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 1glm_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATLDSWLSNE ATVARTAILN NIGADGAWVS GADSGIVVAS PSTDNPDYFY DATA SEQUENCE TWTRDSGLVI KTLVDLFRNG DTDLLSTIEH YISSQAIIQG VSNPSGDLSS DATA SEQUENCE GXGLGEPKFN VDETAYTGSW GRPQRDGPAL RATAMIGFGQ WLLDNGYTSA DATA SEQUENCE ATEIVWPLVR NDLSYVAQYW NQTGYDLWEE VNGSSFFTIA VQHRALVEGS DATA SEQUENCE AFATAVGSSC SWCDSQAPQI LcYLQSFWTG SYILANFDSS RSGKDTNTLL DATA SEQUENCE GSIHTFDPEA GcDDSTFQPc SPRALANHKE VVDSFRSIYT LNDGLSDSEA DATA SEQUENCE VAVGRYPEDS YYNGNPWFLC TLAAAEQLYD ALYQWDKQGS LEITDVSLDF DATA SEQUENCE FKALYSGAAT GTYSSSSSTY SSIVSAVKTF ADGFVSIVET HAASNGSLSE DATA SEQUENCE QFDKSDGDEL SARDLTWSYA ALLTANNRRN SVVPPSWGET SASSVPGTcA DATA SEQUENCE ATSASGTYSS VTVTSWPSIV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.619 177.584 0.059 0.000 1.274 1 A CA 0.000 52.066 52.037 0.048 0.000 0.836 1 A CB 0.000 19.022 19.000 0.036 0.000 0.831 2 T N -0.222 114.365 114.554 0.054 0.000 2.643 2 T HA -0.109 4.239 4.350 -0.003 0.000 0.264 2 T C 1.893 176.664 174.700 0.119 0.000 1.045 2 T CA 2.375 64.514 62.100 0.065 0.000 1.155 2 T CB -0.524 68.356 68.868 0.020 0.000 0.863 2 T HN 0.655 nan 8.240 nan 0.000 0.420 3 L N 1.350 122.637 121.223 0.106 0.000 1.989 3 L HA -0.062 4.276 4.340 -0.003 0.000 0.211 3 L C 2.141 179.132 176.870 0.201 0.000 1.071 3 L CA 2.459 57.398 54.840 0.164 0.000 0.749 3 L CB -1.104 41.027 42.059 0.120 0.000 0.890 3 L HN 0.350 nan 8.230 nan 0.000 0.431 4 D N -1.644 118.835 120.400 0.132 0.000 2.149 4 D HA -0.205 4.433 4.640 -0.003 0.000 0.198 4 D C 2.335 178.692 176.300 0.095 0.000 0.990 4 D CA 1.441 55.501 54.000 0.099 0.000 0.839 4 D CB -0.092 40.749 40.800 0.068 0.000 0.948 4 D HN 0.387 nan 8.370 nan 0.000 0.460 5 S N -0.965 114.802 115.700 0.111 0.000 2.357 5 S HA -0.160 4.309 4.470 -0.003 0.000 0.221 5 S C 1.741 176.415 174.600 0.122 0.000 1.031 5 S CA 0.905 59.162 58.200 0.095 0.000 0.982 5 S CB -0.476 62.778 63.200 0.091 0.000 0.853 5 S HN 0.543 nan 8.310 nan 0.000 0.458 6 W N 1.822 123.127 121.300 0.008 0.000 2.363 6 W HA 0.019 4.677 4.660 -0.003 0.000 0.296 6 W C 1.801 178.328 176.519 0.014 0.000 1.212 6 W CA 1.164 58.513 57.345 0.008 0.000 1.260 6 W CB -0.398 29.064 29.460 0.004 0.000 1.131 6 W HN 0.286 nan 8.180 nan 0.000 0.530 7 L N 0.040 121.325 121.223 0.104 0.000 2.042 7 L HA -0.281 4.057 4.340 -0.003 0.000 0.210 7 L C 2.646 179.416 176.870 -0.167 0.000 1.076 7 L CA 1.823 56.626 54.840 -0.062 0.000 0.749 7 L CB -0.971 41.151 42.059 0.105 0.000 0.893 7 L HN -0.110 nan 8.230 nan 0.000 0.432 8 S N -0.614 115.029 115.700 -0.096 0.000 2.368 8 S HA -0.176 4.293 4.470 -0.003 0.000 0.224 8 S C 1.767 176.281 174.600 -0.143 0.000 1.029 8 S CA 1.193 59.338 58.200 -0.091 0.000 0.988 8 S CB -0.357 62.816 63.200 -0.045 0.000 0.838 8 S HN 0.436 nan 8.310 nan 0.000 0.462 9 N N 0.782 119.370 118.700 -0.187 0.000 2.106 9 N HA -0.144 4.594 4.740 -0.003 0.000 0.188 9 N C 1.837 177.157 175.510 -0.318 0.000 1.029 9 N CA 1.223 54.143 53.050 -0.217 0.000 0.848 9 N CB -0.113 38.259 38.487 -0.191 0.000 1.007 9 N HN 0.218 nan 8.380 nan 0.000 0.423 10 E N 1.017 120.879 120.200 -0.563 0.000 2.077 10 E HA -0.050 4.298 4.350 -0.003 0.000 0.193 10 E C 1.760 178.177 176.600 -0.305 0.000 0.989 10 E CA 1.288 57.320 56.400 -0.613 0.000 0.800 10 E CB -0.452 28.564 29.700 -1.140 0.000 0.746 10 E HN 0.400 nan 8.360 nan 0.000 0.452 11 A N -0.525 122.153 122.820 -0.236 0.000 1.940 11 A HA -0.214 4.105 4.320 -0.003 0.000 0.219 11 A C 2.397 179.915 177.584 -0.110 0.000 1.176 11 A CA 2.199 54.162 52.037 -0.123 0.000 0.631 11 A CB -0.974 17.975 19.000 -0.086 0.000 0.814 11 A HN 0.360 nan 8.150 nan 0.000 0.446 12 T N -0.570 113.906 114.554 -0.129 0.000 2.812 12 T HA -0.074 4.275 4.350 -0.003 0.000 0.264 12 T C 1.894 176.513 174.700 -0.134 0.000 1.042 12 T CA 1.439 63.470 62.100 -0.116 0.000 1.140 12 T CB -0.368 68.438 68.868 -0.104 0.000 0.870 12 T HN 0.178 nan 8.240 nan 0.000 0.445 13 V N 1.933 121.760 119.914 -0.146 0.000 2.295 13 V HA -0.159 3.960 4.120 -0.003 0.000 0.246 13 V C 2.951 178.913 176.094 -0.220 0.000 1.049 13 V CA 1.677 63.886 62.300 -0.152 0.000 1.024 13 V CB -1.339 30.419 31.823 -0.107 0.000 0.648 13 V HN 0.516 nan 8.190 nan 0.000 0.447 14 A N 0.139 122.875 122.820 -0.140 0.000 1.892 14 A HA -0.322 3.996 4.320 -0.003 0.000 0.218 14 A C 2.440 179.921 177.584 -0.173 0.000 1.188 14 A CA 2.463 54.448 52.037 -0.088 0.000 0.631 14 A CB -0.668 18.408 19.000 0.126 0.000 0.822 14 A HN 0.488 nan 8.150 nan 0.000 0.447 15 R N -1.090 119.333 120.500 -0.129 0.000 2.073 15 R HA -0.124 4.215 4.340 -0.003 0.000 0.234 15 R C 2.206 178.391 176.300 -0.192 0.000 1.134 15 R CA 2.073 58.099 56.100 -0.124 0.000 0.952 15 R CB -0.637 29.606 30.300 -0.095 0.000 0.850 15 R HN 0.525 nan 8.270 nan 0.000 0.433 16 T N 0.736 115.151 114.554 -0.233 0.000 2.708 16 T HA -0.095 4.254 4.350 -0.003 0.000 0.266 16 T C 1.847 176.289 174.700 -0.431 0.000 1.037 16 T CA 1.413 63.339 62.100 -0.291 0.000 1.146 16 T CB -0.341 68.373 68.868 -0.258 0.000 0.865 16 T HN 0.457 nan 8.240 nan 0.000 0.435 17 A N 1.013 123.515 122.820 -0.530 0.000 1.940 17 A HA -0.054 4.264 4.320 -0.003 0.000 0.219 17 A C 2.274 179.609 177.584 -0.415 0.000 1.176 17 A CA 1.266 52.899 52.037 -0.674 0.000 0.631 17 A CB -0.839 17.575 19.000 -0.976 0.000 0.814 17 A HN 0.535 nan 8.150 nan 0.000 0.446 18 I N -0.453 119.942 120.570 -0.291 0.000 2.142 18 I HA -0.279 3.889 4.170 -0.003 0.000 0.240 18 I C 2.354 178.396 176.117 -0.125 0.000 1.078 18 I CA 1.326 62.569 61.300 -0.095 0.000 1.343 18 I CB -0.407 37.572 38.000 -0.035 0.000 1.046 18 I HN 0.280 nan 8.210 nan 0.000 0.405 19 L N 0.584 121.695 121.223 -0.186 0.000 2.127 19 L HA -0.238 4.100 4.340 -0.003 0.000 0.211 19 L C 2.124 178.869 176.870 -0.208 0.000 1.089 19 L CA 1.143 55.876 54.840 -0.178 0.000 0.757 19 L CB -0.800 41.149 42.059 -0.184 0.000 0.899 19 L HN 0.338 nan 8.230 nan 0.000 0.434 20 N N 0.253 118.740 118.700 -0.355 0.000 2.381 20 N HA -0.144 4.595 4.740 -0.003 0.000 0.182 20 N C 0.958 176.388 175.510 -0.133 0.000 1.025 20 N CA 1.071 53.834 53.050 -0.478 0.000 0.888 20 N CB -0.377 37.321 38.487 -1.315 0.000 0.965 20 N HN 0.509 nan 8.380 nan 0.000 0.438 21 N N -0.330 118.370 118.700 -0.000 0.000 2.251 21 N HA 0.235 4.973 4.740 -0.003 0.000 0.217 21 N C -0.610 174.953 175.510 0.088 0.000 1.124 21 N CA -0.063 53.085 53.050 0.163 0.000 0.843 21 N CB 0.906 39.556 38.487 0.272 0.000 1.024 21 N HN 0.088 nan 8.380 nan 0.000 0.501 22 I N 0.443 121.027 120.570 0.024 0.000 2.436 22 I HA 0.330 4.499 4.170 -0.003 0.000 0.289 22 I C 0.750 176.872 176.117 0.009 0.000 1.010 22 I CA -1.008 60.300 61.300 0.014 0.000 1.098 22 I CB 1.800 39.793 38.000 -0.012 0.000 1.266 22 I HN -0.092 nan 8.210 nan 0.000 0.434 23 G N 3.200 112.006 108.800 0.011 0.000 2.606 23 G HA2 0.419 4.377 3.960 -0.003 0.000 0.252 23 G HA3 0.419 4.377 3.960 -0.003 0.000 0.252 23 G C 0.484 175.380 174.900 -0.006 0.000 1.206 23 G CA -0.206 44.894 45.100 0.000 0.000 0.861 23 G HN 0.803 nan 8.290 nan 0.000 0.561 24 A N -0.320 122.478 122.820 -0.037 0.000 2.423 24 A HA 0.336 4.655 4.320 -0.003 0.000 0.246 24 A C 1.139 178.712 177.584 -0.019 0.000 1.278 24 A CA 0.202 52.220 52.037 -0.032 0.000 0.903 24 A CB 0.287 19.252 19.000 -0.058 0.000 0.997 24 A HN 0.450 nan 8.150 nan 0.000 0.510 25 D N -0.347 120.042 120.400 -0.017 0.000 2.441 25 D HA 0.156 4.794 4.640 -0.003 0.000 0.210 25 D C 1.076 177.356 176.300 -0.033 0.000 1.102 25 D CA 0.450 54.437 54.000 -0.022 0.000 0.840 25 D CB 0.441 41.226 40.800 -0.024 0.000 0.990 25 D HN 0.337 nan 8.370 nan 0.000 0.505 26 G N 0.501 109.285 108.800 -0.026 0.000 2.299 26 G HA2 0.269 4.227 3.960 -0.003 0.000 0.256 26 G HA3 0.269 4.227 3.960 -0.003 0.000 0.256 26 G C 1.225 176.106 174.900 -0.032 0.000 1.259 26 G CA 0.294 45.362 45.100 -0.055 0.000 0.943 26 G HN 0.122 nan 8.290 nan 0.000 0.479 27 A N 3.235 125.985 122.820 -0.116 0.000 1.978 27 A HA -0.078 4.241 4.320 -0.003 0.000 0.220 27 A C 1.707 179.365 177.584 0.124 0.000 1.170 27 A CA 1.124 53.127 52.037 -0.058 0.000 0.636 27 A CB -0.257 18.637 19.000 -0.176 0.000 0.810 27 A HN 0.777 nan 8.150 nan 0.000 0.448 28 W N -0.709 120.614 121.300 0.039 0.000 3.197 28 W HA 0.271 4.929 4.660 -0.003 0.000 0.274 28 W C 0.854 177.451 176.519 0.130 0.000 1.297 28 W CA 0.682 58.065 57.345 0.063 0.000 1.662 28 W CB -0.456 29.041 29.460 0.063 0.000 1.106 28 W HN 0.297 nan 8.180 nan 0.000 0.663 29 V N -1.651 118.471 119.914 0.348 0.000 2.727 29 V HA 0.356 4.474 4.120 -0.003 0.000 0.336 29 V C 0.368 176.647 176.094 0.309 0.000 1.228 29 V CA -0.775 61.771 62.300 0.410 0.000 1.270 29 V CB -0.056 31.963 31.823 0.327 0.000 1.486 29 V HN -0.108 nan 8.190 nan 0.000 0.638 30 S N 1.529 117.370 115.700 0.235 0.000 2.544 30 S HA 0.473 4.942 4.470 -0.003 0.000 0.290 30 S C 1.530 176.260 174.600 0.217 0.000 1.276 30 S CA 1.582 59.877 58.200 0.159 0.000 1.075 30 S CB 0.264 63.526 63.200 0.102 0.000 0.849 30 S HN 2.090 nan 8.310 nan 0.000 0.494 31 G N 2.975 111.864 108.800 0.149 0.000 2.428 31 G HA2 -0.053 3.905 3.960 -0.003 0.000 0.199 31 G HA3 -0.053 3.905 3.960 -0.003 0.000 0.199 31 G C 0.184 175.128 174.900 0.073 0.000 1.005 31 G CA -0.062 45.128 45.100 0.151 0.000 0.671 31 G HN 1.340 nan 8.290 nan 0.000 0.485 32 A N 0.747 123.592 122.820 0.043 0.000 2.401 32 A HA 0.550 4.869 4.320 -0.003 0.000 0.259 32 A C 0.375 177.940 177.584 -0.031 0.000 1.103 32 A CA 0.534 52.541 52.037 -0.049 0.000 0.789 32 A CB 0.376 19.332 19.000 -0.073 0.000 1.035 32 A HN 0.318 nan 8.150 nan 0.000 0.491 33 D N 0.819 121.189 120.400 -0.050 0.000 2.384 33 D HA 0.139 4.777 4.640 -0.003 0.000 0.244 33 D C 0.457 176.722 176.300 -0.058 0.000 1.251 33 D CA 0.301 54.268 54.000 -0.054 0.000 0.961 33 D CB 0.942 41.705 40.800 -0.061 0.000 1.116 33 D HN 0.427 nan 8.370 nan 0.000 0.484 34 S N -0.862 114.788 115.700 -0.084 0.000 2.498 34 S HA 0.393 4.861 4.470 -0.003 0.000 0.281 34 S C 0.959 175.532 174.600 -0.046 0.000 1.265 34 S CA 0.652 58.782 58.200 -0.116 0.000 1.071 34 S CB -0.251 62.809 63.200 -0.234 0.000 0.894 34 S HN 0.637 nan 8.310 nan 0.000 0.491 35 G N 4.354 113.174 108.800 0.034 0.000 2.159 35 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.256 35 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.256 35 G C 0.074 175.028 174.900 0.090 0.000 0.977 35 G CA -0.051 45.108 45.100 0.100 0.000 0.652 35 G HN 0.653 nan 8.290 nan 0.000 0.531 36 I N 1.744 122.333 120.570 0.033 0.000 2.337 36 I HA 0.288 4.456 4.170 -0.003 0.000 0.291 36 I C 0.849 176.990 176.117 0.040 0.000 1.046 36 I CA -0.707 60.607 61.300 0.022 0.000 1.324 36 I CB 1.071 39.049 38.000 -0.037 0.000 1.409 36 I HN -0.107 nan 8.210 nan 0.000 0.494 37 V N 8.123 128.084 119.914 0.078 0.000 2.408 37 V HA 0.197 4.316 4.120 -0.003 0.000 0.267 37 V C 0.439 176.592 176.094 0.099 0.000 1.047 37 V CA -0.544 61.802 62.300 0.076 0.000 0.937 37 V CB 1.460 33.320 31.823 0.062 0.000 0.999 37 V HN 0.392 nan 8.190 nan 0.000 0.472 38 V N 4.750 124.722 119.914 0.096 0.000 2.509 38 V HA 0.383 4.501 4.120 -0.003 0.000 0.284 38 V C 1.333 177.573 176.094 0.244 0.000 1.047 38 V CA 0.303 62.671 62.300 0.112 0.000 0.952 38 V CB 1.236 33.056 31.823 -0.005 0.000 0.988 38 V HN 0.971 nan 8.190 nan 0.000 0.469 39 A N 3.454 126.489 122.820 0.359 0.000 1.908 39 A HA 0.056 4.374 4.320 -0.003 0.000 0.218 39 A C 1.134 178.954 177.584 0.393 0.000 1.181 39 A CA 1.829 54.095 52.037 0.381 0.000 0.627 39 A CB -0.078 19.157 19.000 0.390 0.000 0.818 39 A HN 1.058 nan 8.150 nan 0.000 0.445 40 S N -3.077 112.875 115.700 0.420 0.000 2.586 40 S HA 0.434 4.903 4.470 -0.003 0.000 0.277 40 S C -2.874 171.965 174.600 0.399 0.000 1.131 40 S CA -0.350 58.071 58.200 0.369 0.000 0.848 40 S CB 1.530 64.923 63.200 0.323 0.000 1.091 40 S HN -0.058 nan 8.310 nan 0.000 0.453 41 P HA 0.095 nan 4.420 nan 0.000 0.242 41 P C 0.394 177.767 177.300 0.121 0.000 1.197 41 P CA 0.248 63.527 63.100 0.298 0.000 0.765 41 P CB -0.207 31.576 31.700 0.138 0.000 0.936 42 S N 0.719 116.486 115.700 0.112 0.000 2.443 42 S HA 0.144 4.612 4.470 -0.003 0.000 0.284 42 S C 1.358 176.007 174.600 0.082 0.000 1.206 42 S CA 0.033 58.246 58.200 0.022 0.000 1.074 42 S CB -0.325 62.848 63.200 -0.044 0.000 0.963 42 S HN 0.245 nan 8.310 nan 0.000 0.501 43 T N 1.042 115.566 114.554 -0.049 0.000 3.044 43 T HA 0.277 4.625 4.350 -0.003 0.000 0.250 43 T C -0.063 174.647 174.700 0.017 0.000 1.081 43 T CA -0.063 61.999 62.100 -0.062 0.000 1.040 43 T CB 0.044 68.740 68.868 -0.286 0.000 0.962 43 T HN 0.551 nan 8.240 nan 0.000 0.506 44 D N 1.888 122.299 120.400 0.018 0.000 2.756 44 D HA 0.252 4.890 4.640 -0.003 0.000 0.226 44 D C -0.823 175.502 176.300 0.043 0.000 1.186 44 D CA -0.637 53.390 54.000 0.045 0.000 0.845 44 D CB 1.354 42.161 40.800 0.013 0.000 1.610 44 D HN 0.069 nan 8.370 nan 0.000 0.465 45 N N 1.571 120.324 118.700 0.088 0.000 2.684 45 N HA -0.121 4.618 4.740 -0.003 0.000 0.284 45 N C -2.386 173.150 175.510 0.045 0.000 1.067 45 N CA 0.365 53.477 53.050 0.102 0.000 0.791 45 N CB -0.868 37.663 38.487 0.073 0.000 0.934 45 N HN 0.327 nan 8.380 nan 0.000 0.566 46 P HA 0.265 nan 4.420 nan 0.000 0.283 46 P C -0.575 176.846 177.300 0.201 0.000 1.271 46 P CA -0.343 62.867 63.100 0.183 0.000 0.841 46 P CB 1.005 32.834 31.700 0.214 0.000 1.122 47 D N 0.518 121.156 120.400 0.397 0.000 2.380 47 D HA 0.110 4.749 4.640 -0.003 0.000 0.230 47 D C -0.750 176.024 176.300 0.790 0.000 1.154 47 D CA -0.168 54.094 54.000 0.436 0.000 0.859 47 D CB -0.193 40.828 40.800 0.367 0.000 1.045 47 D HN 0.146 nan 8.370 nan 0.000 0.495 48 Y N 2.926 123.468 120.300 0.404 0.000 2.612 48 Y HA 0.227 4.775 4.550 -0.003 0.000 0.250 48 Y C 0.224 176.427 175.900 0.505 0.000 1.175 48 Y CA -0.989 57.450 58.100 0.565 0.000 1.205 48 Y CB -0.363 38.337 38.460 0.400 0.000 1.201 48 Y HN 0.365 nan 8.280 nan 0.000 0.532 49 F N 1.823 121.868 119.950 0.158 0.000 2.678 49 F HA 0.293 4.818 4.527 -0.004 0.000 0.358 49 F C -1.085 174.405 175.800 -0.516 0.000 1.256 49 F CA -0.391 57.538 58.000 -0.117 0.000 1.278 49 F CB -0.943 37.953 39.000 -0.173 0.000 1.681 49 F HN -0.108 nan 8.300 nan 0.000 0.661 50 Y N -0.683 119.578 120.300 -0.065 0.000 2.705 50 Y HA 0.374 4.922 4.550 -0.004 0.000 0.332 50 Y C -0.140 175.670 175.900 -0.150 0.000 1.221 50 Y CA -1.411 56.515 58.100 -0.291 0.000 1.059 50 Y CB 1.429 39.443 38.460 -0.743 0.000 1.298 50 Y HN -0.045 nan 8.280 nan 0.000 0.459 51 T N 1.900 116.443 114.554 -0.018 0.000 2.792 51 T HA 0.399 4.747 4.350 -0.003 0.000 0.280 51 T C -1.493 173.253 174.700 0.077 0.000 0.990 51 T CA -0.333 61.834 62.100 0.112 0.000 0.960 51 T CB 0.374 69.285 68.868 0.070 0.000 0.939 51 T HN 0.462 nan 8.240 nan 0.000 0.439 52 W N 3.721 125.055 121.300 0.056 0.000 2.520 52 W HA 0.230 4.889 4.660 -0.001 0.000 0.323 52 W C 1.212 177.768 176.519 0.060 0.000 1.062 52 W CA -0.762 56.604 57.345 0.035 0.000 1.215 52 W CB 1.863 31.320 29.460 -0.005 0.000 1.340 52 W HN 0.699 nan 8.180 nan 0.000 0.516 53 T N 1.628 116.350 114.554 0.279 0.000 2.788 53 T HA -0.241 4.107 4.350 -0.003 0.000 0.268 53 T C 1.977 176.756 174.700 0.132 0.000 1.044 53 T CA 1.333 63.552 62.100 0.198 0.000 1.139 53 T CB -0.026 68.947 68.868 0.176 0.000 0.867 53 T HN 0.407 nan 8.240 nan 0.000 0.454 54 R N 1.218 121.789 120.500 0.118 0.000 2.061 54 R HA -0.148 4.190 4.340 -0.003 0.000 0.230 54 R C 2.203 178.391 176.300 -0.187 0.000 1.140 54 R CA 2.185 58.265 56.100 -0.032 0.000 0.940 54 R CB -0.644 29.623 30.300 -0.054 0.000 0.839 54 R HN 0.282 nan 8.270 nan 0.000 0.429 55 D N 0.003 120.287 120.400 -0.192 0.000 2.126 55 D HA -0.166 4.472 4.640 -0.003 0.000 0.190 55 D C 1.814 178.015 176.300 -0.165 0.000 1.001 55 D CA 2.441 56.270 54.000 -0.285 0.000 0.841 55 D CB -0.109 40.647 40.800 -0.073 0.000 0.949 55 D HN 0.272 nan 8.370 nan 0.000 0.446 56 S N -0.619 115.074 115.700 -0.012 0.000 2.370 56 S HA -0.100 4.369 4.470 -0.003 0.000 0.226 56 S C 2.122 176.621 174.600 -0.169 0.000 1.033 56 S CA 1.171 59.356 58.200 -0.026 0.000 1.011 56 S CB -0.976 62.334 63.200 0.183 0.000 0.852 56 S HN 0.511 nan 8.310 nan 0.000 0.457 57 G N 1.975 110.722 108.800 -0.088 0.000 2.446 57 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.217 57 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.217 57 G C 1.353 176.138 174.900 -0.192 0.000 1.168 57 G CA 0.853 45.891 45.100 -0.105 0.000 0.771 57 G HN 0.433 nan 8.290 nan 0.000 0.551 58 L N 0.044 121.117 121.223 -0.249 0.000 2.017 58 L HA -0.086 4.252 4.340 -0.003 0.000 0.208 58 L C 3.047 179.810 176.870 -0.179 0.000 1.073 58 L CA 0.569 55.243 54.840 -0.277 0.000 0.745 58 L CB -0.629 41.127 42.059 -0.505 0.000 0.894 58 L HN 0.103 nan 8.230 nan 0.000 0.432 59 V N 0.087 119.887 119.914 -0.189 0.000 2.261 59 V HA -0.291 3.827 4.120 -0.003 0.000 0.246 59 V C 2.420 178.411 176.094 -0.173 0.000 1.047 59 V CA 1.550 63.779 62.300 -0.118 0.000 1.015 59 V CB -0.392 31.383 31.823 -0.080 0.000 0.642 59 V HN 0.288 nan 8.190 nan 0.000 0.446 60 I N 0.353 120.733 120.570 -0.318 0.000 2.286 60 I HA -0.194 3.974 4.170 -0.003 0.000 0.248 60 I C 2.460 178.425 176.117 -0.255 0.000 1.115 60 I CA 1.668 62.712 61.300 -0.427 0.000 1.392 60 I CB -1.143 36.284 38.000 -0.955 0.000 1.065 60 I HN 0.370 nan 8.210 nan 0.000 0.418 61 K N 1.464 121.760 120.400 -0.175 0.000 2.097 61 K HA -0.133 4.186 4.320 -0.003 0.000 0.206 61 K C 1.936 178.527 176.600 -0.015 0.000 1.049 61 K CA 1.882 58.129 56.287 -0.067 0.000 0.933 61 K CB -0.520 31.959 32.500 -0.034 0.000 0.717 61 K HN 0.237 nan 8.250 nan 0.000 0.442 62 T N 1.436 115.982 114.554 -0.012 0.000 2.777 62 T HA -0.059 4.289 4.350 -0.003 0.000 0.266 62 T C 1.699 176.402 174.700 0.004 0.000 1.040 62 T CA 1.469 63.588 62.100 0.032 0.000 1.141 62 T CB -0.189 68.717 68.868 0.064 0.000 0.868 62 T HN 0.120 nan 8.240 nan 0.000 0.444 63 L N 0.820 122.012 121.223 -0.052 0.000 2.093 63 L HA -0.063 4.276 4.340 -0.003 0.000 0.208 63 L C 2.672 179.523 176.870 -0.031 0.000 1.085 63 L CA 0.879 55.677 54.840 -0.070 0.000 0.755 63 L CB -0.783 41.187 42.059 -0.148 0.000 0.904 63 L HN 0.163 nan 8.230 nan 0.000 0.435 64 V N -0.148 119.744 119.914 -0.036 0.000 2.407 64 V HA -0.268 3.850 4.120 -0.003 0.000 0.248 64 V C 2.081 178.260 176.094 0.142 0.000 1.055 64 V CA 1.810 64.147 62.300 0.063 0.000 1.049 64 V CB -0.520 31.339 31.823 0.059 0.000 0.662 64 V HN 0.419 nan 8.190 nan 0.000 0.455 65 D N 0.161 120.615 120.400 0.091 0.000 2.117 65 D HA -0.095 4.544 4.640 -0.003 0.000 0.198 65 D C 2.170 178.512 176.300 0.070 0.000 0.982 65 D CA 1.107 55.160 54.000 0.089 0.000 0.828 65 D CB -0.237 40.611 40.800 0.081 0.000 0.967 65 D HN 0.330 nan 8.370 nan 0.000 0.464 66 L N -0.203 121.055 121.223 0.059 0.000 2.046 66 L HA -0.130 4.208 4.340 -0.003 0.000 0.208 66 L C 2.397 179.287 176.870 0.034 0.000 1.077 66 L CA 0.797 55.659 54.840 0.036 0.000 0.747 66 L CB -0.524 41.549 42.059 0.023 0.000 0.896 66 L HN -0.013 nan 8.230 nan 0.000 0.432 67 F N 1.338 121.235 119.950 -0.088 0.000 2.095 67 F HA -0.233 4.293 4.527 -0.002 0.000 0.298 67 F C 2.687 178.421 175.800 -0.110 0.000 1.104 67 F CA 1.585 59.501 58.000 -0.141 0.000 1.232 67 F CB -0.252 38.615 39.000 -0.223 0.000 0.987 67 F HN -0.155 nan 8.300 nan 0.000 0.475 68 R N 0.076 120.491 120.500 -0.142 0.000 2.193 68 R HA -0.112 4.227 4.340 -0.003 0.000 0.229 68 R C 1.041 177.296 176.300 -0.074 0.000 1.110 68 R CA 1.146 57.181 56.100 -0.109 0.000 0.988 68 R CB -0.434 29.947 30.300 0.135 0.000 0.871 68 R HN 0.322 nan 8.270 nan 0.000 0.458 69 N N -0.740 117.922 118.700 -0.064 0.000 2.314 69 N HA 0.065 4.803 4.740 -0.003 0.000 0.200 69 N C 0.717 176.186 175.510 -0.068 0.000 1.135 69 N CA 0.880 53.908 53.050 -0.036 0.000 0.835 69 N CB 1.507 39.993 38.487 -0.003 0.000 0.989 69 N HN 0.414 nan 8.380 nan 0.000 0.478 70 G N 0.292 109.005 108.800 -0.143 0.000 2.255 70 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.196 70 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.196 70 G C -0.149 174.678 174.900 -0.122 0.000 0.998 70 G CA -0.319 44.704 45.100 -0.128 0.000 0.656 70 G HN 0.295 nan 8.290 nan 0.000 0.490 71 D N 2.320 122.660 120.400 -0.101 0.000 2.608 71 D HA 0.343 4.982 4.640 -0.003 0.000 0.224 71 D C 2.150 178.463 176.300 0.022 0.000 1.123 71 D CA 0.739 54.720 54.000 -0.032 0.000 1.030 71 D CB 0.082 40.879 40.800 -0.005 0.000 1.093 71 D HN 0.399 nan 8.370 nan 0.000 0.497 72 T N -1.472 113.067 114.554 -0.026 0.000 2.929 72 T HA -0.157 4.192 4.350 -0.003 0.000 0.271 72 T C 1.238 176.030 174.700 0.154 0.000 1.085 72 T CA 0.611 62.751 62.100 0.066 0.000 1.125 72 T CB 0.116 68.981 68.868 -0.005 0.000 0.874 72 T HN 0.051 nan 8.240 nan 0.000 0.494 73 D N 1.364 121.795 120.400 0.052 0.000 2.309 73 D HA 0.036 4.674 4.640 -0.003 0.000 0.212 73 D C 1.671 177.934 176.300 -0.061 0.000 0.968 73 D CA 0.546 54.540 54.000 -0.010 0.000 0.882 73 D CB -0.170 40.611 40.800 -0.032 0.000 0.918 73 D HN 0.464 nan 8.370 nan 0.000 0.503 74 L N 0.245 121.447 121.223 -0.036 0.000 2.599 74 L HA 0.002 4.340 4.340 -0.003 0.000 0.230 74 L C 2.081 178.700 176.870 -0.418 0.000 1.141 74 L CA -0.213 54.520 54.840 -0.179 0.000 0.877 74 L CB -0.102 41.888 42.059 -0.114 0.000 1.009 74 L HN 0.008 nan 8.230 nan 0.000 0.447 75 L N 0.467 121.431 121.223 -0.432 0.000 1.990 75 L HA -0.287 4.051 4.340 -0.003 0.000 0.213 75 L C 2.832 179.273 176.870 -0.715 0.000 1.072 75 L CA 2.441 56.848 54.840 -0.722 0.000 0.755 75 L CB -0.568 41.246 42.059 -0.409 0.000 0.889 75 L HN 0.430 nan 8.230 nan 0.000 0.432 76 S N -2.536 112.828 115.700 -0.560 0.000 2.382 76 S HA -0.207 4.262 4.470 -0.003 0.000 0.228 76 S C 1.871 175.861 174.600 -1.017 0.000 1.027 76 S CA 1.589 59.343 58.200 -0.744 0.000 0.991 76 S CB -1.239 61.672 63.200 -0.483 0.000 0.823 76 S HN 0.586 nan 8.310 nan 0.000 0.469 77 T N 2.936 117.095 114.554 -0.658 0.000 2.652 77 T HA 0.030 4.379 4.350 -0.003 0.000 0.267 77 T C 1.754 176.161 174.700 -0.487 0.000 1.039 77 T CA 1.757 63.569 62.100 -0.480 0.000 1.153 77 T CB -0.557 68.125 68.868 -0.310 0.000 0.863 77 T HN 0.444 nan 8.240 nan 0.000 0.428 78 I N 0.945 121.130 120.570 -0.641 0.000 2.179 78 I HA -0.167 4.001 4.170 -0.003 0.000 0.242 78 I C 2.665 178.348 176.117 -0.723 0.000 1.088 78 I CA 1.434 62.296 61.300 -0.729 0.000 1.357 78 I CB -0.433 36.884 38.000 -1.139 0.000 1.051 78 I HN 0.291 nan 8.210 nan 0.000 0.409 79 E N 0.007 119.631 120.200 -0.960 0.000 2.085 79 E HA -0.258 4.091 4.350 -0.003 0.000 0.194 79 E C 2.098 178.449 176.600 -0.416 0.000 0.994 79 E CA 1.583 57.358 56.400 -1.040 0.000 0.801 79 E CB -0.288 28.554 29.700 -1.431 0.000 0.743 79 E HN 0.664 nan 8.360 nan 0.000 0.453 80 H N -1.259 117.615 119.070 -0.326 0.000 2.387 80 H HA -0.169 4.385 4.556 -0.002 0.000 0.299 80 H C 1.975 177.261 175.328 -0.070 0.000 1.090 80 H CA 1.115 57.077 56.048 -0.144 0.000 1.332 80 H CB -0.101 29.585 29.762 -0.127 0.000 1.386 80 H HN 0.208 nan 8.280 nan 0.000 0.516 81 Y N 1.769 122.014 120.300 -0.091 0.000 2.097 81 Y HA -0.254 4.295 4.550 -0.002 0.000 0.282 81 Y C 2.242 178.119 175.900 -0.038 0.000 1.152 81 Y CA 1.245 59.290 58.100 -0.093 0.000 1.136 81 Y CB -0.380 37.979 38.460 -0.169 0.000 0.975 81 Y HN 0.064 nan 8.280 nan 0.000 0.498 82 I N -0.370 120.136 120.570 -0.106 0.000 2.163 82 I HA -0.314 3.854 4.170 -0.003 0.000 0.243 82 I C 2.457 178.577 176.117 0.006 0.000 1.085 82 I CA 1.792 63.069 61.300 -0.038 0.000 1.347 82 I CB -1.672 36.535 38.000 0.345 0.000 1.044 82 I HN 0.228 nan 8.210 nan 0.000 0.408 83 S N 1.156 116.952 115.700 0.160 0.000 2.370 83 S HA -0.171 4.297 4.470 -0.003 0.000 0.226 83 S C 2.178 176.761 174.600 -0.029 0.000 1.033 83 S CA 1.844 60.126 58.200 0.136 0.000 1.011 83 S CB -0.357 62.986 63.200 0.238 0.000 0.852 83 S HN 0.679 nan 8.310 nan 0.000 0.457 84 S N 1.328 116.971 115.700 -0.095 0.000 2.402 84 S HA -0.094 4.375 4.470 -0.003 0.000 0.229 84 S C 1.757 176.212 174.600 -0.241 0.000 1.021 84 S CA 0.661 58.767 58.200 -0.157 0.000 0.974 84 S CB -0.351 62.763 63.200 -0.143 0.000 0.800 84 S HN 0.363 nan 8.310 nan 0.000 0.484 85 Q N 1.203 120.808 119.800 -0.325 0.000 2.245 85 Q HA 0.239 4.577 4.340 -0.003 0.000 0.201 85 Q C 2.552 178.422 176.000 -0.218 0.000 0.955 85 Q CA 1.226 56.825 55.803 -0.339 0.000 0.870 85 Q CB -0.894 27.557 28.738 -0.478 0.000 0.945 85 Q HN 0.732 nan 8.270 nan 0.000 0.461 86 A N 1.042 123.769 122.820 -0.156 0.000 1.908 86 A HA -0.165 4.153 4.320 -0.003 0.000 0.218 86 A C 2.149 179.664 177.584 -0.115 0.000 1.181 86 A CA 1.194 53.167 52.037 -0.107 0.000 0.627 86 A CB -0.570 18.385 19.000 -0.075 0.000 0.818 86 A HN 0.292 nan 8.150 nan 0.000 0.445 87 I N -0.352 120.137 120.570 -0.134 0.000 2.193 87 I HA -0.169 3.999 4.170 -0.003 0.000 0.240 87 I C 2.206 178.209 176.117 -0.189 0.000 1.084 87 I CA 0.680 61.898 61.300 -0.137 0.000 1.365 87 I CB -0.269 37.656 38.000 -0.126 0.000 1.064 87 I HN 0.205 nan 8.210 nan 0.000 0.410 88 I N 0.832 121.231 120.570 -0.284 0.000 2.194 88 I HA -0.347 3.822 4.170 -0.003 0.000 0.246 88 I C 2.580 178.500 176.117 -0.327 0.000 1.093 88 I CA 1.805 62.827 61.300 -0.464 0.000 1.355 88 I CB -1.215 36.368 38.000 -0.695 0.000 1.046 88 I HN 0.437 nan 8.210 nan 0.000 0.413 89 Q N 0.023 119.696 119.800 -0.212 0.000 2.152 89 Q HA -0.197 4.142 4.340 -0.003 0.000 0.206 89 Q C 2.113 178.069 176.000 -0.072 0.000 0.985 89 Q CA 1.748 57.483 55.803 -0.113 0.000 0.863 89 Q CB -0.410 28.283 28.738 -0.075 0.000 0.904 89 Q HN 0.645 nan 8.270 nan 0.000 0.422 90 G N -0.204 108.547 108.800 -0.082 0.000 2.880 90 G HA2 0.094 4.052 3.960 -0.003 0.000 0.209 90 G HA3 0.094 4.052 3.960 -0.003 0.000 0.209 90 G C 0.427 175.301 174.900 -0.043 0.000 1.157 90 G CA -0.181 44.886 45.100 -0.056 0.000 0.779 90 G HN 0.053 nan 8.290 nan 0.000 0.539 91 V N 1.458 121.343 119.914 -0.049 0.000 2.508 91 V HA 0.251 4.370 4.120 -0.003 0.000 0.281 91 V C 0.777 176.906 176.094 0.059 0.000 1.041 91 V CA -0.339 61.963 62.300 0.003 0.000 1.016 91 V CB 1.228 33.052 31.823 0.001 0.000 0.984 91 V HN 0.177 nan 8.190 nan 0.000 0.478 92 S N 4.945 120.664 115.700 0.032 0.000 2.510 92 S HA 0.369 4.838 4.470 -0.003 0.000 0.279 92 S C -0.038 174.581 174.600 0.031 0.000 1.284 92 S CA -0.441 57.770 58.200 0.019 0.000 1.059 92 S CB -0.188 63.011 63.200 -0.002 0.000 0.901 92 S HN 1.070 nan 8.310 nan 0.000 0.491 93 N N 3.550 122.258 118.700 0.012 0.000 2.972 93 N HA 0.538 5.276 4.740 -0.003 0.000 0.262 93 N C -2.822 172.656 175.510 -0.053 0.000 1.478 93 N CA -1.457 51.577 53.050 -0.026 0.000 0.841 93 N CB 0.292 38.766 38.487 -0.022 0.000 1.512 93 N HN 0.113 nan 8.380 nan 0.000 0.548 94 P HA -0.036 nan 4.420 nan 0.000 0.221 94 P C 0.348 177.618 177.300 -0.049 0.000 1.145 94 P CA 1.223 64.285 63.100 -0.063 0.000 0.795 94 P CB 0.106 31.763 31.700 -0.071 0.000 0.775 95 S N -1.799 113.866 115.700 -0.059 0.000 2.528 95 S HA 0.375 4.843 4.470 -0.003 0.000 0.219 95 S C 1.161 175.739 174.600 -0.037 0.000 0.985 95 S CA 0.684 58.857 58.200 -0.044 0.000 0.914 95 S CB -0.121 63.048 63.200 -0.052 0.000 0.776 95 S HN 0.428 nan 8.310 nan 0.000 0.526 96 G N 1.726 110.506 108.800 -0.034 0.000 2.265 96 G HA2 0.053 4.011 3.960 -0.003 0.000 0.246 96 G HA3 0.053 4.011 3.960 -0.003 0.000 0.246 96 G C -1.822 173.061 174.900 -0.028 0.000 1.299 96 G CA -0.219 44.862 45.100 -0.031 0.000 1.117 96 G HN 0.333 nan 8.290 nan 0.000 0.485 97 D N -0.762 119.613 120.400 -0.042 0.000 2.592 97 D HA 0.590 5.229 4.640 -0.003 0.000 0.259 97 D C 1.787 178.036 176.300 -0.085 0.000 1.144 97 D CA -0.128 53.843 54.000 -0.048 0.000 1.080 97 D CB 1.126 41.898 40.800 -0.047 0.000 1.225 97 D HN 1.005 nan 8.370 nan 0.000 0.619 98 L N 0.959 122.129 121.223 -0.088 0.000 1.997 98 L HA -0.191 4.147 4.340 -0.003 0.000 0.216 98 L C 1.924 178.587 176.870 -0.346 0.000 1.074 98 L CA 3.252 58.019 54.840 -0.122 0.000 0.763 98 L CB -0.964 41.061 42.059 -0.056 0.000 0.890 98 L HN 0.590 nan 8.230 nan 0.000 0.434 99 S N -2.420 113.052 115.700 -0.380 0.000 2.556 99 S HA 0.105 4.574 4.470 -0.003 0.000 0.216 99 S C 1.117 175.428 174.600 -0.482 0.000 0.970 99 S CA 0.159 57.907 58.200 -0.753 0.000 0.912 99 S CB -0.481 62.529 63.200 -0.317 0.000 0.790 99 S HN 0.608 nan 8.310 nan 0.000 0.504 100 S N -0.389 115.166 115.700 -0.240 0.000 2.843 100 S HA 0.658 5.126 4.470 -0.003 0.000 0.249 100 S C 0.694 175.285 174.600 -0.015 0.000 1.047 100 S CA -0.116 58.035 58.200 -0.081 0.000 1.042 100 S CB 0.032 63.198 63.200 -0.056 0.000 0.936 100 S HN 1.419 nan 8.310 nan 0.000 0.531 104 L N 1.676 122.812 121.223 -0.144 0.000 2.353 104 L HA 0.103 4.441 4.340 -0.003 0.000 0.220 104 L C 2.609 179.185 176.870 -0.490 0.000 1.133 104 L CA 1.266 55.939 54.840 -0.278 0.000 0.798 104 L CB -0.233 41.658 42.059 -0.279 0.000 0.922 104 L HN 0.320 nan 8.230 nan 0.000 0.445 105 G N -0.917 107.551 108.800 -0.552 0.000 2.813 105 G HA2 -0.104 3.855 3.960 -0.003 0.000 0.209 105 G HA3 -0.104 3.855 3.960 -0.003 0.000 0.209 105 G C 0.499 175.330 174.900 -0.115 0.000 1.150 105 G CA -0.262 44.620 45.100 -0.364 0.000 0.785 105 G HN 0.166 nan 8.290 nan 0.000 0.535 106 E N 1.225 121.355 120.200 -0.116 0.000 2.417 106 E HA 0.170 4.518 4.350 -0.003 0.000 0.261 106 E C -1.176 175.311 176.600 -0.190 0.000 1.000 106 E CA -2.029 54.255 56.400 -0.194 0.000 0.919 106 E CB 1.393 30.859 29.700 -0.389 0.000 0.955 106 E HN 0.046 nan 8.360 nan 0.000 0.455 107 P HA -0.087 nan 4.420 nan 0.000 0.214 107 P C -0.643 176.481 177.300 -0.293 0.000 1.162 107 P CA 1.544 64.614 63.100 -0.051 0.000 0.879 107 P CB 0.092 31.885 31.700 0.155 0.000 0.786 108 K N -2.434 117.520 120.400 -0.744 0.000 2.466 108 K HA 0.613 4.931 4.320 -0.003 0.000 0.260 108 K C -1.287 174.711 176.600 -1.002 0.000 1.011 108 K CA -0.809 54.899 56.287 -0.966 0.000 0.871 108 K CB 1.300 32.693 32.500 -1.844 0.000 1.404 108 K HN -0.172 nan 8.250 nan 0.000 0.450 109 F N -0.386 119.300 119.950 -0.440 0.000 2.643 109 F HA 0.370 4.895 4.527 -0.003 0.000 0.314 109 F C -0.034 175.694 175.800 -0.120 0.000 1.096 109 F CA -1.131 56.742 58.000 -0.212 0.000 0.953 109 F CB 1.622 40.537 39.000 -0.142 0.000 1.345 109 F HN 0.434 nan 8.300 nan 0.000 0.468 110 N N 0.739 119.555 118.700 0.195 0.000 2.482 110 N HA 0.132 4.871 4.740 -0.003 0.000 0.260 110 N C 1.181 176.703 175.510 0.019 0.000 1.236 110 N CA 0.082 53.212 53.050 0.134 0.000 0.938 110 N CB 1.644 40.212 38.487 0.135 0.000 1.128 110 N HN 0.636 nan 8.380 nan 0.000 0.448 111 V N -0.949 118.898 119.914 -0.111 0.000 2.867 111 V HA -0.167 3.951 4.120 -0.003 0.000 0.260 111 V C 1.069 177.107 176.094 -0.094 0.000 1.099 111 V CA 1.738 63.930 62.300 -0.180 0.000 1.122 111 V CB -0.619 30.931 31.823 -0.455 0.000 0.708 111 V HN 0.638 nan 8.190 nan 0.000 0.490 112 D N -0.130 120.244 120.400 -0.044 0.000 2.328 112 D HA 0.041 4.679 4.640 -0.003 0.000 0.221 112 D C 0.838 177.121 176.300 -0.029 0.000 1.072 112 D CA 0.452 54.438 54.000 -0.025 0.000 0.850 112 D CB -0.472 40.329 40.800 0.001 0.000 0.922 112 D HN 0.730 nan 8.370 nan 0.000 0.516 113 E N -1.050 119.130 120.200 -0.034 0.000 3.547 113 E HA -0.169 4.180 4.350 -0.003 0.000 0.309 113 E C -0.376 176.217 176.600 -0.012 0.000 0.855 113 E CA 0.910 57.270 56.400 -0.066 0.000 1.122 113 E CB -2.447 27.184 29.700 -0.116 0.000 1.569 113 E HN 0.617 nan 8.360 nan 0.000 0.429 114 T N -2.274 112.312 114.554 0.052 0.000 2.927 114 T HA 0.720 5.068 4.350 -0.003 0.000 0.281 114 T C 0.461 175.264 174.700 0.171 0.000 0.998 114 T CA -0.389 61.758 62.100 0.079 0.000 1.019 114 T CB 1.967 70.863 68.868 0.047 0.000 1.061 114 T HN 0.363 nan 8.240 nan 0.000 0.518 115 A N 1.176 124.080 122.820 0.140 0.000 2.407 115 A HA 0.420 4.739 4.320 -0.003 0.000 0.248 115 A C -0.612 176.978 177.584 0.010 0.000 1.082 115 A CA -0.571 51.527 52.037 0.101 0.000 0.785 115 A CB -0.337 18.678 19.000 0.025 0.000 1.020 115 A HN 0.908 nan 8.150 nan 0.000 0.489 116 Y N 2.439 122.608 120.300 -0.218 0.000 2.454 116 Y HA 0.341 4.892 4.550 0.001 0.000 0.345 116 Y C 1.490 177.245 175.900 -0.242 0.000 0.970 116 Y CA 0.252 58.185 58.100 -0.278 0.000 1.204 116 Y CB 0.860 39.000 38.460 -0.533 0.000 1.122 116 Y HN 0.723 nan 8.280 nan 0.000 0.514 117 T N 0.961 115.144 114.554 -0.618 0.000 3.065 117 T HA 0.270 4.618 4.350 -0.003 0.000 0.252 117 T C 1.061 175.458 174.700 -0.506 0.000 1.099 117 T CA 0.295 62.135 62.100 -0.434 0.000 1.063 117 T CB -0.225 68.492 68.868 -0.253 0.000 0.948 117 T HN 0.690 nan 8.240 nan 0.000 0.506 118 G N 1.113 109.363 108.800 -0.916 0.000 2.611 118 G HA2 0.422 4.381 3.960 -0.003 0.000 0.273 118 G HA3 0.422 4.381 3.960 -0.003 0.000 0.273 118 G C -0.334 174.495 174.900 -0.119 0.000 1.305 118 G CA -0.681 44.148 45.100 -0.451 0.000 1.010 118 G HN 0.339 nan 8.290 nan 0.000 0.509 119 S N -0.292 115.448 115.700 0.067 0.000 2.549 119 S HA 0.369 4.837 4.470 -0.003 0.000 0.279 119 S C -0.742 174.083 174.600 0.374 0.000 1.321 119 S CA -0.046 58.240 58.200 0.145 0.000 1.054 119 S CB 0.335 63.590 63.200 0.092 0.000 0.899 119 S HN 0.448 nan 8.310 nan 0.000 0.497 120 W N 0.677 121.948 121.300 -0.048 0.000 3.153 120 W HA 0.376 5.034 4.660 -0.003 0.000 0.316 120 W C -0.379 175.970 176.519 -0.283 0.000 1.255 120 W CA -1.041 56.234 57.345 -0.116 0.000 1.192 120 W CB 1.304 30.717 29.460 -0.078 0.000 1.400 120 W HN 0.779 nan 8.180 nan 0.000 0.568 121 G N 3.298 111.537 108.800 -0.936 0.000 2.494 121 G HA2 0.420 4.378 3.960 -0.003 0.000 0.297 121 G HA3 0.420 4.378 3.960 -0.003 0.000 0.297 121 G C -0.457 174.033 174.900 -0.682 0.000 0.971 121 G CA -0.237 43.985 45.100 -1.463 0.000 1.378 121 G HN 0.358 nan 8.290 nan 0.000 0.456 122 R N 2.434 122.775 120.500 -0.266 0.000 2.795 122 R HA 0.763 5.102 4.340 -0.003 0.000 0.275 122 R C -2.800 173.614 176.300 0.191 0.000 0.981 122 R CA -1.815 54.321 56.100 0.059 0.000 0.917 122 R CB 1.807 32.139 30.300 0.054 0.000 1.202 122 R HN 0.229 nan 8.270 nan 0.000 0.469 123 P HA 0.209 nan 4.420 nan 0.000 0.284 123 P C -1.224 176.207 177.300 0.218 0.000 1.292 123 P CA -0.718 62.469 63.100 0.145 0.000 0.800 123 P CB 0.812 32.580 31.700 0.113 0.000 1.188 124 Q N -0.226 119.685 119.800 0.186 0.000 2.337 124 Q HA 0.307 4.646 4.340 -0.003 0.000 0.264 124 Q C 0.588 176.704 176.000 0.194 0.000 1.007 124 Q CA -0.321 55.606 55.803 0.208 0.000 0.727 124 Q CB 1.891 30.755 28.738 0.210 0.000 1.256 124 Q HN 0.285 nan 8.270 nan 0.000 0.467 125 R N 1.041 121.689 120.500 0.246 0.000 2.323 125 R HA -0.077 4.261 4.340 -0.003 0.000 0.198 125 R C 0.777 177.232 176.300 0.258 0.000 0.988 125 R CA 0.790 57.090 56.100 0.333 0.000 1.041 125 R CB 0.233 30.766 30.300 0.389 0.000 0.926 125 R HN 0.649 nan 8.270 nan 0.000 0.476 126 D N 0.086 120.600 120.400 0.190 0.000 2.194 126 D HA -0.073 4.565 4.640 -0.003 0.000 0.204 126 D C 1.765 178.125 176.300 0.100 0.000 0.964 126 D CA 1.016 55.093 54.000 0.129 0.000 0.846 126 D CB -0.558 40.367 40.800 0.207 0.000 0.962 126 D HN 0.133 nan 8.370 nan 0.000 0.490 127 G N 2.487 111.353 108.800 0.109 0.000 2.672 127 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.218 127 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.218 127 G C -0.569 174.364 174.900 0.055 0.000 1.238 127 G CA 1.592 46.738 45.100 0.078 0.000 0.791 127 G HN 0.334 nan 8.290 nan 0.000 0.606 128 P HA -0.095 nan 4.420 nan 0.000 0.216 128 P C 2.118 179.473 177.300 0.092 0.000 1.150 128 P CA 2.226 65.361 63.100 0.059 0.000 0.843 128 P CB -0.209 31.532 31.700 0.069 0.000 0.787 129 A N -0.918 121.954 122.820 0.087 0.000 1.898 129 A HA -0.131 4.187 4.320 -0.003 0.000 0.216 129 A C 2.208 179.779 177.584 -0.022 0.000 1.181 129 A CA 1.338 53.393 52.037 0.031 0.000 0.620 129 A CB -1.551 17.441 19.000 -0.013 0.000 0.819 129 A HN 0.114 nan 8.150 nan 0.000 0.442 130 L N -1.153 120.054 121.223 -0.028 0.000 2.056 130 L HA -0.125 4.213 4.340 -0.003 0.000 0.207 130 L C 2.760 179.629 176.870 -0.002 0.000 1.078 130 L CA 1.639 56.449 54.840 -0.050 0.000 0.749 130 L CB -0.472 41.551 42.059 -0.060 0.000 0.901 130 L HN 0.461 nan 8.230 nan 0.000 0.433 131 R N 0.586 121.115 120.500 0.048 0.000 2.073 131 R HA -0.181 4.157 4.340 -0.003 0.000 0.234 131 R C 2.357 178.716 176.300 0.098 0.000 1.134 131 R CA 1.557 57.724 56.100 0.111 0.000 0.952 131 R CB -0.284 30.083 30.300 0.111 0.000 0.850 131 R HN 0.312 nan 8.270 nan 0.000 0.433 132 A N -0.005 122.857 122.820 0.069 0.000 1.902 132 A HA -0.147 4.171 4.320 -0.003 0.000 0.217 132 A C 2.216 179.817 177.584 0.029 0.000 1.181 132 A CA 2.075 54.152 52.037 0.067 0.000 0.623 132 A CB -1.023 18.028 19.000 0.085 0.000 0.818 132 A HN 0.488 nan 8.150 nan 0.000 0.443 133 T N 0.243 114.796 114.554 -0.002 0.000 2.720 133 T HA -0.072 4.276 4.350 -0.003 0.000 0.268 133 T C 2.203 176.898 174.700 -0.009 0.000 1.037 133 T CA 1.709 63.790 62.100 -0.032 0.000 1.144 133 T CB -0.459 68.362 68.868 -0.079 0.000 0.864 133 T HN 0.619 nan 8.240 nan 0.000 0.444 134 A N 1.204 124.029 122.820 0.008 0.000 1.902 134 A HA -0.056 4.262 4.320 -0.003 0.000 0.217 134 A C 2.333 179.959 177.584 0.070 0.000 1.181 134 A CA 1.553 53.598 52.037 0.013 0.000 0.623 134 A CB -0.605 18.377 19.000 -0.031 0.000 0.818 134 A HN 0.473 nan 8.150 nan 0.000 0.443 135 M N -0.879 118.785 119.600 0.107 0.000 2.156 135 M HA -0.008 4.470 4.480 -0.003 0.000 0.264 135 M C 2.081 178.382 176.300 0.001 0.000 1.067 135 M CA 1.257 56.639 55.300 0.135 0.000 1.131 135 M CB -0.483 32.207 32.600 0.149 0.000 1.368 135 M HN 0.362 nan 8.290 nan 0.000 0.416 136 I N 0.255 120.735 120.570 -0.149 0.000 2.208 136 I HA -0.214 3.954 4.170 -0.003 0.000 0.245 136 I C 2.614 178.592 176.117 -0.231 0.000 1.097 136 I CA 1.422 62.442 61.300 -0.466 0.000 1.363 136 I CB -1.004 36.812 38.000 -0.306 0.000 1.051 136 I HN 0.371 nan 8.210 nan 0.000 0.413 137 G N 0.696 109.483 108.800 -0.022 0.000 2.446 137 G HA2 -0.327 3.632 3.960 -0.003 0.000 0.217 137 G HA3 -0.327 3.632 3.960 -0.003 0.000 0.217 137 G C 1.598 176.618 174.900 0.199 0.000 1.168 137 G CA 0.701 45.856 45.100 0.093 0.000 0.771 137 G HN 0.320 nan 8.290 nan 0.000 0.551 138 F N 2.355 122.338 119.950 0.056 0.000 2.146 138 F HA 0.095 4.621 4.527 -0.002 0.000 0.298 138 F C 2.632 178.582 175.800 0.249 0.000 1.096 138 F CA 1.351 59.434 58.000 0.139 0.000 1.275 138 F CB -0.565 38.459 39.000 0.039 0.000 1.008 138 F HN 0.123 nan 8.300 nan 0.000 0.480 139 G N -0.369 108.483 108.800 0.087 0.000 2.469 139 G HA2 -0.300 3.659 3.960 -0.003 0.000 0.219 139 G HA3 -0.300 3.659 3.960 -0.003 0.000 0.219 139 G C 1.492 176.559 174.900 0.278 0.000 1.150 139 G CA 0.983 46.166 45.100 0.138 0.000 0.763 139 G HN 0.459 nan 8.290 nan 0.000 0.561 140 Q N -1.159 118.749 119.800 0.180 0.000 2.061 140 Q HA -0.174 4.165 4.340 -0.003 0.000 0.204 140 Q C 2.222 178.335 176.000 0.187 0.000 0.984 140 Q CA 1.510 57.450 55.803 0.228 0.000 0.846 140 Q CB -0.312 28.531 28.738 0.176 0.000 0.902 140 Q HN 0.669 nan 8.270 nan 0.000 0.421 141 W N 1.503 122.821 121.300 0.029 0.000 2.317 141 W HA -0.234 4.425 4.660 -0.003 0.000 0.318 141 W C 1.649 178.177 176.519 0.014 0.000 1.227 141 W CA 1.565 58.926 57.345 0.027 0.000 1.269 141 W CB -0.297 29.209 29.460 0.077 0.000 1.155 141 W HN 0.047 nan 8.180 nan 0.000 0.484 142 L N 0.008 121.309 121.223 0.131 0.000 2.012 142 L HA -0.295 4.043 4.340 -0.003 0.000 0.210 142 L C 2.565 179.443 176.870 0.013 0.000 1.073 142 L CA 1.565 56.464 54.840 0.098 0.000 0.748 142 L CB -1.210 40.933 42.059 0.141 0.000 0.891 142 L HN 0.095 nan 8.230 nan 0.000 0.431 143 L N -0.517 120.733 121.223 0.046 0.000 2.046 143 L HA -0.230 4.108 4.340 -0.003 0.000 0.208 143 L C 2.263 179.070 176.870 -0.106 0.000 1.077 143 L CA 1.135 55.973 54.840 -0.003 0.000 0.747 143 L CB -0.629 41.462 42.059 0.052 0.000 0.896 143 L HN 0.285 nan 8.230 nan 0.000 0.432 144 D N -0.230 120.080 120.400 -0.150 0.000 2.178 144 D HA -0.142 4.497 4.640 -0.003 0.000 0.201 144 D C 1.441 177.545 176.300 -0.327 0.000 0.980 144 D CA 1.073 54.945 54.000 -0.213 0.000 0.842 144 D CB -0.252 40.433 40.800 -0.192 0.000 0.948 144 D HN 0.372 nan 8.370 nan 0.000 0.472 145 N N -0.204 118.197 118.700 -0.499 0.000 2.268 145 N HA 0.128 4.866 4.740 -0.003 0.000 0.204 145 N C 0.763 175.933 175.510 -0.567 0.000 1.124 145 N CA 0.376 53.088 53.050 -0.562 0.000 0.838 145 N CB 1.284 39.200 38.487 -0.951 0.000 0.994 145 N HN 0.123 nan 8.380 nan 0.000 0.489 146 G N 1.125 109.670 108.800 -0.424 0.000 2.147 146 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.244 146 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.244 146 G C -0.412 174.215 174.900 -0.455 0.000 1.005 146 G CA -0.120 44.733 45.100 -0.411 0.000 0.713 146 G HN 0.436 nan 8.290 nan 0.000 0.515 147 Y N 1.028 121.284 120.300 -0.075 0.000 2.783 147 Y HA 0.380 4.928 4.550 -0.002 0.000 0.382 147 Y C 2.119 178.036 175.900 0.029 0.000 1.076 147 Y CA 0.176 58.285 58.100 0.015 0.000 1.530 147 Y CB -0.027 38.484 38.460 0.084 0.000 1.546 147 Y HN 0.158 nan 8.280 nan 0.000 0.537 148 T N -1.578 113.021 114.554 0.076 0.000 2.684 148 T HA -0.228 4.120 4.350 -0.003 0.000 0.267 148 T C 2.181 176.928 174.700 0.078 0.000 1.036 148 T CA 2.074 64.202 62.100 0.047 0.000 1.148 148 T CB -0.057 68.804 68.868 -0.012 0.000 0.863 148 T HN 0.449 nan 8.240 nan 0.000 0.436 149 S N 1.154 116.908 115.700 0.090 0.000 2.359 149 S HA -0.076 4.393 4.470 -0.003 0.000 0.224 149 S C 2.593 177.253 174.600 0.099 0.000 1.035 149 S CA 1.055 59.304 58.200 0.082 0.000 1.018 149 S CB -0.641 62.605 63.200 0.077 0.000 0.876 149 S HN 0.611 nan 8.310 nan 0.000 0.448 150 A N 1.508 124.418 122.820 0.150 0.000 1.908 150 A HA 0.018 4.337 4.320 -0.003 0.000 0.218 150 A C 2.352 180.045 177.584 0.182 0.000 1.181 150 A CA 1.907 54.029 52.037 0.140 0.000 0.627 150 A CB -1.148 18.019 19.000 0.280 0.000 0.818 150 A HN 0.534 nan 8.150 nan 0.000 0.445 151 A N -1.109 121.852 122.820 0.236 0.000 1.877 151 A HA -0.069 4.249 4.320 -0.003 0.000 0.216 151 A C 2.328 180.084 177.584 0.286 0.000 1.186 151 A CA 2.317 54.544 52.037 0.317 0.000 0.620 151 A CB -1.223 17.953 19.000 0.293 0.000 0.822 151 A HN 0.446 nan 8.150 nan 0.000 0.443 152 T N -0.210 114.440 114.554 0.161 0.000 2.812 152 T HA -0.062 4.286 4.350 -0.003 0.000 0.264 152 T C 1.713 176.535 174.700 0.203 0.000 1.042 152 T CA 1.653 63.840 62.100 0.145 0.000 1.140 152 T CB -0.144 68.752 68.868 0.047 0.000 0.870 152 T HN 0.659 nan 8.240 nan 0.000 0.445 153 E N -0.052 120.223 120.200 0.125 0.000 2.216 153 E HA 0.206 4.554 4.350 -0.003 0.000 0.192 153 E C 1.804 178.421 176.600 0.028 0.000 0.973 153 E CA 0.343 56.785 56.400 0.070 0.000 0.851 153 E CB 0.183 29.895 29.700 0.019 0.000 0.804 153 E HN 0.442 nan 8.360 nan 0.000 0.477 154 I N -0.263 120.317 120.570 0.017 0.000 3.098 154 I HA -0.100 4.068 4.170 -0.003 0.000 0.241 154 I C 2.113 178.289 176.117 0.099 0.000 1.081 154 I CA 0.220 61.492 61.300 -0.048 0.000 1.487 154 I CB -0.175 37.641 38.000 -0.307 0.000 1.366 154 I HN -0.092 nan 8.210 nan 0.000 0.463 155 V N 1.231 121.289 119.914 0.241 0.000 2.237 155 V HA -0.324 3.795 4.120 -0.003 0.000 0.245 155 V C 2.177 178.531 176.094 0.434 0.000 1.046 155 V CA 2.248 64.761 62.300 0.355 0.000 1.007 155 V CB -0.982 31.111 31.823 0.451 0.000 0.638 155 V HN 0.660 nan 8.190 nan 0.000 0.445 156 W N 2.342 123.866 121.300 0.373 0.000 2.301 156 W HA -0.228 4.431 4.660 -0.002 0.000 0.325 156 W C -0.348 176.296 176.519 0.208 0.000 1.250 156 W CA 2.423 59.969 57.345 0.334 0.000 1.261 156 W CB -1.725 27.812 29.460 0.129 0.000 1.157 156 W HN 0.336 nan 8.180 nan 0.000 0.473 157 P HA -0.216 nan 4.420 nan 0.000 0.217 157 P C 1.915 179.091 177.300 -0.207 0.000 1.148 157 P CA 2.091 65.001 63.100 -0.317 0.000 0.828 157 P CB -0.449 31.176 31.700 -0.126 0.000 0.783 158 L N -1.518 119.666 121.223 -0.066 0.000 2.044 158 L HA -0.118 4.221 4.340 -0.003 0.000 0.205 158 L C 2.418 179.278 176.870 -0.016 0.000 1.075 158 L CA 1.179 56.003 54.840 -0.026 0.000 0.747 158 L CB -1.061 41.007 42.059 0.014 0.000 0.903 158 L HN -0.158 nan 8.230 nan 0.000 0.435 159 V N -0.098 119.833 119.914 0.028 0.000 2.343 159 V HA -0.319 3.799 4.120 -0.003 0.000 0.247 159 V C 2.658 178.741 176.094 -0.019 0.000 1.051 159 V CA 1.875 64.225 62.300 0.083 0.000 1.036 159 V CB -0.672 31.314 31.823 0.270 0.000 0.654 159 V HN 0.441 nan 8.190 nan 0.000 0.451 160 R N 0.175 120.476 120.500 -0.332 0.000 2.117 160 R HA -0.218 4.121 4.340 -0.003 0.000 0.243 160 R C 2.237 178.478 176.300 -0.098 0.000 1.143 160 R CA 2.017 57.884 56.100 -0.387 0.000 0.968 160 R CB -0.266 29.507 30.300 -0.878 0.000 0.863 160 R HN 0.555 nan 8.270 nan 0.000 0.444 161 N N 0.830 119.481 118.700 -0.082 0.000 2.058 161 N HA -0.161 4.577 4.740 -0.003 0.000 0.191 161 N C 1.264 176.869 175.510 0.157 0.000 1.037 161 N CA 1.609 54.681 53.050 0.037 0.000 0.848 161 N CB -0.510 38.036 38.487 0.098 0.000 1.021 161 N HN 0.279 nan 8.380 nan 0.000 0.422 162 D N 0.866 121.353 120.400 0.144 0.000 2.117 162 D HA -0.073 4.566 4.640 -0.003 0.000 0.197 162 D C 2.172 178.632 176.300 0.266 0.000 0.987 162 D CA 0.523 54.641 54.000 0.196 0.000 0.829 162 D CB -0.217 40.660 40.800 0.128 0.000 0.961 162 D HN 0.242 nan 8.370 nan 0.000 0.460 163 L N 0.695 122.071 121.223 0.256 0.000 2.131 163 L HA -0.130 4.209 4.340 -0.003 0.000 0.210 163 L C 2.535 179.668 176.870 0.438 0.000 1.092 163 L CA 0.693 55.749 54.840 0.361 0.000 0.759 163 L CB -0.309 41.985 42.059 0.392 0.000 0.903 163 L HN -0.078 nan 8.230 nan 0.000 0.435 164 S N -1.055 114.778 115.700 0.222 0.000 2.368 164 S HA -0.214 4.254 4.470 -0.003 0.000 0.224 164 S C 1.877 176.489 174.600 0.020 0.000 1.029 164 S CA 1.105 59.150 58.200 -0.258 0.000 0.988 164 S CB -0.359 62.295 63.200 -0.910 0.000 0.838 164 S HN 0.409 nan 8.310 nan 0.000 0.462 165 Y N 2.454 122.872 120.300 0.196 0.000 2.181 165 Y HA -0.170 4.378 4.550 -0.003 0.000 0.288 165 Y C 2.182 178.288 175.900 0.342 0.000 1.146 165 Y CA 1.186 59.517 58.100 0.383 0.000 1.164 165 Y CB -0.520 38.177 38.460 0.396 0.000 0.982 165 Y HN 0.014 nan 8.280 nan 0.000 0.515 166 V N 0.450 120.623 119.914 0.432 0.000 2.287 166 V HA -0.359 3.759 4.120 -0.003 0.000 0.248 166 V C 2.657 178.949 176.094 0.331 0.000 1.053 166 V CA 1.997 64.517 62.300 0.366 0.000 1.027 166 V CB -1.629 30.388 31.823 0.322 0.000 0.646 166 V HN 0.565 nan 8.190 nan 0.000 0.447 167 A N -1.183 121.827 122.820 0.317 0.000 1.969 167 A HA -0.264 4.055 4.320 -0.003 0.000 0.218 167 A C 2.236 179.942 177.584 0.204 0.000 1.169 167 A CA 1.920 54.178 52.037 0.368 0.000 0.635 167 A CB -0.442 18.828 19.000 0.450 0.000 0.810 167 A HN 0.608 nan 8.150 nan 0.000 0.445 168 Q N -2.216 117.536 119.800 -0.079 0.000 2.137 168 Q HA -0.094 4.244 4.340 -0.003 0.000 0.198 168 Q C 0.542 176.154 176.000 -0.646 0.000 0.960 168 Q CA 1.286 56.822 55.803 -0.446 0.000 0.847 168 Q CB 0.041 28.335 28.738 -0.740 0.000 0.915 168 Q HN 0.782 nan 8.270 nan 0.000 0.448 169 Y N -1.214 118.954 120.300 -0.219 0.000 2.588 169 Y HA 0.035 4.583 4.550 -0.002 0.000 0.247 169 Y C 1.224 177.023 175.900 -0.169 0.000 1.157 169 Y CA -0.967 56.964 58.100 -0.281 0.000 1.215 169 Y CB -0.242 37.946 38.460 -0.453 0.000 1.245 169 Y HN 0.306 nan 8.280 nan 0.000 0.534 170 W N 0.637 121.983 121.300 0.077 0.000 2.305 170 W HA -0.285 4.374 4.660 -0.002 0.000 0.308 170 W C 0.760 177.343 176.519 0.106 0.000 1.226 170 W CA 1.605 59.021 57.345 0.118 0.000 1.253 170 W CB -0.940 28.597 29.460 0.127 0.000 1.146 170 W HN 0.198 nan 8.180 nan 0.000 0.507 171 N N 1.196 119.352 118.700 -0.908 0.000 2.416 171 N HA -0.056 4.682 4.740 -0.003 0.000 0.215 171 N C -0.093 175.166 175.510 -0.418 0.000 1.208 171 N CA 0.248 52.717 53.050 -0.968 0.000 0.834 171 N CB 0.026 37.509 38.487 -1.674 0.000 1.072 171 N HN 0.156 nan 8.380 nan 0.000 0.472 172 Q N 0.446 120.144 119.800 -0.170 0.000 2.394 172 Q HA 0.189 4.527 4.340 -0.003 0.000 0.273 172 Q C 0.108 176.120 176.000 0.021 0.000 1.089 172 Q CA -0.512 55.251 55.803 -0.065 0.000 0.812 172 Q CB 1.869 30.601 28.738 -0.011 0.000 1.353 172 Q HN 0.203 nan 8.270 nan 0.000 0.438 173 T N -1.453 113.108 114.554 0.012 0.000 2.748 173 T HA 0.707 5.056 4.350 -0.003 0.000 0.304 173 T C 0.529 175.252 174.700 0.037 0.000 1.041 173 T CA 0.225 62.348 62.100 0.039 0.000 1.033 173 T CB 1.069 69.936 68.868 -0.002 0.000 0.995 173 T HN 0.738 nan 8.240 nan 0.000 0.536 174 G N -0.590 108.222 108.800 0.021 0.000 2.427 174 G HA2 0.465 4.423 3.960 -0.003 0.000 0.306 174 G HA3 0.465 4.423 3.960 -0.003 0.000 0.306 174 G C -2.046 172.829 174.900 -0.042 0.000 1.280 174 G CA -1.094 44.037 45.100 0.052 0.000 0.837 174 G HN 0.672 nan 8.290 nan 0.000 0.482 175 Y N 1.630 121.974 120.300 0.074 0.000 2.376 175 Y HA 0.401 4.949 4.550 -0.002 0.000 0.325 175 Y C 1.083 177.024 175.900 0.067 0.000 1.199 175 Y CA -0.255 57.877 58.100 0.054 0.000 1.206 175 Y CB 1.120 39.593 38.460 0.022 0.000 1.229 175 Y HN 0.654 nan 8.280 nan 0.000 0.480 176 D N 1.600 122.104 120.400 0.174 0.000 2.414 176 D HA -0.029 4.610 4.640 -0.003 0.000 0.259 176 D C 1.224 177.546 176.300 0.036 0.000 1.269 176 D CA -0.313 53.733 54.000 0.076 0.000 1.028 176 D CB 0.596 41.405 40.800 0.016 0.000 1.093 176 D HN 0.705 nan 8.370 nan 0.000 0.545 177 L N -2.757 118.361 121.223 -0.175 0.000 2.275 177 L HA 0.086 4.425 4.340 -0.003 0.000 0.215 177 L C 1.634 178.405 176.870 -0.166 0.000 1.119 177 L CA 0.373 55.035 54.840 -0.297 0.000 0.790 177 L CB -0.613 40.974 42.059 -0.786 0.000 0.919 177 L HN 0.358 nan 8.230 nan 0.000 0.443 178 W N 0.762 122.067 121.300 0.009 0.000 3.256 178 W HA 0.191 4.849 4.660 -0.003 0.000 0.269 178 W C 0.447 176.962 176.519 -0.007 0.000 1.310 178 W CA -0.330 57.008 57.345 -0.011 0.000 1.673 178 W CB 0.061 29.510 29.460 -0.019 0.000 1.115 178 W HN 0.216 nan 8.180 nan 0.000 0.686 179 E N -0.042 120.275 120.200 0.195 0.000 2.513 179 E HA -0.270 4.078 4.350 -0.003 0.000 0.257 179 E C 0.187 176.808 176.600 0.034 0.000 1.098 179 E CA 0.990 57.438 56.400 0.080 0.000 0.752 179 E CB -1.712 27.979 29.700 -0.016 0.000 1.324 179 E HN 0.593 nan 8.360 nan 0.000 0.403 180 E N -0.885 119.436 120.200 0.202 0.000 2.467 180 E HA 0.112 4.461 4.350 -0.003 0.000 0.213 180 E C -0.056 176.683 176.600 0.231 0.000 0.823 180 E CA 0.154 56.659 56.400 0.175 0.000 1.233 180 E CB 1.108 30.866 29.700 0.097 0.000 1.233 180 E HN 0.012 nan 8.360 nan 0.000 0.585 181 V N 2.762 122.763 119.914 0.145 0.000 2.350 181 V HA 0.160 4.279 4.120 -0.003 0.000 0.276 181 V C -0.339 175.592 176.094 -0.272 0.000 1.028 181 V CA -0.677 61.605 62.300 -0.031 0.000 0.860 181 V CB 1.064 32.867 31.823 -0.032 0.000 0.990 181 V HN 0.196 nan 8.190 nan 0.000 0.453 182 N N 3.972 122.364 118.700 -0.513 0.000 2.439 182 N HA 0.516 5.254 4.740 -0.003 0.000 0.243 182 N C 0.317 175.660 175.510 -0.279 0.000 1.088 182 N CA 0.424 53.017 53.050 -0.762 0.000 0.940 182 N CB 0.608 38.627 38.487 -0.780 0.000 1.180 182 N HN 0.914 nan 8.380 nan 0.000 0.505 183 G N 1.136 109.848 108.800 -0.147 0.000 2.619 183 G HA2 0.182 4.141 3.960 -0.003 0.000 0.146 183 G HA3 0.182 4.141 3.960 -0.003 0.000 0.146 183 G C -1.672 173.308 174.900 0.134 0.000 1.192 183 G CA -0.316 44.797 45.100 0.023 0.000 1.063 183 G HN 0.373 nan 8.290 nan 0.000 0.538 184 S N -0.316 115.554 115.700 0.283 0.000 2.647 184 S HA 0.695 5.164 4.470 -0.003 0.000 0.300 184 S C -0.909 174.017 174.600 0.544 0.000 1.129 184 S CA -0.158 58.321 58.200 0.466 0.000 1.029 184 S CB 1.267 64.853 63.200 0.644 0.000 1.007 184 S HN 0.884 nan 8.310 nan 0.000 0.484 185 S N 3.403 119.327 115.700 0.375 0.000 2.501 185 S HA 0.526 4.995 4.470 -0.003 0.000 0.301 185 S C 0.594 175.115 174.600 -0.133 0.000 1.096 185 S CA -0.704 57.611 58.200 0.190 0.000 1.063 185 S CB 0.691 63.969 63.200 0.129 0.000 1.042 185 S HN 0.714 nan 8.310 nan 0.000 0.494 186 F N 4.707 124.327 119.950 -0.551 0.000 2.046 186 F HA -0.077 4.449 4.527 -0.003 0.000 0.297 186 F C 1.638 177.180 175.800 -0.431 0.000 1.123 186 F CA 2.094 59.525 58.000 -0.947 0.000 1.199 186 F CB -0.558 37.982 39.000 -0.767 0.000 0.972 186 F HN 0.808 nan 8.300 nan 0.000 0.474 187 F N 1.195 120.948 119.950 -0.328 0.000 2.087 187 F HA -0.301 4.224 4.527 -0.003 0.000 0.299 187 F C 2.324 177.938 175.800 -0.311 0.000 1.100 187 F CA 2.661 60.486 58.000 -0.292 0.000 1.226 187 F CB -1.061 37.856 39.000 -0.138 0.000 0.983 187 F HN 0.012 nan 8.300 nan 0.000 0.479 188 T N 1.868 116.347 114.554 -0.126 0.000 2.674 188 T HA -0.175 4.173 4.350 -0.003 0.000 0.265 188 T C 2.070 176.651 174.700 -0.198 0.000 1.039 188 T CA 1.711 63.741 62.100 -0.116 0.000 1.150 188 T CB -0.387 68.543 68.868 0.103 0.000 0.864 188 T HN 0.171 nan 8.240 nan 0.000 0.427 189 I N 1.931 122.373 120.570 -0.214 0.000 2.163 189 I HA -0.170 3.999 4.170 -0.003 0.000 0.243 189 I C 2.982 178.915 176.117 -0.306 0.000 1.085 189 I CA 1.368 62.574 61.300 -0.156 0.000 1.347 189 I CB -1.748 36.189 38.000 -0.104 0.000 1.044 189 I HN 0.199 nan 8.210 nan 0.000 0.408 190 A N 1.293 123.753 122.820 -0.599 0.000 1.859 190 A HA -0.210 4.109 4.320 -0.003 0.000 0.217 190 A C 2.433 179.757 177.584 -0.433 0.000 1.198 190 A CA 3.008 54.691 52.037 -0.590 0.000 0.629 190 A CB -1.255 17.171 19.000 -0.956 0.000 0.830 190 A HN 0.379 nan 8.150 nan 0.000 0.446 191 V N -2.399 117.188 119.914 -0.545 0.000 2.667 191 V HA -0.228 3.890 4.120 -0.003 0.000 0.252 191 V C 2.021 177.920 176.094 -0.325 0.000 1.065 191 V CA 2.240 64.242 62.300 -0.496 0.000 1.083 191 V CB -1.011 30.408 31.823 -0.674 0.000 0.692 191 V HN 0.615 nan 8.190 nan 0.000 0.468 192 Q N -0.447 119.221 119.800 -0.219 0.000 2.123 192 Q HA -0.140 4.198 4.340 -0.003 0.000 0.199 192 Q C 2.337 178.269 176.000 -0.113 0.000 0.966 192 Q CA 1.657 57.407 55.803 -0.087 0.000 0.845 192 Q CB -0.391 28.371 28.738 0.040 0.000 0.907 192 Q HN 0.887 nan 8.270 nan 0.000 0.439 193 H N 1.181 120.118 119.070 -0.222 0.000 2.321 193 H HA -0.117 4.437 4.556 -0.003 0.000 0.300 193 H C 2.198 177.374 175.328 -0.254 0.000 1.087 193 H CA 1.622 57.548 56.048 -0.203 0.000 1.319 193 H CB 0.144 29.806 29.762 -0.166 0.000 1.379 193 H HN 0.102 nan 8.280 nan 0.000 0.501 194 R N 0.651 120.784 120.500 -0.610 0.000 2.080 194 R HA -0.140 4.198 4.340 -0.003 0.000 0.236 194 R C 2.511 178.476 176.300 -0.559 0.000 1.137 194 R CA 1.566 57.069 56.100 -0.995 0.000 0.943 194 R CB -0.479 29.100 30.300 -1.201 0.000 0.846 194 R HN 0.355 nan 8.270 nan 0.000 0.431 195 A N 1.349 123.961 122.820 -0.347 0.000 1.908 195 A HA -0.154 4.165 4.320 -0.003 0.000 0.218 195 A C 2.298 179.831 177.584 -0.083 0.000 1.181 195 A CA 1.520 53.460 52.037 -0.161 0.000 0.627 195 A CB -0.595 18.356 19.000 -0.083 0.000 0.818 195 A HN 0.387 nan 8.150 nan 0.000 0.445 196 L N -0.615 120.545 121.223 -0.104 0.000 2.093 196 L HA -0.152 4.187 4.340 -0.003 0.000 0.208 196 L C 2.530 179.360 176.870 -0.066 0.000 1.085 196 L CA 1.061 55.869 54.840 -0.053 0.000 0.755 196 L CB -0.711 41.321 42.059 -0.044 0.000 0.904 196 L HN 0.263 nan 8.230 nan 0.000 0.435 197 V N 0.812 120.654 119.914 -0.120 0.000 2.237 197 V HA -0.274 3.844 4.120 -0.003 0.000 0.245 197 V C 2.535 178.664 176.094 0.059 0.000 1.046 197 V CA 2.217 64.506 62.300 -0.019 0.000 1.007 197 V CB -0.808 31.042 31.823 0.044 0.000 0.638 197 V HN 0.631 nan 8.190 nan 0.000 0.445 198 E N 1.117 121.363 120.200 0.078 0.000 2.153 198 E HA -0.134 4.215 4.350 -0.003 0.000 0.194 198 E C 2.236 178.914 176.600 0.129 0.000 0.988 198 E CA 1.466 57.939 56.400 0.121 0.000 0.811 198 E CB -0.694 29.079 29.700 0.121 0.000 0.746 198 E HN 0.523 nan 8.360 nan 0.000 0.466 199 G N 1.259 110.124 108.800 0.109 0.000 2.418 199 G HA2 -0.321 3.638 3.960 -0.003 0.000 0.217 199 G HA3 -0.321 3.638 3.960 -0.003 0.000 0.217 199 G C 1.714 176.706 174.900 0.154 0.000 1.158 199 G CA 0.864 46.082 45.100 0.196 0.000 0.771 199 G HN 0.371 nan 8.290 nan 0.000 0.545 200 S N 0.630 116.351 115.700 0.034 0.000 2.368 200 S HA 0.063 4.531 4.470 -0.003 0.000 0.224 200 S C 2.735 177.300 174.600 -0.058 0.000 1.029 200 S CA 1.593 59.760 58.200 -0.056 0.000 0.988 200 S CB -0.442 62.715 63.200 -0.071 0.000 0.838 200 S HN 0.524 nan 8.310 nan 0.000 0.462 201 A N 0.409 123.234 122.820 0.009 0.000 1.898 201 A HA 0.019 4.338 4.320 -0.003 0.000 0.216 201 A C 1.962 179.551 177.584 0.007 0.000 1.181 201 A CA 1.492 53.533 52.037 0.006 0.000 0.620 201 A CB -1.001 18.033 19.000 0.057 0.000 0.819 201 A HN 0.647 nan 8.150 nan 0.000 0.442 202 F N 1.007 120.911 119.950 -0.076 0.000 2.113 202 F HA -0.033 4.493 4.527 -0.003 0.000 0.297 202 F C 2.543 178.164 175.800 -0.299 0.000 1.103 202 F CA 0.961 58.907 58.000 -0.089 0.000 1.248 202 F CB -0.576 38.447 39.000 0.038 0.000 0.999 202 F HN 0.254 nan 8.300 nan 0.000 0.475 203 A N -0.379 122.139 122.820 -0.503 0.000 1.892 203 A HA -0.242 4.077 4.320 -0.003 0.000 0.218 203 A C 2.224 179.354 177.584 -0.758 0.000 1.188 203 A CA 2.607 53.992 52.037 -1.088 0.000 0.631 203 A CB -1.518 17.023 19.000 -0.765 0.000 0.822 203 A HN 0.444 nan 8.150 nan 0.000 0.447 204 T N 0.274 114.567 114.554 -0.436 0.000 2.746 204 T HA -0.024 4.324 4.350 -0.003 0.000 0.267 204 T C 2.194 176.698 174.700 -0.327 0.000 1.039 204 T CA 1.622 63.532 62.100 -0.316 0.000 1.142 204 T CB -0.510 68.242 68.868 -0.193 0.000 0.866 204 T HN 0.637 nan 8.240 nan 0.000 0.444 205 A N 1.354 123.972 122.820 -0.337 0.000 1.978 205 A HA -0.057 4.261 4.320 -0.003 0.000 0.220 205 A C 2.441 179.797 177.584 -0.381 0.000 1.170 205 A CA 1.742 53.600 52.037 -0.298 0.000 0.636 205 A CB -0.808 18.060 19.000 -0.221 0.000 0.810 205 A HN 0.552 nan 8.150 nan 0.000 0.448 206 V N -4.010 115.554 119.914 -0.583 0.000 3.649 206 V HA 0.528 4.646 4.120 -0.003 0.000 0.275 206 V C 1.202 177.061 176.094 -0.393 0.000 1.281 206 V CA 0.651 62.635 62.300 -0.526 0.000 1.143 206 V CB -0.851 30.534 31.823 -0.730 0.000 0.892 206 V HN 1.553 nan 8.190 nan 0.000 0.441 207 G N -0.053 108.534 108.800 -0.354 0.000 2.149 207 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.235 207 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.235 207 G C 0.089 174.845 174.900 -0.240 0.000 1.018 207 G CA 0.622 45.577 45.100 -0.242 0.000 0.728 207 G HN 1.132 nan 8.290 nan 0.000 0.508 208 S N -1.331 114.146 115.700 -0.371 0.000 2.998 208 S HA 0.940 5.408 4.470 -0.003 0.000 0.307 208 S C 0.220 174.647 174.600 -0.288 0.000 1.063 208 S CA 0.971 58.999 58.200 -0.285 0.000 0.895 208 S CB 1.759 64.746 63.200 -0.354 0.000 1.362 208 S HN 1.925 nan 8.310 nan 0.000 0.657 209 S N -1.049 114.539 115.700 -0.187 0.000 2.596 209 S HA 0.597 5.065 4.470 -0.003 0.000 0.270 209 S C -1.270 173.212 174.600 -0.196 0.000 1.155 209 S CA -0.709 57.377 58.200 -0.191 0.000 0.827 209 S CB 0.989 64.124 63.200 -0.109 0.000 1.130 209 S HN 0.939 nan 8.310 nan 0.000 0.467 210 C N 2.937 122.021 119.300 -0.361 0.000 3.445 210 C HA 0.606 5.065 4.460 -0.003 0.000 0.213 210 C C 1.847 176.402 174.990 -0.725 0.000 1.319 210 C CA 0.166 58.703 59.018 -0.803 0.000 1.402 210 C CB -1.127 26.283 27.740 -0.550 0.000 1.819 210 C HN 1.100 nan 8.230 nan 0.000 0.491 211 S N 1.998 117.396 115.700 -0.503 0.000 2.370 211 S HA -0.229 4.240 4.470 -0.003 0.000 0.226 211 S C 1.534 176.085 174.600 -0.081 0.000 1.033 211 S CA 1.857 59.970 58.200 -0.144 0.000 1.011 211 S CB -0.572 62.664 63.200 0.061 0.000 0.852 211 S HN 1.022 nan 8.310 nan 0.000 0.457 212 W N 0.826 122.158 121.300 0.054 0.000 2.465 212 W HA 0.146 4.805 4.660 -0.002 0.000 0.268 212 W C 1.993 178.551 176.519 0.065 0.000 1.242 212 W CA 0.101 57.478 57.345 0.052 0.000 1.248 212 W CB -1.219 28.259 29.460 0.030 0.000 1.118 212 W HN 0.283 nan 8.180 nan 0.000 0.587 213 C N 1.370 120.459 119.300 -0.351 0.000 2.476 213 C HA -0.150 4.309 4.460 -0.003 0.000 0.278 213 C C 2.446 177.392 174.990 -0.073 0.000 1.274 213 C CA 1.311 60.227 59.018 -0.171 0.000 1.713 213 C CB -1.059 26.546 27.740 -0.224 0.000 2.039 213 C HN 0.341 nan 8.230 nan 0.000 0.484 214 D N 1.437 121.782 120.400 -0.092 0.000 2.097 214 D HA -0.104 4.535 4.640 -0.003 0.000 0.195 214 D C 2.344 178.653 176.300 0.015 0.000 0.989 214 D CA 2.044 56.023 54.000 -0.035 0.000 0.827 214 D CB -0.649 40.124 40.800 -0.046 0.000 0.966 214 D HN 0.609 nan 8.370 nan 0.000 0.456 215 S N 0.178 115.905 115.700 0.044 0.000 2.406 215 S HA -0.110 4.359 4.470 -0.003 0.000 0.228 215 S C 1.760 176.416 174.600 0.093 0.000 1.020 215 S CA 0.680 58.927 58.200 0.078 0.000 0.965 215 S CB -0.059 63.203 63.200 0.104 0.000 0.798 215 S HN 0.083 nan 8.310 nan 0.000 0.488 216 Q N 1.157 121.017 119.800 0.100 0.000 2.250 216 Q HA 0.348 4.687 4.340 -0.003 0.000 0.200 216 Q C 2.558 178.516 176.000 -0.071 0.000 0.941 216 Q CA 1.070 56.914 55.803 0.068 0.000 0.872 216 Q CB -0.940 27.900 28.738 0.170 0.000 0.965 216 Q HN 0.648 nan 8.270 nan 0.000 0.480 217 A N 2.529 125.340 122.820 -0.015 0.000 1.869 217 A HA -0.183 4.135 4.320 -0.003 0.000 0.218 217 A C -0.394 177.256 177.584 0.110 0.000 1.203 217 A CA 1.835 53.899 52.037 0.044 0.000 0.638 217 A CB -1.728 17.284 19.000 0.020 0.000 0.831 217 A HN 0.264 nan 8.150 nan 0.000 0.450 218 P HA -0.149 nan 4.420 nan 0.000 0.218 218 P C 1.385 178.685 177.300 -0.000 0.000 1.148 218 P CA 1.218 64.352 63.100 0.055 0.000 0.822 218 P CB -0.077 31.658 31.700 0.059 0.000 0.784 219 Q N -0.797 118.978 119.800 -0.042 0.000 2.123 219 Q HA -0.001 4.337 4.340 -0.003 0.000 0.199 219 Q C 2.266 178.076 176.000 -0.316 0.000 0.966 219 Q CA 1.052 56.816 55.803 -0.065 0.000 0.845 219 Q CB -0.714 28.080 28.738 0.094 0.000 0.907 219 Q HN 0.375 nan 8.270 nan 0.000 0.439 220 I N 0.373 120.603 120.570 -0.566 0.000 2.252 220 I HA -0.257 3.912 4.170 -0.003 0.000 0.245 220 I C 2.257 178.248 176.117 -0.211 0.000 1.102 220 I CA 0.613 61.541 61.300 -0.620 0.000 1.385 220 I CB -0.347 37.323 38.000 -0.550 0.000 1.064 220 I HN 0.137 nan 8.210 nan 0.000 0.414 221 L N 0.636 121.729 121.223 -0.217 0.000 2.042 221 L HA -0.246 4.092 4.340 -0.003 0.000 0.210 221 L C 2.656 179.510 176.870 -0.027 0.000 1.076 221 L CA 1.741 56.420 54.840 -0.268 0.000 0.749 221 L CB -0.693 41.129 42.059 -0.395 0.000 0.893 221 L HN 0.352 nan 8.230 nan 0.000 0.432 222 c N -1.198 117.420 118.600 0.029 0.000 2.393 222 c HA -0.263 4.306 4.570 -0.003 0.000 0.276 222 c C 2.735 176.959 174.090 0.225 0.000 1.215 222 c CA 1.229 57.628 56.329 0.117 0.000 1.743 222 c CB -1.114 41.466 42.510 0.116 0.000 2.044 222 c HN 0.725 nan 8.230 nan 0.000 0.464 223 Y N 0.911 121.280 120.300 0.114 0.000 2.181 223 Y HA -0.115 4.433 4.550 -0.003 0.000 0.288 223 Y C 2.129 178.243 175.900 0.356 0.000 1.146 223 Y CA 1.829 60.066 58.100 0.228 0.000 1.164 223 Y CB -1.055 37.596 38.460 0.319 0.000 0.982 223 Y HN 0.317 nan 8.280 nan 0.000 0.515 224 L N 0.736 122.065 121.223 0.177 0.000 2.089 224 L HA -0.289 4.049 4.340 -0.003 0.000 0.213 224 L C 2.175 179.338 176.870 0.487 0.000 1.079 224 L CA 1.938 56.933 54.840 0.258 0.000 0.758 224 L CB -0.824 41.299 42.059 0.107 0.000 0.891 224 L HN 0.275 nan 8.230 nan 0.000 0.433 225 Q N -0.930 119.115 119.800 0.408 0.000 2.181 225 Q HA -0.147 4.191 4.340 -0.003 0.000 0.205 225 Q C 2.267 178.520 176.000 0.421 0.000 0.980 225 Q CA 1.668 57.732 55.803 0.436 0.000 0.862 225 Q CB -0.750 28.147 28.738 0.264 0.000 0.905 225 Q HN 0.556 nan 8.270 nan 0.000 0.429 226 S N 0.495 116.377 115.700 0.303 0.000 2.474 226 S HA -0.020 4.449 4.470 -0.003 0.000 0.235 226 S C 1.339 176.072 174.600 0.223 0.000 0.997 226 S CA 0.422 58.763 58.200 0.234 0.000 0.949 226 S CB -0.267 63.015 63.200 0.137 0.000 0.766 226 S HN 0.299 nan 8.310 nan 0.000 0.517 227 F N 0.392 120.483 119.950 0.234 0.000 2.502 227 F HA 0.088 4.614 4.527 -0.003 0.000 0.298 227 F C 1.126 176.948 175.800 0.037 0.000 1.111 227 F CA -0.217 57.791 58.000 0.015 0.000 1.445 227 F CB -0.031 38.948 39.000 -0.036 0.000 1.081 227 F HN 0.335 nan 8.300 nan 0.000 0.558 228 W N 2.518 123.941 121.300 0.205 0.000 2.304 228 W HA 0.117 4.775 4.660 -0.003 0.000 0.313 228 W C 0.950 177.470 176.519 0.003 0.000 1.323 228 W CA 0.219 57.650 57.345 0.144 0.000 1.223 228 W CB 1.158 30.790 29.460 0.285 0.000 1.237 228 W HN -0.001 nan 8.180 nan 0.000 0.535 229 T N 1.364 115.416 114.554 -0.836 0.000 3.044 229 T HA 0.234 4.582 4.350 -0.003 0.000 0.250 229 T C 1.272 175.476 174.700 -0.827 0.000 1.081 229 T CA 0.859 62.516 62.100 -0.737 0.000 1.040 229 T CB 0.340 68.698 68.868 -0.849 0.000 0.962 229 T HN 0.936 nan 8.240 nan 0.000 0.506 230 G N 0.141 108.041 108.800 -1.499 0.000 2.278 230 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.210 230 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.210 230 G C 1.071 175.560 174.900 -0.686 0.000 1.000 230 G CA 0.418 45.066 45.100 -0.754 0.000 0.635 230 G HN 0.549 nan 8.290 nan 0.000 0.495 231 S N -1.214 113.907 115.700 -0.965 0.000 2.741 231 S HA 0.522 4.990 4.470 -0.003 0.000 0.245 231 S C 0.145 174.589 174.600 -0.261 0.000 1.083 231 S CA 1.055 59.014 58.200 -0.402 0.000 0.873 231 S CB 0.580 63.720 63.200 -0.100 0.000 0.814 231 S HN 1.312 nan 8.310 nan 0.000 0.476 232 Y N -0.755 119.173 120.300 -0.620 0.000 2.725 232 Y HA 0.682 5.230 4.550 -0.003 0.000 0.333 232 Y C -1.648 174.147 175.900 -0.174 0.000 1.242 232 Y CA -1.699 56.295 58.100 -0.176 0.000 1.059 232 Y CB 0.316 38.732 38.460 -0.073 0.000 1.306 232 Y HN -0.128 nan 8.280 nan 0.000 0.454 233 I N 2.991 123.669 120.570 0.180 0.000 2.325 233 I HA 0.232 4.401 4.170 -0.003 0.000 0.291 233 I C -0.557 175.541 176.117 -0.031 0.000 1.019 233 I CA -0.603 60.680 61.300 -0.028 0.000 1.302 233 I CB 1.144 38.906 38.000 -0.397 0.000 1.401 233 I HN 0.490 nan 8.210 nan 0.000 0.485 234 L N 6.654 127.804 121.223 -0.122 0.000 2.462 234 L HA 0.187 4.526 4.340 -0.003 0.000 0.272 234 L C 1.287 178.174 176.870 0.030 0.000 1.166 234 L CA 0.638 55.438 54.840 -0.066 0.000 0.880 234 L CB 1.226 43.101 42.059 -0.306 0.000 1.142 234 L HN 0.787 nan 8.230 nan 0.000 0.473 235 A N 4.543 127.391 122.820 0.047 0.000 1.897 235 A HA 0.045 4.364 4.320 -0.003 0.000 0.215 235 A C 0.644 178.297 177.584 0.115 0.000 1.181 235 A CA 1.041 53.119 52.037 0.067 0.000 0.620 235 A CB -0.271 18.767 19.000 0.064 0.000 0.821 235 A HN 0.800 nan 8.150 nan 0.000 0.443 236 N N -1.965 116.779 118.700 0.074 0.000 2.331 236 N HA 0.459 5.197 4.740 -0.003 0.000 0.280 236 N C -1.771 173.727 175.510 -0.019 0.000 1.155 236 N CA -0.424 52.698 53.050 0.119 0.000 0.822 236 N CB 1.334 39.865 38.487 0.074 0.000 1.619 236 N HN 0.088 nan 8.380 nan 0.000 0.476 237 F N 0.745 120.804 119.950 0.182 0.000 2.378 237 F HA 0.242 4.767 4.527 -0.003 0.000 0.325 237 F C 0.984 176.812 175.800 0.047 0.000 1.097 237 F CA 0.151 58.187 58.000 0.059 0.000 1.079 237 F CB 0.516 39.526 39.000 0.016 0.000 1.240 237 F HN 0.456 nan 8.300 nan 0.000 0.519 238 D N 0.019 120.550 120.400 0.219 0.000 2.947 238 D HA -0.185 4.454 4.640 -0.003 0.000 0.224 238 D C -0.317 176.014 176.300 0.051 0.000 1.132 238 D CA 0.650 54.713 54.000 0.104 0.000 0.801 238 D CB -1.386 39.458 40.800 0.073 0.000 1.097 238 D HN 0.344 nan 8.370 nan 0.000 0.431 239 S N -0.674 115.053 115.700 0.046 0.000 2.566 239 S HA 0.586 5.055 4.470 -0.003 0.000 0.298 239 S C 0.810 175.413 174.600 0.004 0.000 1.083 239 S CA 0.213 58.416 58.200 0.004 0.000 0.978 239 S CB 1.941 65.130 63.200 -0.019 0.000 1.073 239 S HN 0.138 nan 8.310 nan 0.000 0.491 240 S N 2.412 118.108 115.700 -0.006 0.000 2.554 240 S HA 0.355 4.824 4.470 -0.003 0.000 0.226 240 S C 0.472 175.067 174.600 -0.008 0.000 0.980 240 S CA -0.631 57.569 58.200 -0.001 0.000 0.939 240 S CB -0.109 63.092 63.200 0.002 0.000 0.832 240 S HN 0.671 nan 8.310 nan 0.000 0.486 241 R N 1.409 121.895 120.500 -0.022 0.000 2.574 241 R HA 0.404 4.742 4.340 -0.003 0.000 0.266 241 R C 1.684 177.975 176.300 -0.016 0.000 1.157 241 R CA 0.269 56.353 56.100 -0.027 0.000 1.187 241 R CB 0.138 30.399 30.300 -0.066 0.000 1.179 241 R HN 0.366 nan 8.270 nan 0.000 0.600 242 S N -0.316 115.369 115.700 -0.026 0.000 2.382 242 S HA -0.069 4.399 4.470 -0.003 0.000 0.228 242 S C 1.520 176.143 174.600 0.039 0.000 1.027 242 S CA 0.928 59.116 58.200 -0.019 0.000 0.991 242 S CB -0.284 62.854 63.200 -0.104 0.000 0.823 242 S HN 0.994 nan 8.310 nan 0.000 0.469 243 G N 0.486 109.289 108.800 0.005 0.000 2.176 243 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.232 243 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.232 243 G C -0.125 174.812 174.900 0.060 0.000 0.986 243 G CA 0.011 45.155 45.100 0.074 0.000 0.643 243 G HN 0.594 nan 8.290 nan 0.000 0.522 244 K N 1.209 121.528 120.400 -0.135 0.000 2.285 244 K HA 0.524 4.842 4.320 -0.003 0.000 0.286 244 K C -0.954 175.623 176.600 -0.039 0.000 1.072 244 K CA -0.316 55.827 56.287 -0.240 0.000 0.913 244 K CB 1.015 33.241 32.500 -0.457 0.000 1.067 244 K HN 0.192 nan 8.250 nan 0.000 0.479 245 D N 1.135 121.571 120.400 0.060 0.000 2.837 245 D HA 0.084 4.723 4.640 -0.003 0.000 0.220 245 D C 0.277 176.709 176.300 0.219 0.000 1.236 245 D CA -0.433 53.695 54.000 0.214 0.000 0.838 245 D CB 1.938 42.880 40.800 0.238 0.000 1.647 245 D HN 0.332 nan 8.370 nan 0.000 0.486 246 T N 1.444 116.168 114.554 0.284 0.000 3.025 246 T HA -0.141 4.208 4.350 -0.003 0.000 0.270 246 T C 1.592 176.434 174.700 0.235 0.000 1.126 246 T CA 0.861 63.090 62.100 0.215 0.000 1.105 246 T CB -0.186 68.758 68.868 0.128 0.000 0.884 246 T HN 0.458 nan 8.240 nan 0.000 0.522 247 N N 2.330 121.191 118.700 0.270 0.000 2.091 247 N HA -0.211 4.527 4.740 -0.003 0.000 0.193 247 N C 1.896 177.541 175.510 0.226 0.000 1.021 247 N CA 2.555 55.650 53.050 0.074 0.000 0.862 247 N CB -0.739 37.775 38.487 0.046 0.000 1.018 247 N HN 0.578 nan 8.380 nan 0.000 0.429 248 T N -1.902 112.764 114.554 0.186 0.000 2.951 248 T HA -0.026 4.322 4.350 -0.003 0.000 0.268 248 T C 2.169 176.983 174.700 0.190 0.000 1.073 248 T CA 0.703 62.875 62.100 0.120 0.000 1.134 248 T CB -0.330 68.415 68.868 -0.205 0.000 0.884 248 T HN 0.069 nan 8.240 nan 0.000 0.479 249 L N 0.519 121.838 121.223 0.160 0.000 2.072 249 L HA 0.276 4.615 4.340 -0.003 0.000 0.205 249 L C 2.584 179.571 176.870 0.195 0.000 1.079 249 L CA 1.225 56.149 54.840 0.140 0.000 0.752 249 L CB -0.708 41.386 42.059 0.057 0.000 0.906 249 L HN 0.271 nan 8.230 nan 0.000 0.436 250 L N -1.266 120.114 121.223 0.261 0.000 2.046 250 L HA -0.127 4.212 4.340 -0.003 0.000 0.208 250 L C 2.534 179.731 176.870 0.545 0.000 1.077 250 L CA 1.328 56.413 54.840 0.407 0.000 0.747 250 L CB -1.267 41.014 42.059 0.371 0.000 0.896 250 L HN 0.388 nan 8.230 nan 0.000 0.432 251 G N -1.182 107.962 108.800 0.573 0.000 2.442 251 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.219 251 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.219 251 G C 1.827 176.887 174.900 0.267 0.000 1.141 251 G CA 1.093 46.402 45.100 0.349 0.000 0.763 251 G HN 0.363 nan 8.290 nan 0.000 0.554 252 S N 0.652 116.556 115.700 0.340 0.000 2.357 252 S HA -0.094 4.375 4.470 -0.003 0.000 0.221 252 S C 2.488 177.218 174.600 0.217 0.000 1.031 252 S CA 1.298 59.672 58.200 0.290 0.000 0.982 252 S CB -0.350 63.007 63.200 0.260 0.000 0.853 252 S HN 0.546 nan 8.310 nan 0.000 0.458 253 I N -1.279 119.360 120.570 0.115 0.000 2.439 253 I HA -0.023 4.146 4.170 -0.003 0.000 0.251 253 I C 1.839 177.946 176.117 -0.017 0.000 1.139 253 I CA 1.513 62.813 61.300 0.001 0.000 1.438 253 I CB -0.685 37.237 38.000 -0.130 0.000 1.085 253 I HN 0.248 nan 8.210 nan 0.000 0.427 254 H N 1.258 120.459 119.070 0.218 0.000 2.547 254 H HA 0.119 4.674 4.556 -0.002 0.000 0.266 254 H C 1.486 176.847 175.328 0.056 0.000 0.988 254 H CA 1.375 57.510 56.048 0.146 0.000 1.147 254 H CB 0.134 29.977 29.762 0.135 0.000 1.365 254 H HN 0.597 nan 8.280 nan 0.000 0.589 255 T N -2.927 111.741 114.554 0.190 0.000 3.145 255 T HA 0.056 4.405 4.350 -0.003 0.000 0.281 255 T C 0.150 175.168 174.700 0.529 0.000 1.003 255 T CA -0.573 61.627 62.100 0.165 0.000 0.901 255 T CB -0.865 68.006 68.868 0.005 0.000 1.112 255 T HN -0.008 nan 8.240 nan 0.000 0.535 256 F N 3.423 123.541 119.950 0.281 0.000 2.578 256 F HA 0.445 4.971 4.527 -0.003 0.000 0.376 256 F C -0.157 175.823 175.800 0.300 0.000 1.085 256 F CA -1.103 57.039 58.000 0.237 0.000 1.260 256 F CB 0.435 39.498 39.000 0.105 0.000 1.095 256 F HN 0.101 nan 8.300 nan 0.000 0.573 257 D N 8.855 129.017 120.400 -0.398 0.000 2.471 257 D HA 0.273 4.911 4.640 -0.003 0.000 0.245 257 D C -1.980 173.797 176.300 -0.870 0.000 1.116 257 D CA -2.197 51.436 54.000 -0.611 0.000 0.853 257 D CB 2.137 42.523 40.800 -0.690 0.000 1.123 257 D HN 0.296 nan 8.370 nan 0.000 0.540 258 P HA -0.084 nan 4.420 nan 0.000 0.228 258 P C 0.561 177.825 177.300 -0.059 0.000 1.151 258 P CA 0.762 63.569 63.100 -0.489 0.000 0.770 258 P CB 0.585 32.065 31.700 -0.366 0.000 0.786 259 E N -0.719 119.384 120.200 -0.162 0.000 2.474 259 E HA 0.221 4.570 4.350 -0.003 0.000 0.195 259 E C 0.682 177.229 176.600 -0.088 0.000 1.039 259 E CA -0.375 55.973 56.400 -0.086 0.000 0.881 259 E CB 0.291 29.915 29.700 -0.127 0.000 0.970 259 E HN 0.198 nan 8.360 nan 0.000 0.486 260 A N 0.739 123.492 122.820 -0.112 0.000 2.302 260 A HA 0.597 4.916 4.320 -0.003 0.000 0.285 260 A C 0.637 178.238 177.584 0.029 0.000 1.105 260 A CA -0.064 51.930 52.037 -0.072 0.000 0.816 260 A CB 0.792 19.731 19.000 -0.101 0.000 1.067 260 A HN 0.200 nan 8.150 nan 0.000 0.489 261 G N -1.052 107.764 108.800 0.026 0.000 2.510 261 G HA2 0.369 4.328 3.960 -0.003 0.000 0.280 261 G HA3 0.369 4.328 3.960 -0.003 0.000 0.280 261 G C -0.049 174.900 174.900 0.082 0.000 1.386 261 G CA -0.142 44.999 45.100 0.068 0.000 1.047 261 G HN 0.874 nan 8.290 nan 0.000 0.527 262 c N 1.479 120.138 118.600 0.098 0.000 3.057 262 c HA 0.237 4.806 4.570 -0.003 0.000 0.563 262 c C -0.271 173.840 174.090 0.035 0.000 1.129 262 c CA -1.239 55.146 56.329 0.093 0.000 1.284 262 c CB -2.228 40.384 42.510 0.171 0.000 1.532 262 c HN 0.381 nan 8.230 nan 0.000 0.631 263 D N 1.372 121.781 120.400 0.014 0.000 2.358 263 D HA 0.039 4.678 4.640 -0.003 0.000 0.258 263 D C 0.808 177.042 176.300 -0.110 0.000 1.223 263 D CA 0.264 54.243 54.000 -0.035 0.000 0.886 263 D CB 0.809 41.597 40.800 -0.019 0.000 1.120 263 D HN 0.342 nan 8.370 nan 0.000 0.482 264 D N 0.598 120.877 120.400 -0.202 0.000 2.183 264 D HA -0.137 4.502 4.640 -0.003 0.000 0.203 264 D C 1.970 177.918 176.300 -0.587 0.000 0.969 264 D CA 0.887 54.634 54.000 -0.422 0.000 0.842 264 D CB 0.150 40.709 40.800 -0.401 0.000 0.957 264 D HN 0.385 nan 8.370 nan 0.000 0.484 265 S N -0.499 115.015 115.700 -0.311 0.000 2.423 265 S HA -0.121 4.348 4.470 -0.003 0.000 0.231 265 S C 1.844 176.400 174.600 -0.073 0.000 1.014 265 S CA 1.597 59.670 58.200 -0.211 0.000 0.965 265 S CB -0.515 62.635 63.200 -0.083 0.000 0.785 265 S HN 0.267 nan 8.310 nan 0.000 0.495 266 T N -2.665 111.892 114.554 0.005 0.000 3.092 266 T HA 0.378 4.726 4.350 -0.003 0.000 0.258 266 T C 0.207 175.154 174.700 0.411 0.000 1.031 266 T CA -0.541 61.715 62.100 0.259 0.000 0.925 266 T CB -1.005 68.038 68.868 0.292 0.000 1.036 266 T HN 0.272 nan 8.240 nan 0.000 0.544 267 F N 1.416 121.451 119.950 0.142 0.000 3.067 267 F HA -0.180 4.346 4.527 -0.002 0.000 0.279 267 F C 0.579 176.479 175.800 0.167 0.000 0.945 267 F CA -0.103 57.995 58.000 0.162 0.000 0.948 267 F CB -2.417 36.770 39.000 0.311 0.000 0.898 267 F HN 0.284 nan 8.300 nan 0.000 0.746 268 Q N 0.514 120.444 119.800 0.217 0.000 2.432 268 Q HA 0.042 4.381 4.340 -0.003 0.000 0.264 268 Q C -1.058 175.022 176.000 0.133 0.000 1.035 268 Q CA -1.077 54.857 55.803 0.219 0.000 0.908 268 Q CB 0.329 29.180 28.738 0.188 0.000 1.280 268 Q HN 0.035 nan 8.270 nan 0.000 0.455 269 P HA -0.191 nan 4.420 nan 0.000 0.217 269 P C 1.135 178.333 177.300 -0.170 0.000 1.151 269 P CA 1.714 64.766 63.100 -0.079 0.000 0.849 269 P CB 0.022 31.576 31.700 -0.243 0.000 0.787 270 c N -3.390 115.117 118.600 -0.154 0.000 2.618 270 c HA 0.281 4.849 4.570 -0.003 0.000 0.264 270 c C 1.343 175.462 174.090 0.047 0.000 1.334 270 c CA -0.336 55.903 56.329 -0.150 0.000 1.731 270 c CB -1.868 40.464 42.510 -0.297 0.000 1.852 270 c HN 0.199 nan 8.230 nan 0.000 0.566 271 S N 2.275 117.987 115.700 0.020 0.000 2.558 271 S HA 0.163 4.631 4.470 -0.003 0.000 0.288 271 S C -1.344 173.248 174.600 -0.013 0.000 1.318 271 S CA -0.213 57.986 58.200 -0.001 0.000 1.056 271 S CB 0.428 63.582 63.200 -0.076 0.000 0.853 271 S HN 0.296 nan 8.310 nan 0.000 0.505 272 P HA -0.139 nan 4.420 nan 0.000 0.216 272 P C 1.447 178.708 177.300 -0.065 0.000 1.150 272 P CA 1.387 64.503 63.100 0.028 0.000 0.843 272 P CB 0.049 31.768 31.700 0.031 0.000 0.787 273 R N -0.571 119.771 120.500 -0.265 0.000 2.075 273 R HA -0.017 4.322 4.340 -0.003 0.000 0.232 273 R C 2.332 178.621 176.300 -0.019 0.000 1.126 273 R CA 1.516 57.332 56.100 -0.474 0.000 0.963 273 R CB -1.071 28.618 30.300 -1.018 0.000 0.858 273 R HN 0.149 nan 8.270 nan 0.000 0.435 274 A N 1.178 124.008 122.820 0.017 0.000 1.930 274 A HA -0.084 4.234 4.320 -0.003 0.000 0.217 274 A C 2.160 179.756 177.584 0.019 0.000 1.175 274 A CA 1.038 53.136 52.037 0.102 0.000 0.627 274 A CB -0.406 18.651 19.000 0.095 0.000 0.815 274 A HN 0.148 nan 8.150 nan 0.000 0.443 275 L N -0.834 120.320 121.223 -0.116 0.000 2.056 275 L HA -0.142 4.197 4.340 -0.003 0.000 0.207 275 L C 3.099 179.927 176.870 -0.069 0.000 1.078 275 L CA 1.005 55.608 54.840 -0.395 0.000 0.749 275 L CB -0.627 41.031 42.059 -0.668 0.000 0.901 275 L HN 0.401 nan 8.230 nan 0.000 0.433 276 A N 0.611 123.508 122.820 0.128 0.000 1.883 276 A HA -0.297 4.021 4.320 -0.003 0.000 0.217 276 A C 2.059 179.841 177.584 0.330 0.000 1.186 276 A CA 2.393 54.609 52.037 0.298 0.000 0.624 276 A CB -0.907 18.343 19.000 0.417 0.000 0.822 276 A HN 0.518 nan 8.150 nan 0.000 0.444 277 N N -1.085 117.824 118.700 0.349 0.000 2.104 277 N HA -0.244 4.495 4.740 -0.003 0.000 0.190 277 N C 1.859 177.507 175.510 0.230 0.000 1.024 277 N CA 1.823 55.063 53.050 0.316 0.000 0.853 277 N CB -0.424 38.250 38.487 0.311 0.000 1.008 277 N HN 0.626 nan 8.380 nan 0.000 0.424 278 H N 0.576 119.719 119.070 0.123 0.000 2.319 278 H HA -0.164 4.390 4.556 -0.003 0.000 0.297 278 H C 1.963 177.433 175.328 0.236 0.000 1.097 278 H CA 1.919 58.046 56.048 0.130 0.000 1.285 278 H CB -0.095 29.700 29.762 0.055 0.000 1.368 278 H HN 0.290 nan 8.280 nan 0.000 0.495 279 K N 0.180 120.863 120.400 0.472 0.000 2.026 279 K HA -0.125 4.194 4.320 -0.003 0.000 0.208 279 K C 2.258 178.980 176.600 0.203 0.000 1.048 279 K CA 1.501 58.030 56.287 0.403 0.000 0.929 279 K CB 0.127 32.857 32.500 0.383 0.000 0.713 279 K HN 0.278 nan 8.250 nan 0.000 0.439 280 E N 0.350 120.639 120.200 0.149 0.000 2.058 280 E HA -0.185 4.164 4.350 -0.003 0.000 0.194 280 E C 2.142 178.694 176.600 -0.081 0.000 0.997 280 E CA 1.448 57.853 56.400 0.008 0.000 0.801 280 E CB -0.273 29.418 29.700 -0.015 0.000 0.746 280 E HN 0.172 nan 8.360 nan 0.000 0.450 281 V N 1.214 121.102 119.914 -0.042 0.000 2.261 281 V HA -0.214 3.904 4.120 -0.003 0.000 0.246 281 V C 2.640 178.776 176.094 0.070 0.000 1.047 281 V CA 1.459 63.735 62.300 -0.039 0.000 1.015 281 V CB -0.638 31.190 31.823 0.009 0.000 0.642 281 V HN 0.053 nan 8.190 nan 0.000 0.446 282 V N 0.346 120.320 119.914 0.100 0.000 2.343 282 V HA -0.272 3.846 4.120 -0.003 0.000 0.247 282 V C 2.256 178.490 176.094 0.233 0.000 1.051 282 V CA 2.231 64.675 62.300 0.239 0.000 1.036 282 V CB -0.812 31.142 31.823 0.218 0.000 0.654 282 V HN 0.538 nan 8.190 nan 0.000 0.451 283 D N 0.409 120.880 120.400 0.119 0.000 2.221 283 D HA -0.131 4.507 4.640 -0.003 0.000 0.204 283 D C 2.359 178.615 176.300 -0.075 0.000 0.982 283 D CA 1.617 55.646 54.000 0.048 0.000 0.857 283 D CB -0.287 40.532 40.800 0.031 0.000 0.934 283 D HN 0.610 nan 8.370 nan 0.000 0.475 284 S N -0.751 114.821 115.700 -0.213 0.000 2.474 284 S HA -0.109 4.360 4.470 -0.003 0.000 0.235 284 S C 1.427 175.648 174.600 -0.632 0.000 0.997 284 S CA 0.472 58.392 58.200 -0.468 0.000 0.949 284 S CB -0.464 62.360 63.200 -0.626 0.000 0.766 284 S HN 0.172 nan 8.310 nan 0.000 0.517 285 F N 0.981 120.796 119.950 -0.225 0.000 2.704 285 F HA 0.490 5.015 4.527 -0.003 0.000 0.304 285 F C 2.276 177.884 175.800 -0.320 0.000 1.094 285 F CA -0.806 56.950 58.000 -0.407 0.000 1.275 285 F CB -0.004 38.785 39.000 -0.352 0.000 1.073 285 F HN 0.022 nan 8.300 nan 0.000 0.586 286 R N 0.262 120.755 120.500 -0.011 0.000 2.091 286 R HA -0.130 4.208 4.340 -0.003 0.000 0.238 286 R C 1.967 178.249 176.300 -0.031 0.000 1.136 286 R CA 1.830 57.936 56.100 0.010 0.000 0.959 286 R CB -0.510 29.805 30.300 0.026 0.000 0.856 286 R HN 0.288 nan 8.270 nan 0.000 0.437 287 S N -0.107 115.545 115.700 -0.079 0.000 2.557 287 S HA 0.098 4.566 4.470 -0.003 0.000 0.223 287 S C 1.518 176.065 174.600 -0.089 0.000 0.969 287 S CA -0.412 57.748 58.200 -0.066 0.000 0.927 287 S CB -0.104 63.058 63.200 -0.062 0.000 0.806 287 S HN 0.448 nan 8.310 nan 0.000 0.489 288 I N -3.268 117.200 120.570 -0.170 0.000 4.057 288 I HA 0.486 4.655 4.170 -0.003 0.000 0.334 288 I C -0.957 175.132 176.117 -0.046 0.000 1.308 288 I CA -0.591 60.605 61.300 -0.174 0.000 1.125 288 I CB 0.170 38.003 38.000 -0.279 0.000 1.034 288 I HN 0.003 nan 8.210 nan 0.000 0.401 289 Y N 1.243 121.543 120.300 -0.001 0.000 2.331 289 Y HA 0.421 4.969 4.550 -0.003 0.000 0.334 289 Y C 1.545 177.430 175.900 -0.024 0.000 0.960 289 Y CA -1.822 56.261 58.100 -0.029 0.000 1.130 289 Y CB 1.439 39.866 38.460 -0.055 0.000 1.164 289 Y HN -0.156 nan 8.280 nan 0.000 0.458 290 T N 2.381 117.014 114.554 0.131 0.000 2.778 290 T HA -0.187 4.162 4.350 -0.003 0.000 0.269 290 T C 1.969 176.703 174.700 0.057 0.000 1.050 290 T CA 1.384 63.521 62.100 0.062 0.000 1.137 290 T CB -0.137 68.748 68.868 0.029 0.000 0.860 290 T HN 0.518 nan 8.240 nan 0.000 0.468 291 L N 1.635 122.895 121.223 0.061 0.000 2.191 291 L HA -0.009 4.330 4.340 -0.003 0.000 0.212 291 L C 1.592 178.511 176.870 0.080 0.000 1.103 291 L CA 1.486 56.356 54.840 0.050 0.000 0.769 291 L CB -0.424 41.630 42.059 -0.008 0.000 0.908 291 L HN 0.155 nan 8.230 nan 0.000 0.438 292 N N -0.845 117.916 118.700 0.103 0.000 2.336 292 N HA 0.006 4.744 4.740 -0.003 0.000 0.189 292 N C -0.267 175.276 175.510 0.054 0.000 1.113 292 N CA 0.037 53.139 53.050 0.087 0.000 0.858 292 N CB -0.202 38.351 38.487 0.111 0.000 0.970 292 N HN 0.267 nan 8.380 nan 0.000 0.471 293 D N 0.198 120.625 120.400 0.045 0.000 2.487 293 D HA 0.219 4.858 4.640 -0.003 0.000 0.243 293 D C 1.509 177.822 176.300 0.021 0.000 1.154 293 D CA 1.041 55.058 54.000 0.028 0.000 0.876 293 D CB 0.381 41.195 40.800 0.023 0.000 1.161 293 D HN 0.351 nan 8.370 nan 0.000 0.478 294 G N 1.798 110.607 108.800 0.014 0.000 2.225 294 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.254 294 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.254 294 G C 0.377 175.282 174.900 0.009 0.000 0.988 294 G CA -0.037 45.069 45.100 0.009 0.000 0.625 294 G HN 0.475 nan 8.290 nan 0.000 0.527 295 L N 1.992 123.224 121.223 0.015 0.000 2.417 295 L HA 0.567 4.905 4.340 -0.003 0.000 0.268 295 L C 1.347 178.225 176.870 0.013 0.000 1.158 295 L CA -0.037 54.812 54.840 0.014 0.000 0.819 295 L CB 1.287 43.357 42.059 0.019 0.000 1.112 295 L HN 0.424 nan 8.230 nan 0.000 0.458 296 S N -0.501 115.204 115.700 0.007 0.000 2.707 296 S HA 0.192 4.661 4.470 -0.003 0.000 0.276 296 S C 0.310 174.913 174.600 0.006 0.000 1.179 296 S CA -0.776 57.424 58.200 -0.001 0.000 0.992 296 S CB 1.175 64.367 63.200 -0.014 0.000 1.030 296 S HN 0.640 nan 8.310 nan 0.000 0.554 297 D N 0.592 120.986 120.400 -0.011 0.000 2.403 297 D HA 0.004 4.642 4.640 -0.003 0.000 0.227 297 D C 1.241 177.485 176.300 -0.092 0.000 0.995 297 D CA 1.140 55.128 54.000 -0.021 0.000 0.928 297 D CB -0.102 40.677 40.800 -0.035 0.000 0.887 297 D HN 0.590 nan 8.370 nan 0.000 0.529 298 S N -1.267 114.377 115.700 -0.093 0.000 2.578 298 S HA 0.187 4.655 4.470 -0.003 0.000 0.231 298 S C 0.338 174.906 174.600 -0.054 0.000 0.994 298 S CA -0.624 57.456 58.200 -0.199 0.000 0.956 298 S CB 0.435 63.537 63.200 -0.163 0.000 0.870 298 S HN 0.019 nan 8.310 nan 0.000 0.494 299 E N 1.350 121.593 120.200 0.072 0.000 2.195 299 E HA 0.688 5.036 4.350 -0.003 0.000 0.271 299 E C -0.445 176.250 176.600 0.158 0.000 0.923 299 E CA -0.846 55.626 56.400 0.121 0.000 0.790 299 E CB 1.947 31.665 29.700 0.029 0.000 1.155 299 E HN 0.427 nan 8.360 nan 0.000 0.402 300 A N 1.936 124.676 122.820 -0.133 0.000 2.445 300 A HA 0.408 4.727 4.320 -0.003 0.000 0.242 300 A C 0.088 177.441 177.584 -0.386 0.000 1.075 300 A CA -0.298 51.239 52.037 -0.832 0.000 0.777 300 A CB 0.155 18.305 19.000 -1.416 0.000 1.013 300 A HN 0.407 nan 8.150 nan 0.000 0.493 301 V N -1.957 117.787 119.914 -0.283 0.000 3.160 301 V HA 0.884 5.002 4.120 -0.003 0.000 0.310 301 V C 0.224 176.405 176.094 0.145 0.000 1.181 301 V CA -0.698 61.615 62.300 0.021 0.000 1.047 301 V CB 1.152 33.042 31.823 0.111 0.000 1.068 301 V HN 1.738 nan 8.190 nan 0.000 0.441 302 A N 1.302 124.217 122.820 0.160 0.000 2.409 302 A HA 0.678 4.996 4.320 -0.003 0.000 0.267 302 A C -0.188 177.413 177.584 0.028 0.000 1.127 302 A CA -0.248 51.879 52.037 0.149 0.000 0.795 302 A CB 0.099 19.157 19.000 0.097 0.000 1.061 302 A HN 1.286 nan 8.150 nan 0.000 0.502 303 V N 2.948 122.779 119.914 -0.140 0.000 2.513 303 V HA 0.674 4.792 4.120 -0.003 0.000 0.299 303 V C 1.009 176.660 176.094 -0.738 0.000 1.035 303 V CA 0.131 62.087 62.300 -0.574 0.000 0.889 303 V CB 1.460 33.061 31.823 -0.369 0.000 0.988 303 V HN 1.147 nan 8.190 nan 0.000 0.440 304 G N 3.209 111.177 108.800 -1.386 0.000 2.828 304 G HA2 0.443 4.402 3.960 -0.003 0.000 0.244 304 G HA3 0.443 4.402 3.960 -0.003 0.000 0.244 304 G C 0.493 174.971 174.900 -0.703 0.000 1.365 304 G CA -0.577 44.039 45.100 -0.806 0.000 1.041 304 G HN 0.606 nan 8.290 nan 0.000 0.560 305 R N -1.176 118.932 120.500 -0.652 0.000 2.052 305 R HA 0.143 4.481 4.340 -0.003 0.000 0.224 305 R C -0.064 176.280 176.300 0.073 0.000 1.149 305 R CA 1.055 56.771 56.100 -0.641 0.000 0.962 305 R CB -0.242 29.134 30.300 -1.541 0.000 0.856 305 R HN 0.618 nan 8.270 nan 0.000 0.433 306 Y N -3.116 117.206 120.300 0.037 0.000 2.544 306 Y HA 0.402 4.950 4.550 -0.003 0.000 0.342 306 Y C -2.551 173.311 175.900 -0.063 0.000 1.062 306 Y CA -3.088 55.019 58.100 0.012 0.000 1.023 306 Y CB 0.980 39.418 38.460 -0.037 0.000 1.308 306 Y HN -0.192 nan 8.280 nan 0.000 0.457 307 P HA -0.117 nan 4.420 nan 0.000 0.222 307 P C 0.055 177.270 177.300 -0.143 0.000 1.147 307 P CA 1.571 64.447 63.100 -0.375 0.000 0.790 307 P CB 0.369 31.764 31.700 -0.509 0.000 0.780 308 E N -0.629 119.597 120.200 0.043 0.000 2.479 308 E HA 0.024 4.372 4.350 -0.003 0.000 0.193 308 E C 0.464 177.104 176.600 0.065 0.000 1.049 308 E CA -0.084 56.385 56.400 0.114 0.000 0.870 308 E CB -0.728 29.102 29.700 0.216 0.000 0.944 308 E HN 0.196 nan 8.360 nan 0.000 0.492 309 D N 0.071 120.276 120.400 -0.326 0.000 2.493 309 D HA -0.015 4.623 4.640 -0.003 0.000 0.240 309 D C 0.340 176.582 176.300 -0.096 0.000 1.142 309 D CA 0.339 54.055 54.000 -0.473 0.000 0.872 309 D CB 0.737 40.971 40.800 -0.944 0.000 1.173 309 D HN -0.012 nan 8.370 nan 0.000 0.467 310 S N 2.620 118.331 115.700 0.018 0.000 2.578 310 S HA -0.025 4.443 4.470 -0.003 0.000 0.228 310 S C 0.437 175.101 174.600 0.107 0.000 1.022 310 S CA -0.524 57.710 58.200 0.057 0.000 0.967 310 S CB -0.154 63.082 63.200 0.060 0.000 0.914 310 S HN 0.528 nan 8.310 nan 0.000 0.515 311 Y N 3.209 123.507 120.300 -0.003 0.000 2.770 311 Y HA 0.104 4.652 4.550 -0.003 0.000 0.342 311 Y C 0.064 176.028 175.900 0.108 0.000 1.221 311 Y CA -0.560 57.561 58.100 0.034 0.000 1.560 311 Y CB -1.053 37.495 38.460 0.146 0.000 1.213 311 Y HN 0.318 nan 8.280 nan 0.000 0.525 312 Y N 4.292 124.469 120.300 -0.205 0.000 4.324 312 Y HA -0.432 4.117 4.550 -0.003 0.000 0.224 312 Y C 1.116 176.922 175.900 -0.157 0.000 1.113 312 Y CA 1.082 59.022 58.100 -0.267 0.000 1.887 312 Y CB -1.755 36.432 38.460 -0.456 0.000 1.602 312 Y HN 0.891 nan 8.280 nan 0.000 0.654 313 N N -2.651 116.054 118.700 0.008 0.000 2.968 313 N HA -0.120 4.618 4.740 -0.003 0.000 0.199 313 N C 0.485 176.003 175.510 0.014 0.000 0.935 313 N CA 1.577 54.630 53.050 0.004 0.000 1.036 313 N CB -1.309 37.171 38.487 -0.012 0.000 1.008 313 N HN 1.479 nan 8.380 nan 0.000 0.568 314 G N 1.087 109.900 108.800 0.022 0.000 3.313 314 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.563 314 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.563 314 G C -0.723 174.161 174.900 -0.027 0.000 1.037 314 G CA 0.128 45.242 45.100 0.024 0.000 0.848 314 G HN 0.427 nan 8.290 nan 0.000 0.416 315 N N 2.405 121.016 118.700 -0.148 0.000 2.509 315 N HA 0.659 5.397 4.740 -0.003 0.000 0.280 315 N C -2.892 172.260 175.510 -0.596 0.000 1.306 315 N CA -1.422 51.292 53.050 -0.561 0.000 0.782 315 N CB 2.500 40.695 38.487 -0.487 0.000 1.493 315 N HN 0.263 nan 8.380 nan 0.000 0.498 316 P HA 0.139 nan 4.420 nan 0.000 0.269 316 P C -0.810 176.055 177.300 -0.725 0.000 1.215 316 P CA 0.214 62.719 63.100 -0.992 0.000 0.780 316 P CB 0.422 31.117 31.700 -1.676 0.000 0.898 317 W N 1.190 122.058 121.300 -0.720 0.000 2.736 317 W HA 0.374 5.032 4.660 -0.003 0.000 0.335 317 W C 0.924 177.323 176.519 -0.200 0.000 1.059 317 W CA -0.379 56.706 57.345 -0.433 0.000 1.226 317 W CB 0.168 29.416 29.460 -0.353 0.000 1.416 317 W HN 0.353 nan 8.180 nan 0.000 0.505 318 F N 1.813 121.909 119.950 0.243 0.000 2.095 318 F HA -0.271 4.255 4.527 -0.003 0.000 0.298 318 F C 2.283 178.152 175.800 0.115 0.000 1.104 318 F CA 2.041 60.169 58.000 0.213 0.000 1.232 318 F CB -0.973 38.064 39.000 0.061 0.000 0.987 318 F HN 0.282 nan 8.300 nan 0.000 0.475 319 L N -1.814 119.543 121.223 0.223 0.000 2.141 319 L HA -0.082 4.256 4.340 -0.003 0.000 0.209 319 L C 1.969 178.862 176.870 0.038 0.000 1.094 319 L CA 1.265 56.142 54.840 0.060 0.000 0.763 319 L CB -1.687 40.243 42.059 -0.215 0.000 0.908 319 L HN 0.101 nan 8.230 nan 0.000 0.437 320 C N 0.080 119.397 119.300 0.029 0.000 2.466 320 C HA -0.044 4.415 4.460 -0.003 0.000 0.278 320 C C 2.700 177.634 174.990 -0.094 0.000 1.288 320 C CA 1.172 60.149 59.018 -0.068 0.000 1.722 320 C CB -1.183 26.436 27.740 -0.203 0.000 2.017 320 C HN 0.664 nan 8.230 nan 0.000 0.488 321 T N 1.720 116.257 114.554 -0.028 0.000 2.788 321 T HA -0.096 4.253 4.350 -0.003 0.000 0.268 321 T C 1.691 176.387 174.700 -0.007 0.000 1.044 321 T CA 1.222 63.330 62.100 0.013 0.000 1.139 321 T CB -0.290 68.687 68.868 0.182 0.000 0.867 321 T HN 0.452 nan 8.240 nan 0.000 0.454 322 L N 0.598 121.865 121.223 0.073 0.000 2.141 322 L HA -0.002 4.337 4.340 -0.003 0.000 0.209 322 L C 2.972 179.851 176.870 0.014 0.000 1.094 322 L CA 0.937 55.835 54.840 0.097 0.000 0.763 322 L CB -0.563 41.601 42.059 0.176 0.000 0.908 322 L HN 0.232 nan 8.230 nan 0.000 0.437 323 A N 0.051 122.860 122.820 -0.019 0.000 1.930 323 A HA -0.136 4.183 4.320 -0.003 0.000 0.217 323 A C 2.535 180.033 177.584 -0.143 0.000 1.175 323 A CA 1.531 53.547 52.037 -0.035 0.000 0.627 323 A CB -0.622 18.382 19.000 0.006 0.000 0.815 323 A HN 0.378 nan 8.150 nan 0.000 0.443 324 A N -0.266 122.366 122.820 -0.312 0.000 1.933 324 A HA 0.151 4.469 4.320 -0.003 0.000 0.218 324 A C 2.405 179.657 177.584 -0.554 0.000 1.175 324 A CA 2.095 53.789 52.037 -0.571 0.000 0.628 324 A CB -0.743 17.569 19.000 -1.145 0.000 0.814 324 A HN 0.989 nan 8.150 nan 0.000 0.444 325 A N -0.753 121.762 122.820 -0.509 0.000 1.935 325 A HA 0.007 4.325 4.320 -0.003 0.000 0.214 325 A C 1.957 179.310 177.584 -0.386 0.000 1.178 325 A CA 1.367 53.157 52.037 -0.411 0.000 0.640 325 A CB -0.398 18.512 19.000 -0.151 0.000 0.825 325 A HN 0.608 nan 8.150 nan 0.000 0.447 326 E N -0.260 119.872 120.200 -0.114 0.000 2.110 326 E HA -0.267 4.082 4.350 -0.003 0.000 0.193 326 E C 2.130 178.658 176.600 -0.119 0.000 0.988 326 E CA 1.317 57.725 56.400 0.013 0.000 0.804 326 E CB -0.145 29.582 29.700 0.045 0.000 0.745 326 E HN 0.731 nan 8.360 nan 0.000 0.458 327 Q N 0.216 119.924 119.800 -0.154 0.000 2.084 327 Q HA -0.185 4.153 4.340 -0.003 0.000 0.202 327 Q C 2.273 178.102 176.000 -0.284 0.000 0.978 327 Q CA 1.369 57.062 55.803 -0.183 0.000 0.844 327 Q CB -0.012 28.694 28.738 -0.053 0.000 0.898 327 Q HN 0.393 nan 8.270 nan 0.000 0.426 328 L N -0.626 120.412 121.223 -0.308 0.000 2.056 328 L HA -0.177 4.161 4.340 -0.003 0.000 0.207 328 L C 2.239 178.975 176.870 -0.224 0.000 1.078 328 L CA 0.950 55.612 54.840 -0.296 0.000 0.749 328 L CB -0.668 41.254 42.059 -0.229 0.000 0.901 328 L HN 0.254 nan 8.230 nan 0.000 0.433 329 Y N 0.373 120.614 120.300 -0.098 0.000 2.274 329 Y HA -0.230 4.318 4.550 -0.003 0.000 0.290 329 Y C 2.399 178.199 175.900 -0.167 0.000 1.145 329 Y CA 0.825 58.882 58.100 -0.072 0.000 1.203 329 Y CB -0.750 37.693 38.460 -0.028 0.000 0.984 329 Y HN 0.214 nan 8.280 nan 0.000 0.533 330 D N -0.412 119.857 120.400 -0.219 0.000 2.097 330 D HA -0.128 4.510 4.640 -0.003 0.000 0.197 330 D C 2.334 178.356 176.300 -0.464 0.000 0.984 330 D CA 1.504 55.130 54.000 -0.625 0.000 0.826 330 D CB -0.536 39.662 40.800 -1.004 0.000 0.973 330 D HN 0.264 nan 8.370 nan 0.000 0.460 331 A N 0.511 123.020 122.820 -0.517 0.000 1.902 331 A HA -0.132 4.187 4.320 -0.003 0.000 0.217 331 A C 2.388 179.426 177.584 -0.910 0.000 1.181 331 A CA 1.013 52.532 52.037 -0.864 0.000 0.623 331 A CB -0.849 17.525 19.000 -1.044 0.000 0.818 331 A HN 0.216 nan 8.150 nan 0.000 0.443 332 L N -2.171 118.815 121.223 -0.394 0.000 2.042 332 L HA -0.225 4.113 4.340 -0.003 0.000 0.210 332 L C 2.579 179.524 176.870 0.124 0.000 1.076 332 L CA 1.969 56.829 54.840 0.034 0.000 0.749 332 L CB -0.707 41.468 42.059 0.193 0.000 0.893 332 L HN 0.600 nan 8.230 nan 0.000 0.432 333 Y N 0.731 121.030 120.300 -0.003 0.000 2.128 333 Y HA -0.319 4.229 4.550 -0.002 0.000 0.284 333 Y C 2.737 178.706 175.900 0.116 0.000 1.154 333 Y CA 1.792 59.946 58.100 0.089 0.000 1.149 333 Y CB -0.213 38.317 38.460 0.117 0.000 0.976 333 Y HN 0.176 nan 8.280 nan 0.000 0.505 334 Q N -0.931 118.973 119.800 0.173 0.000 2.061 334 Q HA -0.252 4.086 4.340 -0.003 0.000 0.204 334 Q C 2.096 178.184 176.000 0.146 0.000 0.984 334 Q CA 1.869 57.753 55.803 0.135 0.000 0.846 334 Q CB -0.570 28.217 28.738 0.082 0.000 0.902 334 Q HN 0.578 nan 8.270 nan 0.000 0.421 335 W N 1.109 122.497 121.300 0.146 0.000 2.358 335 W HA -0.169 4.490 4.660 -0.002 0.000 0.303 335 W C 1.820 178.451 176.519 0.188 0.000 1.208 335 W CA 1.138 58.593 57.345 0.184 0.000 1.274 335 W CB -1.124 28.456 29.460 0.200 0.000 1.138 335 W HN 0.343 nan 8.180 nan 0.000 0.515 336 D N 0.037 120.648 120.400 0.351 0.000 2.097 336 D HA -0.194 4.444 4.640 -0.003 0.000 0.195 336 D C 2.113 178.436 176.300 0.038 0.000 0.989 336 D CA 1.909 56.027 54.000 0.197 0.000 0.827 336 D CB -0.158 40.708 40.800 0.111 0.000 0.966 336 D HN -0.056 nan 8.370 nan 0.000 0.456 337 K N -0.365 119.986 120.400 -0.082 0.000 2.097 337 K HA -0.120 4.198 4.320 -0.003 0.000 0.205 337 K C 2.141 178.745 176.600 0.007 0.000 1.050 337 K CA 0.969 57.196 56.287 -0.099 0.000 0.938 337 K CB 0.057 32.451 32.500 -0.175 0.000 0.718 337 K HN 0.317 nan 8.250 nan 0.000 0.442 338 Q N -0.958 118.887 119.800 0.076 0.000 2.172 338 Q HA -0.027 4.311 4.340 -0.003 0.000 0.200 338 Q C 1.096 177.135 176.000 0.065 0.000 0.964 338 Q CA 1.108 56.966 55.803 0.091 0.000 0.855 338 Q CB 0.244 29.074 28.738 0.154 0.000 0.918 338 Q HN 0.606 nan 8.270 nan 0.000 0.444 339 G N 1.635 110.479 108.800 0.074 0.000 2.136 339 G HA2 -0.267 3.692 3.960 -0.003 0.000 0.242 339 G HA3 -0.267 3.692 3.960 -0.003 0.000 0.242 339 G C 0.117 174.980 174.900 -0.062 0.000 0.989 339 G CA 0.431 45.519 45.100 -0.020 0.000 0.682 339 G HN 0.569 nan 8.290 nan 0.000 0.522 340 S N -1.403 114.349 115.700 0.087 0.000 2.615 340 S HA 0.793 5.261 4.470 -0.003 0.000 0.268 340 S C -1.064 173.669 174.600 0.221 0.000 1.146 340 S CA -0.164 58.094 58.200 0.097 0.000 0.818 340 S CB 2.422 65.636 63.200 0.024 0.000 1.111 340 S HN 1.848 nan 8.310 nan 0.000 0.465 341 L N 0.222 121.508 121.223 0.105 0.000 2.434 341 L HA 0.783 5.122 4.340 -0.003 0.000 0.260 341 L C -1.359 175.454 176.870 -0.094 0.000 0.983 341 L CA -0.369 54.342 54.840 -0.216 0.000 0.820 341 L CB 2.014 43.624 42.059 -0.750 0.000 1.361 341 L HN 1.030 nan 8.230 nan 0.000 0.410 342 E N 3.648 123.802 120.200 -0.077 0.000 2.222 342 E HA 0.540 4.889 4.350 -0.003 0.000 0.267 342 E C -1.532 175.023 176.600 -0.075 0.000 0.884 342 E CA -0.805 55.573 56.400 -0.036 0.000 0.764 342 E CB 2.340 32.056 29.700 0.026 0.000 1.169 342 E HN 0.645 nan 8.360 nan 0.000 0.413 343 I N 3.153 123.675 120.570 -0.080 0.000 2.404 343 I HA 0.294 4.462 4.170 -0.003 0.000 0.293 343 I C 0.371 176.528 176.117 0.066 0.000 0.992 343 I CA -0.504 60.750 61.300 -0.077 0.000 1.149 343 I CB 1.795 39.675 38.000 -0.200 0.000 1.315 343 I HN 0.528 nan 8.210 nan 0.000 0.446 344 T N -0.465 114.174 114.554 0.141 0.000 2.910 344 T HA 0.310 4.658 4.350 -0.003 0.000 0.287 344 T C 0.501 175.294 174.700 0.154 0.000 1.050 344 T CA -0.673 61.500 62.100 0.122 0.000 1.011 344 T CB 1.995 70.926 68.868 0.105 0.000 1.195 344 T HN 0.420 nan 8.240 nan 0.000 0.540 345 D N 0.118 120.594 120.400 0.127 0.000 2.178 345 D HA -0.050 4.588 4.640 -0.003 0.000 0.201 345 D C 2.192 178.595 176.300 0.173 0.000 0.980 345 D CA 0.712 54.794 54.000 0.136 0.000 0.842 345 D CB -0.205 40.660 40.800 0.108 0.000 0.948 345 D HN 0.348 nan 8.370 nan 0.000 0.472 346 V N 1.092 121.115 119.914 0.183 0.000 2.307 346 V HA -0.184 3.934 4.120 -0.003 0.000 0.245 346 V C 2.263 178.512 176.094 0.259 0.000 1.045 346 V CA 2.010 64.446 62.300 0.228 0.000 1.024 346 V CB -0.434 31.506 31.823 0.196 0.000 0.651 346 V HN 0.240 nan 8.190 nan 0.000 0.449 347 S N -0.592 115.273 115.700 0.274 0.000 2.575 347 S HA 0.068 4.536 4.470 -0.003 0.000 0.215 347 S C 1.648 176.529 174.600 0.469 0.000 0.966 347 S CA 0.175 58.589 58.200 0.358 0.000 0.911 347 S CB -0.020 63.437 63.200 0.429 0.000 0.780 347 S HN 0.346 nan 8.310 nan 0.000 0.514 348 L N 2.714 124.155 121.223 0.363 0.000 2.043 348 L HA -0.143 4.195 4.340 -0.003 0.000 0.212 348 L C 1.613 178.660 176.870 0.295 0.000 1.075 348 L CA 2.081 57.120 54.840 0.332 0.000 0.752 348 L CB -0.848 41.335 42.059 0.207 0.000 0.891 348 L HN 0.116 nan 8.230 nan 0.000 0.432 349 D N -1.230 119.314 120.400 0.239 0.000 2.117 349 D HA -0.239 4.400 4.640 -0.003 0.000 0.197 349 D C 1.966 178.354 176.300 0.146 0.000 0.987 349 D CA 1.501 55.603 54.000 0.169 0.000 0.829 349 D CB -0.304 40.591 40.800 0.158 0.000 0.961 349 D HN 0.446 nan 8.370 nan 0.000 0.460 350 F N 0.331 120.317 119.950 0.060 0.000 2.069 350 F HA -0.217 4.308 4.527 -0.003 0.000 0.298 350 F C 1.938 177.661 175.800 -0.129 0.000 1.113 350 F CA 1.408 59.369 58.000 -0.066 0.000 1.214 350 F CB -0.441 38.456 39.000 -0.171 0.000 0.978 350 F HN -0.137 nan 8.300 nan 0.000 0.474 351 F N 0.835 120.818 119.950 0.055 0.000 2.113 351 F HA -0.085 4.441 4.527 -0.002 0.000 0.297 351 F C 2.573 178.315 175.800 -0.096 0.000 1.103 351 F CA 1.796 59.770 58.000 -0.044 0.000 1.248 351 F CB -1.050 38.011 39.000 0.101 0.000 0.999 351 F HN -0.140 nan 8.300 nan 0.000 0.475 352 K N 0.251 120.738 120.400 0.145 0.000 2.103 352 K HA -0.183 4.135 4.320 -0.003 0.000 0.207 352 K C 2.158 178.723 176.600 -0.057 0.000 1.048 352 K CA 1.160 57.471 56.287 0.041 0.000 0.930 352 K CB -0.323 32.207 32.500 0.049 0.000 0.716 352 K HN 0.238 nan 8.250 nan 0.000 0.444 353 A N 0.416 123.164 122.820 -0.121 0.000 2.067 353 A HA -0.070 4.248 4.320 -0.003 0.000 0.219 353 A C 1.808 179.238 177.584 -0.257 0.000 1.158 353 A CA 1.103 53.029 52.037 -0.185 0.000 0.661 353 A CB -0.180 18.689 19.000 -0.218 0.000 0.801 353 A HN 0.279 nan 8.150 nan 0.000 0.452 354 L N -3.521 117.529 121.223 -0.288 0.000 2.575 354 L HA 0.239 4.577 4.340 -0.003 0.000 0.228 354 L C 0.377 177.225 176.870 -0.036 0.000 1.075 354 L CA 0.201 54.882 54.840 -0.264 0.000 0.867 354 L CB 0.394 42.200 42.059 -0.421 0.000 1.097 354 L HN 0.440 nan 8.230 nan 0.000 0.485 355 Y N 0.057 120.274 120.300 -0.138 0.000 2.475 355 Y HA 0.166 4.715 4.550 -0.003 0.000 0.343 355 Y C 1.105 176.960 175.900 -0.075 0.000 1.068 355 Y CA -1.197 56.846 58.100 -0.095 0.000 1.307 355 Y CB 0.851 39.257 38.460 -0.091 0.000 1.097 355 Y HN 0.061 nan 8.280 nan 0.000 0.530 356 S N 1.136 116.627 115.700 -0.348 0.000 2.465 356 S HA -0.123 4.345 4.470 -0.003 0.000 0.241 356 S C 1.671 176.022 174.600 -0.415 0.000 1.000 356 S CA 1.107 59.124 58.200 -0.304 0.000 0.964 356 S CB -0.133 62.943 63.200 -0.208 0.000 0.763 356 S HN 0.877 nan 8.310 nan 0.000 0.512 357 G N 0.723 109.023 108.800 -0.834 0.000 3.233 357 G HA2 0.521 4.480 3.960 -0.003 0.000 0.227 357 G HA3 0.521 4.480 3.960 -0.003 0.000 0.227 357 G C 0.319 175.052 174.900 -0.279 0.000 1.175 357 G CA -0.024 44.738 45.100 -0.564 0.000 0.781 357 G HN 0.714 nan 8.290 nan 0.000 0.542 358 A N 0.101 122.834 122.820 -0.145 0.000 2.498 358 A HA 0.651 4.970 4.320 -0.003 0.000 0.239 358 A C 0.495 178.113 177.584 0.056 0.000 1.068 358 A CA 0.731 52.829 52.037 0.103 0.000 0.766 358 A CB 0.343 19.444 19.000 0.169 0.000 1.003 358 A HN 1.289 nan 8.150 nan 0.000 0.497 359 A N 1.811 124.683 122.820 0.085 0.000 2.572 359 A HA 0.744 5.063 4.320 -0.003 0.000 0.295 359 A C 0.177 177.866 177.584 0.176 0.000 1.072 359 A CA 0.016 52.126 52.037 0.120 0.000 0.691 359 A CB 0.458 19.534 19.000 0.127 0.000 1.291 359 A HN 1.846 nan 8.150 nan 0.000 0.404 360 T N -0.377 114.250 114.554 0.123 0.000 2.855 360 T HA 0.608 4.956 4.350 -0.003 0.000 0.314 360 T C 0.669 175.405 174.700 0.059 0.000 1.077 360 T CA 0.613 62.772 62.100 0.098 0.000 1.095 360 T CB 1.017 69.924 68.868 0.066 0.000 0.987 360 T HN 2.591 nan 8.240 nan 0.000 0.546 361 G N 0.480 109.253 108.800 -0.045 0.000 2.369 361 G HA2 0.383 4.341 3.960 -0.003 0.000 0.295 361 G HA3 0.383 4.341 3.960 -0.003 0.000 0.295 361 G C -0.917 173.702 174.900 -0.470 0.000 1.298 361 G CA -0.627 44.293 45.100 -0.300 0.000 0.940 361 G HN 0.901 nan 8.290 nan 0.000 0.536 362 T N 0.689 114.868 114.554 -0.624 0.000 2.779 362 T HA 0.635 4.984 4.350 -0.003 0.000 0.280 362 T C -1.372 172.921 174.700 -0.679 0.000 0.987 362 T CA -0.028 61.799 62.100 -0.456 0.000 0.966 362 T CB 1.039 69.773 68.868 -0.223 0.000 0.933 362 T HN 0.431 nan 8.240 nan 0.000 0.442 363 Y N 1.853 122.102 120.300 -0.085 0.000 2.338 363 Y HA 0.434 4.982 4.550 -0.003 0.000 0.328 363 Y C 1.000 176.872 175.900 -0.047 0.000 0.965 363 Y CA -1.090 56.974 58.100 -0.059 0.000 1.208 363 Y CB 1.102 39.516 38.460 -0.077 0.000 1.132 363 Y HN 0.706 nan 8.280 nan 0.000 0.469 364 S N 0.440 116.138 115.700 -0.002 0.000 2.589 364 S HA 0.038 4.507 4.470 -0.003 0.000 0.265 364 S C 1.275 175.649 174.600 -0.376 0.000 1.342 364 S CA -0.065 58.052 58.200 -0.138 0.000 1.005 364 S CB 1.073 64.203 63.200 -0.116 0.000 0.909 364 S HN 0.763 nan 8.310 nan 0.000 0.555 365 S N 0.640 115.935 115.700 -0.676 0.000 2.507 365 S HA -0.079 4.390 4.470 -0.003 0.000 0.235 365 S C 1.458 175.706 174.600 -0.586 0.000 0.988 365 S CA 0.633 58.052 58.200 -1.301 0.000 0.944 365 S CB -0.920 61.749 63.200 -0.885 0.000 0.762 365 S HN 0.996 nan 8.310 nan 0.000 0.526 366 S N 1.151 116.680 115.700 -0.285 0.000 2.556 366 S HA 0.235 4.703 4.470 -0.003 0.000 0.216 366 S C 0.782 175.349 174.600 -0.055 0.000 0.970 366 S CA -0.132 57.994 58.200 -0.124 0.000 0.912 366 S CB -0.329 62.820 63.200 -0.085 0.000 0.790 366 S HN 0.637 nan 8.310 nan 0.000 0.504 367 S N 1.003 116.679 115.700 -0.040 0.000 2.617 367 S HA 0.427 4.896 4.470 -0.003 0.000 0.269 367 S C 0.978 175.613 174.600 0.058 0.000 1.292 367 S CA -0.394 57.827 58.200 0.034 0.000 1.010 367 S CB 1.293 64.548 63.200 0.091 0.000 0.944 367 S HN 0.110 nan 8.310 nan 0.000 0.536 368 S N 1.514 117.239 115.700 0.041 0.000 2.368 368 S HA -0.073 4.395 4.470 -0.003 0.000 0.224 368 S C 1.941 176.507 174.600 -0.055 0.000 1.029 368 S CA 1.628 59.837 58.200 0.015 0.000 0.988 368 S CB -0.810 62.405 63.200 0.025 0.000 0.838 368 S HN 0.885 nan 8.310 nan 0.000 0.462 369 T N 0.900 115.402 114.554 -0.087 0.000 2.746 369 T HA -0.128 4.220 4.350 -0.003 0.000 0.267 369 T C 1.511 175.956 174.700 -0.425 0.000 1.039 369 T CA 1.456 63.340 62.100 -0.361 0.000 1.142 369 T CB -0.489 68.030 68.868 -0.581 0.000 0.866 369 T HN 0.502 nan 8.240 nan 0.000 0.444 370 Y N 1.877 121.990 120.300 -0.312 0.000 2.070 370 Y HA -0.218 4.331 4.550 -0.003 0.000 0.280 370 Y C 2.903 178.679 175.900 -0.206 0.000 1.148 370 Y CA 1.847 59.799 58.100 -0.248 0.000 1.125 370 Y CB -0.793 37.603 38.460 -0.107 0.000 0.975 370 Y HN 0.171 nan 8.280 nan 0.000 0.492 371 S N -0.882 114.885 115.700 0.112 0.000 2.374 371 S HA -0.247 4.221 4.470 -0.003 0.000 0.227 371 S C 2.181 176.719 174.600 -0.103 0.000 1.037 371 S CA 2.018 60.247 58.200 0.049 0.000 1.024 371 S CB -0.699 62.545 63.200 0.073 0.000 0.861 371 S HN 0.604 nan 8.310 nan 0.000 0.456 372 S N 0.661 116.226 115.700 -0.225 0.000 2.395 372 S HA 0.148 4.617 4.470 -0.003 0.000 0.225 372 S C 1.749 176.114 174.600 -0.391 0.000 1.027 372 S CA 1.075 59.089 58.200 -0.309 0.000 0.965 372 S CB -0.316 62.599 63.200 -0.474 0.000 0.812 372 S HN 0.515 nan 8.310 nan 0.000 0.482 373 I N 1.665 121.917 120.570 -0.529 0.000 2.163 373 I HA -0.149 4.019 4.170 -0.003 0.000 0.240 373 I C 2.516 178.521 176.117 -0.186 0.000 1.081 373 I CA 1.096 62.166 61.300 -0.383 0.000 1.353 373 I CB -0.498 37.230 38.000 -0.454 0.000 1.054 373 I HN 0.246 nan 8.210 nan 0.000 0.407 374 V N -1.845 117.911 119.914 -0.263 0.000 2.407 374 V HA -0.230 3.888 4.120 -0.003 0.000 0.248 374 V C 2.354 178.461 176.094 0.022 0.000 1.055 374 V CA 2.209 64.453 62.300 -0.093 0.000 1.049 374 V CB -0.894 30.800 31.823 -0.216 0.000 0.662 374 V HN 0.331 nan 8.190 nan 0.000 0.455 375 S N 1.270 116.966 115.700 -0.006 0.000 2.356 375 S HA -0.075 4.393 4.470 -0.003 0.000 0.223 375 S C 2.310 176.949 174.600 0.065 0.000 1.032 375 S CA 1.787 60.012 58.200 0.042 0.000 1.005 375 S CB -0.815 62.400 63.200 0.024 0.000 0.867 375 S HN 1.000 nan 8.310 nan 0.000 0.449 376 A N 1.100 123.940 122.820 0.033 0.000 1.902 376 A HA -0.046 4.273 4.320 -0.003 0.000 0.217 376 A C 2.347 179.993 177.584 0.103 0.000 1.181 376 A CA 1.530 53.594 52.037 0.045 0.000 0.623 376 A CB -0.874 18.129 19.000 0.005 0.000 0.818 376 A HN 0.348 nan 8.150 nan 0.000 0.443 377 V N 0.264 120.262 119.914 0.140 0.000 2.358 377 V HA -0.224 3.894 4.120 -0.003 0.000 0.246 377 V C 2.559 178.815 176.094 0.270 0.000 1.047 377 V CA 2.378 64.834 62.300 0.258 0.000 1.035 377 V CB -0.620 31.428 31.823 0.375 0.000 0.658 377 V HN 0.656 nan 8.190 nan 0.000 0.452 378 K N 0.648 121.183 120.400 0.225 0.000 2.057 378 K HA -0.162 4.157 4.320 -0.003 0.000 0.207 378 K C 2.059 178.796 176.600 0.229 0.000 1.049 378 K CA 2.260 58.691 56.287 0.241 0.000 0.931 378 K CB -0.839 31.794 32.500 0.222 0.000 0.714 378 K HN 0.446 nan 8.250 nan 0.000 0.440 379 T N 0.371 115.041 114.554 0.193 0.000 2.821 379 T HA -0.067 4.281 4.350 -0.003 0.000 0.267 379 T C 1.362 176.176 174.700 0.190 0.000 1.046 379 T CA 1.240 63.438 62.100 0.164 0.000 1.139 379 T CB -0.404 68.536 68.868 0.120 0.000 0.871 379 T HN 0.262 nan 8.240 nan 0.000 0.454 380 F N 2.291 122.265 119.950 0.040 0.000 2.128 380 F HA 0.133 4.659 4.527 -0.002 0.000 0.295 380 F C 2.439 178.300 175.800 0.102 0.000 1.100 380 F CA 0.772 58.777 58.000 0.009 0.000 1.260 380 F CB -0.903 38.115 39.000 0.030 0.000 1.009 380 F HN 0.128 nan 8.300 nan 0.000 0.476 381 A N 0.248 123.149 122.820 0.135 0.000 1.883 381 A HA -0.244 4.074 4.320 -0.003 0.000 0.217 381 A C 1.986 179.626 177.584 0.093 0.000 1.186 381 A CA 2.200 54.224 52.037 -0.023 0.000 0.624 381 A CB -1.222 17.499 19.000 -0.465 0.000 0.822 381 A HN 0.443 nan 8.150 nan 0.000 0.444 382 D N -0.438 120.073 120.400 0.186 0.000 2.182 382 D HA -0.073 4.566 4.640 -0.003 0.000 0.201 382 D C 2.042 178.408 176.300 0.109 0.000 0.986 382 D CA 1.317 55.457 54.000 0.234 0.000 0.847 382 D CB -0.698 40.231 40.800 0.215 0.000 0.942 382 D HN 0.451 nan 8.370 nan 0.000 0.467 383 G N -0.053 108.744 108.800 -0.006 0.000 2.446 383 G HA2 -0.277 3.682 3.960 -0.003 0.000 0.217 383 G HA3 -0.277 3.682 3.960 -0.003 0.000 0.217 383 G C 1.410 176.205 174.900 -0.176 0.000 1.168 383 G CA 0.470 45.483 45.100 -0.145 0.000 0.771 383 G HN 0.239 nan 8.290 nan 0.000 0.551 384 F N 0.534 120.427 119.950 -0.094 0.000 2.134 384 F HA -0.049 4.476 4.527 -0.003 0.000 0.299 384 F C 2.873 178.672 175.800 -0.002 0.000 1.097 384 F CA 0.832 58.789 58.000 -0.072 0.000 1.264 384 F CB -0.752 38.178 39.000 -0.116 0.000 1.001 384 F HN -0.028 nan 8.300 nan 0.000 0.479 385 V N -0.963 119.094 119.914 0.237 0.000 2.407 385 V HA -0.277 3.841 4.120 -0.003 0.000 0.248 385 V C 2.314 178.433 176.094 0.042 0.000 1.055 385 V CA 2.067 64.490 62.300 0.206 0.000 1.049 385 V CB -0.918 31.085 31.823 0.301 0.000 0.662 385 V HN 0.297 nan 8.190 nan 0.000 0.455 386 S N -0.228 115.462 115.700 -0.018 0.000 2.382 386 S HA -0.097 4.371 4.470 -0.003 0.000 0.228 386 S C 1.857 176.332 174.600 -0.208 0.000 1.027 386 S CA 1.479 59.592 58.200 -0.144 0.000 0.991 386 S CB -0.323 62.816 63.200 -0.100 0.000 0.823 386 S HN 0.529 nan 8.310 nan 0.000 0.469 387 I N 0.771 121.277 120.570 -0.107 0.000 2.226 387 I HA -0.140 4.029 4.170 -0.003 0.000 0.245 387 I C 2.148 178.157 176.117 -0.180 0.000 1.100 387 I CA 0.792 62.040 61.300 -0.086 0.000 1.374 387 I CB -0.400 37.632 38.000 0.053 0.000 1.057 387 I HN 0.151 nan 8.210 nan 0.000 0.413 388 V N 0.866 120.711 119.914 -0.116 0.000 2.261 388 V HA -0.319 3.800 4.120 -0.003 0.000 0.246 388 V C 2.538 178.512 176.094 -0.200 0.000 1.047 388 V CA 2.299 64.596 62.300 -0.005 0.000 1.015 388 V CB -0.663 31.301 31.823 0.236 0.000 0.642 388 V HN 0.523 nan 8.190 nan 0.000 0.446 389 E N -0.163 119.655 120.200 -0.637 0.000 2.118 389 E HA -0.257 4.092 4.350 -0.003 0.000 0.195 389 E C 2.127 178.258 176.600 -0.781 0.000 0.992 389 E CA 1.947 57.522 56.400 -1.375 0.000 0.804 389 E CB -0.166 28.450 29.700 -1.807 0.000 0.741 389 E HN 0.606 nan 8.360 nan 0.000 0.458 390 T N 0.018 114.204 114.554 -0.613 0.000 2.833 390 T HA -0.108 4.240 4.350 -0.003 0.000 0.269 390 T C 1.126 175.400 174.700 -0.709 0.000 1.054 390 T CA 1.197 62.911 62.100 -0.642 0.000 1.135 390 T CB -0.169 68.266 68.868 -0.722 0.000 0.869 390 T HN 0.346 nan 8.240 nan 0.000 0.466 391 H N -0.195 118.719 119.070 -0.260 0.000 2.586 391 H HA 0.560 5.115 4.556 -0.003 0.000 0.273 391 H C 1.078 176.416 175.328 0.017 0.000 0.997 391 H CA -0.212 55.727 56.048 -0.182 0.000 1.177 391 H CB -0.034 29.427 29.762 -0.502 0.000 1.471 391 H HN 0.299 nan 8.280 nan 0.000 0.538 392 A N 1.502 124.345 122.820 0.039 0.000 2.406 392 A HA 0.500 4.818 4.320 -0.003 0.000 0.243 392 A C 0.719 178.322 177.584 0.031 0.000 1.082 392 A CA 0.154 52.194 52.037 0.005 0.000 0.786 392 A CB 0.160 19.251 19.000 0.150 0.000 1.029 392 A HN 0.368 nan 8.150 nan 0.000 0.495 393 A N 0.765 123.596 122.820 0.018 0.000 2.366 393 A HA 0.442 4.760 4.320 -0.003 0.000 0.249 393 A C 1.528 179.149 177.584 0.062 0.000 1.084 393 A CA 0.278 52.332 52.037 0.028 0.000 0.794 393 A CB -0.226 18.779 19.000 0.009 0.000 1.034 393 A HN 1.694 nan 8.150 nan 0.000 0.491 394 S N 1.032 116.760 115.700 0.048 0.000 2.420 394 S HA -0.219 4.249 4.470 -0.003 0.000 0.237 394 S C 1.160 175.807 174.600 0.079 0.000 1.023 394 S CA 1.476 59.713 58.200 0.063 0.000 0.991 394 S CB -0.550 62.672 63.200 0.037 0.000 0.792 394 S HN 0.945 nan 8.310 nan 0.000 0.488 395 N N 1.215 119.955 118.700 0.066 0.000 2.322 395 N HA 0.233 4.971 4.740 -0.003 0.000 0.194 395 N C 1.117 176.674 175.510 0.078 0.000 1.126 395 N CA 0.669 53.757 53.050 0.064 0.000 0.845 395 N CB -0.263 38.256 38.487 0.054 0.000 0.976 395 N HN 0.575 nan 8.380 nan 0.000 0.475 396 G N -0.949 107.917 108.800 0.110 0.000 2.176 396 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.232 396 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.232 396 G C -0.167 174.823 174.900 0.150 0.000 0.986 396 G CA 0.120 45.296 45.100 0.127 0.000 0.643 396 G HN 0.410 nan 8.290 nan 0.000 0.522 397 S N 0.466 116.242 115.700 0.126 0.000 2.546 397 S HA 0.477 4.945 4.470 -0.003 0.000 0.290 397 S C 0.478 175.029 174.600 -0.082 0.000 1.290 397 S CA 0.250 58.535 58.200 0.141 0.000 1.069 397 S CB 0.395 63.632 63.200 0.061 0.000 0.846 397 S HN 0.441 nan 8.310 nan 0.000 0.495 398 L N 3.041 124.126 121.223 -0.231 0.000 2.325 398 L HA 0.437 4.776 4.340 -0.003 0.000 0.281 398 L C 0.478 177.029 176.870 -0.532 0.000 1.004 398 L CA -0.453 53.955 54.840 -0.720 0.000 0.823 398 L CB 1.800 43.274 42.059 -0.975 0.000 1.236 398 L HN 0.505 nan 8.230 nan 0.000 0.415 399 S N 0.795 116.253 115.700 -0.404 0.000 2.671 399 S HA 0.132 4.600 4.470 -0.003 0.000 0.272 399 S C 1.013 175.563 174.600 -0.084 0.000 1.174 399 S CA -0.289 57.807 58.200 -0.173 0.000 1.004 399 S CB 1.474 64.649 63.200 -0.042 0.000 1.077 399 S HN 0.791 nan 8.310 nan 0.000 0.553 400 E N -0.216 119.866 120.200 -0.197 0.000 2.033 400 E HA -0.016 4.333 4.350 -0.003 0.000 0.189 400 E C 0.049 176.335 176.600 -0.524 0.000 0.979 400 E CA 0.847 57.014 56.400 -0.389 0.000 0.802 400 E CB 0.089 29.420 29.700 -0.614 0.000 0.763 400 E HN 0.592 nan 8.360 nan 0.000 0.449 401 Q N -0.913 118.585 119.800 -0.502 0.000 2.496 401 Q HA 0.440 4.779 4.340 -0.003 0.000 0.286 401 Q C -1.259 174.600 176.000 -0.235 0.000 1.103 401 Q CA -0.981 54.483 55.803 -0.566 0.000 0.813 401 Q CB 1.984 30.254 28.738 -0.781 0.000 1.444 401 Q HN 0.106 nan 8.270 nan 0.000 0.443 402 F N -2.012 117.620 119.950 -0.530 0.000 2.569 402 F HA 0.403 4.928 4.527 -0.003 0.000 0.312 402 F C -0.540 174.975 175.800 -0.476 0.000 1.109 402 F CA -1.356 56.361 58.000 -0.472 0.000 0.919 402 F CB 1.023 39.664 39.000 -0.598 0.000 1.211 402 F HN 0.362 nan 8.300 nan 0.000 0.446 403 D N 3.934 124.170 120.400 -0.274 0.000 2.493 403 D HA -0.052 4.587 4.640 -0.003 0.000 0.240 403 D C 1.051 177.110 176.300 -0.401 0.000 1.142 403 D CA 0.243 54.056 54.000 -0.311 0.000 0.872 403 D CB 1.207 41.897 40.800 -0.183 0.000 1.173 403 D HN 0.957 nan 8.370 nan 0.000 0.467 404 K N 1.714 121.837 120.400 -0.463 0.000 2.280 404 K HA -0.106 4.213 4.320 -0.003 0.000 0.202 404 K C 1.144 177.611 176.600 -0.223 0.000 1.047 404 K CA 0.990 56.973 56.287 -0.507 0.000 0.942 404 K CB 0.129 32.360 32.500 -0.448 0.000 0.739 404 K HN 0.137 nan 8.250 nan 0.000 0.457 405 S N 1.300 116.907 115.700 -0.154 0.000 2.591 405 S HA -0.038 4.430 4.470 -0.003 0.000 0.235 405 S C 0.988 175.551 174.600 -0.061 0.000 1.074 405 S CA 0.598 58.753 58.200 -0.076 0.000 0.925 405 S CB 0.215 63.383 63.200 -0.052 0.000 0.818 405 S HN 0.631 nan 8.310 nan 0.000 0.535 406 D N 0.037 120.394 120.400 -0.073 0.000 2.407 406 D HA 0.295 4.933 4.640 -0.003 0.000 0.208 406 D C 1.259 177.542 176.300 -0.028 0.000 1.083 406 D CA 0.772 54.752 54.000 -0.033 0.000 0.844 406 D CB -0.334 40.450 40.800 -0.025 0.000 0.967 406 D HN 0.401 nan 8.370 nan 0.000 0.506 407 G N 0.278 109.008 108.800 -0.117 0.000 2.184 407 G HA2 -0.261 3.698 3.960 -0.003 0.000 0.264 407 G HA3 -0.261 3.698 3.960 -0.003 0.000 0.264 407 G C -0.303 174.590 174.900 -0.012 0.000 0.975 407 G CA 0.204 45.177 45.100 -0.212 0.000 0.642 407 G HN 0.400 nan 8.290 nan 0.000 0.536 408 D N 1.178 121.572 120.400 -0.010 0.000 2.399 408 D HA 0.332 4.970 4.640 -0.003 0.000 0.241 408 D C 0.880 177.183 176.300 0.005 0.000 1.133 408 D CA 0.152 54.157 54.000 0.008 0.000 0.890 408 D CB 0.576 41.359 40.800 -0.028 0.000 1.201 408 D HN 0.509 nan 8.370 nan 0.000 0.432 409 E N 0.418 120.637 120.200 0.031 0.000 2.373 409 E HA 0.375 4.723 4.350 -0.003 0.000 0.267 409 E C -0.018 176.517 176.600 -0.108 0.000 1.032 409 E CA -0.164 56.252 56.400 0.028 0.000 0.889 409 E CB 0.874 30.599 29.700 0.041 0.000 0.984 409 E HN 0.337 nan 8.360 nan 0.000 0.425 410 L N -0.562 120.540 121.223 -0.202 0.000 2.654 410 L HA 0.688 5.026 4.340 -0.003 0.000 0.257 410 L C 0.020 176.577 176.870 -0.522 0.000 1.093 410 L CA -0.877 53.748 54.840 -0.358 0.000 0.903 410 L CB 1.659 43.498 42.059 -0.367 0.000 1.520 410 L HN 0.668 nan 8.230 nan 0.000 0.402 411 S N -0.206 115.029 115.700 -0.775 0.000 3.387 411 S HA -0.154 4.314 4.470 -0.003 0.000 0.633 411 S C 0.306 174.554 174.600 -0.586 0.000 2.641 411 S CA 0.511 58.155 58.200 -0.926 0.000 2.931 411 S CB -1.539 61.041 63.200 -1.033 0.000 0.327 411 S HN 2.418 nan 8.310 nan 0.000 1.716 412 A N 1.970 124.424 122.820 -0.610 0.000 2.548 412 A HA 0.418 4.736 4.320 -0.003 0.000 0.247 412 A C 0.669 178.080 177.584 -0.289 0.000 1.067 412 A CA 0.932 52.670 52.037 -0.499 0.000 0.757 412 A CB -0.449 18.104 19.000 -0.745 0.000 0.996 412 A HN 0.889 nan 8.150 nan 0.000 0.504 413 R N 2.292 122.663 120.500 -0.215 0.000 2.560 413 R HA 0.334 4.673 4.340 -0.003 0.000 0.270 413 R C -0.904 175.336 176.300 -0.100 0.000 1.074 413 R CA -0.309 55.688 56.100 -0.172 0.000 1.140 413 R CB 0.382 30.566 30.300 -0.194 0.000 1.073 413 R HN 0.659 nan 8.270 nan 0.000 0.527 414 D N 0.572 120.930 120.400 -0.071 0.000 2.740 414 D HA -0.184 4.454 4.640 -0.003 0.000 0.231 414 D C -0.647 175.810 176.300 0.263 0.000 1.194 414 D CA 0.790 54.880 54.000 0.150 0.000 0.673 414 D CB -0.562 40.182 40.800 -0.093 0.000 0.995 414 D HN 0.370 nan 8.370 nan 0.000 0.411 415 L N 0.866 122.137 121.223 0.080 0.000 2.433 415 L HA 0.046 4.384 4.340 -0.003 0.000 0.275 415 L C 1.761 178.777 176.870 0.243 0.000 1.128 415 L CA 0.392 55.324 54.840 0.153 0.000 0.875 415 L CB 0.847 42.950 42.059 0.074 0.000 1.171 415 L HN 0.034 nan 8.230 nan 0.000 0.463 416 T N 3.815 118.604 114.554 0.390 0.000 2.699 416 T HA -0.257 4.091 4.350 -0.003 0.000 0.268 416 T C 1.199 176.153 174.700 0.424 0.000 1.036 416 T CA 1.942 64.307 62.100 0.441 0.000 1.147 416 T CB -0.447 68.613 68.868 0.320 0.000 0.862 416 T HN 0.788 nan 8.240 nan 0.000 0.446 417 W N 2.086 123.483 121.300 0.162 0.000 2.363 417 W HA -0.042 4.617 4.660 -0.003 0.000 0.296 417 W C 2.503 179.100 176.519 0.130 0.000 1.212 417 W CA 0.534 57.965 57.345 0.145 0.000 1.260 417 W CB -1.059 28.487 29.460 0.143 0.000 1.131 417 W HN 0.194 nan 8.180 nan 0.000 0.530 418 S N -0.275 115.533 115.700 0.181 0.000 2.370 418 S HA -0.247 4.221 4.470 -0.003 0.000 0.226 418 S C 1.650 176.219 174.600 -0.051 0.000 1.033 418 S CA 1.895 60.071 58.200 -0.039 0.000 1.011 418 S CB -0.796 62.240 63.200 -0.273 0.000 0.852 418 S HN 0.289 nan 8.310 nan 0.000 0.457 419 Y N 1.499 121.894 120.300 0.158 0.000 2.200 419 Y HA -0.026 4.523 4.550 -0.003 0.000 0.290 419 Y C 2.647 178.633 175.900 0.143 0.000 1.137 419 Y CA 0.546 58.716 58.100 0.116 0.000 1.163 419 Y CB -0.988 37.529 38.460 0.095 0.000 0.988 419 Y HN 0.259 nan 8.280 nan 0.000 0.518 420 A N 0.120 123.146 122.820 0.343 0.000 1.933 420 A HA -0.097 4.222 4.320 -0.003 0.000 0.218 420 A C 2.438 180.201 177.584 0.299 0.000 1.175 420 A CA 1.697 53.906 52.037 0.286 0.000 0.628 420 A CB -1.189 17.973 19.000 0.270 0.000 0.814 420 A HN 0.398 nan 8.150 nan 0.000 0.444 421 A N -0.397 122.628 122.820 0.342 0.000 1.972 421 A HA -0.020 4.299 4.320 -0.003 0.000 0.219 421 A C 2.103 179.819 177.584 0.221 0.000 1.169 421 A CA 1.535 53.748 52.037 0.294 0.000 0.635 421 A CB -0.453 18.691 19.000 0.239 0.000 0.810 421 A HN 0.523 nan 8.150 nan 0.000 0.446 422 L N -0.070 121.271 121.223 0.197 0.000 2.005 422 L HA -0.083 4.255 4.340 -0.003 0.000 0.207 422 L C 2.286 179.241 176.870 0.140 0.000 1.072 422 L CA 1.853 56.795 54.840 0.170 0.000 0.744 422 L CB -1.205 40.940 42.059 0.144 0.000 0.895 422 L HN 0.440 nan 8.230 nan 0.000 0.433 423 L N 0.026 121.331 121.223 0.137 0.000 2.012 423 L HA -0.261 4.078 4.340 -0.003 0.000 0.210 423 L C 2.686 179.617 176.870 0.102 0.000 1.073 423 L CA 2.139 57.038 54.840 0.099 0.000 0.748 423 L CB -1.013 41.103 42.059 0.095 0.000 0.891 423 L HN 0.460 nan 8.230 nan 0.000 0.431 424 T N -2.813 111.825 114.554 0.140 0.000 2.812 424 T HA -0.080 4.268 4.350 -0.003 0.000 0.264 424 T C 1.947 176.720 174.700 0.123 0.000 1.042 424 T CA 0.868 63.049 62.100 0.135 0.000 1.140 424 T CB -0.325 68.649 68.868 0.177 0.000 0.870 424 T HN 0.297 nan 8.240 nan 0.000 0.445 425 A N 2.241 125.153 122.820 0.153 0.000 1.902 425 A HA -0.146 4.173 4.320 -0.003 0.000 0.217 425 A C 2.463 180.107 177.584 0.101 0.000 1.181 425 A CA 1.798 53.953 52.037 0.196 0.000 0.623 425 A CB -1.216 17.938 19.000 0.255 0.000 0.818 425 A HN 0.702 nan 8.150 nan 0.000 0.443 426 N N -0.260 118.481 118.700 0.069 0.000 2.084 426 N HA -0.191 4.548 4.740 -0.003 0.000 0.190 426 N C 1.689 177.171 175.510 -0.048 0.000 1.030 426 N CA 1.646 54.692 53.050 -0.007 0.000 0.849 426 N CB -0.294 38.201 38.487 0.013 0.000 1.012 426 N HN 0.689 nan 8.380 nan 0.000 0.423 427 N N 0.045 118.744 118.700 -0.002 0.000 2.043 427 N HA -0.119 4.619 4.740 -0.003 0.000 0.193 427 N C 1.751 177.247 175.510 -0.024 0.000 1.037 427 N CA 0.903 53.952 53.050 -0.001 0.000 0.851 427 N CB 0.074 38.580 38.487 0.032 0.000 1.027 427 N HN 0.198 nan 8.380 nan 0.000 0.422 428 R N 1.099 121.589 120.500 -0.018 0.000 2.081 428 R HA -0.092 4.246 4.340 -0.003 0.000 0.235 428 R C 2.104 178.332 176.300 -0.120 0.000 1.131 428 R CA 0.869 56.958 56.100 -0.019 0.000 0.960 428 R CB -0.781 29.548 30.300 0.049 0.000 0.856 428 R HN 0.360 nan 8.270 nan 0.000 0.436 429 R N 0.964 121.224 120.500 -0.400 0.000 2.127 429 R HA -0.082 4.257 4.340 -0.003 0.000 0.238 429 R C 0.836 176.972 176.300 -0.273 0.000 1.134 429 R CA 1.521 57.159 56.100 -0.770 0.000 0.975 429 R CB -0.018 29.740 30.300 -0.904 0.000 0.865 429 R HN 0.140 nan 8.270 nan 0.000 0.447 430 N N -0.144 118.474 118.700 -0.137 0.000 2.322 430 N HA 0.037 4.775 4.740 -0.003 0.000 0.194 430 N C -0.496 175.032 175.510 0.030 0.000 1.126 430 N CA 0.605 53.633 53.050 -0.037 0.000 0.845 430 N CB 0.933 39.404 38.487 -0.027 0.000 0.976 430 N HN 0.048 nan 8.380 nan 0.000 0.475 431 S N -0.848 114.887 115.700 0.059 0.000 3.672 431 S HA -0.118 4.351 4.470 -0.003 0.000 0.319 431 S C -0.136 174.517 174.600 0.090 0.000 1.151 431 S CA 0.221 58.520 58.200 0.165 0.000 0.911 431 S CB -1.639 61.721 63.200 0.267 0.000 0.939 431 S HN 0.104 nan 8.310 nan 0.000 0.524 432 V N 2.389 122.318 119.914 0.026 0.000 2.318 432 V HA 0.568 4.687 4.120 -0.003 0.000 0.271 432 V C 0.524 176.611 176.094 -0.011 0.000 1.030 432 V CA -0.210 62.099 62.300 0.016 0.000 0.844 432 V CB 1.187 33.023 31.823 0.021 0.000 1.015 432 V HN 0.450 nan 8.190 nan 0.000 0.460 433 V N 4.252 124.135 119.914 -0.051 0.000 2.881 433 V HA 0.810 4.928 4.120 -0.003 0.000 0.316 433 V C -2.254 173.834 176.094 -0.011 0.000 1.070 433 V CA -2.115 60.152 62.300 -0.055 0.000 0.976 433 V CB 1.829 33.483 31.823 -0.282 0.000 1.038 433 V HN 0.658 nan 8.190 nan 0.000 0.446 434 P HA 0.498 nan 4.420 nan 0.000 0.278 434 P C -2.892 174.406 177.300 -0.003 0.000 1.258 434 P CA -1.823 61.300 63.100 0.037 0.000 0.811 434 P CB 0.054 31.806 31.700 0.087 0.000 1.063 435 P HA 0.035 nan 4.420 nan 0.000 0.268 435 P C 0.322 177.635 177.300 0.021 0.000 1.208 435 P CA 0.110 63.230 63.100 0.034 0.000 0.777 435 P CB 0.200 31.944 31.700 0.074 0.000 0.875 436 S N 2.369 118.056 115.700 -0.021 0.000 2.584 436 S HA 0.140 4.608 4.470 -0.003 0.000 0.270 436 S C 0.498 175.118 174.600 0.033 0.000 1.346 436 S CA -0.520 57.629 58.200 -0.085 0.000 1.018 436 S CB -0.093 63.023 63.200 -0.139 0.000 0.899 436 S HN 0.694 nan 8.310 nan 0.000 0.542 437 W N 2.073 123.336 121.300 -0.061 0.000 2.862 437 W HA 0.427 5.085 4.660 -0.002 0.000 0.376 437 W C 0.545 177.039 176.519 -0.041 0.000 1.028 437 W CA -0.239 57.081 57.345 -0.042 0.000 1.757 437 W CB -0.925 28.508 29.460 -0.046 0.000 1.128 437 W HN 1.133 nan 8.180 nan 0.000 0.566 438 G N 1.982 110.632 108.800 -0.250 0.000 2.130 438 G HA2 -0.353 3.606 3.960 -0.003 0.000 0.216 438 G HA3 -0.353 3.606 3.960 -0.003 0.000 0.216 438 G C 0.862 175.487 174.900 -0.458 0.000 0.999 438 G CA 0.337 45.299 45.100 -0.230 0.000 0.686 438 G HN 0.290 nan 8.290 nan 0.000 0.515 439 E N 0.975 120.553 120.200 -1.036 0.000 2.160 439 E HA -0.180 4.168 4.350 -0.003 0.000 0.195 439 E C 2.528 178.889 176.600 -0.399 0.000 0.991 439 E CA 2.178 57.964 56.400 -1.024 0.000 0.810 439 E CB -0.424 28.541 29.700 -1.225 0.000 0.742 439 E HN 0.798 nan 8.360 nan 0.000 0.466 440 T N -1.656 112.711 114.554 -0.311 0.000 3.051 440 T HA -0.066 4.282 4.350 -0.003 0.000 0.269 440 T C 1.647 176.285 174.700 -0.103 0.000 1.127 440 T CA 1.287 63.288 62.100 -0.165 0.000 1.107 440 T CB -0.274 68.514 68.868 -0.133 0.000 0.898 440 T HN 0.116 nan 8.240 nan 0.000 0.517 441 S N -0.343 115.297 115.700 -0.100 0.000 2.663 441 S HA 0.719 5.187 4.470 -0.003 0.000 0.243 441 S C 0.708 175.308 174.600 0.001 0.000 1.009 441 S CA -0.235 57.940 58.200 -0.041 0.000 0.988 441 S CB 0.390 63.568 63.200 -0.038 0.000 0.896 441 S HN 0.691 nan 8.310 nan 0.000 0.502 442 A N 1.093 123.922 122.820 0.015 0.000 2.897 442 A HA 0.611 4.930 4.320 -0.003 0.000 0.230 442 A C 0.704 178.411 177.584 0.205 0.000 0.896 442 A CA 0.151 52.274 52.037 0.143 0.000 1.114 442 A CB -0.270 18.857 19.000 0.212 0.000 1.230 442 A HN 0.744 nan 8.150 nan 0.000 0.481 443 S N -1.341 114.411 115.700 0.087 0.000 2.701 443 S HA 0.277 4.746 4.470 -0.003 0.000 0.242 443 S C 0.494 175.113 174.600 0.032 0.000 1.025 443 S CA 0.411 58.650 58.200 0.065 0.000 1.016 443 S CB -0.046 63.167 63.200 0.021 0.000 0.977 443 S HN 0.652 nan 8.310 nan 0.000 0.546 444 S N 1.966 117.688 115.700 0.038 0.000 2.474 444 S HA 0.521 4.990 4.470 -0.003 0.000 0.276 444 S C -0.136 174.481 174.600 0.028 0.000 1.227 444 S CA -0.376 57.839 58.200 0.025 0.000 1.050 444 S CB 0.444 63.660 63.200 0.026 0.000 0.939 444 S HN 0.316 nan 8.310 nan 0.000 0.490 445 V N 8.057 127.984 119.914 0.021 0.000 2.498 445 V HA 0.350 4.468 4.120 -0.003 0.000 0.279 445 V C -1.837 174.279 176.094 0.037 0.000 1.048 445 V CA -1.586 60.732 62.300 0.029 0.000 0.967 445 V CB 0.621 32.463 31.823 0.032 0.000 0.988 445 V HN 0.773 nan 8.190 nan 0.000 0.473 446 P HA 0.209 nan 4.420 nan 0.000 0.272 446 P C 1.138 178.468 177.300 0.050 0.000 1.223 446 P CA -0.099 63.029 63.100 0.047 0.000 0.784 446 P CB 0.771 32.504 31.700 0.055 0.000 0.923 447 G N 1.357 110.184 108.800 0.045 0.000 2.450 447 G HA2 -0.088 3.870 3.960 -0.003 0.000 0.220 447 G HA3 -0.088 3.870 3.960 -0.003 0.000 0.220 447 G C 0.031 174.961 174.900 0.050 0.000 1.130 447 G CA 0.788 45.914 45.100 0.043 0.000 0.760 447 G HN 0.574 nan 8.290 nan 0.000 0.557 448 T N -0.480 114.108 114.554 0.056 0.000 2.921 448 T HA 0.402 4.750 4.350 -0.003 0.000 0.297 448 T C -0.721 174.025 174.700 0.077 0.000 1.013 448 T CA -0.699 61.438 62.100 0.061 0.000 0.990 448 T CB 1.830 70.728 68.868 0.050 0.000 1.023 448 T HN 0.089 nan 8.240 nan 0.000 0.447 449 c N 2.890 121.545 118.600 0.093 0.000 2.452 449 c HA 0.870 5.439 4.570 -0.003 0.000 0.379 449 c C 0.937 175.093 174.090 0.109 0.000 1.275 449 c CA -0.635 55.768 56.329 0.123 0.000 2.056 449 c CB -0.518 42.087 42.510 0.159 0.000 2.506 449 c HN 1.022 nan 8.230 nan 0.000 0.560 450 A N 2.033 124.933 122.820 0.134 0.000 2.342 450 A HA 0.790 5.108 4.320 -0.003 0.000 0.323 450 A C -0.171 177.496 177.584 0.138 0.000 1.125 450 A CA -0.378 51.724 52.037 0.109 0.000 0.785 450 A CB 0.759 19.823 19.000 0.106 0.000 1.221 450 A HN 1.256 nan 8.150 nan 0.000 0.463 451 A N 1.985 124.826 122.820 0.035 0.000 2.376 451 A HA 0.627 4.946 4.320 -0.003 0.000 0.298 451 A C 0.319 177.856 177.584 -0.078 0.000 1.271 451 A CA 0.425 52.416 52.037 -0.076 0.000 0.926 451 A CB -0.228 18.688 19.000 -0.139 0.000 1.141 451 A HN 1.190 nan 8.150 nan 0.000 0.539 452 T N 0.607 115.115 114.554 -0.077 0.000 2.645 452 T HA 0.791 5.140 4.350 -0.003 0.000 0.300 452 T C -0.489 174.145 174.700 -0.110 0.000 1.210 452 T CA 0.314 62.397 62.100 -0.028 0.000 1.034 452 T CB 1.400 70.345 68.868 0.127 0.000 1.537 452 T HN 1.840 nan 8.240 nan 0.000 0.492 453 S N -0.282 115.419 115.700 0.002 0.000 2.636 453 S HA 0.845 5.314 4.470 -0.003 0.000 0.268 453 S C -1.792 172.853 174.600 0.075 0.000 1.159 453 S CA -0.160 58.047 58.200 0.012 0.000 0.815 453 S CB 1.070 64.151 63.200 -0.198 0.000 1.130 453 S HN 1.615 nan 8.310 nan 0.000 0.471 454 A N 0.676 123.542 122.820 0.077 0.000 2.488 454 A HA 0.822 5.141 4.320 -0.003 0.000 0.298 454 A C -0.515 177.049 177.584 -0.033 0.000 1.044 454 A CA -0.346 51.740 52.037 0.082 0.000 0.693 454 A CB 1.668 20.793 19.000 0.208 0.000 1.272 454 A HN 1.427 nan 8.150 nan 0.000 0.402 455 S N 1.401 117.043 115.700 -0.097 0.000 2.457 455 S HA 0.620 5.088 4.470 -0.003 0.000 0.289 455 S C 0.848 175.202 174.600 -0.409 0.000 1.163 455 S CA 0.259 58.319 58.200 -0.233 0.000 1.078 455 S CB 0.685 63.786 63.200 -0.166 0.000 0.987 455 S HN 1.389 nan 8.310 nan 0.000 0.482 456 G N 2.179 110.484 108.800 -0.826 0.000 3.411 456 G HA2 0.520 4.478 3.960 -0.003 0.000 0.186 456 G HA3 0.520 4.478 3.960 -0.003 0.000 0.186 456 G C -0.214 174.015 174.900 -1.119 0.000 1.766 456 G CA -0.040 44.061 45.100 -1.665 0.000 0.971 456 G HN 0.782 nan 8.290 nan 0.000 0.590 457 T N -1.538 112.291 114.554 -1.208 0.000 2.932 457 T HA 0.572 4.921 4.350 -0.003 0.000 0.318 457 T C -2.205 172.055 174.700 -0.733 0.000 1.265 457 T CA -0.512 61.164 62.100 -0.707 0.000 1.036 457 T CB 1.170 69.791 68.868 -0.412 0.000 1.209 457 T HN 0.251 nan 8.240 nan 0.000 0.484 458 Y N 1.360 121.573 120.300 -0.145 0.000 2.409 458 Y HA 0.746 5.295 4.550 -0.001 0.000 0.343 458 Y C 0.351 176.209 175.900 -0.071 0.000 0.973 458 Y CA -0.740 57.305 58.100 -0.091 0.000 1.064 458 Y CB 2.474 40.901 38.460 -0.055 0.000 1.207 458 Y HN 0.574 nan 8.280 nan 0.000 0.452 459 S N 1.474 117.224 115.700 0.083 0.000 2.562 459 S HA 0.348 4.816 4.470 -0.003 0.000 0.274 459 S C -1.132 173.476 174.600 0.013 0.000 1.160 459 S CA -0.661 57.556 58.200 0.029 0.000 0.933 459 S CB 1.115 64.309 63.200 -0.010 0.000 1.100 459 S HN 0.631 nan 8.310 nan 0.000 0.468 460 S N 3.186 118.889 115.700 0.006 0.000 2.533 460 S HA 0.462 4.931 4.470 -0.003 0.000 0.282 460 S C -0.232 174.352 174.600 -0.026 0.000 1.304 460 S CA -0.270 57.923 58.200 -0.012 0.000 1.063 460 S CB -0.033 63.158 63.200 -0.016 0.000 0.881 460 S HN 0.587 nan 8.310 nan 0.000 0.493 461 V N 5.402 125.294 119.914 -0.037 0.000 2.472 461 V HA 0.449 4.568 4.120 -0.003 0.000 0.290 461 V C 0.276 176.338 176.094 -0.053 0.000 1.037 461 V CA -0.642 61.630 62.300 -0.047 0.000 0.908 461 V CB 1.770 33.561 31.823 -0.054 0.000 0.985 461 V HN 0.920 nan 8.190 nan 0.000 0.454 462 T N 3.846 118.366 114.554 -0.056 0.000 2.786 462 T HA 0.424 4.773 4.350 -0.003 0.000 0.283 462 T C -0.295 174.355 174.700 -0.083 0.000 0.992 462 T CA -0.335 61.730 62.100 -0.059 0.000 0.954 462 T CB 1.450 70.291 68.868 -0.045 0.000 0.934 462 T HN 0.346 nan 8.240 nan 0.000 0.440 463 V N 4.773 124.632 119.914 -0.092 0.000 2.247 463 V HA 0.137 4.255 4.120 -0.003 0.000 0.262 463 V C 1.514 177.541 176.094 -0.111 0.000 1.096 463 V CA -0.207 62.001 62.300 -0.153 0.000 0.895 463 V CB -0.007 31.710 31.823 -0.176 0.000 1.141 463 V HN 1.001 nan 8.190 nan 0.000 0.478 464 T N 2.166 116.658 114.554 -0.103 0.000 2.595 464 T HA -0.105 4.243 4.350 -0.003 0.000 0.264 464 T C 0.917 175.593 174.700 -0.039 0.000 1.058 464 T CA 1.962 64.027 62.100 -0.058 0.000 1.166 464 T CB 0.042 68.880 68.868 -0.050 0.000 0.863 464 T HN 0.742 nan 8.240 nan 0.000 0.415 465 S N -1.415 114.242 115.700 -0.072 0.000 2.579 465 S HA 0.515 4.984 4.470 -0.003 0.000 0.272 465 S C -2.361 172.183 174.600 -0.092 0.000 1.141 465 S CA -1.123 57.071 58.200 -0.009 0.000 0.843 465 S CB 0.835 64.052 63.200 0.028 0.000 1.122 465 S HN 0.408 nan 8.310 nan 0.000 0.468 466 W N 2.607 123.932 121.300 0.042 0.000 2.433 466 W HA 0.550 5.208 4.660 -0.003 0.000 0.315 466 W C -1.964 174.584 176.519 0.047 0.000 1.087 466 W CA -1.425 55.950 57.345 0.050 0.000 1.205 466 W CB 1.108 30.594 29.460 0.044 0.000 1.288 466 W HN 0.610 nan 8.180 nan 0.000 0.504 467 P HA 0.009 nan 4.420 nan 0.000 0.271 467 P C -0.279 177.141 177.300 0.200 0.000 1.233 467 P CA -0.277 62.953 63.100 0.217 0.000 0.789 467 P CB 1.027 32.859 31.700 0.221 0.000 0.951 468 S N 1.350 117.147 115.700 0.161 0.000 2.701 468 S HA 0.218 4.687 4.470 -0.003 0.000 0.317 468 S C 0.172 174.839 174.600 0.112 0.000 1.149 468 S CA -0.692 57.584 58.200 0.128 0.000 1.052 468 S CB -1.669 61.604 63.200 0.122 0.000 1.257 468 S HN 0.241 nan 8.310 nan 0.000 0.532 469 I N 4.824 125.393 120.570 -0.002 0.000 2.395 469 I HA 0.317 4.486 4.170 -0.003 0.000 0.289 469 I C -0.292 175.863 176.117 0.063 0.000 1.023 469 I CA -0.627 60.557 61.300 -0.192 0.000 1.350 469 I CB 1.544 39.353 38.000 -0.318 0.000 1.409 469 I HN 0.263 nan 8.210 nan 0.000 0.507 470 V N 6.031 126.085 119.914 0.232 0.000 2.495 470 V HA 0.774 4.892 4.120 -0.003 0.000 0.298 470 V C 0.179 176.512 176.094 0.397 0.000 1.031 470 V CA -0.370 62.088 62.300 0.265 0.000 0.871 470 V CB 1.528 33.491 31.823 0.234 0.000 0.988 470 V HN 0.896 nan 8.190 nan 0.000 0.432 471 A N 0.000 123.014 122.820 0.323 0.000 2.254 471 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 471 A CA 0.000 52.258 52.037 0.369 0.000 0.836 471 A CB 0.000 19.208 19.000 0.346 0.000 0.831 471 A HN 0.000 nan 8.150 nan 0.000 0.486