.739 174.600 0.708 0.000 1.148 371 S CA -0.451 58.100 58.200 0.585 0.000 0.837 371 S CB 1.067 64.570 63.200 0.505 0.000 1.138 371 S HN 0.278 nan 8.310 nan 0.000 0.478 372 F N 1.893 122.031 119.950 0.313 0.000 2.493 372 F HA 0.533 5.060 4.527 0.001 0.000 0.329 372 F C -0.071 175.821 175.800 0.153 0.000 1.126 372 F CA -1.315 56.828 58.000 0.238 0.000 0.937 372 F CB 1.642 40.853 39.000 0.352 0.000 1.146 372 F HN 0.376 nan 8.300 nan 0.000 0.442 373 M N 6.335 126.043 119.600 0.179 0.000 2.066 373 M HA 0.432 4.913 4.480 0.001 0.000 0.340 373 M C -1.395 174.839 176.300 -0.109 0.000 1.053 373 M CA -0.192 55.116 55.300 0.013 0.000 0.983 373 M CB 1.019 33.621 32.600 0.004 0.000 1.520 373 M HN 0.674 nan 8.290 nan 0.000 0.428 374 M N 4.991 124.501 119.600 -0.150 0.000 2.300 374 M HA 0.451 4.932 4.480 0.001 0.000 0.348 374 M C -1.953 174.194 176.300 -0.255 0.000 1.151 374 M CA -0.809 54.243 55.300 -0.414 0.000 1.046 374 M CB 1.233 33.493 32.600 -0.567 0.000 1.647 374 M HN 0.653 nan 8.290 nan 0.000 0.451 375 L N 6.047 127.155 121.223 -0.191 0.000 2.325 375 L HA 0.653 4.994 4.340 0.001 0.000 0.278 375 L C -0.161 176.736 176.870 0.046 0.000 1.023 375 L CA -0.148 54.708 54.840 0.027 0.000 0.811 375 L CB 1.863 44.061 42.059 0.232 0.000 1.249 375 L HN 0.801 nan 8.230 nan 0.000 0.431 376 M N 1.568 121.214 119.600 0.077 0.000 2.631 376 M HA 0.740 5.221 4.480 0.001 0.000 0.288 376 M C -1.253 175.103 176.300 0.093 0.000 1.260 376 M CA -0.811 54.547 55.300 0.096 0.000 0.842 376 M CB 2.452 35.117 32.600 0.109 0.000 1.743 376 M HN 0.534 nan 8.290 nan 0.000 0.461 377 Q N 1.654 121.508 119.800 0.090 0.000 2.495 377 Q HA 0.826 5.166 4.340 0.001 0.000 0.283 377 Q C -1.337 174.688 176.000 0.042 0.000 1.097 377 Q CA -0.766 55.078 55.803 0.068 0.000 0.836 377 Q CB 1.755 30.546 28.738 0.087 0.000 1.426 377 Q HN 0.943 nan 8.270 nan 0.000 0.459 378 A N 1.642 124.475 122.820 0.023 0.000 2.425 378 A HA 0.415 4.735 4.320 0.001 0.000 0.249 378 A C -1.666 175.936 177.584 0.030 0.000 1.084 378 A CA -0.960 51.074 52.037 -0.005 0.000 0.781 378 A CB -0.054 18.939 19.000 -0.012 0.000 1.019 378 A HN 0.729 nan 8.150 nan 0.000 0.490 379 P HA -0.056 nan 4.420 nan 0.000 0.240 379 P C 1.435 178.629 177.300 -0.177 0.000 1.190 379 P CA 0.118 63.169 63.100 -0.081 0.000 0.781 379 P CB 0.176 31.872 31.700 -0.007 0.000 0.931 380 L N 0.699 121.913 121.223 -0.015 0.000 2.012 380 L HA -0.133 4.208 4.340 0.001 0.000 0.210 380 L C 1.872 178.716 176.870 -0.044 0.000 1.073 380 L CA 2.298 57.155 54.840 0.029 0.000 0.748 380 L CB -1.616 40.515 42.059 0.120 0.000 0.891 380 L HN 0.021 nan 8.230 nan 0.000 0.431 381 T N 0.888 115.424 114.554 -0.030 0.000 2.565 381 T HA -0.270 4.081 4.350 0.001 0.000 0.265 381 T C 1.628 176.294 174.700 -0.056 0.000 1.082 381 T CA 2.100 64.191 62.100 -0.015 0.000 1.173 381 T CB -0.540 68.332 68.868 0.007 0.000 0.864 381 T HN 0.518 nan 8.240 nan 0.000 0.425 382 N N 0.739 119.365 118.700 -0.124 0.000 2.094 382 N HA -0.184 4.557 4.740 0.001 0.000 0.191 382 N C 1.737 177.198 175.510 -0.082 0.000 1.023 382 N CA 1.672 54.646 53.050 -0.127 0.000 0.857 382 N CB -0.529 37.842 38.487 -0.192 0.000 1.013 382 N HN 0.646 nan 8.380 nan 0.000 0.426 383 H N 0.504 119.551 119.070 -0.038 0.000 2.389 383 H HA 0.055 4.611 4.556 0.001 0.000 0.299 383 H C 2.053 177.308 175.328 -0.121 0.000 1.081 383 H CA 0.461 56.465 56.048 -0.074 0.000 1.345 383 H CB 0.228 29.941 29.762 -0.081 0.000 1.393 383 H HN 0.124 nan 8.280 nan 0.000 0.520 384 I N 1.209 121.761 120.570 -0.030 0.000 2.286 384 I HA -0.166 4.004 4.170 0.001 0.000 0.245 384 I C 1.923 178.015 176.117 -0.042 0.000 1.104 384 I CA 1.288 62.535 61.300 -0.087 0.000 1.397 384 I CB -0.832 37.145 38.000 -0.038 0.000 1.072 384 I HN 0.384 nan 8.210 nan 0.000 0.417 385 E N 0.471 120.652 120.200 -0.031 0.000 2.204 385 E HA -0.138 4.213 4.350 0.001 0.000 0.194 385 E C 2.233 178.811 176.600 -0.038 0.000 0.989 385 E CA 1.107 57.482 56.400 -0.042 0.000 0.824 385 E CB -0.046 29.631 29.700 -0.039 0.000 0.756 385 E HN 0.318 nan 8.360 nan 0.000 0.477 386 S N 1.034 116.724 115.700 -0.017 0.000 2.419 386 S HA -0.099 4.372 4.470 0.001 0.000 0.233 386 S C 1.783 176.371 174.600 -0.019 0.000 1.016 386 S CA 0.896 59.091 58.200 -0.008 0.000 0.974 386 S CB -0.154 63.061 63.200 0.025 0.000 0.786 386 S HN 0.389 nan 8.310 nan 0.000 0.492 387 I N -0.068 120.485 120.570 -0.027 0.000 3.816 387 I HA 0.327 4.497 4.170 0.001 0.000 0.334 387 I C 1.431 177.531 176.117 -0.027 0.000 1.551 387 I CA -0.469 60.815 61.300 -0.026 0.000 1.153 387 I CB 0.088 38.070 38.000 -0.031 0.000 1.197 387 I HN 0.042 nan 8.210 nan 0.000 0.439 388 R N 0.484 120.960 120.500 -0.040 0.000 2.241 388 R HA -0.050 4.291 4.340 0.001 0.000 0.224 388 R C 0.695 176.964 176.300 -0.051 0.000 1.101 388 R CA 1.129 57.196 56.100 -0.055 0.000 0.995 388 R CB -0.344 29.909 30.300 -0.080 0.000 0.870 388 R HN 0.437 nan 8.270 nan 0.000 0.463 389 E N 0.873 121.051 120.200 -0.038 0.000 2.447 389 E HA -0.017 4.334 4.350 0.001 0.000 0.195 389 E C -0.116 176.474 176.600 -0.016 0.000 1.028 389 E CA 0.245 56.626 56.400 -0.032 0.000 0.876 389 E CB 0.081 29.764 29.700 -0.029 0.000 0.885 389 E HN 0.289 nan 8.360 nan 0.000 0.500 390 D N 1.740 122.137 120.400 -0.005 0.000 2.631 390 D HA 0.011 4.651 4.640 0.001 0.000 0.227 390 D C 0.840 177.163 176.300 0.039 0.000 1.146 390 D CA -0.139 53.870 54.000 0.015 0.000 1.009 390 D CB 0.266 41.078 40.800 0.020 0.000 1.057 390 D HN -0.257 nan 8.370 nan 0.000 0.509 391 K N 1.083 121.498 120.400 0.025 0.000 2.089 391 K HA -0.204 4.117 4.320 0.001 0.000 0.210 391 K C 1.542 178.209 176.600 0.112 0.000 1.048 391 K CA 1.204 57.516 56.287 0.042 0.000 0.926 391 K CB -0.037 32.461 32.500 -0.004 0.000 0.714 391 K HN 0.543 nan 8.250 nan 0.000 0.448 392 E N 0.017 120.278 120.200 0.101 0.000 2.152 392 E HA -0.158 4.192 4.350 0.001 0.000 0.192 392 E C 2.173 178.896 176.600 0.205 0.000 0.983 392 E CA 0.625 57.122 56.400 0.162 0.000 0.818 392 E CB -0.068 29.696 29.700 0.106 0.000 0.758 392 E HN 0.128 nan 8.360 nan 0.000 0.467 393 R N 1.401 121.986 120.500 0.142 0.000 2.075 393 R HA -0.086 4.255 4.340 0.001 0.000 0.232 393 R C 2.113 178.523 176.300 0.183 0.000 1.126 393 R CA 1.085 57.263 56.100 0.131 0.000 0.963 393 R CB -0.487 29.860 30.300 0.078 0.000 0.858 393 R HN 0.126 nan 8.270 nan 0.000 0.435 394 L N -0.465 120.882 121.223 0.206 0.000 2.017 394 L HA -0.114 4.227 4.340 0.001 0.000 0.208 394 L C 2.276 179.434 176.870 0.478 0.000 1.073 394 L CA 1.547 56.578 54.840 0.319 0.000 0.745 394 L CB -0.515 41.688 42.059 0.240 0.000 0.894 394 L HN 0.231 nan 8.230 nan 0.000 0.432 395 F N -0.364 119.743 119.950 0.263 0.000 2.216 395 F HA -0.235 4.293 4.527 0.001 0.000 0.300 395 F C 2.705 178.641 175.800 0.227 0.000 1.085 395 F CA 1.521 59.677 58.000 0.260 0.000 1.326 395 F CB -0.033 39.049 39.000 0.136 0.000 1.027 395 F HN -0.043 nan 8.300 nan 0.000 0.497 396 S N -0.382 115.354 115.700 0.060 0.000 2.387 396 S HA -0.184 4.287 4.470 0.001 0.000 0.226 396 S C 1.941 176.493 174.600 -0.081 0.000 1.026 396 S CA 1.067 59.219 58.200 -0.079 0.000 0.972 396 S CB -0.774 62.464 63.200 0.064 0.000 0.814 396 S HN 0.533 nan 8.310 nan 0.000 0.477 397 F N 0.907 120.777 119.950 -0.134 0.000 2.146 397 F HA 0.074 4.602 4.527 0.001 0.000 0.298 397 F C 1.235 176.798 175.800 -0.395 0.000 1.096 397 F CA 1.483 59.309 58.000 -0.290 0.000 1.275 397 F CB -0.160 38.586 39.000 -0.423 0.000 1.008 397 F HN 0.264 nan 8.300 nan 0.000 0.480 398 F N -0.220 119.803 119.950 0.121 0.000 2.749 398 F HA 0.108 4.635 4.527 0.001 0.000 0.300 398 F C 2.271 177.921 175.800 -0.250 0.000 1.103 398 F CA 0.259 58.252 58.000 -0.011 0.000 1.342 398 F CB -0.774 38.378 39.000 0.254 0.000 1.098 398 F HN 0.007 nan 8.300 nan 0.000 0.586 399 Q N 1.380 121.036 119.800 -0.240 0.000 2.133 399 Q HA -0.221 4.120 4.340 0.001 0.000 0.208 399 Q C -0.816 175.050 176.000 -0.223 0.000 0.991 399 Q CA 2.261 57.815 55.803 -0.415 0.000 0.867 399 Q CB -0.971 27.362 28.738 -0.675 0.000 0.911 399 Q HN 0.217 nan 8.270 nan 0.000 0.417 400 P HA -0.156 nan 4.420 nan 0.000 0.215 400 P C 1.477 178.730 177.300 -0.078 0.000 1.157 400 P CA 2.104 65.174 63.100 -0.051 0.000 0.863 400 P CB -0.229 31.490 31.700 0.031 0.000 0.787 401 V N -3.037 116.655 119.914 -0.370 0.000 2.515 401 V HA -0.176 3.944 4.120 0.001 0.000 0.250 401 V C 2.229 178.130 176.094 -0.321 0.000 1.058 401 V CA 1.516 63.523 62.300 -0.489 0.000 1.064 401 V CB -1.863 29.583 31.823 -0.628 0.000 0.675 401 V HN 0.003 nan 8.190 nan 0.000 0.461 402 L N 0.590 121.646 121.223 -0.279 0.000 2.046 402 L HA -0.097 4.244 4.340 0.001 0.000 0.208 402 L C 2.735 179.495 176.870 -0.184 0.000 1.077 402 L CA 1.856 56.520 54.840 -0.294 0.000 0.747 402 L CB -0.785 41.128 42.059 -0.244 0.000 0.896 402 L HN 0.358 nan 8.230 nan 0.000 0.432 403 N N -0.029 118.613 118.700 -0.096 0.000 2.216 403 N HA -0.167 4.574 4.740 0.001 0.000 0.183 403 N C 1.798 177.300 175.510 -0.013 0.000 1.017 403 N CA 0.893 53.923 53.050 -0.034 0.000 0.861 403 N CB -0.153 38.340 38.487 0.010 0.000 0.986 403 N HN 0.089 nan 8.380 nan 0.000 0.428 404 K N 1.380 121.800 120.400 0.032 0.000 2.097 404 K HA 0.080 4.401 4.320 0.001 0.000 0.206 404 K C 1.878 178.484 176.600 0.011 0.000 1.049 404 K CA 0.733 57.080 56.287 0.100 0.000 0.933 404 K CB -0.392 32.307 32.500 0.332 0.000 0.717 404 K HN 0.149 nan 8.250 nan 0.000 0.442 405 I N -0.064 120.444 120.570 -0.104 0.000 2.163 405 I HA -0.276 3.895 4.170 0.001 0.000 0.240 405 I C 2.100 178.137 176.117 -0.133 0.000 1.081 405 I CA 1.000 62.194 61.300 -0.177 0.000 1.353 405 I CB -0.232 37.548 38.000 -0.367 0.000 1.054 405 I HN 0.148 nan 8.210 nan 0.000 0.407 406 M N 0.367 119.878 119.600 -0.148 0.000 2.106 406 M HA -0.268 4.213 4.480 0.001 0.000 0.259 406 M C 2.301 178.591 176.300 -0.018 0.000 1.068 406 M CA 1.787 57.025 55.300 -0.102 0.000 1.100 406 M CB -1.223 31.311 32.600 -0.110 0.000 1.351 406 M HN 0.169 nan 8.290 nan 0.000 0.404 407 K N -0.277 120.118 120.400 -0.008 0.000 2.057 407 K HA -0.119 4.201 4.320 0.001 0.000 0.206 407 K C 2.085 178.696 176.600 0.019 0.000 1.050 407 K CA 1.625 57.922 56.287 0.016 0.000 0.935 407 K CB -0.065 32.450 32.500 0.024 0.000 0.715 407 K HN 0.331 nan 8.250 nan 0.000 0.439 408 C N 0.691 119.999 119.300 0.012 0.000 2.435 408 C HA -0.001 4.459 4.460 0.001 0.000 0.279 408 C C 1.771 176.773 174.990 0.019 0.000 1.321 408 C CA 0.344 59.371 59.018 0.016 0.000 1.752 408 C CB -0.657 27.090 27.740 0.013 0.000 1.959 408 C HN 0.456 nan 8.230 nan 0.000 0.500 409 L N 0.926 122.159 121.223 0.018 0.000 2.715 409 L HA 0.115 4.455 4.340 0.001 0.000 0.238 409 L C -0.247 176.676 176.870 0.088 0.000 1.212 409 L CA 0.358 55.233 54.840 0.057 0.000 1.017 409 L CB -0.858 41.243 42.059 0.069 0.000 1.269 409 L HN 0.361 nan 8.230 nan 0.000 0.452 410 D N 0.588 121.023 120.400 0.057 0.000 2.737 410 D HA -0.172 4.469 4.640 0.001 0.000 0.238 410 D C 0.274 176.614 176.300 0.066 0.000 1.157 410 D CA 0.942 54.974 54.000 0.053 0.000 0.694 410 D CB -0.567 40.261 40.800 0.046 0.000 1.021 410 D HN 0.447 nan 8.370 nan 0.000 0.420 411 S N -1.038 114.701 115.700 0.064 0.000 2.973 411 S HA 0.579 5.050 4.470 0.001 0.000 0.317 411 S C -0.820 173.809 174.600 0.048 0.000 1.196 411 S CA -0.534 57.709 58.200 0.071 0.000 0.894 411 S CB 2.123 65.398 63.200 0.126 0.000 1.292 411 S HN 0.081 nan 8.310 nan 0.000 0.614 412 E N 0.681 120.911 120.200 0.049 0.000 2.334 412 E HA 0.497 4.848 4.350 0.001 0.000 0.256 412 E C -1.504 175.121 176.600 0.042 0.000 0.958 412 E CA -0.559 55.866 56.400 0.043 0.000 0.821 412 E CB 0.633 30.361 29.700 0.046 0.000 1.269 412 E HN 0.520 nan 8.360 nan 0.000 0.413 413 D N -0.023 120.408 120.400 0.051 0.000 2.399 413 D HA 0.112 4.752 4.640 0.001 0.000 0.241 413 D C -0.490 175.871 176.300 0.102 0.000 1.133 413 D CA -0.071 53.968 54.000 0.066 0.000 0.890 413 D CB 0.701 41.543 40.800 0.071 0.000 1.201 413 D HN 0.008 nan 8.370 nan 0.000 0.432 414 V N 2.866 122.868 119.914 0.146 0.000 2.572 414 V HA 0.078 4.199 4.120 0.001 0.000 0.291 414 V C 0.837 177.076 176.094 0.242 0.000 1.039 414 V CA -0.155 62.288 62.300 0.237 0.000 1.055 414 V CB 0.352 32.395 31.823 0.368 0.000 0.969 414 V HN 0.328 nan 8.190 nan 0.000 0.482 415 I N 3.656 124.315 120.570 0.148 0.000 2.428 415 I HA 0.264 4.435 4.170 0.001 0.000 0.296 415 I C 0.160 176.209 176.117 -0.112 0.000 0.985 415 I CA -0.351 60.977 61.300 0.047 0.000 1.260 415 I CB 1.416 39.435 38.000 0.032 0.000 1.389 415 I HN 0.562 nan 8.210 nan 0.000 0.484 416 D N 4.972 125.202 120.400 -0.283 0.000 2.380 416 D HA 0.221 4.862 4.640 0.001 0.000 0.230 416 D C 0.508 176.629 176.300 -0.298 0.000 1.154 416 D CA -0.197 53.468 54.000 -0.557 0.000 0.859 416 D CB 1.237 41.570 40.800 -0.778 0.000 1.045 416 D HN 0.692 nan 8.370 nan 0.000 0.495 417 G N 3.403 112.048 108.800 -0.257 0.000 3.805 417 G HA2 0.065 4.026 3.960 0.001 0.000 0.290 417 G HA3 0.065 4.026 3.960 0.001 0.000 0.290 417 G C 1.154 175.933 174.900 -0.202 0.000 1.077 417 G CA -0.270 44.723 45.100 -0.179 0.000 0.852 417 G HN 0.491 nan 8.290 nan 0.000 0.531 418 M N -0.236 119.226 119.600 -0.231 0.000 2.557 418 M HA 0.150 4.631 4.480 0.001 0.000 0.259 418 M C 1.366 177.586 176.300 -0.134 0.000 1.086 418 M CA 0.622 55.801 55.300 -0.201 0.000 1.096 418 M CB 0.197 32.680 32.600 -0.194 0.000 1.424 418 M HN 0.108 nan 8.290 nan 0.000 0.488 419 R N 1.050 121.483 120.500 -0.112 0.000 2.711 419 R HA 0.407 4.747 4.340 0.001 0.000 0.284 419 R C -2.553 173.716 176.300 -0.051 0.000 0.968 419 R CA -1.737 54.321 56.100 -0.069 0.000 0.924 419 R CB 1.318 31.583 30.300 -0.059 0.000 1.162 419 R HN -0.168 nan 8.270 nan 0.000 0.465 420 P HA -0.041 nan 4.420 nan 0.000 0.263 420 P C -0.754 176.537 177.300 -0.015 0.000 1.168 420 P CA 0.749 63.840 63.100 -0.014 0.000 0.759 420 P CB 0.199 31.895 31.700 -0.006 0.000 0.782 421 I N 0.097 120.662 120.570 -0.008 0.000 6.370 421 I HA -0.222 3.949 4.170 0.001 0.000 0.126 421 I C 1.285 177.393 176.117 -0.014 0.000 1.824 421 I CA -0.311 60.985 61.300 -0.007 0.000 2.037 421 I CB -0.814 37.182 38.000 -0.008 0.000 3.478 421 I HN 0.419 nan 8.210 nan 0.000 0.169 422 E N 4.082 124.277 120.200 -0.008 0.000 1.987 422 E HA -0.135 4.216 4.350 0.001 0.000 0.214 422 E C 1.205 177.797 176.600 -0.013 0.000 1.012 422 E CA 2.245 58.637 56.400 -0.014 0.000 0.881 422 E CB -0.180 29.523 29.700 0.003 0.000 0.806 422 E HN 0.731 nan 8.360 nan 0.000 0.516 423 N N -2.329 116.370 118.700 -0.001 0.000 1.939 423 N HA 0.095 4.835 4.740 0.001 0.000 0.265 423 N C 0.414 175.928 175.510 0.007 0.000 1.348 423 N CA 0.713 53.764 53.050 0.002 0.000 0.746 423 N CB 0.924 39.412 38.487 0.003 0.000 1.341 423 N HN 0.235 nan 8.380 nan 0.000 0.582 424 I N 0.314 120.890 120.570 0.009 0.000 3.948 424 I HA -0.362 3.808 4.170 0.001 0.000 0.138 424 I C 0.888 177.012 176.117 0.011 0.000 0.375 424 I CA 1.629 62.935 61.300 0.010 0.000 1.240 424 I CB -1.093 36.912 38.000 0.008 0.000 1.093 424 I HN 0.192 nan 8.210 nan 0.000 0.205 425 A N 0.660 123.487 122.820 0.012 0.000 2.507 425 A HA 0.262 4.583 4.320 0.001 0.000 0.270 425 A C 1.154 178.749 177.584 0.018 0.000 1.318 425 A CA -0.087 51.958 52.037 0.014 0.000 0.924 425 A CB -0.271 18.737 19.000 0.014 0.000 1.061 425 A HN 0.478 nan 8.150 nan 0.000 0.516 426 N N 0.873 119.585 118.700 0.020 0.000 2.057 426 N HA 0.146 4.886 4.740 0.001 0.000 0.212 426 N C 1.716 177.239 175.510 0.022 0.000 1.172 426 N CA 1.307 54.373 53.050 0.027 0.000 0.981 426 N CB -0.521 37.986 38.487 0.032 0.000 1.155 426 N HN 0.681 nan 8.380 nan 0.000 0.446 427 A N 0.285 123.117 122.820 0.020 0.000 2.066 427 A HA -0.346 3.974 4.320 0.001 0.000 0.231 427 A C 1.495 179.080 177.584 0.002 0.000 0.465 427 A CA 2.445 54.487 52.037 0.008 0.000 1.110 427 A CB -2.125 16.878 19.000 0.004 0.000 1.434 427 A HN 0.636 nan 8.150 nan 0.000 0.706 428 N N -0.519 118.187 118.700 0.011 0.000 2.250 428 N HA 0.150 4.891 4.740 0.001 0.000 0.190 428 N C 0.092 175.619 175.510 0.028 0.000 1.116 428 N CA 0.875 53.931 53.050 0.011 0.000 0.881 428 N CB 0.159 38.653 38.487 0.012 0.000 1.006 428 N HN 0.682 nan 8.380 nan 0.000 0.491 429 K N 1.443 121.868 120.400 0.041 0.000 2.244 429 K HA 0.360 4.681 4.320 0.001 0.000 0.260 429 K C -2.609 174.046 176.600 0.092 0.000 0.951 429 K CA -2.179 54.146 56.287 0.063 0.000 0.826 429 K CB 1.833 34.369 32.500 0.061 0.000 1.108 429 K HN 0.089 nan 8.250 nan 0.000 0.433 430 P HA -0.009 nan 4.420 nan 0.000 0.266 430 P C -0.507 176.956 177.300 0.273 0.000 1.215 430 P CA -0.144 63.076 63.100 0.200 0.000 0.763 430 P CB 0.588 32.340 31.700 0.085 0.000 0.806 431 V N 6.013 126.098 119.914 0.285 0.000 2.333 431 V HA 0.113 4.233 4.120 0.001 0.000 0.274 431 V C 0.666 176.854 176.094 0.156 0.000 1.028 431 V CA -0.783 61.620 62.300 0.172 0.000 0.851 431 V CB 1.089 32.960 31.823 0.081 0.000 1.000 431 V HN 0.438 nan 8.190 nan 0.000 0.456 432 L N 7.042 128.256 121.223 -0.015 0.000 2.361 432 L HA 0.395 4.735 4.340 0.001 0.000 0.278 432 L C 1.233 177.904 176.870 -0.331 0.000 1.113 432 L CA 0.708 55.342 54.840 -0.344 0.000 0.849 432 L CB 0.468 42.316 42.059 -0.351 0.000 1.155 432 L HN 0.466 nan 8.230 nan 0.000 0.452 433 R N 3.132 123.383 120.500 -0.415 0.000 2.254 433 R HA 0.303 4.644 4.340 0.001 0.000 0.193 433 R C 0.037 176.065 176.300 -0.454 0.000 0.929 433 R CA 0.178 55.962 56.100 -0.526 0.000 1.038 433 R CB -0.165 29.506 30.300 -1.048 0.000 1.009 433 R HN 0.820 nan 8.270 nan 0.000 0.512 434 N N -0.425 118.055 118.700 -0.367 0.000 3.127 434 N HA 0.284 5.024 4.740 0.001 0.000 0.239 434 N C -1.675 173.688 175.510 -0.245 0.000 1.407 434 N CA -0.458 52.442 53.050 -0.251 0.000 0.891 434 N CB 1.679 40.056 38.487 -0.183 0.000 1.447 434 N HN -0.186 nan 8.380 nan 0.000 0.507 435 I N 2.388 122.825 120.570 -0.222 0.000 2.569 435 I HA 0.463 4.634 4.170 0.001 0.000 0.290 435 I C -0.862 175.083 176.117 -0.286 0.000 1.088 435 I CA -0.597 60.509 61.300 -0.323 0.000 1.047 435 I CB 2.127 39.962 38.000 -0.275 0.000 1.237 435 I HN 0.392 nan 8.210 nan 0.000 0.421 436 I N 6.366 126.719 120.570 -0.363 0.000 2.465 436 I HA 0.559 4.729 4.170 0.001 0.000 0.291 436 I C -0.753 175.188 176.117 -0.294 0.000 1.014 436 I CA -0.940 60.199 61.300 -0.268 0.000 1.093 436 I CB 2.179 40.043 38.000 -0.227 0.000 1.267 436 I HN 0.125 nan 8.210 nan 0.000 0.431 437 V N 3.805 123.588 119.914 -0.218 0.000 2.769 437 V HA 0.428 4.549 4.120 0.001 0.000 0.312 437 V C 0.327 176.314 176.094 -0.178 0.000 1.061 437 V CA -0.661 61.520 62.300 -0.198 0.000 0.931 437 V CB 1.991 33.717 31.823 -0.161 0.000 1.010 437 V HN 0.939 nan 8.190 nan 0.000 0.433 438 S N 1.860 117.466 115.700 -0.157 0.000 2.625 438 S HA 0.245 4.715 4.470 0.001 0.000 0.258 438 S C 0.389 174.818 174.600 -0.285 0.000 1.256 438 S CA 0.120 58.174 58.200 -0.243 0.000 0.983 438 S CB 0.492 63.649 63.200 -0.071 0.000 1.032 438 S HN 0.932 nan 8.310 nan 0.000 0.572 439 N N -1.775 116.642 118.700 -0.470 0.000 2.297 439 N HA 0.077 4.818 4.740 0.001 0.000 0.244 439 N C -0.235 175.134 175.510 -0.235 0.000 1.412 439 N CA -0.189 52.683 53.050 -0.296 0.000 0.837 439 N CB 0.089 38.404 38.487 -0.286 0.000 1.336 439 N HN 0.743 nan 8.380 nan 0.000 0.508 440 W N 0.902 122.210 121.300 0.014 0.000 2.374 440 W HA -0.118 4.542 4.660 0.001 0.000 0.288 440 W C 2.590 179.128 176.519 0.032 0.000 1.218 440 W CA 1.639 59.006 57.345 0.036 0.000 1.245 440 W CB -0.257 29.235 29.460 0.054 0.000 1.126 440 W HN 0.201 nan 8.180 nan 0.000 0.545 441 T N -1.713 112.962 114.554 0.201 0.000 3.055 441 T HA 0.007 4.357 4.350 0.001 0.000 0.265 441 T C 1.528 176.261 174.700 0.055 0.000 1.111 441 T CA 0.679 62.850 62.100 0.118 0.000 1.118 441 T CB -0.162 68.744 68.868 0.063 0.000 0.909 441 T HN 0.178 nan 8.240 nan 0.000 0.501 442 R N 0.677 121.192 120.500 0.024 0.000 2.365 442 R HA 0.243 4.583 4.340 0.001 0.000 0.223 442 R C 0.112 176.390 176.300 -0.036 0.000 0.899 442 R CA -0.110 55.980 56.100 -0.017 0.000 1.059 442 R CB 0.262 30.540 30.300 -0.037 0.000 1.086 442 R HN 0.323 nan 8.270 nan 0.000 0.522 443 D N 1.925 122.321 120.400 -0.006 0.000 2.317 443 D HA 0.048 4.689 4.640 0.001 0.000 0.252 443 D C -1.477 174.794 176.300 -0.048 0.000 1.174 443 D CA -2.305 51.682 54.000 -0.022 0.000 0.866 443 D CB 1.630 42.461 40.800 0.053 0.000 1.127 443 D HN -0.063 nan 8.370 nan 0.000 0.467 444 P HA -0.142 nan 4.420 nan 0.000 0.222 444 P C 0.793 177.930 177.300 -0.273 0.000 1.147 444 P CA 0.977 63.892 63.100 -0.309 0.000 0.790 444 P CB -0.013 31.384 31.700 -0.504 0.000 0.780 445 Y N 0.067 120.411 120.300 0.073 0.000 2.490 445 Y HA 0.032 4.582 4.550 0.001 0.000 0.281 445 Y C 2.428 178.402 175.900 0.124 0.000 1.174 445 Y CA 0.487 58.638 58.100 0.086 0.000 1.295 445 Y CB 0.120 38.636 38.460 0.092 0.000 1.062 445 Y HN 0.153 nan 8.280 nan 0.000 0.522 446 S N -0.832 115.021 115.700 0.254 0.000 3.056 446 S HA 0.130 4.600 4.470 0.001 0.000 0.255 446 S C 0.757 175.468 174.600 0.184 0.000 1.079 446 S CA -0.414 57.951 58.200 0.275 0.000 0.810 446 S CB 0.082 63.570 63.200 0.480 0.000 0.810 446 S HN 0.232 nan 8.310 nan 0.000 0.477 447 R N 2.133 122.723 120.500 0.148 0.000 3.251 447 R HA -0.016 4.325 4.340 0.001 0.000 0.249 447 R C 0.481 176.884 176.300 0.172 0.000 0.949 447 R CA 0.537 56.689 56.100 0.086 0.000 0.645 447 R CB -2.148 28.139 30.300 -0.023 0.000 1.065 447 R HN 1.131 nan 8.270 nan 0.000 0.452 448 G N -2.675 106.296 108.800 0.285 0.000 2.355 448 G HA2 0.254 4.215 3.960 0.001 0.000 0.619 448 G HA3 0.254 4.215 3.960 0.001 0.000 0.619 448 G C 0.143 175.227 174.900 0.306 0.000 1.337 448 G CA -0.252 45.063 45.100 0.358 0.000 0.993 448 G HN 0.313 nan 8.290 nan 0.000 0.599 449 A N -0.672 122.123 122.820 -0.041 0.000 1.862 449 A HA 0.721 5.041 4.320 0.001 0.000 0.211 449 A C 0.667 178.019 177.584 -0.387 0.000 1.220 449 A CA 2.516 54.380 52.037 -0.289 0.000 0.616 449 A CB -0.235 18.460 19.000 -0.507 0.000 0.878 449 A HN 2.331 nan 8.150 nan 0.000 0.453 450 Y N -4.247 115.452 120.300 -1.001 0.000 2.810 450 Y HA 0.549 5.099 4.550 0.001 0.000 0.355 450 Y C -0.229 174.785 175.900 -1.477 0.000 1.211 450 Y CA -1.200 56.151 58.100 -1.247 0.000 1.112 450 Y CB -0.149 38.047 38.460 -0.440 0.000 1.383 450 Y HN -0.095 nan 8.280 nan 0.000 0.458 451 S N 0.843 116.239 115.700 -0.507 0.000 2.643 451 S HA 0.435 4.906 4.470 0.001 0.000 0.310 451 S C -0.030 174.582 174.600 0.020 0.000 1.253 451 S CA 0.925 59.114 58.200 -0.017 0.000 1.047 451 S CB -0.241 63.070 63.200 0.185 0.000 0.767 451 S HN 1.236 nan 8.310 nan 0.000 0.498 452 A N 2.335 125.216 122.820 0.101 0.000 2.612 452 A HA 0.618 4.939 4.320 0.001 0.000 0.293 452 A C -1.071 176.651 177.584 0.231 0.000 1.075 452 A CA -0.657 51.466 52.037 0.143 0.000 0.680 452 A CB 1.093 20.126 19.000 0.055 0.000 1.279 452 A HN 0.767 nan 8.150 nan 0.000 0.411 453 C N 1.454 120.860 119.300 0.178 0.000 2.322 453 C HA 0.700 5.160 4.460 0.001 0.000 0.324 453 C C -0.088 175.012 174.990 0.184 0.000 1.284 453 C CA -0.610 58.523 59.018 0.193 0.000 1.606 453 C CB -0.900 26.833 27.740 -0.012 0.000 2.251 453 C HN 0.680 nan 8.230 nan 0.000 0.502 454 F N 4.095 124.117 119.950 0.121 0.000 2.379 454 F HA 0.703 5.230 4.527 0.001 0.000 0.332 454 F C -1.936 173.925 175.800 0.102 0.000 1.096 454 F CA -2.512 55.576 58.000 0.146 0.000 1.105 454 F CB -0.248 38.958 39.000 0.343 0.000 1.189 454 F HN 0.331 nan 8.300 nan 0.000 0.515 461 D N -0.472 119.899 120.400 -0.048 0.000 2.454 461 D HA 0.165 4.805 4.640 0.001 0.000 0.219 461 D C 1.677 177.911 176.300 -0.111 0.000 1.081 461 D CA 0.700 54.660 54.000 -0.067 0.000 0.867 461 D CB 0.912 41.678 40.800 -0.056 0.000 1.054 461 D HN 0.366 nan 8.370 nan 0.000 0.500 462 M N 1.305 120.825 119.600 -0.133 0.000 2.159 462 M HA -0.115 4.366 4.480 0.001 0.000 0.263 462 M C 1.809 178.001 176.300 -0.180 0.000 1.063 462 M CA 1.259 56.434 55.300 -0.209 0.000 1.110 462 M CB -0.420 32.053 32.600 -0.212 0.000 1.374 462 M HN -0.217 nan 8.290 nan 0.000 0.411 463 V N -0.747 119.094 119.914 -0.121 0.000 2.252 463 V HA -0.298 3.823 4.120 0.001 0.000 0.249 463 V C 2.369 178.396 176.094 -0.113 0.000 1.056 463 V CA 2.049 64.283 62.300 -0.110 0.000 1.022 463 V CB -1.161 30.617 31.823 -0.076 0.000 0.641 463 V HN 0.418 nan 8.190 nan 0.000 0.445 464 V N 0.273 120.129 119.914 -0.096 0.000 2.343 464 V HA -0.257 3.863 4.120 0.001 0.000 0.247 464 V C 2.712 178.743 176.094 -0.105 0.000 1.051 464 V CA 1.955 64.206 62.300 -0.082 0.000 1.036 464 V CB -1.298 30.486 31.823 -0.064 0.000 0.654 464 V HN 0.563 nan 8.190 nan 0.000 0.451 465 A N -0.118 122.613 122.820 -0.149 0.000 1.883 465 A HA -0.233 4.088 4.320 0.001 0.000 0.217 465 A C 2.254 179.685 177.584 -0.254 0.000 1.186 465 A CA 2.274 54.193 52.037 -0.197 0.000 0.624 465 A CB -0.461 18.382 19.000 -0.262 0.000 0.822 465 A HN 0.420 nan 8.150 nan 0.000 0.444 466 M N -0.369 119.048 119.600 -0.304 0.000 2.099 466 M HA -0.065 4.416 4.480 0.001 0.000 0.262 466 M C 2.382 178.633 176.300 -0.082 0.000 1.067 466 M CA 1.659 56.764 55.300 -0.324 0.000 1.124 466 M CB -1.695 30.718 32.600 -0.311 0.000 1.353 466 M HN 0.395 nan 8.290 nan 0.000 0.410 467 S N 1.341 116.994 115.700 -0.079 0.000 2.387 467 S HA -0.147 4.324 4.470 0.001 0.000 0.230 467 S C 1.687 176.290 174.600 0.004 0.000 1.035 467 S CA 1.382 59.564 58.200 -0.030 0.000 1.014 467 S CB -0.357 62.818 63.200 -0.042 0.000 0.836 467 S HN 0.456 nan 8.310 nan 0.000 0.466 468 N N 0.515 119.213 118.700 -0.004 0.000 2.132 468 N HA 0.189 4.930 4.740 0.001 0.000 0.187 468 N C 1.147 176.702 175.510 0.075 0.000 1.038 468 N CA 1.242 54.304 53.050 0.021 0.000 0.846 468 N CB -0.562 37.925 38.487 -0.000 0.000 1.012 468 N HN 0.508 nan 8.380 nan 0.000 0.429 469 G N 0.071 108.938 108.800 0.113 0.000 2.381 469 G HA2 -0.142 3.818 3.960 0.001 0.000 0.672 469 G HA3 -0.142 3.818 3.960 0.001 0.000 0.672 469 G C 0.026 175.066 174.900 0.233 0.000 1.324 469 G CA 0.133 45.395 45.100 0.271 0.000 0.975 469 G HN 0.211 nan 8.290 nan 0.000 0.593 470 Q N 0.008 120.007 119.800 0.332 0.000 2.172 470 Q HA 0.182 4.523 4.340 0.001 0.000 0.200 470 Q C 0.898 176.949 176.000 0.084 0.000 0.964 470 Q CA 2.562 58.471 55.803 0.177 0.000 0.855 470 Q CB 0.078 28.888 28.738 0.121 0.000 0.918 470 Q HN 0.961 nan 8.270 nan 0.000 0.444 471 D N -3.428 117.020 120.400 0.080 0.000 2.769 471 D HA -0.047 4.593 4.640 0.001 0.000 0.309 471 D C 0.035 176.369 176.300 0.056 0.000 1.315 471 D CA 0.295 54.324 54.000 0.048 0.000 0.780 471 D CB -0.227 40.585 40.800 0.021 0.000 1.312 471 D HN 0.052 nan 8.370 nan 0.000 0.437 472 S N -0.513 115.215 115.700 0.048 0.000 2.484 472 S HA -0.215 4.255 4.470 0.001 0.000 0.250 472 S C 1.150 175.827 174.600 0.128 0.000 0.995 472 S CA 1.107 59.361 58.200 0.089 0.000 0.967 472 S CB -0.407 62.833 63.200 0.068 0.000 0.752 472 S HN 0.540 nan 8.310 nan 0.000 0.517 473 R N -0.752 119.749 120.500 0.002 0.000 2.568 473 R HA 0.360 4.700 4.340 0.001 0.000 0.254 473 R C -0.529 175.765 176.300 -0.010 0.000 0.925 473 R CA -0.199 55.850 56.100 -0.085 0.000 1.025 473 R CB 0.577 30.608 30.300 -0.449 0.000 1.428 473 R HN 0.350 nan 8.270 nan 0.000 0.573 474 I N 3.427 123.989 120.570 -0.012 0.000 2.317 474 I HA 0.234 4.404 4.170 0.001 0.000 0.286 474 I C -0.108 175.940 176.117 -0.114 0.000 1.119 474 I CA -0.204 61.056 61.300 -0.066 0.000 1.228 474 I CB 0.078 38.060 38.000 -0.030 0.000 1.476 474 I HN -0.105 nan 8.210 nan 0.000 0.514 475 R N 4.175 124.603 120.500 -0.121 0.000 2.607 475 R HA 0.688 5.028 4.340 0.001 0.000 0.261 475 R C -0.631 175.512 176.300 -0.260 0.000 1.051 475 R CA -0.578 55.495 56.100 -0.046 0.000 1.110 475 R CB 1.130 31.453 30.300 0.040 0.000 1.158 475 R HN 0.072 nan 8.270 nan 0.000 0.543 476 F N -1.034 118.920 119.950 0.007 0.000 2.654 476 F HA 0.795 5.323 4.527 0.001 0.000 0.334 476 F C 0.013 175.789 175.800 -0.041 0.000 1.078 476 F CA -0.875 57.128 58.000 0.006 0.000 0.986 476 F CB 1.798 40.798 39.000 0.001 0.000 1.362 476 F HN 0.621 nan 8.300 nan 0.000 0.498 477 A N 0.045 122.963 122.820 0.163 0.000 2.597 477 A HA 0.829 5.149 4.320 0.001 0.000 0.292 477 A C -0.699 176.881 177.584 -0.006 0.000 1.057 477 A CA -0.144 51.907 52.037 0.023 0.000 0.674 477 A CB 1.364 20.374 19.000 0.016 0.000 1.278 477 A HN 1.865 nan 8.150 nan 0.000 0.416 478 G N 0.061 108.825 108.800 -0.061 0.000 2.326 478 G HA2 0.509 4.469 3.960 0.001 0.000 0.413 478 G HA3 0.509 4.469 3.960 0.001 0.000 0.413 478 G C -0.058 174.824 174.900 -0.031 0.000 1.444 478 G CA 0.655 45.777 45.100 0.036 0.000 1.002 478 G HN 2.011 nan 8.290 nan 0.000 0.649 479 E N -0.308 119.983 120.200 0.151 0.000 2.448 479 E HA -0.208 4.143 4.350 0.001 0.000 0.203 479 E C 1.382 178.048 176.600 0.111 0.000 1.046 479 E CA 2.343 58.798 56.400 0.093 0.000 0.871 479 E CB -0.320 29.435 29.700 0.092 0.000 0.790 479 E HN 0.850 nan 8.360 nan 0.000 0.545 480 H N -0.920 118.190 119.070 0.066 0.000 2.755 480 H HA 0.243 4.799 4.556 0.001 0.000 0.273 480 H C 0.434 175.760 175.328 -0.005 0.000 1.055 480 H CA 0.669 56.749 56.048 0.053 0.000 1.191 480 H CB -0.190 29.644 29.762 0.119 0.000 1.536 480 H HN 0.238 nan 8.280 nan 0.000 0.529 481 T N -1.230 113.067 114.554 -0.428 0.000 3.269 481 T HA 0.488 4.838 4.350 0.001 0.000 0.269 481 T C 0.148 174.755 174.700 -0.155 0.000 0.993 481 T CA -0.402 61.510 62.100 -0.314 0.000 0.909 481 T CB -0.567 68.098 68.868 -0.339 0.000 1.115 481 T HN 0.341 nan 8.240 nan 0.000 0.543 482 I N -0.384 120.119 120.570 -0.112 0.000 2.947 482 I HA 0.411 4.582 4.170 0.001 0.000 0.301 482 I C 0.016 176.096 176.117 -0.062 0.000 1.453 482 I CA -1.052 60.206 61.300 -0.071 0.000 0.984 482 I CB 2.244 40.212 38.000 -0.053 0.000 1.333 482 I HN 0.080 nan 8.210 nan 0.000 0.475 483 M N 1.800 121.373 119.600 -0.045 0.000 2.556 483 M HA 0.201 4.682 4.480 0.001 0.000 0.264 483 M C -0.312 175.964 176.300 -0.040 0.000 1.163 483 M CA 0.618 55.891 55.300 -0.045 0.000 1.186 483 M CB 0.418 32.998 32.600 -0.034 0.000 1.321 483 M HN 0.412 nan 8.290 nan 0.000 0.485 484 D N 1.110 121.508 120.400 -0.003 0.000 2.325 484 D HA 0.304 4.944 4.640 0.001 0.000 0.251 484 D C 0.555 176.839 176.300 -0.026 0.000 1.196 484 D CA 0.971 54.997 54.000 0.044 0.000 0.866 484 D CB 0.765 41.638 40.800 0.122 0.000 1.101 484 D HN 0.643 nan 8.370 nan 0.000 0.476 485 G N 2.129 110.851 108.800 -0.131 0.000 2.142 485 G HA2 -0.153 3.807 3.960 0.001 0.000 0.225 485 G HA3 -0.153 3.807 3.960 0.001 0.000 0.225 485 G C 0.481 175.149 174.900 -0.387 0.000 1.015 485 G CA -0.074 44.680 45.100 -0.577 0.000 0.716 485 G HN 0.778 nan 8.290 nan 0.000 0.508 486 A N -0.325 122.361 122.820 -0.222 0.000 2.546 486 A HA 0.635 4.956 4.320 0.001 0.000 0.243 486 A C 2.097 179.571 177.584 -0.183 0.000 1.063 486 A CA 1.900 53.840 52.037 -0.161 0.000 0.757 486 A CB -0.019 18.906 19.000 -0.126 0.000 0.991 486 A HN 2.409 nan 8.150 nan 0.000 0.503 487 G N 0.814 109.540 108.800 -0.123 0.000 2.184 487 G HA2 -0.285 3.675 3.960 0.001 0.000 0.264 487 G HA3 -0.285 3.675 3.960 0.001 0.000 0.264 487 G C 0.401 175.120 174.900 -0.302 0.000 0.975 487 G CA 0.481 45.478 45.100 -0.171 0.000 0.642 487 G HN 1.163 nan 8.290 nan 0.000 0.536 488 C N -0.248 118.903 119.300 -0.248 0.000 2.401 488 C HA 0.817 5.278 4.460 0.001 0.000 0.356 488 C C 2.258 177.164 174.990 -0.141 0.000 1.192 488 C CA 0.140 59.039 59.018 -0.199 0.000 2.028 488 C CB 1.192 28.801 27.740 -0.218 0.000 2.344 488 C HN 0.838 nan 8.230 nan 0.000 0.525 489 A N 0.769 123.560 122.820 -0.048 0.000 1.908 489 A HA -0.178 4.143 4.320 0.001 0.000 0.218 489 A C 1.818 179.502 177.584 0.168 0.000 1.181 489 A CA 2.205 54.248 52.037 0.011 0.000 0.627 489 A CB -0.926 18.037 19.000 -0.062 0.000 0.818 489 A HN 1.084 nan 8.150 nan 0.000 0.445 490 Y N -0.730 119.663 120.300 0.154 0.000 2.352 490 Y HA 0.174 4.724 4.550 0.001 0.000 0.292 490 Y C 2.120 178.204 175.900 0.307 0.000 1.136 490 Y CA 0.586 58.819 58.100 0.222 0.000 1.227 490 Y CB -1.129 37.411 38.460 0.133 0.000 0.991 490 Y HN 0.083 nan 8.280 nan 0.000 0.545 491 G N 0.814 109.440 108.800 -0.289 0.000 2.404 491 G HA2 -0.198 3.763 3.960 0.001 0.000 0.215 491 G HA3 -0.198 3.763 3.960 0.001 0.000 0.215 491 G C 1.844 176.763 174.900 0.032 0.000 1.174 491 G CA 1.174 46.162 45.100 -0.186 0.000 0.780 491 G HN 0.637 nan 8.290 nan 0.000 0.537 492 A N -0.030 122.822 122.820 0.053 0.000 1.902 492 A HA -0.048 4.273 4.320 0.001 0.000 0.217 492 A C 2.129 179.820 177.584 0.178 0.000 1.181 492 A CA 1.620 53.715 52.037 0.095 0.000 0.623 492 A CB -0.780 18.279 19.000 0.098 0.000 0.818 492 A HN 0.571 nan 8.150 nan 0.000 0.443 493 W N 0.950 122.288 121.300 0.064 0.000 2.333 493 W HA -0.250 4.411 4.660 0.001 0.000 0.316 493 W C 2.073 178.648 176.519 0.092 0.000 1.215 493 W CA 2.393 59.800 57.345 0.103 0.000 1.278 493 W CB -0.255 29.304 29.460 0.165 0.000 1.154 493 W HN 0.400 nan 8.180 nan 0.000 0.486 494 E N 0.456 120.828 120.200 0.287 0.000 2.051 494 E HA -0.233 4.117 4.350 0.001 0.000 0.192 494 E C 2.395 178.956 176.600 -0.066 0.000 0.991 494 E CA 2.560 58.976 56.400 0.027 0.000 0.799 494 E CB -0.727 29.124 29.700 0.253 0.000 0.748 494 E HN 0.272 nan 8.360 nan 0.000 0.449 495 S N -0.828 114.869 115.700 -0.005 0.000 2.400 495 S HA -0.123 4.347 4.470 0.001 0.000 0.232 495 S C 2.207 176.767 174.600 -0.067 0.000 1.025 495 S CA 1.204 59.382 58.200 -0.036 0.000 0.993 495 S CB -0.978 62.201 63.200 -0.035 0.000 0.808 495 S HN 0.367 nan 8.310 nan 0.000 0.478 496 G N 1.429 110.176 108.800 -0.089 0.000 2.422 496 G HA2 -0.120 3.840 3.960 0.001 0.000 0.218 496 G HA3 -0.120 3.840 3.960 0.001 0.000 0.218 496 G C 1.565 176.364 174.900 -0.167 0.000 1.140 496 G CA 0.579 45.612 45.100 -0.112 0.000 0.775 496 G HN 0.585 nan 8.290 nan 0.000 0.545 497 R N 0.256 120.606 120.500 -0.250 0.000 2.073 497 R HA 0.108 4.449 4.340 0.001 0.000 0.229 497 R C 2.500 178.709 176.300 -0.152 0.000 1.120 497 R CA 1.044 56.994 56.100 -0.250 0.000 0.967 497 R CB -0.355 29.718 30.300 -0.378 0.000 0.862 497 R HN 0.306 nan 8.270 nan 0.000 0.436 498 R N 0.751 121.179 120.500 -0.120 0.000 2.171 498 R HA -0.214 4.126 4.340 0.001 0.000 0.232 498 R C 1.744 177.999 176.300 -0.076 0.000 1.116 498 R CA 2.279 58.333 56.100 -0.077 0.000 0.901 498 R CB -0.425 29.844 30.300 -0.052 0.000 0.850 498 R HN 0.236 nan 8.270 nan 0.000 0.431 499 E N 0.157 120.316 120.200 -0.068 0.000 2.187 499 E HA -0.236 4.115 4.350 0.001 0.000 0.199 499 E C 1.825 178.365 176.600 -0.100 0.000 1.004 499 E CA 1.396 57.755 56.400 -0.067 0.000 0.813 499 E CB -0.331 29.341 29.700 -0.047 0.000 0.736 499 E HN 0.553 nan 8.360 nan 0.000 0.468 500 A N 0.913 123.668 122.820 -0.108 0.000 1.825 500 A HA -0.164 4.157 4.320 0.001 0.000 0.214 500 A C 2.503 180.019 177.584 -0.113 0.000 1.206 500 A CA 2.165 54.132 52.037 -0.117 0.000 0.609 500 A CB -1.222 17.710 19.000 -0.114 0.000 0.851 500 A HN 0.243 nan 8.150 nan 0.000 0.445 501 T N -0.337 114.157 114.554 -0.099 0.000 2.624 501 T HA -0.293 4.057 4.350 0.001 0.000 0.266 501 T C 1.991 176.634 174.700 -0.095 0.000 1.050 501 T CA 2.129 64.179 62.100 -0.084 0.000 1.163 501 T CB -0.420 68.405 68.868 -0.071 0.000 0.861 501 T HN 0.564 nan 8.240 nan 0.000 0.443 502 R N 0.651 121.090 120.500 -0.100 0.000 2.205 502 R HA -0.136 4.204 4.340 0.001 0.000 0.221 502 R C 2.413 178.605 176.300 -0.181 0.000 1.101 502 R CA 2.323 58.354 56.100 -0.115 0.000 0.869 502 R CB -0.775 29.464 30.300 -0.103 0.000 0.815 502 R HN 0.412 nan 8.270 nan 0.000 0.434 503 I N 1.183 121.594 120.570 -0.266 0.000 2.285 503 I HA -0.378 3.792 4.170 0.001 0.000 0.253 503 I C 2.364 178.298 176.117 -0.305 0.000 1.104 503 I CA 1.651 62.680 61.300 -0.451 0.000 1.372 503 I CB -0.300 37.431 38.000 -0.449 0.000 1.057 503 I HN 0.364 nan 8.210 nan 0.000 0.431 504 S N 0.389 115.978 115.700 -0.184 0.000 2.335 504 S HA -0.178 4.292 4.470 0.001 0.000 0.216 504 S C 1.613 176.155 174.600 -0.097 0.000 1.032 504 S CA 1.321 59.451 58.200 -0.116 0.000 1.000 504 S CB -0.417 62.736 63.200 -0.078 0.000 0.928 504 S HN 0.441 nan 8.310 nan 0.000 0.434 505 D N 1.930 122.278 120.400 -0.087 0.000 2.192 505 D HA -0.158 4.482 4.640 0.001 0.000 0.189 505 D C 1.849 178.113 176.300 -0.060 0.000 1.007 505 D CA 1.129 55.092 54.000 -0.062 0.000 0.859 505 D CB -0.614 40.152 40.800 -0.056 0.000 0.936 505 D HN 0.306 nan 8.370 nan 0.000 0.447 506 L N 0.343 121.513 121.223 -0.088 0.000 1.882 506 L HA -0.165 4.175 4.340 0.001 0.000 0.222 506 L C 2.784 179.629 176.870 -0.041 0.000 1.095 506 L CA 0.714 55.516 54.840 -0.064 0.000 0.794 506 L CB -1.121 40.880 42.059 -0.098 0.000 0.886 506 L HN 0.028 nan 8.230 nan 0.000 0.429 507 L N -0.101 121.089 121.223 -0.054 0.000 2.125 507 L HA -0.415 3.926 4.340 0.001 0.000 0.234 507 L C 2.743 179.611 176.870 -0.003 0.000 1.110 507 L CA 2.116 56.950 54.840 -0.010 0.000 0.832 507 L CB -1.038 41.004 42.059 -0.028 0.000 0.922 507 L HN 0.486 nan 8.230 nan 0.000 0.449 508 K N 0.412 120.801 120.400 -0.018 0.000 2.081 508 K HA -0.270 4.051 4.320 0.001 0.000 0.222 508 K C 1.279 177.880 176.600 0.001 0.000 1.055 508 K CA 1.616 57.898 56.287 -0.008 0.000 0.954 508 K CB -0.475 32.015 32.500 -0.017 0.000 0.732 508 K HN 0.206 nan 8.250 nan 0.000 0.458 509 L N 0.000 121.223 121.223 -0.000 0.000 2.949 509 L HA 0.000 4.341 4.340 0.001 0.000 0.249 509 L CA 0.000 54.843 54.840 0.005 0.000 0.813 509 L CB 0.000 42.065 42.059 0.011 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502