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 3l70_1_A DATA FIRST_RESID 1 DATA SEQUENCE AATYAQTLQN IPETNVTTLD NGLRVASEES SQPTCTVGVW IGAGSRYENE DATA SEQUENCE KNNGAGYFVE HLAFKGTKKR PCAAFEKEVE SMGAHFNGYT SREQTAFYIK DATA SEQUENCE ALSKDMPKVV ELLADVVQNC ALEESQIEKE RGVILQELKE MDNDMTNVTF DATA SEQUENCE DYLHATAFQG TALARTVEGT TENIKHLTRA DLASYIDTHF KAPRMVLAAA DATA SEQUENCE GGISHKELVD AARQHFSGVS FTYKEDAVPI LPRCRFTGSE IRARDDALPV DATA SEQUENCE AHVALAVEGP GWADPDNVVL HVANAIIGRY DRTFGGGKHL SSRLAALAVE DATA SEQUENCE HKLCHSFQTF NTSYSDTGLF GFHFVADPLS IDDMMFCAQG EWMRLCTSTT DATA SEQUENCE ESEVKRAKNH LRSAMVAQLD GTTPVCETIG SHLLNYGRRI SLEEWDSRIS DATA SEQUENCE AVDARMVRDV CSKYIYDKCP ALAAVGPIEQ LLDYNRIRSG MYWI 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 0.000 177.595 177.584 0.018 0.000 1.274 1 A CA 0.000 52.046 52.037 0.015 0.000 0.836 1 A CB 0.000 19.008 19.000 0.014 0.000 0.831 2 A N 0.983 123.815 122.820 0.019 0.000 2.388 2 A HA 0.592 4.912 4.320 -0.000 0.000 0.257 2 A C 0.695 178.300 177.584 0.036 0.000 1.095 2 A CA 0.696 52.745 52.037 0.020 0.000 0.791 2 A CB -0.499 18.510 19.000 0.015 0.000 1.029 2 A HN 1.784 nan 8.150 nan 0.000 0.489 3 T N -0.418 114.158 114.554 0.038 0.000 2.816 3 T HA 0.240 4.590 4.350 -0.000 0.000 0.282 3 T C 0.863 175.620 174.700 0.094 0.000 0.993 3 T CA 0.250 62.390 62.100 0.068 0.000 0.994 3 T CB 0.265 69.168 68.868 0.059 0.000 1.025 3 T HN 0.654 nan 8.240 nan 0.000 0.529 4 Y N 1.350 121.654 120.300 0.008 0.000 2.224 4 Y HA 0.024 4.573 4.550 -0.000 0.000 0.289 4 Y C 2.564 178.471 175.900 0.011 0.000 1.146 4 Y CA 1.531 59.636 58.100 0.010 0.000 1.182 4 Y CB -1.125 37.343 38.460 0.012 0.000 0.983 4 Y HN 0.798 nan 8.280 nan 0.000 0.524 5 A N 0.478 123.247 122.820 -0.084 0.000 1.883 5 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 5 A C 2.121 179.610 177.584 -0.158 0.000 1.186 5 A CA 2.205 54.140 52.037 -0.170 0.000 0.624 5 A CB -0.779 18.198 19.000 -0.038 0.000 0.822 5 A HN 0.688 nan 8.150 nan 0.000 0.444 6 Q N -0.705 119.046 119.800 -0.081 0.000 2.020 6 Q HA -0.116 4.224 4.340 -0.000 0.000 0.198 6 Q C 2.297 178.253 176.000 -0.074 0.000 0.974 6 Q CA 1.954 57.720 55.803 -0.063 0.000 0.829 6 Q CB -0.653 28.068 28.738 -0.027 0.000 0.894 6 Q HN 0.858 nan 8.270 nan 0.000 0.433 7 T N 0.214 114.731 114.554 -0.062 0.000 2.822 7 T HA -0.170 4.180 4.350 -0.000 0.000 0.270 7 T C 1.838 176.485 174.700 -0.087 0.000 1.064 7 T CA 0.979 63.050 62.100 -0.048 0.000 1.131 7 T CB -0.342 68.525 68.868 -0.001 0.000 0.858 7 T HN 0.134 nan 8.240 nan 0.000 0.483 8 L N 0.343 121.461 121.223 -0.174 0.000 2.072 8 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 8 L C 3.197 179.994 176.870 -0.122 0.000 1.079 8 L CA 1.491 56.217 54.840 -0.191 0.000 0.752 8 L CB -0.498 41.361 42.059 -0.335 0.000 0.906 8 L HN 0.354 nan 8.230 nan 0.000 0.436 9 Q N -0.219 119.515 119.800 -0.110 0.000 2.079 9 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 9 Q C 1.391 177.354 176.000 -0.062 0.000 0.974 9 Q CA 1.381 57.136 55.803 -0.079 0.000 0.840 9 Q CB -0.134 28.563 28.738 -0.068 0.000 0.898 9 Q HN 0.399 nan 8.270 nan 0.000 0.430 10 N N 0.312 118.979 118.700 -0.054 0.000 2.627 10 N HA 0.041 4.781 4.740 -0.000 0.000 0.196 10 N C -0.543 174.943 175.510 -0.039 0.000 1.268 10 N CA 0.373 53.398 53.050 -0.040 0.000 0.904 10 N CB 0.034 38.502 38.487 -0.031 0.000 1.016 10 N HN 0.202 nan 8.380 nan 0.000 0.448 11 I N 2.323 122.864 120.570 -0.047 0.000 2.396 11 I HA 0.132 4.302 4.170 -0.000 0.000 0.289 11 I C -1.667 174.422 176.117 -0.047 0.000 1.056 11 I CA -1.937 59.337 61.300 -0.044 0.000 1.365 11 I CB 0.604 38.575 38.000 -0.048 0.000 1.407 11 I HN -0.059 nan 8.210 nan 0.000 0.509 12 P HA -0.046 nan 4.420 nan 0.000 0.261 12 P C -0.283 176.982 177.300 -0.058 0.000 1.173 12 P CA 0.208 63.281 63.100 -0.044 0.000 0.760 12 P CB 0.668 32.347 31.700 -0.035 0.000 0.783 13 E N 1.254 121.415 120.200 -0.065 0.000 2.408 13 E HA 0.118 4.468 4.350 -0.000 0.000 0.259 13 E C -0.271 176.272 176.600 -0.096 0.000 1.110 13 E CA -0.170 56.181 56.400 -0.081 0.000 0.929 13 E CB 0.470 30.121 29.700 -0.083 0.000 0.971 13 E HN 0.349 nan 8.360 nan 0.000 0.438 14 T N 3.775 118.265 114.554 -0.108 0.000 2.733 14 T HA 0.243 4.593 4.350 -0.000 0.000 0.294 14 T C -0.486 174.119 174.700 -0.157 0.000 0.956 14 T CA -0.767 61.262 62.100 -0.119 0.000 0.987 14 T CB 0.261 69.061 68.868 -0.114 0.000 0.920 14 T HN 0.322 nan 8.240 nan 0.000 0.470 15 N N 2.677 121.234 118.700 -0.238 0.000 2.472 15 N HA 0.449 5.189 4.740 -0.000 0.000 0.277 15 N C -0.788 174.511 175.510 -0.352 0.000 1.081 15 N CA -0.313 52.466 53.050 -0.452 0.000 0.973 15 N CB 1.779 39.663 38.487 -1.005 0.000 1.105 15 N HN 0.272 nan 8.380 nan 0.000 0.470 16 V N 0.898 120.689 119.914 -0.205 0.000 2.638 16 V HA 0.560 4.680 4.120 -0.000 0.000 0.306 16 V C -0.129 176.012 176.094 0.078 0.000 1.052 16 V CA -0.816 61.485 62.300 0.001 0.000 0.885 16 V CB 1.847 33.665 31.823 -0.008 0.000 0.999 16 V HN 0.846 nan 8.190 nan 0.000 0.424 17 T N -0.188 114.476 114.554 0.183 0.000 2.971 17 T HA 0.573 4.923 4.350 -0.000 0.000 0.304 17 T C -0.450 174.304 174.700 0.091 0.000 1.038 17 T CA -0.586 61.603 62.100 0.148 0.000 1.007 17 T CB 1.671 70.670 68.868 0.218 0.000 1.055 17 T HN 0.515 nan 8.240 nan 0.000 0.451 18 T N 4.328 118.917 114.554 0.058 0.000 2.882 18 T HA 0.553 4.903 4.350 -0.000 0.000 0.287 18 T C 0.711 175.431 174.700 0.033 0.000 0.992 18 T CA -0.793 61.329 62.100 0.038 0.000 1.076 18 T CB 0.711 69.596 68.868 0.028 0.000 0.961 18 T HN 0.531 nan 8.240 nan 0.000 0.490 19 L N 1.275 122.513 121.223 0.025 0.000 2.855 19 L HA 0.350 4.690 4.340 -0.000 0.000 0.204 19 L C 1.250 178.128 176.870 0.013 0.000 1.206 19 L CA -0.701 54.154 54.840 0.024 0.000 0.942 19 L CB 0.253 42.333 42.059 0.035 0.000 1.832 19 L HN 0.623 nan 8.230 nan 0.000 0.522 20 D N -0.518 119.887 120.400 0.007 0.000 2.346 20 D HA -0.060 4.580 4.640 -0.000 0.000 0.206 20 D C 1.173 177.464 176.300 -0.016 0.000 1.001 20 D CA 0.518 54.515 54.000 -0.005 0.000 0.871 20 D CB -0.015 40.778 40.800 -0.012 0.000 0.943 20 D HN 0.486 nan 8.370 nan 0.000 0.518 21 N N 0.125 118.817 118.700 -0.013 0.000 2.398 21 N HA 0.054 4.794 4.740 -0.000 0.000 0.188 21 N C 1.474 176.973 175.510 -0.019 0.000 1.122 21 N CA 0.841 53.877 53.050 -0.024 0.000 0.866 21 N CB 0.478 38.957 38.487 -0.014 0.000 0.970 21 N HN 0.166 nan 8.380 nan 0.000 0.462 22 G N 0.040 108.834 108.800 -0.011 0.000 2.232 22 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.226 22 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.226 22 G C -0.197 174.693 174.900 -0.016 0.000 0.996 22 G CA 0.059 45.154 45.100 -0.008 0.000 0.626 22 G HN 0.440 nan 8.290 nan 0.000 0.509 23 L N 1.295 122.497 121.223 -0.034 0.000 2.456 23 L HA 0.623 4.962 4.340 -0.000 0.000 0.272 23 L C 0.611 177.464 176.870 -0.028 0.000 1.189 23 L CA -0.352 54.448 54.840 -0.068 0.000 0.846 23 L CB 0.394 42.365 42.059 -0.146 0.000 1.111 23 L HN 0.275 nan 8.230 nan 0.000 0.475 24 R N 3.320 123.806 120.500 -0.023 0.000 2.514 24 R HA 0.600 4.940 4.340 -0.000 0.000 0.301 24 R C -1.358 174.962 176.300 0.033 0.000 0.962 24 R CA -0.723 55.386 56.100 0.016 0.000 0.882 24 R CB 2.121 32.434 30.300 0.021 0.000 1.143 24 R HN 0.429 nan 8.270 nan 0.000 0.452 25 V N 2.360 122.318 119.914 0.074 0.000 2.448 25 V HA 0.756 4.876 4.120 -0.000 0.000 0.295 25 V C -0.475 175.730 176.094 0.185 0.000 1.025 25 V CA -0.573 61.792 62.300 0.109 0.000 0.859 25 V CB 1.564 33.435 31.823 0.081 0.000 0.988 25 V HN 0.943 nan 8.190 nan 0.000 0.431 26 A N 4.015 126.924 122.820 0.148 0.000 2.498 26 A HA 1.048 5.368 4.320 -0.000 0.000 0.298 26 A C -0.428 177.219 177.584 0.105 0.000 1.075 26 A CA -0.188 51.920 52.037 0.119 0.000 0.714 26 A CB 2.274 21.286 19.000 0.019 0.000 1.299 26 A HN 1.349 nan 8.150 nan 0.000 0.407 27 S N -0.117 115.625 115.700 0.069 0.000 2.578 27 S HA 0.614 5.084 4.470 -0.000 0.000 0.272 27 S C -1.280 173.314 174.600 -0.009 0.000 1.145 27 S CA -0.571 57.659 58.200 0.050 0.000 0.835 27 S CB 1.426 64.707 63.200 0.135 0.000 1.104 27 S HN 1.095 nan 8.310 nan 0.000 0.458 28 E N 0.575 120.764 120.200 -0.018 0.000 2.220 28 E HA 0.335 4.685 4.350 -0.000 0.000 0.256 28 E C -0.967 175.625 176.600 -0.012 0.000 0.881 28 E CA -0.314 56.065 56.400 -0.035 0.000 0.766 28 E CB 1.274 30.939 29.700 -0.057 0.000 1.187 28 E HN 0.671 nan 8.360 nan 0.000 0.419 29 E N 3.397 123.594 120.200 -0.005 0.000 2.259 29 E HA 0.190 4.540 4.350 -0.000 0.000 0.281 29 E C -0.734 175.863 176.600 -0.004 0.000 1.037 29 E CA -0.191 56.212 56.400 0.005 0.000 0.854 29 E CB 0.862 30.571 29.700 0.015 0.000 1.051 29 E HN 0.551 nan 8.360 nan 0.000 0.409 30 S N 2.288 117.987 115.700 -0.001 0.000 2.751 30 S HA 0.279 4.749 4.470 -0.000 0.000 0.310 30 S C 0.318 174.917 174.600 -0.000 0.000 1.128 30 S CA -0.762 57.436 58.200 -0.003 0.000 0.931 30 S CB 1.623 64.820 63.200 -0.003 0.000 1.177 30 S HN 0.318 nan 8.310 nan 0.000 0.530 31 S N 0.050 115.749 115.700 -0.001 0.000 2.685 31 S HA 0.234 4.704 4.470 -0.000 0.000 0.240 31 S C -0.062 174.537 174.600 -0.001 0.000 0.967 31 S CA -0.415 57.784 58.200 -0.001 0.000 1.009 31 S CB -0.857 62.342 63.200 -0.002 0.000 0.776 31 S HN 0.609 nan 8.310 nan 0.000 0.467 32 Q N 2.038 121.838 119.800 0.000 0.000 2.256 32 Q HA 0.247 4.587 4.340 -0.000 0.000 0.254 32 Q C -1.600 174.398 176.000 -0.002 0.000 0.916 32 Q CA -2.235 53.568 55.803 -0.000 0.000 0.932 32 Q CB 1.354 30.093 28.738 0.002 0.000 1.207 32 Q HN 0.226 nan 8.270 nan 0.000 0.426 33 P HA -0.140 nan 4.420 nan 0.000 0.222 33 P C 0.478 177.769 177.300 -0.015 0.000 1.147 33 P CA 1.135 64.229 63.100 -0.010 0.000 0.790 33 P CB 0.400 32.093 31.700 -0.012 0.000 0.780 34 T N -0.702 113.845 114.554 -0.012 0.000 2.918 34 T HA 0.543 4.893 4.350 -0.000 0.000 0.286 34 T C -0.312 174.386 174.700 -0.003 0.000 1.026 34 T CA -0.566 61.524 62.100 -0.017 0.000 1.031 34 T CB 0.935 69.791 68.868 -0.020 0.000 1.046 34 T HN 0.266 nan 8.240 nan 0.000 0.479 35 C N 1.170 120.470 119.300 0.001 0.000 3.340 35 C HA 0.945 5.405 4.460 -0.000 0.000 0.333 35 C C -0.745 174.273 174.990 0.047 0.000 1.464 35 C CA -0.629 58.402 59.018 0.022 0.000 1.337 35 C CB 1.119 28.871 27.740 0.020 0.000 1.740 35 C HN 0.824 nan 8.230 nan 0.000 0.450 36 T N 1.358 115.959 114.554 0.077 0.000 2.991 36 T HA 0.675 5.025 4.350 -0.000 0.000 0.303 36 T C -0.676 174.126 174.700 0.169 0.000 1.015 36 T CA -0.303 61.880 62.100 0.139 0.000 1.007 36 T CB 1.276 70.241 68.868 0.162 0.000 1.034 36 T HN 1.912 nan 8.240 nan 0.000 0.446 37 V N 0.321 120.353 119.914 0.198 0.000 2.841 37 V HA 1.111 5.230 4.120 -0.000 0.000 0.310 37 V C -0.267 176.003 176.094 0.294 0.000 1.090 37 V CA -0.447 61.992 62.300 0.231 0.000 0.930 37 V CB 1.635 33.543 31.823 0.141 0.000 1.014 37 V HN 1.193 nan 8.190 nan 0.000 0.425 38 G N 0.907 109.947 108.800 0.399 0.000 2.506 38 G HA2 0.588 4.548 3.960 -0.000 0.000 0.292 38 G HA3 0.588 4.548 3.960 -0.000 0.000 0.292 38 G C -1.803 173.282 174.900 0.308 0.000 1.425 38 G CA -0.080 45.190 45.100 0.285 0.000 0.788 38 G HN 1.687 nan 8.290 nan 0.000 0.490 39 V N 0.954 120.923 119.914 0.091 0.000 2.398 39 V HA 0.717 4.837 4.120 -0.000 0.000 0.286 39 V C -0.967 175.067 176.094 -0.100 0.000 1.026 39 V CA -0.971 61.394 62.300 0.108 0.000 0.868 39 V CB 1.142 32.989 31.823 0.040 0.000 0.982 39 V HN 0.632 nan 8.190 nan 0.000 0.443 40 W N 7.697 128.991 121.300 -0.010 0.000 2.294 40 W HA 0.530 5.190 4.660 -0.000 0.000 0.314 40 W C -0.524 175.963 176.519 -0.054 0.000 1.044 40 W CA -0.545 56.775 57.345 -0.041 0.000 1.284 40 W CB 1.659 31.111 29.460 -0.013 0.000 1.231 40 W HN 0.471 nan 8.180 nan 0.000 0.419 41 I N 2.412 122.986 120.570 0.007 0.000 2.359 41 I HA 0.285 4.455 4.170 -0.000 0.000 0.294 41 I C 1.162 177.305 176.117 0.044 0.000 0.987 41 I CA -0.594 60.714 61.300 0.014 0.000 1.225 41 I CB 1.384 39.365 38.000 -0.031 0.000 1.366 41 I HN 0.435 nan 8.210 nan 0.000 0.466 42 G N 5.201 114.015 108.800 0.024 0.000 3.101 42 G HA2 0.540 4.500 3.960 -0.000 0.000 0.272 42 G HA3 0.540 4.500 3.960 -0.000 0.000 0.272 42 G C -0.059 174.645 174.900 -0.327 0.000 0.801 42 G CA -0.016 45.084 45.100 -0.001 0.000 1.978 42 G HN 0.756 nan 8.290 nan 0.000 0.591 43 A N 0.169 122.818 122.820 -0.285 0.000 2.587 43 A HA 1.051 5.371 4.320 -0.000 0.000 0.293 43 A C 0.045 177.601 177.584 -0.046 0.000 1.087 43 A CA -0.151 51.526 52.037 -0.600 0.000 0.692 43 A CB 1.767 20.583 19.000 -0.307 0.000 1.291 43 A HN 1.811 nan 8.150 nan 0.000 0.407 44 G N -1.089 107.788 108.800 0.127 0.000 2.320 44 G HA2 0.540 4.500 3.960 -0.000 0.000 0.297 44 G HA3 0.540 4.500 3.960 -0.000 0.000 0.297 44 G C 0.697 175.761 174.900 0.274 0.000 1.344 44 G CA 0.737 45.996 45.100 0.265 0.000 0.851 44 G HN 1.948 nan 8.290 nan 0.000 0.567 45 S N -0.417 115.378 115.700 0.158 0.000 2.423 45 S HA -0.229 4.241 4.470 -0.000 0.000 0.238 45 S C 2.037 176.674 174.600 0.062 0.000 1.028 45 S CA 1.899 60.153 58.200 0.091 0.000 1.000 45 S CB -0.267 62.945 63.200 0.020 0.000 0.797 45 S HN 0.766 nan 8.310 nan 0.000 0.487 46 R N -0.203 120.315 120.500 0.030 0.000 2.148 46 R HA -0.047 4.293 4.340 -0.000 0.000 0.227 46 R C 1.337 177.547 176.300 -0.149 0.000 1.103 46 R CA 1.296 57.322 56.100 -0.123 0.000 0.983 46 R CB -0.287 29.847 30.300 -0.277 0.000 0.874 46 R HN 0.593 nan 8.270 nan 0.000 0.451 47 Y N 0.667 120.938 120.300 -0.048 0.000 2.544 47 Y HA 0.117 4.667 4.550 -0.000 0.000 0.286 47 Y C 0.445 176.345 175.900 -0.001 0.000 1.141 47 Y CA 0.153 58.213 58.100 -0.066 0.000 1.299 47 Y CB 0.143 38.435 38.460 -0.280 0.000 1.030 47 Y HN 0.073 nan 8.280 nan 0.000 0.543 48 E N 1.161 121.465 120.200 0.174 0.000 2.369 48 E HA 0.077 4.427 4.350 -0.000 0.000 0.255 48 E C 0.070 176.737 176.600 0.111 0.000 1.172 48 E CA -0.435 56.072 56.400 0.178 0.000 0.932 48 E CB 0.421 30.209 29.700 0.146 0.000 1.040 48 E HN 0.241 nan 8.360 nan 0.000 0.454 49 N N 0.052 118.815 118.700 0.105 0.000 2.906 49 N HA 0.002 4.742 4.740 -0.000 0.000 0.327 49 N C 0.550 176.094 175.510 0.057 0.000 1.344 49 N CA -0.504 52.588 53.050 0.070 0.000 0.823 49 N CB 1.049 39.578 38.487 0.070 0.000 1.351 49 N HN 0.514 nan 8.380 nan 0.000 0.604 50 E N 0.115 120.342 120.200 0.044 0.000 2.204 50 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 50 E C 0.743 177.369 176.600 0.043 0.000 0.990 50 E CA 1.192 57.615 56.400 0.039 0.000 0.821 50 E CB 0.151 29.870 29.700 0.032 0.000 0.750 50 E HN 0.535 nan 8.360 nan 0.000 0.477 51 K N 0.145 120.573 120.400 0.047 0.000 2.284 51 K HA -0.013 4.307 4.320 -0.000 0.000 0.198 51 K C 1.396 178.028 176.600 0.053 0.000 1.048 51 K CA 0.821 57.136 56.287 0.047 0.000 0.987 51 K CB 0.201 32.723 32.500 0.037 0.000 0.800 51 K HN 0.069 nan 8.250 nan 0.000 0.486 52 N N 0.210 118.949 118.700 0.065 0.000 2.203 52 N HA -0.078 4.662 4.740 -0.000 0.000 0.207 52 N C -0.435 175.111 175.510 0.059 0.000 1.130 52 N CA -0.166 52.924 53.050 0.067 0.000 0.861 52 N CB -0.448 38.103 38.487 0.108 0.000 1.005 52 N HN 0.057 nan 8.380 nan 0.000 0.507 53 N N 0.601 119.336 118.700 0.058 0.000 2.301 53 N HA 0.088 4.828 4.740 -0.000 0.000 0.267 53 N C 0.718 176.250 175.510 0.036 0.000 1.304 53 N CA 1.309 54.386 53.050 0.044 0.000 0.851 53 N CB -0.017 38.491 38.487 0.036 0.000 1.070 53 N HN 0.481 nan 8.380 nan 0.000 0.483 54 G N 1.964 110.778 108.800 0.023 0.000 2.195 54 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.224 54 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.224 54 G C 0.830 175.771 174.900 0.069 0.000 0.990 54 G CA 0.432 45.568 45.100 0.059 0.000 0.639 54 G HN 0.845 nan 8.290 nan 0.000 0.514 55 A N 0.723 123.500 122.820 -0.071 0.000 1.858 55 A HA 0.319 4.639 4.320 -0.000 0.000 0.216 55 A C 2.863 180.143 177.584 -0.506 0.000 1.190 55 A CA 2.498 54.393 52.037 -0.237 0.000 0.617 55 A CB -1.217 17.601 19.000 -0.303 0.000 0.827 55 A HN 1.656 nan 8.150 nan 0.000 0.443 56 G N -2.151 106.094 108.800 -0.925 0.000 2.485 56 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 56 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 56 G C 1.507 176.342 174.900 -0.108 0.000 1.115 56 G CA 1.430 46.049 45.100 -0.801 0.000 0.751 56 G HN 0.591 nan 8.290 nan 0.000 0.567 57 Y N -0.346 119.882 120.300 -0.121 0.000 2.314 57 Y HA 0.262 4.812 4.550 -0.000 0.000 0.294 57 Y C 2.192 178.125 175.900 0.056 0.000 1.119 57 Y CA 0.261 58.359 58.100 -0.003 0.000 1.179 57 Y CB -0.232 38.211 38.460 -0.027 0.000 1.025 57 Y HN 0.187 nan 8.280 nan 0.000 0.541 58 F N -1.054 118.815 119.950 -0.134 0.000 2.186 58 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 58 F C 2.109 177.822 175.800 -0.145 0.000 1.090 58 F CA 1.027 58.906 58.000 -0.202 0.000 1.307 58 F CB -0.037 38.869 39.000 -0.157 0.000 1.019 58 F HN -0.166 nan 8.300 nan 0.000 0.489 59 V N -0.070 119.908 119.914 0.105 0.000 2.759 59 V HA -0.246 3.874 4.120 -0.000 0.000 0.256 59 V C 2.163 178.307 176.094 0.084 0.000 1.080 59 V CA 1.887 64.228 62.300 0.069 0.000 1.101 59 V CB -0.391 31.450 31.823 0.030 0.000 0.698 59 V HN 0.365 nan 8.190 nan 0.000 0.477 60 E N -0.796 119.437 120.200 0.055 0.000 2.152 60 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 60 E C 2.038 178.534 176.600 -0.174 0.000 0.983 60 E CA 0.850 57.241 56.400 -0.015 0.000 0.818 60 E CB -0.062 29.580 29.700 -0.098 0.000 0.758 60 E HN 0.715 nan 8.360 nan 0.000 0.467 61 H N -0.396 118.515 119.070 -0.265 0.000 2.495 61 H HA 0.002 4.558 4.556 -0.000 0.000 0.287 61 H C 1.968 177.211 175.328 -0.142 0.000 1.033 61 H CA 0.759 56.667 56.048 -0.233 0.000 1.307 61 H CB 0.495 30.079 29.762 -0.295 0.000 1.401 61 H HN 0.219 nan 8.280 nan 0.000 0.555 62 L N -0.572 120.645 121.223 -0.010 0.000 2.408 62 L HA 0.149 4.489 4.340 -0.000 0.000 0.215 62 L C 2.785 179.535 176.870 -0.199 0.000 1.081 62 L CA 0.372 55.184 54.840 -0.047 0.000 0.840 62 L CB -0.155 41.911 42.059 0.011 0.000 1.002 62 L HN 0.109 nan 8.230 nan 0.000 0.468 63 A N 0.773 123.386 122.820 -0.345 0.000 2.023 63 A HA -0.255 4.065 4.320 -0.000 0.000 0.223 63 A C 1.920 179.088 177.584 -0.693 0.000 1.180 63 A CA 2.009 53.652 52.037 -0.656 0.000 0.659 63 A CB -0.794 17.611 19.000 -0.992 0.000 0.817 63 A HN 0.483 nan 8.150 nan 0.000 0.466 64 F N -1.435 118.324 119.950 -0.318 0.000 2.731 64 F HA 0.126 4.653 4.527 -0.000 0.000 0.298 64 F C 1.080 176.784 175.800 -0.159 0.000 1.106 64 F CA -0.182 57.647 58.000 -0.285 0.000 1.329 64 F CB 0.450 39.321 39.000 -0.214 0.000 1.100 64 F HN -0.094 nan 8.300 nan 0.000 0.592 65 K N 1.644 122.046 120.400 0.002 0.000 2.836 65 K HA 0.283 4.603 4.320 -0.000 0.000 0.236 65 K C 0.576 177.155 176.600 -0.035 0.000 1.015 65 K CA 0.257 56.559 56.287 0.024 0.000 1.194 65 K CB -0.823 31.689 32.500 0.019 0.000 1.002 65 K HN 0.303 nan 8.250 nan 0.000 0.479 66 G N 0.773 109.471 108.800 -0.171 0.000 2.719 66 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 66 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 66 G C -0.107 174.646 174.900 -0.244 0.000 1.201 66 G CA -0.376 44.601 45.100 -0.205 0.000 0.768 66 G HN 0.287 nan 8.290 nan 0.000 0.629 67 T N -1.402 113.020 114.554 -0.221 0.000 2.889 67 T HA 0.698 5.048 4.350 -0.000 0.000 0.278 67 T C 1.413 176.078 174.700 -0.059 0.000 0.995 67 T CA 0.152 62.163 62.100 -0.148 0.000 0.966 67 T CB 1.803 70.586 68.868 -0.141 0.000 1.237 67 T HN 0.627 nan 8.240 nan 0.000 0.591 68 K N -0.160 120.218 120.400 -0.038 0.000 2.103 68 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 68 K C 2.308 178.910 176.600 0.003 0.000 1.052 68 K CA 0.713 56.992 56.287 -0.014 0.000 0.945 68 K CB -0.102 32.392 32.500 -0.010 0.000 0.722 68 K HN 0.535 nan 8.250 nan 0.000 0.443 69 K N 1.434 121.839 120.400 0.009 0.000 2.211 69 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 69 K C 0.085 176.709 176.600 0.040 0.000 1.050 69 K CA 0.867 57.169 56.287 0.025 0.000 0.945 69 K CB 0.284 32.803 32.500 0.031 0.000 0.732 69 K HN 0.077 nan 8.250 nan 0.000 0.451 70 R N 0.425 120.956 120.500 0.053 0.000 2.695 70 R HA 0.293 4.633 4.340 -0.000 0.000 0.288 70 R C -3.032 173.324 176.300 0.093 0.000 1.344 70 R CA -1.658 54.493 56.100 0.085 0.000 1.005 70 R CB 1.162 31.541 30.300 0.133 0.000 1.233 70 R HN -0.145 nan 8.270 nan 0.000 0.442 71 P HA -0.144 nan 4.420 nan 0.000 0.272 71 P C 0.835 178.197 177.300 0.104 0.000 1.239 71 P CA -0.290 62.844 63.100 0.058 0.000 0.807 71 P CB 0.708 32.434 31.700 0.042 0.000 0.951 72 C N 1.431 120.781 119.300 0.083 0.000 2.323 72 C HA -0.290 4.170 4.460 -0.000 0.000 0.276 72 C C 3.024 178.099 174.990 0.143 0.000 1.151 72 C CA 3.138 62.225 59.018 0.116 0.000 1.789 72 C CB -1.919 25.865 27.740 0.073 0.000 1.921 72 C HN 0.717 nan 8.230 nan 0.000 0.417 73 A N 0.177 123.050 122.820 0.089 0.000 1.915 73 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 73 A C 2.425 180.050 177.584 0.068 0.000 1.198 73 A CA 3.657 55.734 52.037 0.067 0.000 0.647 73 A CB -1.434 17.592 19.000 0.043 0.000 0.825 73 A HN 1.156 nan 8.150 nan 0.000 0.456 74 A N -1.572 121.297 122.820 0.082 0.000 1.858 74 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 74 A C 2.085 179.721 177.584 0.086 0.000 1.190 74 A CA 1.740 53.820 52.037 0.072 0.000 0.617 74 A CB -0.798 18.249 19.000 0.078 0.000 0.827 74 A HN 0.772 nan 8.150 nan 0.000 0.443 75 F N 1.073 121.036 119.950 0.022 0.000 2.069 75 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 75 F C 2.272 178.094 175.800 0.037 0.000 1.113 75 F CA 2.347 60.369 58.000 0.036 0.000 1.214 75 F CB -0.404 38.631 39.000 0.058 0.000 0.978 75 F HN 0.391 nan 8.300 nan 0.000 0.474 76 E N 0.062 120.263 120.200 0.003 0.000 2.051 76 E HA -0.288 4.062 4.350 -0.000 0.000 0.192 76 E C 2.239 178.755 176.600 -0.139 0.000 0.991 76 E CA 1.514 57.859 56.400 -0.092 0.000 0.799 76 E CB -0.364 29.356 29.700 0.034 0.000 0.748 76 E HN 0.397 nan 8.360 nan 0.000 0.449 77 K N 1.251 121.607 120.400 -0.074 0.000 2.103 77 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 77 K C 2.127 178.664 176.600 -0.104 0.000 1.048 77 K CA 1.680 57.926 56.287 -0.067 0.000 0.930 77 K CB 0.007 32.488 32.500 -0.032 0.000 0.716 77 K HN 0.061 nan 8.250 nan 0.000 0.444 78 E N -0.108 120.005 120.200 -0.144 0.000 2.106 78 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 78 E C 1.746 178.218 176.600 -0.213 0.000 0.984 78 E CA 1.175 57.479 56.400 -0.160 0.000 0.806 78 E CB 0.206 29.812 29.700 -0.157 0.000 0.750 78 E HN 0.165 nan 8.360 nan 0.000 0.458 79 V N 1.109 120.831 119.914 -0.320 0.000 2.346 79 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 79 V C 2.114 178.102 176.094 -0.175 0.000 1.037 79 V CA 1.914 64.034 62.300 -0.300 0.000 1.029 79 V CB -0.539 31.040 31.823 -0.407 0.000 0.663 79 V HN 0.255 nan 8.190 nan 0.000 0.454 80 E N 1.192 121.307 120.200 -0.142 0.000 2.033 80 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 80 E C 2.292 178.851 176.600 -0.068 0.000 1.011 80 E CA 1.959 58.312 56.400 -0.077 0.000 0.815 80 E CB -0.339 29.324 29.700 -0.061 0.000 0.755 80 E HN 0.718 nan 8.360 nan 0.000 0.451 81 S N 0.938 116.593 115.700 -0.075 0.000 2.493 81 S HA -0.172 4.298 4.470 -0.000 0.000 0.243 81 S C 1.861 176.421 174.600 -0.066 0.000 0.991 81 S CA 1.337 59.500 58.200 -0.062 0.000 0.957 81 S CB -0.503 62.662 63.200 -0.058 0.000 0.756 81 S HN 0.360 nan 8.310 nan 0.000 0.521 82 M N -1.215 118.334 119.600 -0.085 0.000 2.404 82 M HA 0.564 5.044 4.480 -0.000 0.000 0.271 82 M C 1.199 177.444 176.300 -0.092 0.000 1.128 82 M CA 0.227 55.475 55.300 -0.087 0.000 0.982 82 M CB -0.030 32.509 32.600 -0.102 0.000 1.445 82 M HN 0.249 nan 8.290 nan 0.000 0.495 83 G N 1.507 110.258 108.800 -0.082 0.000 2.168 83 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.257 83 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.257 83 G C 0.160 174.964 174.900 -0.160 0.000 0.997 83 G CA 0.297 45.341 45.100 -0.093 0.000 0.708 83 G HN 0.959 nan 8.290 nan 0.000 0.520 84 A N -0.213 122.526 122.820 -0.134 0.000 2.316 84 A HA 0.711 5.031 4.320 -0.000 0.000 0.284 84 A C 0.046 177.613 177.584 -0.028 0.000 1.115 84 A CA -0.338 51.606 52.037 -0.154 0.000 0.812 84 A CB 0.468 19.369 19.000 -0.166 0.000 1.064 84 A HN 0.584 nan 8.150 nan 0.000 0.489 85 H N 0.825 119.855 119.070 -0.068 0.000 2.504 85 H HA 0.387 4.943 4.556 -0.000 0.000 0.322 85 H C -1.497 173.808 175.328 -0.038 0.000 1.055 85 H CA -0.421 55.600 56.048 -0.044 0.000 1.231 85 H CB 1.296 31.060 29.762 0.003 0.000 1.417 85 H HN 0.542 nan 8.280 nan 0.000 0.472 86 F N 3.390 123.244 119.950 -0.160 0.000 2.411 86 F HA 0.328 4.855 4.527 -0.000 0.000 0.352 86 F C -0.337 175.144 175.800 -0.532 0.000 1.123 86 F CA -0.917 56.867 58.000 -0.361 0.000 1.044 86 F CB 0.879 39.566 39.000 -0.521 0.000 1.135 86 F HN 0.598 nan 8.300 nan 0.000 0.461 87 N N 2.071 120.747 118.700 -0.040 0.000 2.853 87 N HA 0.815 5.554 4.740 -0.000 0.000 0.258 87 N C -0.952 174.344 175.510 -0.357 0.000 1.444 87 N CA -0.124 52.758 53.050 -0.279 0.000 0.837 87 N CB 2.292 40.600 38.487 -0.298 0.000 1.489 87 N HN 0.836 nan 8.380 nan 0.000 0.529 88 G N -0.869 107.822 108.800 -0.182 0.000 2.322 88 G HA2 0.444 4.404 3.960 -0.000 0.000 0.295 88 G HA3 0.444 4.404 3.960 -0.000 0.000 0.295 88 G C -2.249 172.595 174.900 -0.093 0.000 1.369 88 G CA -0.243 44.704 45.100 -0.254 0.000 0.821 88 G HN 0.811 nan 8.290 nan 0.000 0.536 89 Y N -2.621 117.526 120.300 -0.254 0.000 2.853 89 Y HA 0.879 5.429 4.550 -0.000 0.000 0.326 89 Y C -0.612 175.173 175.900 -0.192 0.000 1.384 89 Y CA -0.910 57.108 58.100 -0.136 0.000 1.077 89 Y CB 1.521 39.988 38.460 0.011 0.000 1.395 89 Y HN 1.116 nan 8.280 nan 0.000 0.451 90 T N 1.066 115.801 114.554 0.302 0.000 3.172 90 T HA 0.611 4.961 4.350 -0.000 0.000 0.320 90 T C -0.996 173.883 174.700 0.297 0.000 1.085 90 T CA 0.139 62.372 62.100 0.220 0.000 1.052 90 T CB 0.662 69.615 68.868 0.141 0.000 1.107 90 T HN 1.428 nan 8.240 nan 0.000 0.458 91 S N 4.415 120.291 115.700 0.294 0.000 2.786 91 S HA 0.584 5.054 4.470 -0.000 0.000 0.302 91 S C 1.257 175.956 174.600 0.165 0.000 1.080 91 S CA -0.994 57.330 58.200 0.206 0.000 0.925 91 S CB 1.106 64.454 63.200 0.246 0.000 1.325 91 S HN 0.732 nan 8.310 nan 0.000 0.576 92 R N 0.439 121.017 120.500 0.131 0.000 2.092 92 R HA 0.135 4.475 4.340 -0.000 0.000 0.231 92 R C 1.237 177.606 176.300 0.115 0.000 1.119 92 R CA 1.453 57.578 56.100 0.043 0.000 0.970 92 R CB -0.190 30.032 30.300 -0.131 0.000 0.864 92 R HN 0.699 nan 8.270 nan 0.000 0.440 93 E N -0.626 119.711 120.200 0.228 0.000 2.630 93 E HA 0.080 4.430 4.350 -0.000 0.000 0.218 93 E C -0.483 176.342 176.600 0.376 0.000 0.977 93 E CA -0.096 56.516 56.400 0.353 0.000 1.038 93 E CB 1.069 30.970 29.700 0.336 0.000 1.051 93 E HN 0.091 nan 8.360 nan 0.000 0.487 94 Q N 0.577 120.571 119.800 0.324 0.000 2.295 94 Q HA 0.288 4.628 4.340 -0.000 0.000 0.268 94 Q C -1.466 174.670 176.000 0.226 0.000 1.010 94 Q CA -0.346 55.629 55.803 0.287 0.000 0.856 94 Q CB 2.149 31.110 28.738 0.371 0.000 1.349 94 Q HN -0.075 nan 8.270 nan 0.000 0.412 95 T N 1.236 115.815 114.554 0.041 0.000 2.924 95 T HA 0.969 5.319 4.350 -0.000 0.000 0.291 95 T C -1.288 173.044 174.700 -0.612 0.000 1.045 95 T CA -0.373 61.588 62.100 -0.233 0.000 1.015 95 T CB 1.708 70.516 68.868 -0.099 0.000 1.103 95 T HN 0.716 nan 8.240 nan 0.000 0.496 96 A N 1.483 123.610 122.820 -1.155 0.000 2.589 96 A HA 0.795 5.115 4.320 -0.000 0.000 0.296 96 A C -2.106 174.708 177.584 -1.283 0.000 1.062 96 A CA -0.808 50.463 52.037 -1.276 0.000 0.686 96 A CB 1.085 19.081 19.000 -1.674 0.000 1.282 96 A HN 0.683 nan 8.150 nan 0.000 0.404 97 F N 1.307 120.973 119.950 -0.474 0.000 2.585 97 F HA 0.621 5.148 4.527 -0.000 0.000 0.319 97 F C -0.459 175.341 175.800 -0.000 0.000 1.165 97 F CA -0.335 57.580 58.000 -0.142 0.000 0.949 97 F CB 1.928 40.902 39.000 -0.043 0.000 1.218 97 F HN 0.701 nan 8.300 nan 0.000 0.453 98 Y N 0.977 121.430 120.300 0.254 0.000 2.615 98 Y HA 0.907 5.457 4.550 -0.000 0.000 0.341 98 Y C -1.570 174.442 175.900 0.187 0.000 1.089 98 Y CA -1.866 56.309 58.100 0.124 0.000 1.049 98 Y CB 1.574 40.025 38.460 -0.014 0.000 1.296 98 Y HN 0.401 nan 8.280 nan 0.000 0.470 99 I N 1.919 122.594 120.570 0.174 0.000 2.608 99 I HA 0.421 4.591 4.170 -0.000 0.000 0.295 99 I C -1.091 175.094 176.117 0.113 0.000 1.049 99 I CA -1.192 60.100 61.300 -0.012 0.000 1.063 99 I CB 2.546 40.342 38.000 -0.339 0.000 1.248 99 I HN 0.590 nan 8.210 nan 0.000 0.424 100 K N 4.747 125.202 120.400 0.093 0.000 2.367 100 K HA 0.810 5.130 4.320 -0.000 0.000 0.263 100 K C -0.815 175.740 176.600 -0.075 0.000 1.000 100 K CA -0.284 56.041 56.287 0.064 0.000 0.891 100 K CB 2.126 34.703 32.500 0.129 0.000 1.117 100 K HN 0.726 nan 8.250 nan 0.000 0.443 101 A N 2.969 125.747 122.820 -0.071 0.000 2.534 101 A HA 0.594 4.914 4.320 -0.000 0.000 0.300 101 A C -1.356 176.184 177.584 -0.073 0.000 1.223 101 A CA -0.866 51.108 52.037 -0.106 0.000 0.666 101 A CB 0.640 19.575 19.000 -0.109 0.000 1.316 101 A HN 0.555 nan 8.150 nan 0.000 0.468 102 L N 0.928 122.107 121.223 -0.073 0.000 2.397 102 L HA 0.254 4.594 4.340 -0.000 0.000 0.271 102 L C 1.485 178.333 176.870 -0.038 0.000 1.148 102 L CA -0.360 54.449 54.840 -0.051 0.000 0.825 102 L CB 1.094 43.122 42.059 -0.052 0.000 1.117 102 L HN 0.813 nan 8.230 nan 0.000 0.456 103 S N 0.989 116.674 115.700 -0.024 0.000 2.402 103 S HA -0.230 4.240 4.470 -0.000 0.000 0.233 103 S C 1.837 176.426 174.600 -0.019 0.000 1.030 103 S CA 1.525 59.716 58.200 -0.015 0.000 1.003 103 S CB -0.244 62.952 63.200 -0.007 0.000 0.813 103 S HN 0.676 nan 8.310 nan 0.000 0.477 104 K N 1.243 121.629 120.400 -0.024 0.000 2.089 104 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 104 K C 0.673 177.253 176.600 -0.032 0.000 1.048 104 K CA 1.845 58.117 56.287 -0.026 0.000 0.926 104 K CB -0.178 32.305 32.500 -0.028 0.000 0.714 104 K HN 0.292 nan 8.250 nan 0.000 0.448 105 D N 0.688 121.062 120.400 -0.043 0.000 2.340 105 D HA -0.092 4.548 4.640 -0.000 0.000 0.220 105 D C 1.631 177.897 176.300 -0.057 0.000 1.039 105 D CA 0.096 54.063 54.000 -0.056 0.000 0.866 105 D CB 0.099 40.855 40.800 -0.073 0.000 0.913 105 D HN 0.318 nan 8.370 nan 0.000 0.523 106 M N 2.063 121.640 119.600 -0.039 0.000 2.147 106 M HA -0.175 4.305 4.480 -0.000 0.000 0.253 106 M C -1.150 175.126 176.300 -0.040 0.000 1.075 106 M CA 2.120 57.403 55.300 -0.029 0.000 1.085 106 M CB -1.328 31.268 32.600 -0.008 0.000 1.305 106 M HN -0.039 nan 8.290 nan 0.000 0.409 107 P HA -0.169 nan 4.420 nan 0.000 0.216 107 P C 1.261 178.501 177.300 -0.101 0.000 1.153 107 P CA 1.799 64.873 63.100 -0.043 0.000 0.848 107 P CB -0.385 31.308 31.700 -0.012 0.000 0.787 108 K N 0.471 120.813 120.400 -0.097 0.000 2.147 108 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 108 K C 1.934 178.432 176.600 -0.170 0.000 1.049 108 K CA 1.162 57.370 56.287 -0.132 0.000 0.936 108 K CB -1.049 31.392 32.500 -0.099 0.000 0.722 108 K HN -0.132 nan 8.250 nan 0.000 0.446 109 V N 0.234 120.061 119.914 -0.144 0.000 2.233 109 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 109 V C 2.253 178.247 176.094 -0.167 0.000 1.050 109 V CA 1.917 64.121 62.300 -0.159 0.000 1.010 109 V CB -0.524 31.227 31.823 -0.120 0.000 0.637 109 V HN 0.197 nan 8.190 nan 0.000 0.444 110 V N 0.060 119.888 119.914 -0.142 0.000 2.370 110 V HA -0.357 3.763 4.120 -0.000 0.000 0.252 110 V C 2.477 178.356 176.094 -0.358 0.000 1.068 110 V CA 2.473 64.680 62.300 -0.156 0.000 1.061 110 V CB -0.700 31.062 31.823 -0.101 0.000 0.656 110 V HN 0.699 nan 8.190 nan 0.000 0.455 111 E N -0.199 119.689 120.200 -0.521 0.000 2.072 111 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 111 E C 2.254 178.655 176.600 -0.332 0.000 0.985 111 E CA 1.056 56.992 56.400 -0.773 0.000 0.801 111 E CB -0.053 29.167 29.700 -0.799 0.000 0.750 111 E HN 0.593 nan 8.360 nan 0.000 0.452 112 L N 0.667 121.776 121.223 -0.190 0.000 2.017 112 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 112 L C 2.638 179.534 176.870 0.044 0.000 1.073 112 L CA 0.875 55.709 54.840 -0.010 0.000 0.745 112 L CB -0.470 41.564 42.059 -0.042 0.000 0.894 112 L HN 0.232 nan 8.230 nan 0.000 0.432 113 L N -0.206 121.005 121.223 -0.021 0.000 1.944 113 L HA -0.284 4.055 4.340 -0.000 0.000 0.218 113 L C 2.896 179.826 176.870 0.100 0.000 1.075 113 L CA 1.565 56.460 54.840 0.091 0.000 0.767 113 L CB -0.894 41.244 42.059 0.133 0.000 0.890 113 L HN 0.274 nan 8.230 nan 0.000 0.434 114 A N -0.434 122.384 122.820 -0.002 0.000 1.997 114 A HA -0.340 3.980 4.320 -0.000 0.000 0.221 114 A C 1.929 179.523 177.584 0.017 0.000 1.172 114 A CA 2.435 54.462 52.037 -0.016 0.000 0.645 114 A CB -0.781 17.813 19.000 -0.676 0.000 0.813 114 A HN 0.551 nan 8.150 nan 0.000 0.454 115 D N -0.974 119.411 120.400 -0.025 0.000 2.183 115 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 115 D C 1.805 178.081 176.300 -0.041 0.000 0.969 115 D CA 1.243 55.236 54.000 -0.011 0.000 0.842 115 D CB -0.007 40.799 40.800 0.010 0.000 0.957 115 D HN 0.181 nan 8.370 nan 0.000 0.484 116 V N 0.426 120.313 119.914 -0.045 0.000 2.270 116 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 116 V C 2.707 178.662 176.094 -0.231 0.000 1.043 116 V CA 1.706 63.900 62.300 -0.177 0.000 1.014 116 V CB -0.626 31.125 31.823 -0.121 0.000 0.645 116 V HN 0.314 nan 8.190 nan 0.000 0.447 117 V N -1.676 118.130 119.914 -0.181 0.000 2.548 117 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 117 V C 2.006 178.136 176.094 0.060 0.000 1.055 117 V CA 1.811 64.012 62.300 -0.166 0.000 1.065 117 V CB -0.744 30.962 31.823 -0.195 0.000 0.681 117 V HN 0.554 nan 8.190 nan 0.000 0.462 118 Q N 0.396 120.238 119.800 0.070 0.000 2.297 118 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 118 Q C 0.902 176.931 176.000 0.049 0.000 0.931 118 Q CA 0.939 56.799 55.803 0.094 0.000 0.885 118 Q CB 0.134 28.943 28.738 0.118 0.000 0.991 118 Q HN 0.629 nan 8.270 nan 0.000 0.498 119 N N 0.098 118.801 118.700 0.005 0.000 2.401 119 N HA 0.092 4.832 4.740 -0.000 0.000 0.264 119 N C -0.881 174.594 175.510 -0.057 0.000 1.238 119 N CA -0.078 52.962 53.050 -0.018 0.000 0.889 119 N CB 0.655 39.133 38.487 -0.015 0.000 1.196 119 N HN 0.125 nan 8.380 nan 0.000 0.511 120 C N 1.278 120.537 119.300 -0.069 0.000 2.437 120 C HA 0.111 4.571 4.460 -0.000 0.000 0.399 120 C C 2.181 177.125 174.990 -0.077 0.000 1.478 120 C CA -0.059 58.895 59.018 -0.107 0.000 1.538 120 C CB -0.691 26.997 27.740 -0.088 0.000 2.506 120 C HN 0.620 nan 8.230 nan 0.000 0.603 121 A N 5.365 128.131 122.820 -0.090 0.000 1.933 121 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 121 A C 1.514 179.070 177.584 -0.045 0.000 1.175 121 A CA 1.457 53.459 52.037 -0.058 0.000 0.628 121 A CB -0.588 18.379 19.000 -0.055 0.000 0.814 121 A HN 1.317 nan 8.150 nan 0.000 0.444 122 L N -0.881 120.312 121.223 -0.050 0.000 3.660 122 L HA -0.194 4.146 4.340 -0.000 0.000 0.440 122 L C 0.008 176.858 176.870 -0.032 0.000 1.262 122 L CA 0.114 54.928 54.840 -0.043 0.000 0.837 122 L CB -1.841 40.187 42.059 -0.052 0.000 1.689 122 L HN 0.556 nan 8.230 nan 0.000 0.890 123 E N 0.652 120.840 120.200 -0.020 0.000 2.415 123 E HA -0.022 4.328 4.350 -0.000 0.000 0.260 123 E C 1.089 177.686 176.600 -0.005 0.000 1.016 123 E CA 0.325 56.719 56.400 -0.010 0.000 0.924 123 E CB 1.029 30.728 29.700 -0.001 0.000 0.961 123 E HN 0.260 nan 8.360 nan 0.000 0.459 124 E N 2.557 122.751 120.200 -0.009 0.000 2.147 124 E HA -0.256 4.093 4.350 -0.000 0.000 0.199 124 E C 1.498 178.102 176.600 0.008 0.000 1.005 124 E CA 2.043 58.438 56.400 -0.008 0.000 0.810 124 E CB -0.094 29.600 29.700 -0.009 0.000 0.736 124 E HN 0.593 nan 8.360 nan 0.000 0.460 125 S N -0.726 114.982 115.700 0.012 0.000 2.387 125 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 125 S C 2.075 176.693 174.600 0.031 0.000 1.026 125 S CA 1.007 59.219 58.200 0.019 0.000 0.972 125 S CB -0.330 62.880 63.200 0.016 0.000 0.814 125 S HN 0.210 nan 8.310 nan 0.000 0.477 126 Q N 1.652 121.471 119.800 0.033 0.000 2.050 126 Q HA 0.073 4.413 4.340 -0.000 0.000 0.202 126 Q C 1.952 178.002 176.000 0.084 0.000 0.980 126 Q CA 1.792 57.624 55.803 0.048 0.000 0.840 126 Q CB -0.724 28.038 28.738 0.040 0.000 0.898 126 Q HN 0.697 nan 8.270 nan 0.000 0.424 127 I N 0.786 121.412 120.570 0.093 0.000 2.151 127 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 127 I C 1.922 178.159 176.117 0.199 0.000 1.080 127 I CA 1.401 62.807 61.300 0.177 0.000 1.339 127 I CB -0.405 37.616 38.000 0.035 0.000 1.039 127 I HN 0.247 nan 8.210 nan 0.000 0.409 128 E N 0.642 120.905 120.200 0.104 0.000 2.265 128 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 128 E C 1.951 178.589 176.600 0.063 0.000 0.996 128 E CA 0.933 57.384 56.400 0.085 0.000 0.832 128 E CB -0.210 29.519 29.700 0.048 0.000 0.756 128 E HN 0.507 nan 8.360 nan 0.000 0.491 129 K N 0.614 121.049 120.400 0.057 0.000 2.128 129 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 129 K C 1.576 178.179 176.600 0.005 0.000 1.050 129 K CA 0.552 56.857 56.287 0.029 0.000 0.966 129 K CB 0.332 32.850 32.500 0.031 0.000 0.759 129 K HN -0.148 nan 8.250 nan 0.000 0.454 130 E N 0.815 121.022 120.200 0.013 0.000 2.347 130 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 130 E C 1.815 178.219 176.600 -0.326 0.000 1.008 130 E CA 0.611 56.954 56.400 -0.096 0.000 0.852 130 E CB -0.013 29.655 29.700 -0.054 0.000 0.783 130 E HN 0.307 nan 8.360 nan 0.000 0.505 131 R N 0.522 120.920 120.500 -0.170 0.000 2.073 131 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 131 R C 2.318 178.520 176.300 -0.164 0.000 1.134 131 R CA 1.764 57.760 56.100 -0.174 0.000 0.952 131 R CB -0.565 29.781 30.300 0.076 0.000 0.850 131 R HN 0.179 nan 8.270 nan 0.000 0.433 132 G N -0.083 108.665 108.800 -0.087 0.000 2.408 132 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 132 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 132 G C 1.403 176.256 174.900 -0.079 0.000 1.150 132 G CA 0.764 45.824 45.100 -0.066 0.000 0.776 132 G HN 0.224 nan 8.290 nan 0.000 0.542 133 V N 1.280 121.141 119.914 -0.088 0.000 2.261 133 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 133 V C 2.801 178.844 176.094 -0.085 0.000 1.047 133 V CA 1.638 63.907 62.300 -0.052 0.000 1.015 133 V CB -0.414 31.413 31.823 0.007 0.000 0.642 133 V HN 0.392 nan 8.190 nan 0.000 0.446 134 I N -0.461 119.951 120.570 -0.263 0.000 2.208 134 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 134 I C 2.349 178.384 176.117 -0.135 0.000 1.097 134 I CA 1.601 62.723 61.300 -0.297 0.000 1.363 134 I CB -0.376 37.257 38.000 -0.611 0.000 1.051 134 I HN 0.268 nan 8.210 nan 0.000 0.413 135 L N 0.037 121.176 121.223 -0.141 0.000 2.187 135 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 135 L C 2.708 179.548 176.870 -0.050 0.000 1.100 135 L CA 1.084 55.873 54.840 -0.085 0.000 0.765 135 L CB -0.474 41.538 42.059 -0.079 0.000 0.904 135 L HN 0.356 nan 8.230 nan 0.000 0.437 136 Q N -0.057 119.719 119.800 -0.040 0.000 2.096 136 Q HA -0.151 4.189 4.340 -0.000 0.000 0.197 136 Q C 2.019 178.017 176.000 -0.003 0.000 0.964 136 Q CA 1.225 57.017 55.803 -0.017 0.000 0.838 136 Q CB -0.091 28.642 28.738 -0.009 0.000 0.906 136 Q HN 0.576 nan 8.270 nan 0.000 0.444 137 E N 0.429 120.638 120.200 0.016 0.000 2.265 137 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 137 E C 2.093 178.701 176.600 0.012 0.000 0.996 137 E CA 0.403 56.831 56.400 0.046 0.000 0.832 137 E CB -0.016 29.764 29.700 0.133 0.000 0.756 137 E HN 0.270 nan 8.360 nan 0.000 0.491 138 L N 0.830 122.046 121.223 -0.013 0.000 2.027 138 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 138 L C 2.330 179.177 176.870 -0.038 0.000 1.074 138 L CA 1.298 56.113 54.840 -0.041 0.000 0.745 138 L CB -0.285 41.744 42.059 -0.051 0.000 0.898 138 L HN 0.040 nan 8.230 nan 0.000 0.433 139 K N -0.052 120.331 120.400 -0.028 0.000 2.147 139 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 139 K C 1.938 178.524 176.600 -0.023 0.000 1.049 139 K CA 1.283 57.555 56.287 -0.025 0.000 0.936 139 K CB -0.034 32.455 32.500 -0.018 0.000 0.722 139 K HN 0.385 nan 8.250 nan 0.000 0.446 140 E N 0.663 120.853 120.200 -0.016 0.000 2.028 140 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 140 E C 1.987 178.572 176.600 -0.025 0.000 0.988 140 E CA 1.218 57.610 56.400 -0.013 0.000 0.799 140 E CB -0.068 29.632 29.700 -0.001 0.000 0.755 140 E HN 0.247 nan 8.360 nan 0.000 0.447 141 M N 0.878 120.460 119.600 -0.031 0.000 2.358 141 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 141 M C 1.505 177.761 176.300 -0.074 0.000 1.064 141 M CA 0.976 56.245 55.300 -0.052 0.000 1.093 141 M CB -0.116 32.444 32.600 -0.066 0.000 1.401 141 M HN -0.023 nan 8.290 nan 0.000 0.440 142 D N 0.597 120.956 120.400 -0.067 0.000 2.310 142 D HA -0.088 4.552 4.640 -0.000 0.000 0.212 142 D C 1.180 177.437 176.300 -0.071 0.000 0.965 142 D CA 0.850 54.804 54.000 -0.076 0.000 0.879 142 D CB 0.039 40.807 40.800 -0.054 0.000 0.921 142 D HN 0.235 nan 8.370 nan 0.000 0.510 143 N N 0.289 118.956 118.700 -0.055 0.000 2.235 143 N HA -0.025 4.715 4.740 -0.000 0.000 0.209 143 N C -0.515 174.961 175.510 -0.057 0.000 1.122 143 N CA 0.118 53.139 53.050 -0.048 0.000 0.845 143 N CB 0.573 39.043 38.487 -0.027 0.000 1.004 143 N HN 0.129 nan 8.380 nan 0.000 0.499 144 D N 1.242 121.598 120.400 -0.073 0.000 2.505 144 D HA 0.136 4.776 4.640 -0.000 0.000 0.242 144 D C 1.440 177.663 176.300 -0.130 0.000 1.136 144 D CA -0.406 53.551 54.000 -0.071 0.000 0.954 144 D CB 0.413 41.184 40.800 -0.050 0.000 1.002 144 D HN -0.247 nan 8.370 nan 0.000 0.512 145 M N 1.106 120.576 119.600 -0.216 0.000 2.128 145 M HA -0.192 4.288 4.480 -0.000 0.000 0.253 145 M C 1.759 177.836 176.300 -0.371 0.000 1.079 145 M CA 1.500 56.534 55.300 -0.442 0.000 1.082 145 M CB -1.544 30.484 32.600 -0.953 0.000 1.335 145 M HN 0.290 nan 8.290 nan 0.000 0.401 146 T N 0.807 115.273 114.554 -0.147 0.000 2.720 146 T HA -0.121 4.228 4.350 -0.000 0.000 0.268 146 T C 1.745 176.496 174.700 0.086 0.000 1.037 146 T CA 1.495 63.660 62.100 0.108 0.000 1.144 146 T CB -0.237 68.737 68.868 0.177 0.000 0.864 146 T HN 0.359 nan 8.240 nan 0.000 0.444 147 N N 0.604 119.297 118.700 -0.012 0.000 2.290 147 N HA 0.025 4.765 4.740 -0.000 0.000 0.179 147 N C 1.990 177.447 175.510 -0.088 0.000 1.016 147 N CA 0.508 53.541 53.050 -0.028 0.000 0.871 147 N CB -0.390 38.047 38.487 -0.084 0.000 0.987 147 N HN 0.187 nan 8.380 nan 0.000 0.431 148 V N 1.282 121.087 119.914 -0.182 0.000 2.392 148 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 148 V C 2.118 177.968 176.094 -0.408 0.000 1.059 148 V CA 1.710 63.791 62.300 -0.366 0.000 1.051 148 V CB -0.807 30.800 31.823 -0.360 0.000 0.658 148 V HN 0.340 nan 8.190 nan 0.000 0.455 149 T N -0.482 113.974 114.554 -0.163 0.000 2.857 149 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 149 T C 1.639 176.301 174.700 -0.063 0.000 1.048 149 T CA 1.303 63.367 62.100 -0.060 0.000 1.139 149 T CB -0.314 68.556 68.868 0.004 0.000 0.874 149 T HN 0.375 nan 8.240 nan 0.000 0.455 150 F N 1.687 121.587 119.950 -0.083 0.000 2.259 150 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 150 F C 2.249 178.126 175.800 0.128 0.000 1.088 150 F CA 0.686 58.682 58.000 -0.006 0.000 1.358 150 F CB -0.243 38.701 39.000 -0.094 0.000 1.040 150 F HN 0.065 nan 8.300 nan 0.000 0.505 151 D N -0.740 119.748 120.400 0.146 0.000 2.084 151 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 151 D C 2.285 178.715 176.300 0.216 0.000 0.990 151 D CA 1.477 55.529 54.000 0.087 0.000 0.826 151 D CB -0.688 40.049 40.800 -0.104 0.000 0.971 151 D HN 0.333 nan 8.370 nan 0.000 0.453 152 Y N 0.174 120.516 120.300 0.070 0.000 2.165 152 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 152 Y C 2.411 178.330 175.900 0.032 0.000 1.155 152 Y CA -0.126 57.994 58.100 0.033 0.000 1.164 152 Y CB -0.082 38.374 38.460 -0.006 0.000 0.978 152 Y HN -0.021 nan 8.280 nan 0.000 0.513 153 L N 0.020 121.357 121.223 0.190 0.000 2.042 153 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 153 L C 1.916 178.827 176.870 0.068 0.000 1.076 153 L CA 2.027 56.900 54.840 0.056 0.000 0.749 153 L CB -0.777 41.245 42.059 -0.061 0.000 0.893 153 L HN 0.162 nan 8.230 nan 0.000 0.432 154 H N -0.837 118.335 119.070 0.171 0.000 2.333 154 H HA 0.067 4.623 4.556 -0.000 0.000 0.302 154 H C 2.205 177.658 175.328 0.208 0.000 1.075 154 H CA 1.442 57.656 56.048 0.277 0.000 1.348 154 H CB -0.460 29.490 29.762 0.313 0.000 1.393 154 H HN 0.468 nan 8.280 nan 0.000 0.509 155 A N -0.585 122.410 122.820 0.291 0.000 1.948 155 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 155 A C 2.414 180.046 177.584 0.081 0.000 1.177 155 A CA 2.501 54.650 52.037 0.186 0.000 0.636 155 A CB -0.926 18.195 19.000 0.201 0.000 0.815 155 A HN 0.490 nan 8.150 nan 0.000 0.449 156 T N -1.968 112.595 114.554 0.015 0.000 3.021 156 T HA 0.323 4.673 4.350 -0.000 0.000 0.245 156 T C 2.010 176.575 174.700 -0.225 0.000 1.028 156 T CA 1.221 63.262 62.100 -0.097 0.000 1.139 156 T CB -0.356 68.438 68.868 -0.123 0.000 0.884 156 T HN 0.510 nan 8.240 nan 0.000 0.457 157 A N 0.181 122.819 122.820 -0.304 0.000 1.978 157 A HA 0.123 4.443 4.320 -0.000 0.000 0.220 157 A C 1.262 178.381 177.584 -0.774 0.000 1.170 157 A CA 1.188 52.809 52.037 -0.693 0.000 0.636 157 A CB -0.649 17.982 19.000 -0.616 0.000 0.810 157 A HN 0.626 nan 8.150 nan 0.000 0.448 158 F N 0.377 120.300 119.950 -0.045 0.000 2.855 158 F HA 0.171 4.698 4.527 -0.000 0.000 0.317 158 F C 0.593 176.392 175.800 -0.002 0.000 1.169 158 F CA -0.738 57.273 58.000 0.018 0.000 1.299 158 F CB 0.143 39.205 39.000 0.103 0.000 0.962 158 F HN 0.313 nan 8.300 nan 0.000 0.506 159 Q N 0.244 120.078 119.800 0.056 0.000 2.310 159 Q HA 0.204 4.544 4.340 -0.000 0.000 0.315 159 Q C 1.102 177.129 176.000 0.046 0.000 1.081 159 Q CA 0.811 56.633 55.803 0.032 0.000 0.981 159 Q CB 0.375 29.088 28.738 -0.042 0.000 1.184 159 Q HN 0.540 nan 8.270 nan 0.000 0.389 160 G N 1.658 110.485 108.800 0.044 0.000 2.143 160 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 160 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 160 G C 0.137 175.066 174.900 0.048 0.000 0.991 160 G CA 0.507 45.628 45.100 0.036 0.000 0.689 160 G HN 1.265 nan 8.290 nan 0.000 0.522 161 T N -4.942 109.653 114.554 0.068 0.000 2.742 161 T HA 0.844 5.194 4.350 -0.000 0.000 0.282 161 T C 1.433 176.148 174.700 0.024 0.000 1.025 161 T CA 0.521 62.650 62.100 0.049 0.000 1.020 161 T CB 1.380 70.291 68.868 0.071 0.000 1.317 161 T HN 1.343 nan 8.240 nan 0.000 0.538 162 A N 0.017 122.821 122.820 -0.026 0.000 1.898 162 A HA 0.209 4.529 4.320 -0.000 0.000 0.216 162 A C 2.243 179.781 177.584 -0.076 0.000 1.181 162 A CA 0.995 52.999 52.037 -0.055 0.000 0.620 162 A CB -1.199 17.739 19.000 -0.102 0.000 0.819 162 A HN 0.773 nan 8.150 nan 0.000 0.442 163 L N -0.522 120.614 121.223 -0.144 0.000 2.549 163 L HA -0.133 4.207 4.340 -0.000 0.000 0.229 163 L C 2.644 179.575 176.870 0.102 0.000 1.158 163 L CA 0.510 55.240 54.840 -0.183 0.000 0.842 163 L CB -0.296 41.394 42.059 -0.615 0.000 0.952 163 L HN 0.467 nan 8.230 nan 0.000 0.452 164 A N -0.264 122.641 122.820 0.142 0.000 2.167 164 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 164 A C 1.179 178.843 177.584 0.133 0.000 1.151 164 A CA 0.273 52.431 52.037 0.203 0.000 0.735 164 A CB -0.150 18.942 19.000 0.154 0.000 0.802 164 A HN 0.282 nan 8.150 nan 0.000 0.467 165 R N 0.400 120.939 120.500 0.065 0.000 2.532 165 R HA 0.411 4.751 4.340 -0.000 0.000 0.272 165 R C 0.171 176.465 176.300 -0.010 0.000 1.032 165 R CA 0.194 56.312 56.100 0.030 0.000 1.089 165 R CB 0.628 30.935 30.300 0.012 0.000 1.098 165 R HN 0.364 nan 8.270 nan 0.000 0.526 166 T N -2.202 112.334 114.554 -0.028 0.000 2.882 166 T HA 0.110 4.460 4.350 -0.000 0.000 0.287 166 T C 1.390 176.026 174.700 -0.107 0.000 1.014 166 T CA -0.921 61.129 62.100 -0.084 0.000 1.049 166 T CB 1.179 69.989 68.868 -0.097 0.000 1.001 166 T HN 0.212 nan 8.240 nan 0.000 0.525 167 V N 1.692 121.515 119.914 -0.151 0.000 2.427 167 V HA -0.068 4.052 4.120 -0.000 0.000 0.248 167 V C 2.530 178.470 176.094 -0.256 0.000 1.051 167 V CA 1.739 63.950 62.300 -0.149 0.000 1.048 167 V CB -0.943 30.799 31.823 -0.136 0.000 0.666 167 V HN 0.867 nan 8.190 nan 0.000 0.456 168 E N 0.292 120.220 120.200 -0.454 0.000 2.274 168 E HA 0.271 4.621 4.350 -0.000 0.000 0.194 168 E C 1.171 177.653 176.600 -0.197 0.000 0.996 168 E CA 0.752 56.773 56.400 -0.632 0.000 0.840 168 E CB -0.319 28.966 29.700 -0.692 0.000 0.772 168 E HN 0.638 nan 8.360 nan 0.000 0.491 169 G N -0.638 108.088 108.800 -0.125 0.000 2.660 169 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.247 169 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.247 169 G C -0.039 174.839 174.900 -0.036 0.000 1.328 169 G CA -0.458 44.616 45.100 -0.042 0.000 0.884 169 G HN 0.101 nan 8.290 nan 0.000 0.531 170 T N -0.218 114.333 114.554 -0.005 0.000 2.881 170 T HA 0.563 4.913 4.350 -0.000 0.000 0.278 170 T C 1.875 176.570 174.700 -0.008 0.000 0.982 170 T CA 0.479 62.579 62.100 -0.001 0.000 0.989 170 T CB 1.306 70.185 68.868 0.018 0.000 1.058 170 T HN 0.752 nan 8.240 nan 0.000 0.529 171 T N 1.334 115.880 114.554 -0.013 0.000 2.821 171 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 171 T C 1.941 176.615 174.700 -0.043 0.000 1.046 171 T CA 0.923 63.005 62.100 -0.031 0.000 1.139 171 T CB -0.071 68.781 68.868 -0.026 0.000 0.871 171 T HN 0.458 nan 8.240 nan 0.000 0.454 172 E N 1.647 121.843 120.200 -0.007 0.000 2.031 172 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 172 E C 2.256 178.872 176.600 0.027 0.000 0.994 172 E CA 1.009 57.420 56.400 0.018 0.000 0.800 172 E CB -0.617 29.143 29.700 0.101 0.000 0.752 172 E HN 0.344 nan 8.360 nan 0.000 0.447 173 N N 0.696 119.431 118.700 0.058 0.000 2.137 173 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 173 N C 1.915 177.475 175.510 0.084 0.000 1.017 173 N CA 0.839 53.936 53.050 0.078 0.000 0.859 173 N CB -0.260 38.267 38.487 0.067 0.000 1.002 173 N HN 0.202 nan 8.380 nan 0.000 0.428 174 I N 0.266 120.869 120.570 0.055 0.000 2.617 174 I HA -0.124 4.046 4.170 -0.000 0.000 0.256 174 I C 1.638 177.789 176.117 0.056 0.000 1.167 174 I CA 0.786 62.152 61.300 0.110 0.000 1.469 174 I CB 0.037 38.037 38.000 0.001 0.000 1.098 174 I HN 0.062 nan 8.210 nan 0.000 0.436 175 K N -0.344 119.972 120.400 -0.141 0.000 2.366 175 K HA -0.050 4.270 4.320 -0.000 0.000 0.198 175 K C 1.281 177.638 176.600 -0.406 0.000 1.044 175 K CA 0.805 56.898 56.287 -0.323 0.000 0.973 175 K CB 0.124 32.299 32.500 -0.542 0.000 0.767 175 K HN 0.400 nan 8.250 nan 0.000 0.475 176 H N -0.820 118.284 119.070 0.056 0.000 3.241 176 H HA 0.188 4.744 4.556 -0.000 0.000 0.260 176 H C 0.307 175.628 175.328 -0.011 0.000 1.084 176 H CA -0.333 55.728 56.048 0.022 0.000 1.203 176 H CB 0.303 30.073 29.762 0.012 0.000 1.524 176 H HN -0.013 nan 8.280 nan 0.000 0.521 177 L N 2.168 123.431 121.223 0.067 0.000 2.573 177 L HA -0.041 4.299 4.340 -0.000 0.000 0.290 177 L C 0.475 177.248 176.870 -0.163 0.000 1.247 177 L CA 0.908 55.706 54.840 -0.071 0.000 0.876 177 L CB 0.398 42.353 42.059 -0.173 0.000 1.123 177 L HN 0.068 nan 8.230 nan 0.000 0.505 178 T N 2.695 117.155 114.554 -0.157 0.000 2.940 178 T HA 0.216 4.566 4.350 -0.000 0.000 0.288 178 T C 1.004 175.590 174.700 -0.191 0.000 1.033 178 T CA -0.734 61.278 62.100 -0.146 0.000 1.033 178 T CB 1.990 70.814 68.868 -0.074 0.000 1.079 178 T HN 0.542 nan 8.240 nan 0.000 0.496 179 R N 0.985 121.394 120.500 -0.151 0.000 2.117 179 R HA -0.167 4.173 4.340 -0.000 0.000 0.243 179 R C 2.147 178.382 176.300 -0.108 0.000 1.143 179 R CA 1.929 57.949 56.100 -0.135 0.000 0.968 179 R CB -0.839 29.410 30.300 -0.085 0.000 0.863 179 R HN 0.736 nan 8.270 nan 0.000 0.444 180 A N 1.121 123.890 122.820 -0.084 0.000 1.858 180 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 180 A C 1.695 179.243 177.584 -0.060 0.000 1.190 180 A CA 1.983 53.983 52.037 -0.061 0.000 0.617 180 A CB -0.626 18.347 19.000 -0.046 0.000 0.827 180 A HN 0.430 nan 8.150 nan 0.000 0.443 181 D N 0.351 120.709 120.400 -0.070 0.000 2.149 181 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 181 D C 1.807 178.081 176.300 -0.042 0.000 0.990 181 D CA 1.286 55.257 54.000 -0.047 0.000 0.839 181 D CB -0.301 40.462 40.800 -0.061 0.000 0.948 181 D HN 0.455 nan 8.370 nan 0.000 0.460 182 L N 0.415 121.566 121.223 -0.119 0.000 2.056 182 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 182 L C 2.524 179.369 176.870 -0.042 0.000 1.078 182 L CA 1.027 55.795 54.840 -0.120 0.000 0.749 182 L CB -0.583 41.341 42.059 -0.225 0.000 0.901 182 L HN 0.065 nan 8.230 nan 0.000 0.433 183 A N -0.429 122.358 122.820 -0.055 0.000 1.858 183 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 183 A C 2.568 180.130 177.584 -0.037 0.000 1.190 183 A CA 2.065 54.077 52.037 -0.042 0.000 0.617 183 A CB -0.857 18.116 19.000 -0.045 0.000 0.827 183 A HN 0.347 nan 8.150 nan 0.000 0.443 184 S N -1.837 113.845 115.700 -0.030 0.000 2.365 184 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 184 S C 1.884 176.454 174.600 -0.050 0.000 1.039 184 S CA 1.971 60.147 58.200 -0.039 0.000 1.033 184 S CB -0.606 62.582 63.200 -0.021 0.000 0.887 184 S HN 0.648 nan 8.310 nan 0.000 0.447 185 Y N 1.710 121.943 120.300 -0.111 0.000 2.097 185 Y HA -0.126 4.424 4.550 -0.000 0.000 0.282 185 Y C 1.964 177.723 175.900 -0.236 0.000 1.152 185 Y CA 2.100 60.151 58.100 -0.082 0.000 1.136 185 Y CB -0.443 37.973 38.460 -0.073 0.000 0.975 185 Y HN 0.315 nan 8.280 nan 0.000 0.498 186 I N 0.128 120.612 120.570 -0.144 0.000 2.163 186 I HA -0.331 3.838 4.170 -0.000 0.000 0.243 186 I C 1.881 177.845 176.117 -0.253 0.000 1.085 186 I CA 1.764 62.834 61.300 -0.383 0.000 1.347 186 I CB -0.521 37.401 38.000 -0.129 0.000 1.044 186 I HN 0.237 nan 8.210 nan 0.000 0.408 187 D N 0.233 120.542 120.400 -0.151 0.000 2.264 187 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 187 D C 2.111 178.301 176.300 -0.184 0.000 0.966 187 D CA 1.330 55.263 54.000 -0.112 0.000 0.864 187 D CB -0.029 40.726 40.800 -0.076 0.000 0.933 187 D HN 0.366 nan 8.370 nan 0.000 0.499 188 T N -0.663 113.698 114.554 -0.322 0.000 2.976 188 T HA -0.013 4.337 4.350 -0.000 0.000 0.257 188 T C 1.513 175.805 174.700 -0.680 0.000 1.051 188 T CA 0.637 62.438 62.100 -0.499 0.000 1.141 188 T CB 0.291 68.762 68.868 -0.662 0.000 0.881 188 T HN 0.261 nan 8.240 nan 0.000 0.461 189 H N -0.596 118.222 119.070 -0.420 0.000 2.545 189 H HA 0.296 4.852 4.556 -0.000 0.000 0.283 189 H C 0.222 175.484 175.328 -0.109 0.000 0.997 189 H CA -0.122 55.681 56.048 -0.408 0.000 1.269 189 H CB 0.026 29.306 29.762 -0.804 0.000 1.451 189 H HN 0.343 nan 8.280 nan 0.000 0.508 190 F N 3.105 123.016 119.950 -0.065 0.000 2.600 190 F HA 0.192 4.719 4.527 -0.000 0.000 0.345 190 F C 0.292 176.066 175.800 -0.044 0.000 1.271 190 F CA -0.105 57.878 58.000 -0.029 0.000 1.138 190 F CB -0.006 39.001 39.000 0.012 0.000 1.449 190 F HN -0.248 nan 8.300 nan 0.000 0.645 191 K N 1.151 121.624 120.400 0.122 0.000 2.422 191 K HA 0.494 4.814 4.320 -0.000 0.000 0.251 191 K C 0.520 177.118 176.600 -0.003 0.000 0.933 191 K CA -0.650 55.661 56.287 0.039 0.000 0.798 191 K CB 2.111 34.612 32.500 0.003 0.000 1.238 191 K HN 0.389 nan 8.250 nan 0.000 0.428 192 A N 4.306 127.107 122.820 -0.031 0.000 1.906 192 A HA -0.191 4.129 4.320 -0.000 0.000 0.222 192 A C -0.474 177.080 177.584 -0.051 0.000 1.282 192 A CA 2.046 54.039 52.037 -0.072 0.000 0.675 192 A CB -1.558 17.410 19.000 -0.053 0.000 0.838 192 A HN 0.667 nan 8.150 nan 0.000 0.469 193 P HA -0.143 nan 4.420 nan 0.000 0.222 193 P C 0.926 178.228 177.300 0.003 0.000 1.147 193 P CA 1.311 64.407 63.100 -0.007 0.000 0.790 193 P CB -0.159 31.541 31.700 0.000 0.000 0.780 194 R N -1.666 118.835 120.500 0.002 0.000 2.362 194 R HA 0.337 4.677 4.340 -0.000 0.000 0.227 194 R C 1.074 177.380 176.300 0.010 0.000 0.905 194 R CA 0.016 56.125 56.100 0.015 0.000 1.067 194 R CB 0.055 30.364 30.300 0.015 0.000 1.078 194 R HN 0.273 nan 8.270 nan 0.000 0.516 195 M N 0.038 119.626 119.600 -0.020 0.000 2.724 195 M HA 0.449 4.929 4.480 -0.000 0.000 0.310 195 M C -0.882 175.400 176.300 -0.030 0.000 1.217 195 M CA -1.056 54.221 55.300 -0.039 0.000 0.894 195 M CB 2.705 35.228 32.600 -0.127 0.000 1.719 195 M HN -0.304 nan 8.290 nan 0.000 0.479 196 V N 2.291 122.217 119.914 0.020 0.000 2.612 196 V HA 0.338 4.458 4.120 -0.000 0.000 0.301 196 V C -1.350 174.816 176.094 0.119 0.000 1.059 196 V CA -0.697 61.635 62.300 0.054 0.000 0.886 196 V CB 2.274 34.151 31.823 0.089 0.000 1.007 196 V HN 0.656 nan 8.190 nan 0.000 0.426 197 L N 5.336 126.601 121.223 0.070 0.000 2.261 197 L HA 0.846 5.186 4.340 -0.000 0.000 0.289 197 L C 0.326 177.308 176.870 0.187 0.000 1.059 197 L CA 0.378 55.313 54.840 0.159 0.000 0.816 197 L CB 0.770 42.920 42.059 0.153 0.000 1.191 197 L HN 0.796 nan 8.230 nan 0.000 0.431 198 A N 4.397 127.379 122.820 0.271 0.000 2.340 198 A HA 0.987 5.307 4.320 -0.000 0.000 0.331 198 A C -0.837 176.858 177.584 0.184 0.000 1.140 198 A CA -0.036 52.085 52.037 0.140 0.000 0.801 198 A CB 1.463 20.410 19.000 -0.088 0.000 1.234 198 A HN 1.020 nan 8.150 nan 0.000 0.469 199 A N 0.155 123.034 122.820 0.098 0.000 2.549 199 A HA 0.898 5.218 4.320 -0.000 0.000 0.297 199 A C -0.557 177.055 177.584 0.047 0.000 1.061 199 A CA 0.097 52.195 52.037 0.102 0.000 0.690 199 A CB 1.380 20.445 19.000 0.108 0.000 1.287 199 A HN 2.518 nan 8.150 nan 0.000 0.402 200 A N 0.473 123.320 122.820 0.045 0.000 2.486 200 A HA 1.028 5.348 4.320 -0.000 0.000 0.300 200 A C 0.249 177.848 177.584 0.024 0.000 1.048 200 A CA 0.278 52.325 52.037 0.016 0.000 0.696 200 A CB 1.200 20.193 19.000 -0.012 0.000 1.278 200 A HN 2.888 nan 8.150 nan 0.000 0.405 201 G N -0.026 108.782 108.800 0.014 0.000 2.236 201 G HA2 0.466 4.426 3.960 -0.000 0.000 0.231 201 G HA3 0.466 4.426 3.960 -0.000 0.000 0.231 201 G C 0.245 175.151 174.900 0.011 0.000 1.334 201 G CA 0.042 45.150 45.100 0.013 0.000 1.137 201 G HN 1.894 nan 8.290 nan 0.000 0.482 202 G N 0.403 109.209 108.800 0.009 0.000 2.807 202 G HA2 0.589 4.549 3.960 -0.000 0.000 0.316 202 G HA3 0.589 4.549 3.960 -0.000 0.000 0.316 202 G C -0.294 174.613 174.900 0.012 0.000 0.900 202 G CA -0.001 45.103 45.100 0.008 0.000 1.499 202 G HN 0.719 nan 8.290 nan 0.000 0.484 203 I N 0.450 121.033 120.570 0.021 0.000 2.722 203 I HA 0.232 4.402 4.170 -0.000 0.000 0.295 203 I C -0.118 176.023 176.117 0.041 0.000 1.161 203 I CA -0.921 60.396 61.300 0.028 0.000 1.032 203 I CB 2.593 40.614 38.000 0.035 0.000 1.244 203 I HN 0.306 nan 8.210 nan 0.000 0.421 204 S N 3.382 119.105 115.700 0.037 0.000 2.448 204 S HA 0.106 4.576 4.470 -0.000 0.000 0.279 204 S C 1.090 175.733 174.600 0.071 0.000 1.195 204 S CA -0.038 58.193 58.200 0.052 0.000 1.051 204 S CB 0.104 63.322 63.200 0.030 0.000 0.948 204 S HN 0.706 nan 8.310 nan 0.000 0.493 205 H N 5.510 124.586 119.070 0.010 0.000 2.325 205 H HA -0.167 4.389 4.556 -0.000 0.000 0.293 205 H C 1.653 176.994 175.328 0.022 0.000 1.106 205 H CA 2.722 58.779 56.048 0.015 0.000 1.247 205 H CB 0.075 29.842 29.762 0.008 0.000 1.359 205 H HN 0.718 nan 8.280 nan 0.000 0.488 206 K N 0.097 120.476 120.400 -0.035 0.000 2.026 206 K HA -0.146 4.173 4.320 -0.000 0.000 0.208 206 K C 2.327 178.882 176.600 -0.075 0.000 1.048 206 K CA 1.675 57.915 56.287 -0.078 0.000 0.929 206 K CB -0.116 32.388 32.500 0.008 0.000 0.713 206 K HN 0.492 nan 8.250 nan 0.000 0.439 207 E N 0.779 120.960 120.200 -0.033 0.000 2.118 207 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 207 E C 2.013 178.596 176.600 -0.028 0.000 0.992 207 E CA 0.802 57.189 56.400 -0.021 0.000 0.804 207 E CB -0.082 29.615 29.700 -0.004 0.000 0.741 207 E HN 0.118 nan 8.360 nan 0.000 0.458 208 L N 0.676 121.871 121.223 -0.047 0.000 1.961 208 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 208 L C 2.407 179.249 176.870 -0.046 0.000 1.072 208 L CA 1.519 56.339 54.840 -0.035 0.000 0.749 208 L CB -0.900 41.138 42.059 -0.034 0.000 0.889 208 L HN 0.015 nan 8.230 nan 0.000 0.432 209 V N -0.145 119.676 119.914 -0.154 0.000 2.469 209 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 209 V C 2.168 178.238 176.094 -0.039 0.000 1.064 209 V CA 2.373 64.604 62.300 -0.114 0.000 1.066 209 V CB -0.626 31.055 31.823 -0.236 0.000 0.667 209 V HN 0.598 nan 8.190 nan 0.000 0.461 210 D N 0.605 120.978 120.400 -0.045 0.000 2.097 210 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 210 D C 2.195 178.492 176.300 -0.004 0.000 0.984 210 D CA 1.782 55.768 54.000 -0.023 0.000 0.826 210 D CB -0.329 40.457 40.800 -0.023 0.000 0.973 210 D HN 0.580 nan 8.370 nan 0.000 0.460 211 A N 0.857 123.688 122.820 0.018 0.000 2.067 211 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 211 A C 2.204 179.852 177.584 0.106 0.000 1.158 211 A CA 1.772 53.853 52.037 0.074 0.000 0.661 211 A CB -0.323 18.719 19.000 0.069 0.000 0.801 211 A HN 0.237 nan 8.150 nan 0.000 0.452 212 A N 0.031 122.902 122.820 0.085 0.000 1.840 212 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 212 A C 2.176 179.843 177.584 0.137 0.000 1.198 212 A CA 1.332 53.472 52.037 0.172 0.000 0.608 212 A CB -0.474 18.660 19.000 0.223 0.000 0.839 212 A HN 0.474 nan 8.150 nan 0.000 0.443 213 R N -0.752 119.791 120.500 0.072 0.000 2.117 213 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 213 R C 2.497 178.778 176.300 -0.032 0.000 1.143 213 R CA 1.867 57.989 56.100 0.036 0.000 0.968 213 R CB -0.279 30.023 30.300 0.004 0.000 0.863 213 R HN 0.753 nan 8.270 nan 0.000 0.444 214 Q N -0.828 118.906 119.800 -0.110 0.000 2.079 214 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 214 Q C 0.967 176.684 176.000 -0.471 0.000 0.974 214 Q CA 1.680 57.302 55.803 -0.302 0.000 0.840 214 Q CB 0.196 28.689 28.738 -0.409 0.000 0.898 214 Q HN 0.562 nan 8.270 nan 0.000 0.430 215 H N -2.625 116.334 119.070 -0.186 0.000 2.740 215 H HA 0.184 4.740 4.556 -0.000 0.000 0.265 215 H C -0.554 174.570 175.328 -0.340 0.000 0.978 215 H CA -0.121 55.746 56.048 -0.302 0.000 1.198 215 H CB 0.603 30.099 29.762 -0.443 0.000 1.467 215 H HN 0.034 nan 8.280 nan 0.000 0.511 216 F N 1.824 121.824 119.950 0.083 0.000 2.300 216 F HA 0.173 4.700 4.527 -0.000 0.000 0.364 216 F C 0.980 176.788 175.800 0.012 0.000 1.090 216 F CA -0.685 57.344 58.000 0.048 0.000 1.200 216 F CB 0.913 39.940 39.000 0.045 0.000 1.493 216 F HN 0.179 nan 8.300 nan 0.000 0.518 217 S N 1.443 117.232 115.700 0.149 0.000 2.346 217 S HA 0.108 4.578 4.470 -0.000 0.000 0.204 217 S C 1.659 176.288 174.600 0.048 0.000 1.008 217 S CA 0.354 58.593 58.200 0.066 0.000 0.925 217 S CB -0.984 62.232 63.200 0.026 0.000 0.903 217 S HN 0.600 nan 8.310 nan 0.000 0.537 218 G N 2.880 111.712 108.800 0.052 0.000 2.763 218 G HA2 0.056 4.016 3.960 -0.000 0.000 0.338 218 G HA3 0.056 4.016 3.960 -0.000 0.000 0.338 218 G C -0.148 174.735 174.900 -0.028 0.000 0.205 218 G CA 0.171 45.286 45.100 0.026 0.000 1.196 218 G HN 0.513 nan 8.290 nan 0.000 0.417 219 V N 3.121 122.974 119.914 -0.103 0.000 2.465 219 V HA 0.354 4.474 4.120 -0.000 0.000 0.279 219 V C 0.951 176.840 176.094 -0.342 0.000 1.045 219 V CA -0.233 61.956 62.300 -0.186 0.000 0.938 219 V CB 1.407 33.106 31.823 -0.207 0.000 0.986 219 V HN 0.902 nan 8.190 nan 0.000 0.467 220 S N 3.941 119.498 115.700 -0.239 0.000 2.576 220 S HA 0.413 4.883 4.470 -0.000 0.000 0.276 220 S C 0.325 174.734 174.600 -0.318 0.000 1.339 220 S CA -0.239 57.840 58.200 -0.200 0.000 1.039 220 S CB 0.630 63.791 63.200 -0.065 0.000 0.902 220 S HN 0.445 nan 8.310 nan 0.000 0.516 221 F N 0.733 120.692 119.950 0.016 0.000 2.390 221 F HA 0.149 4.676 4.527 -0.000 0.000 0.281 221 F C 1.940 177.769 175.800 0.048 0.000 1.016 221 F CA 0.466 58.483 58.000 0.028 0.000 1.286 221 F CB -0.778 38.236 39.000 0.023 0.000 1.134 221 F HN 0.681 nan 8.300 nan 0.000 0.597 222 T N -1.559 113.149 114.554 0.256 0.000 2.849 222 T HA 0.064 4.414 4.350 -0.000 0.000 0.284 222 T C 0.795 175.579 174.700 0.140 0.000 1.004 222 T CA -0.291 61.928 62.100 0.198 0.000 1.021 222 T CB 0.601 69.537 68.868 0.113 0.000 1.013 222 T HN 0.439 nan 8.240 nan 0.000 0.527 223 Y N 0.128 120.458 120.300 0.050 0.000 2.373 223 Y HA 0.186 4.735 4.550 -0.000 0.000 0.293 223 Y C 2.315 178.234 175.900 0.032 0.000 1.129 223 Y CA 0.452 58.573 58.100 0.035 0.000 1.226 223 Y CB -0.463 38.015 38.460 0.031 0.000 1.000 223 Y HN 0.510 nan 8.280 nan 0.000 0.549 224 K N 0.974 120.796 120.400 -0.963 0.000 2.063 224 K HA -0.177 4.142 4.320 -0.000 0.000 0.208 224 K C 1.857 178.291 176.600 -0.277 0.000 1.048 224 K CA 2.002 57.862 56.287 -0.712 0.000 0.928 224 K CB -0.192 31.936 32.500 -0.619 0.000 0.713 224 K HN 0.549 nan 8.250 nan 0.000 0.442 225 E N 0.879 120.978 120.200 -0.169 0.000 2.160 225 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 225 E C 0.834 177.402 176.600 -0.053 0.000 0.991 225 E CA 1.297 57.650 56.400 -0.079 0.000 0.810 225 E CB -0.053 29.632 29.700 -0.024 0.000 0.742 225 E HN 0.495 nan 8.360 nan 0.000 0.466 226 D N -0.239 120.138 120.400 -0.038 0.000 2.463 226 D HA 0.180 4.820 4.640 -0.000 0.000 0.224 226 D C -0.208 176.094 176.300 0.003 0.000 1.174 226 D CA -0.182 53.810 54.000 -0.012 0.000 0.829 226 D CB 0.345 41.145 40.800 0.001 0.000 0.993 226 D HN -0.048 nan 8.370 nan 0.000 0.497 227 A N 0.762 123.574 122.820 -0.013 0.000 2.276 227 A HA 0.441 4.761 4.320 -0.000 0.000 0.316 227 A C -0.175 177.418 177.584 0.016 0.000 1.229 227 A CA -0.805 51.239 52.037 0.012 0.000 0.851 227 A CB 1.678 20.681 19.000 0.005 0.000 1.165 227 A HN 0.168 nan 8.150 nan 0.000 0.513 228 V N 6.183 126.121 119.914 0.040 0.000 2.405 228 V HA 0.366 4.486 4.120 -0.000 0.000 0.264 228 V C -1.692 174.448 176.094 0.077 0.000 1.048 228 V CA -1.693 60.642 62.300 0.060 0.000 0.966 228 V CB 0.570 32.435 31.823 0.069 0.000 1.015 228 V HN 0.862 nan 8.190 nan 0.000 0.477 229 P HA 0.189 nan 4.420 nan 0.000 0.264 229 P C -0.433 176.934 177.300 0.113 0.000 1.193 229 P CA 0.076 63.235 63.100 0.097 0.000 0.763 229 P CB 0.649 32.418 31.700 0.114 0.000 0.810 230 I N 3.558 124.175 120.570 0.078 0.000 2.325 230 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 230 I C 0.920 177.056 176.117 0.031 0.000 1.019 230 I CA -0.814 60.523 61.300 0.062 0.000 1.302 230 I CB 0.571 38.604 38.000 0.055 0.000 1.401 230 I HN 0.184 nan 8.210 nan 0.000 0.485 231 L N 8.275 129.493 121.223 -0.008 0.000 2.397 231 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 231 L C -1.681 175.161 176.870 -0.046 0.000 1.148 231 L CA -1.645 53.151 54.840 -0.073 0.000 0.825 231 L CB 0.073 42.007 42.059 -0.209 0.000 1.117 231 L HN 0.430 nan 8.230 nan 0.000 0.456 232 P HA 0.046 nan 4.420 nan 0.000 0.268 232 P C -0.668 176.615 177.300 -0.029 0.000 1.204 232 P CA -0.427 62.661 63.100 -0.020 0.000 0.768 232 P CB 0.604 32.296 31.700 -0.014 0.000 0.842 233 R N 2.754 123.253 120.500 -0.002 0.000 2.623 233 R HA 0.126 4.466 4.340 -0.000 0.000 0.271 233 R C -0.834 175.475 176.300 0.016 0.000 1.043 233 R CA -0.011 56.095 56.100 0.009 0.000 1.083 233 R CB 0.005 30.329 30.300 0.040 0.000 0.974 233 R HN 0.475 nan 8.270 nan 0.000 0.436 234 C N 5.242 124.548 119.300 0.009 0.000 2.285 234 C HA 0.332 4.792 4.460 -0.000 0.000 0.335 234 C C 0.437 175.555 174.990 0.214 0.000 1.267 234 C CA -0.606 58.441 59.018 0.048 0.000 1.762 234 C CB 0.169 27.830 27.740 -0.132 0.000 2.365 234 C HN 0.819 nan 8.230 nan 0.000 0.527 235 R N 2.979 123.609 120.500 0.217 0.000 2.389 235 R HA 0.285 4.625 4.340 -0.000 0.000 0.295 235 R C -0.704 175.803 176.300 0.346 0.000 1.075 235 R CA -0.200 56.046 56.100 0.244 0.000 1.005 235 R CB 0.403 30.786 30.300 0.139 0.000 0.987 235 R HN 0.684 nan 8.270 nan 0.000 0.452 236 F N 2.820 122.881 119.950 0.185 0.000 2.375 236 F HA 0.306 4.833 4.527 -0.000 0.000 0.333 236 F C -0.683 175.109 175.800 -0.013 0.000 1.104 236 F CA 0.277 58.306 58.000 0.048 0.000 1.149 236 F CB 1.596 40.613 39.000 0.029 0.000 1.190 236 F HN 0.421 nan 8.300 nan 0.000 0.533 237 T N 4.086 118.033 114.554 -1.010 0.000 2.937 237 T HA 0.430 4.780 4.350 -0.000 0.000 0.297 237 T C -0.167 174.056 174.700 -0.796 0.000 0.991 237 T CA -0.543 61.175 62.100 -0.636 0.000 0.990 237 T CB 1.267 69.916 68.868 -0.365 0.000 0.991 237 T HN 0.929 nan 8.240 nan 0.000 0.440 238 G N 2.502 111.101 108.800 -0.336 0.000 2.356 238 G HA2 0.497 4.457 3.960 -0.000 0.000 0.273 238 G HA3 0.497 4.457 3.960 -0.000 0.000 0.273 238 G C 0.011 174.758 174.900 -0.255 0.000 1.213 238 G CA -0.080 44.958 45.100 -0.103 0.000 0.955 238 G HN 0.991 nan 8.290 nan 0.000 0.454 239 S N 1.171 116.718 115.700 -0.255 0.000 2.656 239 S HA 0.664 5.134 4.470 -0.000 0.000 0.265 239 S C -1.028 173.464 174.600 -0.180 0.000 1.132 239 S CA -0.873 57.081 58.200 -0.411 0.000 0.819 239 S CB 1.721 64.721 63.200 -0.334 0.000 1.119 239 S HN 1.000 nan 8.310 nan 0.000 0.476 240 E N 0.074 120.164 120.200 -0.183 0.000 2.393 240 E HA 0.794 5.144 4.350 -0.000 0.000 0.273 240 E C -1.427 175.114 176.600 -0.097 0.000 0.918 240 E CA -1.191 55.181 56.400 -0.047 0.000 0.773 240 E CB 2.186 31.944 29.700 0.097 0.000 1.275 240 E HN 0.845 nan 8.360 nan 0.000 0.451 241 I N 0.836 121.350 120.570 -0.093 0.000 2.534 241 I HA 0.451 4.621 4.170 -0.000 0.000 0.288 241 I C -1.476 174.564 176.117 -0.128 0.000 1.077 241 I CA -0.790 60.418 61.300 -0.152 0.000 1.051 241 I CB 1.350 39.209 38.000 -0.235 0.000 1.234 241 I HN 0.548 nan 8.210 nan 0.000 0.425 242 R N 6.619 127.047 120.500 -0.119 0.000 2.337 242 R HA 0.650 4.990 4.340 -0.000 0.000 0.319 242 R C -0.884 175.365 176.300 -0.086 0.000 0.954 242 R CA -0.742 55.315 56.100 -0.072 0.000 0.840 242 R CB 1.898 32.177 30.300 -0.034 0.000 1.164 242 R HN 0.654 nan 8.270 nan 0.000 0.472 243 A N 3.903 126.688 122.820 -0.059 0.000 2.273 243 A HA 0.346 4.666 4.320 -0.000 0.000 0.320 243 A C -0.164 177.436 177.584 0.026 0.000 1.358 243 A CA -0.615 51.407 52.037 -0.024 0.000 0.910 243 A CB 0.399 19.432 19.000 0.055 0.000 1.159 243 A HN 0.723 nan 8.150 nan 0.000 0.526 244 R N 2.149 122.657 120.500 0.013 0.000 2.294 244 R HA 0.478 4.818 4.340 -0.000 0.000 0.319 244 R C -1.625 174.691 176.300 0.027 0.000 0.984 244 R CA -0.284 55.830 56.100 0.024 0.000 0.861 244 R CB 0.923 31.231 30.300 0.014 0.000 1.104 244 R HN 0.576 nan 8.270 nan 0.000 0.451 245 D N 3.108 123.529 120.400 0.034 0.000 2.328 245 D HA 0.120 4.760 4.640 -0.000 0.000 0.243 245 D C -0.437 175.882 176.300 0.032 0.000 1.324 245 D CA -0.419 53.599 54.000 0.030 0.000 0.966 245 D CB 1.149 41.968 40.800 0.032 0.000 1.324 245 D HN 0.529 nan 8.370 nan 0.000 0.549 246 D N 1.924 122.341 120.400 0.027 0.000 2.309 246 D HA -0.091 4.549 4.640 -0.000 0.000 0.212 246 D C 1.758 178.075 176.300 0.028 0.000 0.968 246 D CA 0.717 54.734 54.000 0.028 0.000 0.882 246 D CB 0.257 41.071 40.800 0.024 0.000 0.918 246 D HN 0.531 nan 8.370 nan 0.000 0.503 247 A N 0.320 123.155 122.820 0.024 0.000 2.066 247 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 247 A C 1.274 178.873 177.584 0.025 0.000 1.157 247 A CA 0.199 52.249 52.037 0.022 0.000 0.670 247 A CB -0.255 18.756 19.000 0.018 0.000 0.804 247 A HN 0.176 nan 8.150 nan 0.000 0.453 248 L N 0.758 121.998 121.223 0.029 0.000 2.416 248 L HA 0.111 4.451 4.340 -0.000 0.000 0.272 248 L C -0.785 176.108 176.870 0.038 0.000 1.161 248 L CA -1.422 53.438 54.840 0.033 0.000 0.845 248 L CB 0.626 42.709 42.059 0.040 0.000 1.119 248 L HN 0.182 nan 8.230 nan 0.000 0.464 249 P HA -0.098 nan 4.420 nan 0.000 0.216 249 P C 0.109 177.424 177.300 0.024 0.000 1.153 249 P CA 1.237 64.353 63.100 0.026 0.000 0.848 249 P CB 0.187 31.895 31.700 0.014 0.000 0.787 250 V N -4.756 115.176 119.914 0.030 0.000 3.078 250 V HA 0.881 5.000 4.120 -0.000 0.000 0.311 250 V C -0.797 175.369 176.094 0.121 0.000 1.138 250 V CA -1.452 60.865 62.300 0.027 0.000 1.007 250 V CB 1.491 33.237 31.823 -0.128 0.000 1.045 250 V HN 0.161 nan 8.190 nan 0.000 0.432 251 A N 1.907 124.801 122.820 0.123 0.000 2.303 251 A HA 0.793 5.113 4.320 -0.000 0.000 0.317 251 A C -0.334 177.346 177.584 0.160 0.000 1.149 251 A CA -0.590 51.548 52.037 0.167 0.000 0.822 251 A CB 0.528 19.605 19.000 0.127 0.000 1.131 251 A HN 1.055 nan 8.150 nan 0.000 0.493 252 H N 0.189 119.266 119.070 0.011 0.000 2.495 252 H HA 0.596 5.152 4.556 -0.000 0.000 0.348 252 H C -1.293 173.944 175.328 -0.153 0.000 1.113 252 H CA -0.556 55.468 56.048 -0.040 0.000 1.195 252 H CB 1.991 31.829 29.762 0.126 0.000 1.521 252 H HN 0.395 nan 8.280 nan 0.000 0.509 253 V N 1.661 121.368 119.914 -0.345 0.000 2.760 253 V HA 0.582 4.702 4.120 -0.000 0.000 0.309 253 V C -0.697 175.123 176.094 -0.457 0.000 1.077 253 V CA -0.767 61.239 62.300 -0.490 0.000 0.910 253 V CB 1.797 33.067 31.823 -0.921 0.000 1.008 253 V HN 0.919 nan 8.190 nan 0.000 0.424 254 A N 4.311 126.959 122.820 -0.287 0.000 2.398 254 A HA 0.950 5.269 4.320 -0.000 0.000 0.301 254 A C -1.664 175.718 177.584 -0.336 0.000 1.041 254 A CA -0.484 51.394 52.037 -0.267 0.000 0.711 254 A CB 1.675 20.493 19.000 -0.304 0.000 1.240 254 A HN 0.868 nan 8.150 nan 0.000 0.420 255 L N 1.779 122.668 121.223 -0.557 0.000 2.408 255 L HA 0.947 5.287 4.340 -0.000 0.000 0.268 255 L C -0.248 176.414 176.870 -0.346 0.000 0.986 255 L CA 0.206 54.726 54.840 -0.532 0.000 0.820 255 L CB 1.947 43.464 42.059 -0.902 0.000 1.303 255 L HN 1.411 nan 8.230 nan 0.000 0.411 256 A N 3.449 126.278 122.820 0.015 0.000 2.604 256 A HA 0.760 5.080 4.320 -0.000 0.000 0.295 256 A C -1.426 176.330 177.584 0.286 0.000 1.067 256 A CA -0.142 52.019 52.037 0.207 0.000 0.683 256 A CB 1.400 20.546 19.000 0.243 0.000 1.281 256 A HN 1.151 nan 8.150 nan 0.000 0.407 257 V N -1.247 118.789 119.914 0.204 0.000 3.096 257 V HA 0.718 4.838 4.120 -0.000 0.000 0.319 257 V C 0.207 176.112 176.094 -0.315 0.000 1.103 257 V CA -0.858 61.435 62.300 -0.012 0.000 1.016 257 V CB 1.508 33.312 31.823 -0.031 0.000 1.090 257 V HN 0.971 nan 8.190 nan 0.000 0.449 258 E N 0.836 120.521 120.200 -0.858 0.000 2.324 258 E HA 0.425 4.775 4.350 -0.000 0.000 0.271 258 E C 0.289 176.784 176.600 -0.175 0.000 1.028 258 E CA 0.233 56.199 56.400 -0.722 0.000 0.890 258 E CB 0.941 30.087 29.700 -0.923 0.000 1.004 258 E HN 1.075 nan 8.360 nan 0.000 0.431 259 G N 3.878 112.635 108.800 -0.072 0.000 2.477 259 G HA2 0.207 4.167 3.960 -0.000 0.000 0.304 259 G HA3 0.207 4.167 3.960 -0.000 0.000 0.304 259 G C -1.640 173.241 174.900 -0.032 0.000 1.175 259 G CA -0.977 44.062 45.100 -0.101 0.000 0.907 259 G HN 0.468 nan 8.290 nan 0.000 0.509 260 P HA 0.108 nan 4.420 nan 0.000 0.222 260 P C 0.825 178.137 177.300 0.020 0.000 1.153 260 P CA 1.290 64.414 63.100 0.040 0.000 0.798 260 P CB 0.297 32.008 31.700 0.018 0.000 0.796 261 G N -0.767 107.989 108.800 -0.073 0.000 2.784 261 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 261 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 261 G C 0.094 175.000 174.900 0.011 0.000 1.156 261 G CA -0.418 44.638 45.100 -0.074 0.000 0.757 261 G HN 0.015 nan 8.290 nan 0.000 0.642 262 W N 1.073 122.416 121.300 0.071 0.000 2.262 262 W HA -0.268 4.392 4.660 -0.000 0.000 0.349 262 W C 2.993 179.629 176.519 0.195 0.000 1.437 262 W CA 3.079 60.455 57.345 0.052 0.000 1.392 262 W CB -0.752 28.634 29.460 -0.123 0.000 1.078 262 W HN 1.286 nan 8.180 nan 0.000 0.470 263 A N -0.519 122.561 122.820 0.432 0.000 1.958 263 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 263 A C 1.073 178.840 177.584 0.305 0.000 1.178 263 A CA 1.710 53.967 52.037 0.368 0.000 0.642 263 A CB -0.916 18.233 19.000 0.248 0.000 0.816 263 A HN 0.257 nan 8.150 nan 0.000 0.453 264 D N -0.698 119.841 120.400 0.232 0.000 2.458 264 D HA 0.147 4.787 4.640 -0.000 0.000 0.243 264 D C -1.611 174.796 176.300 0.177 0.000 1.146 264 D CA -1.444 52.658 54.000 0.170 0.000 0.877 264 D CB 1.100 41.971 40.800 0.119 0.000 1.176 264 D HN 0.034 nan 8.370 nan 0.000 0.461 265 P HA -0.079 nan 4.420 nan 0.000 0.218 265 P C 0.693 178.055 177.300 0.103 0.000 1.149 265 P CA 0.598 63.787 63.100 0.148 0.000 0.817 265 P CB 0.336 32.106 31.700 0.115 0.000 0.785 266 D N -0.793 119.642 120.400 0.058 0.000 2.239 266 D HA -0.185 4.455 4.640 -0.000 0.000 0.202 266 D C 1.598 177.844 176.300 -0.089 0.000 0.993 266 D CA 0.842 54.835 54.000 -0.012 0.000 0.874 266 D CB -0.840 39.950 40.800 -0.018 0.000 0.922 266 D HN 0.170 nan 8.370 nan 0.000 0.464 267 N N 0.375 119.034 118.700 -0.069 0.000 2.258 267 N HA -0.126 4.614 4.740 -0.000 0.000 0.187 267 N C 1.907 177.403 175.510 -0.023 0.000 1.012 267 N CA 0.454 53.435 53.050 -0.114 0.000 0.870 267 N CB -0.045 38.453 38.487 0.018 0.000 0.977 267 N HN 0.151 nan 8.380 nan 0.000 0.434 268 V N 0.657 120.609 119.914 0.064 0.000 2.358 268 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 268 V C 2.438 178.567 176.094 0.059 0.000 1.047 268 V CA 1.123 63.469 62.300 0.078 0.000 1.035 268 V CB -0.406 31.481 31.823 0.107 0.000 0.658 268 V HN 0.055 nan 8.190 nan 0.000 0.452 269 V N -0.250 119.675 119.914 0.018 0.000 2.358 269 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 269 V C 2.329 178.413 176.094 -0.018 0.000 1.047 269 V CA 1.723 64.026 62.300 0.005 0.000 1.035 269 V CB -0.628 31.185 31.823 -0.016 0.000 0.658 269 V HN 0.417 nan 8.190 nan 0.000 0.452 270 L N -0.529 120.624 121.223 -0.117 0.000 2.012 270 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 270 L C 2.573 179.501 176.870 0.097 0.000 1.073 270 L CA 2.158 56.929 54.840 -0.116 0.000 0.748 270 L CB -0.825 41.037 42.059 -0.329 0.000 0.891 270 L HN 0.414 nan 8.230 nan 0.000 0.431 271 H N -1.524 117.602 119.070 0.093 0.000 2.387 271 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 271 H C 2.275 177.659 175.328 0.094 0.000 1.090 271 H CA 1.256 57.357 56.048 0.089 0.000 1.332 271 H CB 0.082 29.849 29.762 0.008 0.000 1.386 271 H HN 0.055 nan 8.280 nan 0.000 0.516 272 V N 0.678 120.704 119.914 0.186 0.000 2.295 272 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 272 V C 2.597 178.776 176.094 0.142 0.000 1.049 272 V CA 1.640 64.023 62.300 0.139 0.000 1.024 272 V CB -0.906 30.973 31.823 0.094 0.000 0.648 272 V HN 0.580 nan 8.190 nan 0.000 0.447 273 A N 0.150 123.055 122.820 0.141 0.000 1.883 273 A HA -0.314 4.006 4.320 -0.000 0.000 0.217 273 A C 2.051 179.758 177.584 0.205 0.000 1.186 273 A CA 2.461 54.594 52.037 0.160 0.000 0.624 273 A CB -0.980 18.119 19.000 0.164 0.000 0.822 273 A HN 0.679 nan 8.150 nan 0.000 0.444 274 N N -0.264 118.579 118.700 0.238 0.000 2.223 274 N HA -0.076 4.664 4.740 -0.000 0.000 0.185 274 N C 1.831 177.443 175.510 0.171 0.000 1.016 274 N CA 0.854 54.019 53.050 0.192 0.000 0.863 274 N CB -0.201 38.385 38.487 0.165 0.000 0.983 274 N HN 0.528 nan 8.380 nan 0.000 0.429 275 A N 0.923 123.847 122.820 0.172 0.000 1.969 275 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 275 A C 2.043 179.652 177.584 0.041 0.000 1.169 275 A CA 0.829 52.939 52.037 0.122 0.000 0.635 275 A CB -0.445 18.676 19.000 0.202 0.000 0.810 275 A HN 0.206 nan 8.150 nan 0.000 0.445 276 I N -0.440 120.178 120.570 0.081 0.000 2.179 276 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 276 I C 2.297 178.451 176.117 0.062 0.000 1.088 276 I CA 1.422 62.759 61.300 0.061 0.000 1.357 276 I CB -0.307 37.737 38.000 0.074 0.000 1.051 276 I HN 0.301 nan 8.210 nan 0.000 0.409 277 I N -0.139 120.491 120.570 0.098 0.000 2.333 277 I HA -0.047 4.123 4.170 -0.000 0.000 0.246 277 I C 1.766 177.999 176.117 0.195 0.000 1.106 277 I CA 0.912 62.279 61.300 0.111 0.000 1.411 277 I CB -0.822 37.237 38.000 0.099 0.000 1.082 277 I HN 0.471 nan 8.210 nan 0.000 0.420 278 G N 1.817 110.716 108.800 0.166 0.000 2.550 278 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.277 278 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.277 278 G C 0.122 175.139 174.900 0.195 0.000 1.190 278 G CA 0.479 45.656 45.100 0.128 0.000 0.971 278 G HN 0.625 nan 8.290 nan 0.000 0.559 279 R N -1.943 118.523 120.500 -0.057 0.000 2.766 279 R HA 0.779 5.119 4.340 -0.000 0.000 0.270 279 R C -1.104 174.693 176.300 -0.839 0.000 1.035 279 R CA -0.927 54.851 56.100 -0.536 0.000 0.911 279 R CB 1.515 31.720 30.300 -0.159 0.000 1.243 279 R HN 1.560 nan 8.270 nan 0.000 0.460 280 Y N 0.237 119.681 120.300 -1.427 0.000 2.689 280 Y HA 0.488 5.038 4.550 -0.000 0.000 0.333 280 Y C -2.286 172.891 175.900 -1.206 0.000 1.208 280 Y CA -0.509 56.666 58.100 -1.542 0.000 1.055 280 Y CB 2.411 40.215 38.460 -1.094 0.000 1.304 280 Y HN 1.046 nan 8.280 nan 0.000 0.455 281 D N 0.864 119.823 120.400 -2.400 0.000 2.734 281 D HA 0.242 4.882 4.640 -0.000 0.000 0.224 281 D C -0.776 174.736 176.300 -1.313 0.000 1.222 281 D CA -0.629 52.596 54.000 -1.291 0.000 0.761 281 D CB 1.178 41.663 40.800 -0.524 0.000 1.569 281 D HN 0.605 nan 8.370 nan 0.000 0.477 282 R N 0.394 120.505 120.500 -0.649 0.000 2.417 282 R HA -0.025 4.315 4.340 -0.000 0.000 0.220 282 R C 0.978 177.217 176.300 -0.102 0.000 1.128 282 R CA 1.694 57.631 56.100 -0.272 0.000 1.048 282 R CB -0.418 29.831 30.300 -0.084 0.000 0.835 282 R HN 0.637 nan 8.270 nan 0.000 0.483 283 T N -3.696 110.830 114.554 -0.046 0.000 3.085 283 T HA 0.160 4.510 4.350 -0.000 0.000 0.264 283 T C 0.135 174.931 174.700 0.161 0.000 1.019 283 T CA -0.501 61.639 62.100 0.068 0.000 0.910 283 T CB 0.089 68.991 68.868 0.056 0.000 1.059 283 T HN -0.166 nan 8.240 nan 0.000 0.542 284 F N 2.851 122.702 119.950 -0.166 0.000 2.494 284 F HA 0.531 5.058 4.527 -0.000 0.000 0.369 284 F C 1.747 177.552 175.800 0.009 0.000 1.098 284 F CA -1.085 56.873 58.000 -0.070 0.000 1.154 284 F CB 0.432 39.401 39.000 -0.051 0.000 1.103 284 F HN 0.217 nan 8.300 nan 0.000 0.549 285 G N 2.658 111.512 108.800 0.091 0.000 2.448 285 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 285 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 285 G C 1.848 176.815 174.900 0.111 0.000 1.127 285 G CA 0.662 45.810 45.100 0.079 0.000 0.766 285 G HN 0.860 nan 8.290 nan 0.000 0.552 286 G N 0.684 109.563 108.800 0.132 0.000 2.485 286 G HA2 0.169 4.129 3.960 -0.000 0.000 0.221 286 G HA3 0.169 4.129 3.960 -0.000 0.000 0.221 286 G C 1.503 176.494 174.900 0.152 0.000 1.115 286 G CA 1.095 46.283 45.100 0.148 0.000 0.751 286 G HN 1.274 nan 8.290 nan 0.000 0.567 287 G N 0.975 109.879 108.800 0.174 0.000 2.652 287 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.318 287 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.318 287 G C 1.216 176.103 174.900 -0.022 0.000 1.295 287 G CA 1.577 46.736 45.100 0.099 0.000 0.999 287 G HN 1.060 nan 8.290 nan 0.000 0.548 288 K N 0.136 120.434 120.400 -0.169 0.000 2.519 288 K HA 0.001 4.321 4.320 -0.000 0.000 0.196 288 K C 1.639 178.044 176.600 -0.325 0.000 1.041 288 K CA 2.122 58.234 56.287 -0.291 0.000 0.954 288 K CB -0.207 32.061 32.500 -0.386 0.000 0.774 288 K HN 0.734 nan 8.250 nan 0.000 0.480 289 H N 0.177 119.248 119.070 0.001 0.000 2.586 289 H HA 0.277 4.832 4.556 -0.000 0.000 0.273 289 H C -0.148 175.190 175.328 0.017 0.000 0.997 289 H CA -0.723 55.327 56.048 0.004 0.000 1.177 289 H CB 0.319 30.086 29.762 0.008 0.000 1.471 289 H HN -0.018 nan 8.280 nan 0.000 0.538 290 L N 0.755 122.042 121.223 0.107 0.000 2.514 290 L HA -0.065 4.275 4.340 -0.000 0.000 0.280 290 L C 1.198 178.109 176.870 0.067 0.000 1.223 290 L CA -0.007 54.894 54.840 0.102 0.000 0.864 290 L CB 0.815 42.943 42.059 0.115 0.000 1.118 290 L HN 0.276 nan 8.230 nan 0.000 0.494 291 S N 0.410 116.147 115.700 0.063 0.000 2.402 291 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 291 S C 1.000 175.618 174.600 0.029 0.000 1.021 291 S CA 0.646 58.870 58.200 0.041 0.000 0.974 291 S CB -0.041 63.180 63.200 0.034 0.000 0.800 291 S HN 0.719 nan 8.310 nan 0.000 0.484 292 S N 1.467 117.190 115.700 0.039 0.000 2.481 292 S HA 0.144 4.614 4.470 -0.000 0.000 0.282 292 S C 1.134 175.744 174.600 0.017 0.000 1.243 292 S CA -0.532 57.696 58.200 0.046 0.000 1.078 292 S CB 0.322 63.584 63.200 0.102 0.000 0.916 292 S HN 0.306 nan 8.310 nan 0.000 0.495 293 R N 3.049 123.543 120.500 -0.009 0.000 2.083 293 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 293 R C 2.068 178.320 176.300 -0.081 0.000 1.137 293 R CA 1.630 57.703 56.100 -0.045 0.000 0.951 293 R CB -0.510 29.758 30.300 -0.053 0.000 0.851 293 R HN 0.637 nan 8.270 nan 0.000 0.434 294 L N 0.787 121.948 121.223 -0.104 0.000 2.079 294 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 294 L C 2.212 179.032 176.870 -0.084 0.000 1.081 294 L CA 1.939 56.652 54.840 -0.212 0.000 0.752 294 L CB -0.667 41.103 42.059 -0.482 0.000 0.896 294 L HN 0.185 nan 8.230 nan 0.000 0.433 295 A N -0.688 122.176 122.820 0.074 0.000 1.898 295 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 295 A C 2.458 179.865 177.584 -0.294 0.000 1.181 295 A CA 1.741 53.726 52.037 -0.087 0.000 0.620 295 A CB -1.122 17.863 19.000 -0.026 0.000 0.819 295 A HN 0.552 nan 8.150 nan 0.000 0.442 296 A N -0.012 122.710 122.820 -0.164 0.000 1.851 296 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 296 A C 2.184 179.640 177.584 -0.213 0.000 1.195 296 A CA 1.625 53.557 52.037 -0.175 0.000 0.622 296 A CB -0.801 18.134 19.000 -0.109 0.000 0.831 296 A HN 0.472 nan 8.150 nan 0.000 0.444 297 L N -0.698 120.429 121.223 -0.159 0.000 2.042 297 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 297 L C 3.121 179.905 176.870 -0.143 0.000 1.076 297 L CA 1.195 55.976 54.840 -0.098 0.000 0.749 297 L CB -0.656 41.381 42.059 -0.037 0.000 0.893 297 L HN 0.465 nan 8.230 nan 0.000 0.432 298 A N -0.321 122.358 122.820 -0.235 0.000 1.917 298 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 298 A C 2.334 179.728 177.584 -0.316 0.000 1.182 298 A CA 2.168 54.032 52.037 -0.288 0.000 0.633 298 A CB -0.871 17.883 19.000 -0.409 0.000 0.819 298 A HN 0.216 nan 8.150 nan 0.000 0.448 299 V N -0.109 119.562 119.914 -0.404 0.000 2.283 299 V HA -0.248 3.872 4.120 -0.000 0.000 0.243 299 V C 2.543 178.493 176.094 -0.239 0.000 1.039 299 V CA 2.196 64.322 62.300 -0.290 0.000 1.016 299 V CB -0.792 30.872 31.823 -0.266 0.000 0.650 299 V HN 0.812 nan 8.190 nan 0.000 0.449 300 E N -0.426 119.586 120.200 -0.312 0.000 2.118 300 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 300 E C 1.604 177.886 176.600 -0.529 0.000 0.992 300 E CA 1.544 57.677 56.400 -0.445 0.000 0.804 300 E CB -0.026 29.316 29.700 -0.597 0.000 0.741 300 E HN 0.739 nan 8.360 nan 0.000 0.458 301 H N -0.224 118.770 119.070 -0.125 0.000 2.592 301 H HA 0.184 4.740 4.556 -0.000 0.000 0.279 301 H C -0.155 175.105 175.328 -0.113 0.000 1.089 301 H CA -0.014 55.967 56.048 -0.112 0.000 1.150 301 H CB 0.764 30.458 29.762 -0.114 0.000 1.575 301 H HN 0.018 nan 8.280 nan 0.000 0.547 302 K N 1.174 121.543 120.400 -0.051 0.000 3.278 302 K HA -0.187 4.133 4.320 -0.000 0.000 0.270 302 K C 1.024 177.585 176.600 -0.065 0.000 0.955 302 K CA 0.126 56.374 56.287 -0.065 0.000 0.723 302 K CB -1.979 30.488 32.500 -0.055 0.000 1.382 302 K HN 0.431 nan 8.250 nan 0.000 0.461 303 L N -1.513 119.660 121.223 -0.082 0.000 2.291 303 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 303 L C 1.387 178.178 176.870 -0.132 0.000 1.120 303 L CA 1.092 55.860 54.840 -0.120 0.000 0.799 303 L CB -0.105 41.851 42.059 -0.172 0.000 0.925 303 L HN 0.656 nan 8.230 nan 0.000 0.446 304 C N -5.550 113.710 119.300 -0.066 0.000 3.231 304 C HA 0.235 4.695 4.460 -0.000 0.000 0.343 304 C C 1.353 176.387 174.990 0.073 0.000 1.349 304 C CA -1.033 57.999 59.018 0.023 0.000 1.209 304 C CB 0.920 28.666 27.740 0.009 0.000 1.475 304 C HN 0.163 nan 8.230 nan 0.000 0.460 305 H N 0.924 120.033 119.070 0.065 0.000 2.470 305 H HA 0.192 4.748 4.556 -0.000 0.000 0.289 305 H C 1.051 176.378 175.328 -0.001 0.000 1.033 305 H CA 1.828 57.900 56.048 0.039 0.000 1.331 305 H CB 0.429 30.197 29.762 0.010 0.000 1.414 305 H HN 0.983 nan 8.280 nan 0.000 0.545 306 S N -0.398 115.403 115.700 0.168 0.000 2.633 306 S HA 0.412 4.881 4.470 -0.000 0.000 0.271 306 S C -1.474 173.257 174.600 0.219 0.000 1.112 306 S CA -1.043 57.193 58.200 0.059 0.000 0.828 306 S CB 1.679 64.861 63.200 -0.029 0.000 1.086 306 S HN 0.229 nan 8.310 nan 0.000 0.461 307 F N -0.726 119.277 119.950 0.088 0.000 2.678 307 F HA 0.844 5.371 4.527 -0.000 0.000 0.308 307 F C -1.693 174.209 175.800 0.170 0.000 1.118 307 F CA -0.719 57.369 58.000 0.146 0.000 0.959 307 F CB 1.205 40.264 39.000 0.098 0.000 1.305 307 F HN 1.003 nan 8.300 nan 0.000 0.443 308 Q N 1.021 121.206 119.800 0.642 0.000 2.377 308 Q HA 0.648 4.988 4.340 -0.000 0.000 0.279 308 Q C -1.586 174.759 176.000 0.574 0.000 1.049 308 Q CA -0.948 55.156 55.803 0.501 0.000 0.825 308 Q CB 2.510 31.511 28.738 0.440 0.000 1.401 308 Q HN 0.916 nan 8.270 nan 0.000 0.404 309 T N -0.603 114.200 114.554 0.414 0.000 2.943 309 T HA 0.854 5.204 4.350 -0.000 0.000 0.284 309 T C -0.328 174.511 174.700 0.231 0.000 1.015 309 T CA -0.568 61.657 62.100 0.208 0.000 1.042 309 T CB 0.696 69.647 68.868 0.139 0.000 1.055 309 T HN 0.640 nan 8.240 nan 0.000 0.500 310 F N -1.080 118.914 119.950 0.073 0.000 2.678 310 F HA 0.729 5.256 4.527 -0.000 0.000 0.308 310 F C -1.151 174.605 175.800 -0.074 0.000 1.118 310 F CA -1.260 56.782 58.000 0.069 0.000 0.959 310 F CB 1.557 40.659 39.000 0.170 0.000 1.305 310 F HN 0.608 nan 8.300 nan 0.000 0.443 311 N N 0.970 119.829 118.700 0.264 0.000 2.750 311 N HA 0.245 4.985 4.740 -0.000 0.000 0.253 311 N C -1.624 173.948 175.510 0.104 0.000 1.408 311 N CA -0.129 52.988 53.050 0.112 0.000 0.780 311 N CB 1.143 39.547 38.487 -0.137 0.000 1.191 311 N HN 0.743 nan 8.380 nan 0.000 0.511 312 T N 1.333 115.982 114.554 0.160 0.000 2.799 312 T HA 0.238 4.588 4.350 -0.000 0.000 0.296 312 T C -0.028 174.406 174.700 -0.442 0.000 0.947 312 T CA 0.285 62.318 62.100 -0.112 0.000 1.141 312 T CB 0.371 69.190 68.868 -0.082 0.000 0.891 312 T HN 0.267 nan 8.240 nan 0.000 0.533 313 S N 2.642 117.863 115.700 -0.798 0.000 2.651 313 S HA 0.728 5.198 4.470 -0.000 0.000 0.291 313 S C -0.982 172.801 174.600 -1.363 0.000 1.141 313 S CA -0.634 56.816 58.200 -1.250 0.000 1.027 313 S CB 0.843 62.791 63.200 -2.087 0.000 1.043 313 S HN 0.654 nan 8.310 nan 0.000 0.530 314 Y N -0.567 119.300 120.300 -0.722 0.000 2.677 314 Y HA 0.199 4.749 4.550 -0.000 0.000 0.334 314 Y C 1.715 177.575 175.900 -0.068 0.000 1.154 314 Y CA -1.061 56.910 58.100 -0.216 0.000 1.070 314 Y CB 1.239 39.661 38.460 -0.064 0.000 1.294 314 Y HN 0.749 nan 8.280 nan 0.000 0.475 315 S N -0.008 115.952 115.700 0.432 0.000 2.377 315 S HA -0.252 4.218 4.470 -0.000 0.000 0.224 315 S C 0.956 175.681 174.600 0.208 0.000 1.042 315 S CA 2.123 60.536 58.200 0.356 0.000 1.086 315 S CB -0.416 62.934 63.200 0.251 0.000 0.995 315 S HN 0.868 nan 8.310 nan 0.000 0.428 316 D N -0.144 120.341 120.400 0.141 0.000 2.398 316 D HA 0.267 4.907 4.640 -0.000 0.000 0.210 316 D C 0.736 177.099 176.300 0.104 0.000 1.094 316 D CA 0.338 54.402 54.000 0.106 0.000 0.839 316 D CB 0.551 41.394 40.800 0.073 0.000 0.963 316 D HN 0.467 nan 8.370 nan 0.000 0.506 317 T N -1.918 112.705 114.554 0.116 0.000 2.663 317 T HA 0.581 4.931 4.350 -0.000 0.000 0.302 317 T C -1.340 173.438 174.700 0.129 0.000 1.523 317 T CA 0.128 62.316 62.100 0.146 0.000 1.011 317 T CB 1.258 70.257 68.868 0.220 0.000 1.841 317 T HN 0.350 nan 8.240 nan 0.000 0.462 318 G N -0.098 108.840 108.800 0.231 0.000 2.322 318 G HA2 0.499 4.459 3.960 -0.000 0.000 0.295 318 G HA3 0.499 4.459 3.960 -0.000 0.000 0.295 318 G C -2.440 172.597 174.900 0.229 0.000 1.369 318 G CA -0.697 44.474 45.100 0.118 0.000 0.821 318 G HN 0.753 nan 8.290 nan 0.000 0.536 319 L N 0.306 121.633 121.223 0.173 0.000 2.376 319 L HA 0.610 4.950 4.340 -0.000 0.000 0.275 319 L C -1.380 175.685 176.870 0.325 0.000 0.987 319 L CA -0.659 54.339 54.840 0.263 0.000 0.828 319 L CB 2.173 44.437 42.059 0.342 0.000 1.249 319 L HN 0.530 nan 8.230 nan 0.000 0.409 320 F N 2.909 122.880 119.950 0.036 0.000 2.427 320 F HA 0.789 5.316 4.527 -0.000 0.000 0.348 320 F C 0.226 175.955 175.800 -0.118 0.000 1.125 320 F CA -0.023 57.918 58.000 -0.098 0.000 0.989 320 F CB 1.399 40.267 39.000 -0.219 0.000 1.165 320 F HN 0.460 nan 8.300 nan 0.000 0.442 321 G N 4.263 112.518 108.800 -0.907 0.000 2.588 321 G HA2 0.523 4.483 3.960 -0.000 0.000 0.281 321 G HA3 0.523 4.483 3.960 -0.000 0.000 0.281 321 G C -1.820 172.495 174.900 -0.976 0.000 1.223 321 G CA -0.296 44.438 45.100 -0.611 0.000 0.871 321 G HN 0.809 nan 8.290 nan 0.000 0.492 322 F N -1.028 118.585 119.950 -0.561 0.000 2.693 322 F HA 0.819 5.346 4.527 -0.000 0.000 0.309 322 F C -1.209 174.692 175.800 0.168 0.000 1.129 322 F CA -1.245 56.642 58.000 -0.189 0.000 0.948 322 F CB 1.843 40.703 39.000 -0.232 0.000 1.315 322 F HN 0.767 nan 8.300 nan 0.000 0.447 323 H N 2.130 121.494 119.070 0.490 0.000 2.771 323 H HA 0.660 5.216 4.556 -0.000 0.000 0.361 323 H C -2.204 173.356 175.328 0.387 0.000 1.108 323 H CA -0.841 55.364 56.048 0.261 0.000 1.201 323 H CB 2.335 32.251 29.762 0.256 0.000 1.681 323 H HN 0.820 nan 8.280 nan 0.000 0.534 324 F N 2.034 121.792 119.950 -0.320 0.000 2.629 324 F HA 0.649 5.176 4.527 -0.000 0.000 0.316 324 F C -1.972 173.536 175.800 -0.487 0.000 1.081 324 F CA -1.105 56.735 58.000 -0.267 0.000 0.954 324 F CB 0.888 39.882 39.000 -0.011 0.000 1.337 324 F HN 0.137 nan 8.300 nan 0.000 0.474 325 V N 1.943 121.873 119.914 0.027 0.000 2.444 325 V HA 0.904 5.024 4.120 -0.000 0.000 0.294 325 V C -0.284 175.913 176.094 0.171 0.000 1.022 325 V CA -0.243 61.964 62.300 -0.154 0.000 0.850 325 V CB 0.668 32.278 31.823 -0.356 0.000 0.992 325 V HN 1.294 nan 8.190 nan 0.000 0.426 326 A N 3.471 126.420 122.820 0.214 0.000 2.569 326 A HA 0.760 5.080 4.320 -0.000 0.000 0.290 326 A C -1.114 176.600 177.584 0.216 0.000 1.136 326 A CA -0.780 51.413 52.037 0.262 0.000 0.710 326 A CB 1.319 20.418 19.000 0.164 0.000 1.303 326 A HN 0.663 nan 8.150 nan 0.000 0.413 327 D N 1.805 122.341 120.400 0.226 0.000 2.341 327 D HA 0.236 4.876 4.640 -0.000 0.000 0.245 327 D C -1.303 175.063 176.300 0.109 0.000 1.106 327 D CA -0.933 53.167 54.000 0.167 0.000 0.905 327 D CB 0.982 41.876 40.800 0.158 0.000 1.202 327 D HN 0.255 nan 8.370 nan 0.000 0.426 328 P HA -0.182 nan 4.420 nan 0.000 0.218 328 P C 1.257 178.589 177.300 0.054 0.000 1.154 328 P CA 1.194 64.336 63.100 0.070 0.000 0.872 328 P CB 0.287 32.020 31.700 0.056 0.000 0.790 329 L N -0.507 120.741 121.223 0.041 0.000 2.627 329 L HA 0.089 4.429 4.340 -0.000 0.000 0.232 329 L C 1.689 178.560 176.870 0.002 0.000 1.150 329 L CA 0.699 55.550 54.840 0.018 0.000 0.917 329 L CB -0.549 41.515 42.059 0.009 0.000 1.104 329 L HN 0.117 nan 8.230 nan 0.000 0.445 330 S N -2.704 113.002 115.700 0.010 0.000 2.733 330 S HA 0.218 4.688 4.470 -0.000 0.000 0.247 330 S C 1.450 176.023 174.600 -0.044 0.000 1.043 330 S CA -0.401 57.781 58.200 -0.030 0.000 1.066 330 S CB 0.032 63.209 63.200 -0.039 0.000 1.045 330 S HN 0.230 nan 8.310 nan 0.000 0.586 331 I N 2.371 122.957 120.570 0.027 0.000 2.151 331 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 331 I C 2.563 178.707 176.117 0.046 0.000 1.080 331 I CA 2.109 63.468 61.300 0.099 0.000 1.339 331 I CB -0.494 37.612 38.000 0.177 0.000 1.039 331 I HN 0.323 nan 8.210 nan 0.000 0.409 332 D N 1.000 121.414 120.400 0.023 0.000 2.104 332 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 332 D C 1.824 178.113 176.300 -0.019 0.000 0.994 332 D CA 1.495 55.502 54.000 0.011 0.000 0.830 332 D CB -0.036 40.754 40.800 -0.017 0.000 0.959 332 D HN 0.245 nan 8.370 nan 0.000 0.452 333 D N -0.587 119.764 120.400 -0.082 0.000 2.144 333 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 333 D C 1.972 178.207 176.300 -0.108 0.000 0.978 333 D CA 0.636 54.574 54.000 -0.102 0.000 0.833 333 D CB -0.246 40.456 40.800 -0.164 0.000 0.961 333 D HN 0.267 nan 8.370 nan 0.000 0.470 334 M N 0.635 120.088 119.600 -0.245 0.000 2.065 334 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 334 M C 2.108 178.141 176.300 -0.444 0.000 1.069 334 M CA 1.333 56.336 55.300 -0.495 0.000 1.110 334 M CB -0.461 31.571 32.600 -0.947 0.000 1.328 334 M HN -0.057 nan 8.290 nan 0.000 0.405 335 M N -0.369 119.097 119.600 -0.224 0.000 2.108 335 M HA -0.179 4.300 4.480 -0.000 0.000 0.261 335 M C 1.904 178.172 176.300 -0.054 0.000 1.066 335 M CA 1.852 57.174 55.300 0.037 0.000 1.107 335 M CB -0.972 31.751 32.600 0.204 0.000 1.356 335 M HN 0.428 nan 8.290 nan 0.000 0.406 336 F N 0.072 119.926 119.950 -0.160 0.000 2.069 336 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 336 F C 2.221 177.897 175.800 -0.207 0.000 1.113 336 F CA 2.197 60.100 58.000 -0.161 0.000 1.214 336 F CB -0.924 37.983 39.000 -0.155 0.000 0.978 336 F HN 0.290 nan 8.300 nan 0.000 0.474 337 C N 0.574 119.748 119.300 -0.210 0.000 2.429 337 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 337 C C 3.132 177.839 174.990 -0.471 0.000 1.262 337 C CA 0.931 59.751 59.018 -0.330 0.000 1.733 337 C CB -1.889 25.719 27.740 -0.220 0.000 2.010 337 C HN 0.676 nan 8.230 nan 0.000 0.483 338 A N 0.533 123.013 122.820 -0.567 0.000 1.841 338 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 338 A C 2.093 179.236 177.584 -0.736 0.000 1.199 338 A CA 1.924 53.444 52.037 -0.862 0.000 0.621 338 A CB -0.879 17.416 19.000 -1.176 0.000 0.835 338 A HN 0.739 nan 8.150 nan 0.000 0.445 339 Q N -0.857 118.650 119.800 -0.488 0.000 2.181 339 Q HA -0.145 4.195 4.340 -0.000 0.000 0.205 339 Q C 2.161 178.028 176.000 -0.221 0.000 0.980 339 Q CA 1.119 56.760 55.803 -0.270 0.000 0.862 339 Q CB -0.492 28.152 28.738 -0.156 0.000 0.905 339 Q HN 0.727 nan 8.270 nan 0.000 0.429 340 G N 1.316 109.882 108.800 -0.390 0.000 2.446 340 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 340 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 340 G C 1.279 176.063 174.900 -0.193 0.000 1.168 340 G CA 0.641 45.523 45.100 -0.363 0.000 0.771 340 G HN 0.207 nan 8.290 nan 0.000 0.551 341 E N -0.057 120.011 120.200 -0.219 0.000 2.153 341 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 341 E C 2.154 178.812 176.600 0.097 0.000 0.988 341 E CA 0.517 56.851 56.400 -0.110 0.000 0.811 341 E CB -0.274 29.300 29.700 -0.209 0.000 0.746 341 E HN 0.603 nan 8.360 nan 0.000 0.466 342 W N 0.475 121.715 121.300 -0.100 0.000 2.358 342 W HA -0.047 4.613 4.660 -0.000 0.000 0.303 342 W C 2.091 178.633 176.519 0.037 0.000 1.208 342 W CA 0.706 58.061 57.345 0.016 0.000 1.274 342 W CB -0.537 28.971 29.460 0.081 0.000 1.138 342 W HN 0.083 nan 8.180 nan 0.000 0.515 343 M N -0.450 119.293 119.600 0.238 0.000 2.229 343 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 343 M C 1.922 178.286 176.300 0.108 0.000 1.063 343 M CA 1.333 56.739 55.300 0.176 0.000 1.114 343 M CB -1.353 31.308 32.600 0.101 0.000 1.387 343 M HN 0.042 nan 8.290 nan 0.000 0.420 344 R N -0.040 120.494 120.500 0.056 0.000 2.092 344 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 344 R C 2.281 178.609 176.300 0.047 0.000 1.119 344 R CA 0.961 57.074 56.100 0.022 0.000 0.970 344 R CB -0.384 29.911 30.300 -0.008 0.000 0.864 344 R HN 0.340 nan 8.270 nan 0.000 0.440 345 L N -0.071 121.201 121.223 0.082 0.000 2.012 345 L HA -0.294 4.046 4.340 -0.000 0.000 0.210 345 L C 2.502 179.399 176.870 0.045 0.000 1.073 345 L CA 1.345 56.228 54.840 0.072 0.000 0.748 345 L CB -0.423 41.695 42.059 0.098 0.000 0.891 345 L HN 0.361 nan 8.230 nan 0.000 0.431 346 C N -1.463 117.875 119.300 0.062 0.000 2.446 346 C HA -0.070 4.390 4.460 -0.000 0.000 0.279 346 C C 2.749 177.747 174.990 0.013 0.000 1.366 346 C CA 1.185 60.227 59.018 0.042 0.000 1.763 346 C CB -0.975 26.835 27.740 0.117 0.000 1.929 346 C HN 0.699 nan 8.230 nan 0.000 0.509 347 T N -2.390 112.183 114.554 0.033 0.000 2.969 347 T HA 0.069 4.419 4.350 -0.000 0.000 0.250 347 T C 0.844 175.546 174.700 0.005 0.000 1.021 347 T CA 0.943 63.052 62.100 0.015 0.000 1.003 347 T CB -0.141 68.750 68.868 0.039 0.000 1.040 347 T HN 0.451 nan 8.240 nan 0.000 0.492 348 S N 0.763 116.466 115.700 0.004 0.000 2.828 348 S HA 0.327 4.797 4.470 -0.000 0.000 0.240 348 S C -0.151 174.451 174.600 0.002 0.000 0.912 348 S CA -0.620 57.578 58.200 -0.003 0.000 1.100 348 S CB -0.066 63.123 63.200 -0.018 0.000 1.271 348 S HN 0.264 nan 8.310 nan 0.000 0.476 349 T N 3.337 117.897 114.554 0.010 0.000 2.918 349 T HA 0.402 4.752 4.350 -0.000 0.000 0.302 349 T C 0.237 174.945 174.700 0.012 0.000 1.045 349 T CA 0.323 62.432 62.100 0.015 0.000 1.114 349 T CB 0.871 69.752 68.868 0.022 0.000 0.965 349 T HN 0.451 nan 8.240 nan 0.000 0.540 350 T N 2.810 117.372 114.554 0.014 0.000 2.925 350 T HA 0.233 4.583 4.350 -0.000 0.000 0.285 350 T C 1.289 175.999 174.700 0.017 0.000 1.021 350 T CA -0.918 61.189 62.100 0.012 0.000 1.042 350 T CB 1.578 70.452 68.868 0.010 0.000 1.037 350 T HN 0.493 nan 8.240 nan 0.000 0.481 351 E N 1.337 121.546 120.200 0.016 0.000 2.110 351 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 351 E C 2.298 178.911 176.600 0.021 0.000 0.988 351 E CA 1.117 57.529 56.400 0.019 0.000 0.804 351 E CB -0.294 29.417 29.700 0.017 0.000 0.745 351 E HN 0.597 nan 8.360 nan 0.000 0.458 352 S N 1.383 117.094 115.700 0.018 0.000 2.359 352 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 352 S C 1.892 176.505 174.600 0.023 0.000 1.035 352 S CA 1.209 59.420 58.200 0.019 0.000 1.018 352 S CB -0.259 62.949 63.200 0.014 0.000 0.876 352 S HN 0.343 nan 8.310 nan 0.000 0.448 353 E N 0.870 121.084 120.200 0.024 0.000 2.031 353 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 353 E C 2.449 179.072 176.600 0.038 0.000 0.994 353 E CA 1.565 57.982 56.400 0.029 0.000 0.800 353 E CB -0.511 29.205 29.700 0.027 0.000 0.752 353 E HN 0.564 nan 8.360 nan 0.000 0.447 354 V N 0.211 120.148 119.914 0.038 0.000 2.427 354 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 354 V C 2.294 178.417 176.094 0.047 0.000 1.051 354 V CA 1.602 63.929 62.300 0.046 0.000 1.048 354 V CB -0.543 31.305 31.823 0.041 0.000 0.666 354 V HN 0.084 nan 8.190 nan 0.000 0.456 355 K N 0.869 121.292 120.400 0.039 0.000 2.044 355 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 355 K C 2.519 179.143 176.600 0.041 0.000 1.049 355 K CA 2.370 58.679 56.287 0.037 0.000 0.927 355 K CB -0.366 32.151 32.500 0.029 0.000 0.713 355 K HN 0.569 nan 8.250 nan 0.000 0.443 356 R N -0.045 120.480 120.500 0.042 0.000 2.075 356 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 356 R C 2.226 178.572 176.300 0.076 0.000 1.126 356 R CA 1.204 57.334 56.100 0.049 0.000 0.963 356 R CB -0.254 30.070 30.300 0.041 0.000 0.858 356 R HN 0.231 nan 8.270 nan 0.000 0.435 357 A N 1.425 124.289 122.820 0.074 0.000 1.908 357 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 357 A C 1.986 179.644 177.584 0.124 0.000 1.181 357 A CA 1.785 53.883 52.037 0.101 0.000 0.627 357 A CB -0.324 18.727 19.000 0.086 0.000 0.818 357 A HN 0.355 nan 8.150 nan 0.000 0.445 358 K N -0.219 120.233 120.400 0.087 0.000 2.026 358 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 358 K C 1.830 178.465 176.600 0.058 0.000 1.048 358 K CA 1.425 57.756 56.287 0.073 0.000 0.929 358 K CB -0.255 32.282 32.500 0.061 0.000 0.713 358 K HN 0.417 nan 8.250 nan 0.000 0.439 359 N N 0.554 119.282 118.700 0.048 0.000 2.149 359 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 359 N C 1.823 177.344 175.510 0.018 0.000 1.019 359 N CA 1.400 54.454 53.050 0.007 0.000 0.857 359 N CB -0.428 38.060 38.487 0.001 0.000 0.997 359 N HN 0.346 nan 8.380 nan 0.000 0.426 360 H N 0.459 119.527 119.070 -0.003 0.000 2.353 360 H HA -0.002 4.554 4.556 -0.000 0.000 0.300 360 H C 2.012 177.341 175.328 0.002 0.000 1.090 360 H CA 1.089 57.140 56.048 0.005 0.000 1.327 360 H CB -0.274 29.507 29.762 0.030 0.000 1.383 360 H HN 0.063 nan 8.280 nan 0.000 0.508 361 L N 0.630 121.880 121.223 0.044 0.000 2.056 361 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 361 L C 2.281 179.107 176.870 -0.074 0.000 1.078 361 L CA 1.502 56.331 54.840 -0.018 0.000 0.749 361 L CB -0.514 41.568 42.059 0.039 0.000 0.901 361 L HN 0.192 nan 8.230 nan 0.000 0.433 362 R N -0.946 119.531 120.500 -0.037 0.000 2.080 362 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 362 R C 2.228 178.497 176.300 -0.052 0.000 1.137 362 R CA 1.727 57.820 56.100 -0.011 0.000 0.943 362 R CB -0.798 29.487 30.300 -0.026 0.000 0.846 362 R HN 0.387 nan 8.270 nan 0.000 0.431 363 S N 0.914 116.542 115.700 -0.120 0.000 2.383 363 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 363 S C 2.110 176.628 174.600 -0.136 0.000 1.030 363 S CA 1.334 59.456 58.200 -0.131 0.000 1.002 363 S CB -0.258 62.841 63.200 -0.168 0.000 0.829 363 S HN 0.500 nan 8.310 nan 0.000 0.467 364 A N 2.529 125.227 122.820 -0.205 0.000 1.877 364 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 364 A C 2.259 179.786 177.584 -0.096 0.000 1.186 364 A CA 1.889 53.820 52.037 -0.177 0.000 0.620 364 A CB -0.800 18.071 19.000 -0.215 0.000 0.822 364 A HN 0.692 nan 8.150 nan 0.000 0.443 365 M N -1.237 118.313 119.600 -0.082 0.000 2.175 365 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 365 M C 1.807 178.125 176.300 0.029 0.000 1.063 365 M CA 2.016 57.294 55.300 -0.037 0.000 1.119 365 M CB -0.806 31.771 32.600 -0.039 0.000 1.377 365 M HN 0.022 nan 8.290 nan 0.000 0.415 366 V N 1.885 121.821 119.914 0.037 0.000 2.261 366 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 366 V C 3.039 179.146 176.094 0.023 0.000 1.047 366 V CA 2.140 64.474 62.300 0.057 0.000 1.015 366 V CB -1.344 30.523 31.823 0.074 0.000 0.642 366 V HN 0.685 nan 8.190 nan 0.000 0.446 367 A N -0.912 121.904 122.820 -0.006 0.000 2.131 367 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 367 A C 2.046 179.628 177.584 -0.003 0.000 1.158 367 A CA 1.539 53.569 52.037 -0.013 0.000 0.665 367 A CB -0.466 18.512 19.000 -0.036 0.000 0.795 367 A HN 0.693 nan 8.150 nan 0.000 0.460 368 Q N -0.974 118.827 119.800 0.002 0.000 2.444 368 Q HA 0.194 4.534 4.340 -0.000 0.000 0.206 368 Q C -0.040 175.965 176.000 0.008 0.000 0.948 368 Q CA 0.324 56.133 55.803 0.010 0.000 0.946 368 Q CB 0.074 28.823 28.738 0.018 0.000 1.027 368 Q HN 0.655 nan 8.270 nan 0.000 0.513 369 L N 0.548 121.777 121.223 0.009 0.000 3.083 369 L HA 0.310 4.650 4.340 -0.000 0.000 0.286 369 L C -0.479 176.393 176.870 0.002 0.000 1.307 369 L CA -0.333 54.506 54.840 -0.002 0.000 0.897 369 L CB 0.513 42.573 42.059 0.001 0.000 1.306 369 L HN -0.105 nan 8.230 nan 0.000 0.569 370 D N 1.625 122.029 120.400 0.006 0.000 2.540 370 D HA 0.551 5.191 4.640 -0.000 0.000 0.251 370 D C 0.387 176.695 176.300 0.013 0.000 1.159 370 D CA 0.292 54.297 54.000 0.009 0.000 0.974 370 D CB 0.597 41.402 40.800 0.009 0.000 0.996 370 D HN 0.432 nan 8.370 nan 0.000 0.512 371 G N 0.484 109.291 108.800 0.011 0.000 2.347 371 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.477 371 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.477 371 G C 0.832 175.740 174.900 0.013 0.000 1.349 371 G CA -0.082 45.029 45.100 0.018 0.000 1.000 371 G HN 0.219 nan 8.290 nan 0.000 0.605 372 T N -2.821 111.748 114.554 0.024 0.000 2.809 372 T HA -0.009 4.340 4.350 -0.000 0.000 0.260 372 T C 2.352 177.067 174.700 0.025 0.000 1.039 372 T CA 2.699 64.813 62.100 0.023 0.000 1.141 372 T CB -0.715 68.175 68.868 0.037 0.000 0.869 372 T HN 0.750 nan 8.240 nan 0.000 0.437 373 T N 3.389 117.972 114.554 0.048 0.000 2.652 373 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 373 T C -0.306 174.380 174.700 -0.024 0.000 1.039 373 T CA 1.726 63.841 62.100 0.025 0.000 1.153 373 T CB -1.375 67.535 68.868 0.071 0.000 0.863 373 T HN 0.469 nan 8.240 nan 0.000 0.428 374 P HA 0.043 nan 4.420 nan 0.000 0.218 374 P C 1.567 178.828 177.300 -0.064 0.000 1.149 374 P CA 0.729 63.817 63.100 -0.021 0.000 0.817 374 P CB -0.203 31.498 31.700 0.002 0.000 0.785 375 V N -0.101 119.773 119.914 -0.066 0.000 2.453 375 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 375 V C 2.969 178.954 176.094 -0.182 0.000 1.048 375 V CA 1.686 63.922 62.300 -0.106 0.000 1.049 375 V CB -1.472 30.307 31.823 -0.072 0.000 0.672 375 V HN 0.217 nan 8.190 nan 0.000 0.457 376 C N 0.364 119.568 119.300 -0.161 0.000 2.446 376 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 376 C C 2.900 177.484 174.990 -0.677 0.000 1.275 376 C CA 1.654 60.509 59.018 -0.272 0.000 1.727 376 C CB -0.551 27.176 27.740 -0.021 0.000 2.010 376 C HN 0.713 nan 8.230 nan 0.000 0.486 377 E N 0.454 120.408 120.200 -0.410 0.000 2.085 377 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 377 E C 2.044 178.348 176.600 -0.494 0.000 0.994 377 E CA 2.515 58.689 56.400 -0.376 0.000 0.801 377 E CB -0.542 29.176 29.700 0.029 0.000 0.743 377 E HN 0.615 nan 8.360 nan 0.000 0.453 378 T N 0.611 114.961 114.554 -0.341 0.000 2.708 378 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 378 T C 1.914 176.331 174.700 -0.471 0.000 1.037 378 T CA 1.568 63.471 62.100 -0.329 0.000 1.146 378 T CB -0.297 68.384 68.868 -0.312 0.000 0.865 378 T HN 0.160 nan 8.240 nan 0.000 0.435 379 I N 1.047 121.324 120.570 -0.488 0.000 2.142 379 I HA -0.133 4.037 4.170 -0.000 0.000 0.240 379 I C 2.947 178.812 176.117 -0.421 0.000 1.078 379 I CA 1.425 62.484 61.300 -0.402 0.000 1.343 379 I CB -0.896 36.914 38.000 -0.316 0.000 1.046 379 I HN 0.328 nan 8.210 nan 0.000 0.405 380 G N 0.072 108.394 108.800 -0.796 0.000 2.469 380 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 380 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 380 G C 1.754 176.401 174.900 -0.421 0.000 1.150 380 G CA 1.235 45.859 45.100 -0.794 0.000 0.763 380 G HN 0.378 nan 8.290 nan 0.000 0.561 381 S N -0.367 115.067 115.700 -0.444 0.000 2.338 381 S HA -0.052 4.418 4.470 -0.000 0.000 0.218 381 S C 1.930 176.444 174.600 -0.144 0.000 1.032 381 S CA 0.914 58.996 58.200 -0.197 0.000 0.999 381 S CB -0.579 62.544 63.200 -0.128 0.000 0.905 381 S HN 0.584 nan 8.310 nan 0.000 0.439 382 H N 1.055 120.013 119.070 -0.187 0.000 2.289 382 H HA -0.107 4.449 4.556 -0.000 0.000 0.294 382 H C 2.178 177.482 175.328 -0.040 0.000 1.095 382 H CA 1.553 57.602 56.048 0.000 0.000 1.256 382 H CB -0.319 29.491 29.762 0.081 0.000 1.359 382 H HN 0.227 nan 8.280 nan 0.000 0.487 383 L N 0.008 121.267 121.223 0.060 0.000 1.970 383 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 383 L C 2.642 179.506 176.870 -0.010 0.000 1.071 383 L CA 0.724 55.578 54.840 0.022 0.000 0.751 383 L CB -0.366 41.692 42.059 -0.003 0.000 0.889 383 L HN 0.198 nan 8.230 nan 0.000 0.432 384 L N -0.026 121.175 121.223 -0.037 0.000 2.127 384 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 384 L C 2.127 178.933 176.870 -0.108 0.000 1.089 384 L CA 1.806 56.627 54.840 -0.031 0.000 0.757 384 L CB -0.709 41.358 42.059 0.013 0.000 0.899 384 L HN 0.335 nan 8.230 nan 0.000 0.434 385 N N -2.619 115.905 118.700 -0.293 0.000 2.482 385 N HA -0.023 4.717 4.740 -0.000 0.000 0.179 385 N C 1.285 176.557 175.510 -0.396 0.000 1.039 385 N CA 0.800 53.537 53.050 -0.522 0.000 0.884 385 N CB 0.055 37.745 38.487 -1.328 0.000 1.113 385 N HN 0.339 nan 8.380 nan 0.000 0.440 386 Y N -0.052 120.175 120.300 -0.122 0.000 2.442 386 Y HA 0.357 4.907 4.550 -0.000 0.000 0.250 386 Y C 1.537 177.415 175.900 -0.037 0.000 1.113 386 Y CA -0.029 58.030 58.100 -0.068 0.000 1.273 386 Y CB 0.133 38.507 38.460 -0.143 0.000 1.138 386 Y HN 0.059 nan 8.280 nan 0.000 0.522 387 G N 1.458 110.314 108.800 0.092 0.000 2.160 387 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 387 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 387 G C 0.208 175.140 174.900 0.054 0.000 1.008 387 G CA 0.532 45.669 45.100 0.062 0.000 0.724 387 G HN 0.560 nan 8.290 nan 0.000 0.514 388 R N -3.110 117.433 120.500 0.072 0.000 2.979 388 R HA 0.613 4.952 4.340 -0.000 0.000 0.286 388 R C -1.108 175.233 176.300 0.069 0.000 0.972 388 R CA -1.064 55.057 56.100 0.036 0.000 0.828 388 R CB 0.358 30.656 30.300 -0.004 0.000 1.368 388 R HN 0.341 nan 8.270 nan 0.000 0.511 389 R N 1.224 121.734 120.500 0.016 0.000 2.474 389 R HA 0.576 4.916 4.340 -0.000 0.000 0.295 389 R C -0.907 175.368 176.300 -0.041 0.000 0.980 389 R CA -0.566 55.567 56.100 0.055 0.000 0.934 389 R CB 1.017 31.283 30.300 -0.056 0.000 1.101 389 R HN 0.637 nan 8.270 nan 0.000 0.469 390 I N 4.030 124.615 120.570 0.026 0.000 2.354 390 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 390 I C 0.072 175.975 176.117 -0.356 0.000 1.007 390 I CA -0.772 60.260 61.300 -0.446 0.000 1.167 390 I CB 1.686 38.969 38.000 -1.195 0.000 1.320 390 I HN 0.803 nan 8.210 nan 0.000 0.458 391 S N 6.038 121.562 115.700 -0.292 0.000 2.585 391 S HA 0.303 4.773 4.470 -0.000 0.000 0.273 391 S C 1.158 175.680 174.600 -0.129 0.000 1.339 391 S CA -0.650 57.447 58.200 -0.172 0.000 1.028 391 S CB 1.207 64.327 63.200 -0.133 0.000 0.906 391 S HN 0.611 nan 8.310 nan 0.000 0.528 392 L N 0.879 122.107 121.223 0.008 0.000 2.127 392 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 392 L C 2.888 179.800 176.870 0.071 0.000 1.089 392 L CA 2.046 56.968 54.840 0.136 0.000 0.757 392 L CB -0.693 41.432 42.059 0.110 0.000 0.899 392 L HN 0.956 nan 8.230 nan 0.000 0.434 393 E N 0.357 120.537 120.200 -0.032 0.000 2.118 393 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 393 E C 2.057 178.639 176.600 -0.029 0.000 0.992 393 E CA 1.487 57.851 56.400 -0.060 0.000 0.804 393 E CB 0.064 29.711 29.700 -0.087 0.000 0.741 393 E HN 0.500 nan 8.360 nan 0.000 0.458 394 E N -0.278 119.880 120.200 -0.069 0.000 2.021 394 E HA -0.149 4.201 4.350 -0.000 0.000 0.189 394 E C 1.818 178.452 176.600 0.056 0.000 0.980 394 E CA 0.862 57.209 56.400 -0.089 0.000 0.803 394 E CB -0.336 29.209 29.700 -0.258 0.000 0.766 394 E HN 0.437 nan 8.360 nan 0.000 0.449 395 W N 1.749 123.043 121.300 -0.010 0.000 2.290 395 W HA -0.281 4.379 4.660 -0.000 0.000 0.323 395 W C 2.340 178.880 176.519 0.035 0.000 1.260 395 W CA 0.826 58.178 57.345 0.012 0.000 1.266 395 W CB -0.262 29.218 29.460 0.033 0.000 1.149 395 W HN 0.295 nan 8.180 nan 0.000 0.482 396 D N -0.291 120.292 120.400 0.305 0.000 2.149 396 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 396 D C 2.166 178.563 176.300 0.162 0.000 0.990 396 D CA 1.752 55.883 54.000 0.218 0.000 0.839 396 D CB -0.258 40.649 40.800 0.178 0.000 0.948 396 D HN 0.091 nan 8.370 nan 0.000 0.460 397 S N -0.025 115.750 115.700 0.124 0.000 2.359 397 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 397 S C 2.097 176.761 174.600 0.107 0.000 1.035 397 S CA 1.112 59.365 58.200 0.087 0.000 1.018 397 S CB -0.043 63.185 63.200 0.048 0.000 0.876 397 S HN 0.263 nan 8.310 nan 0.000 0.448 398 R N 0.328 120.917 120.500 0.148 0.000 2.070 398 R HA 0.052 4.392 4.340 -0.000 0.000 0.233 398 R C 2.393 178.778 176.300 0.142 0.000 1.137 398 R CA 1.820 58.017 56.100 0.161 0.000 0.945 398 R CB -0.577 29.878 30.300 0.258 0.000 0.845 398 R HN 0.460 nan 8.270 nan 0.000 0.430 399 I N 0.658 121.323 120.570 0.158 0.000 2.335 399 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 399 I C 1.804 177.980 176.117 0.098 0.000 1.129 399 I CA 1.245 62.613 61.300 0.115 0.000 1.402 399 I CB -0.194 37.873 38.000 0.110 0.000 1.069 399 I HN 0.118 nan 8.210 nan 0.000 0.424 400 S N 0.531 116.293 115.700 0.103 0.000 2.489 400 S HA 0.060 4.530 4.470 -0.000 0.000 0.228 400 S C 2.002 176.644 174.600 0.069 0.000 0.995 400 S CA 0.847 59.098 58.200 0.086 0.000 0.934 400 S CB 0.004 63.259 63.200 0.091 0.000 0.771 400 S HN 0.520 nan 8.310 nan 0.000 0.522 401 A N 1.044 123.906 122.820 0.070 0.000 2.208 401 A HA 0.275 4.595 4.320 -0.000 0.000 0.209 401 A C 0.842 178.457 177.584 0.052 0.000 1.161 401 A CA 0.073 52.144 52.037 0.057 0.000 0.782 401 A CB -0.128 18.907 19.000 0.057 0.000 0.816 401 A HN 0.266 nan 8.150 nan 0.000 0.477 402 V N 2.575 122.523 119.914 0.057 0.000 2.614 402 V HA 0.329 4.448 4.120 -0.000 0.000 0.291 402 V C -0.193 175.926 176.094 0.043 0.000 1.049 402 V CA -0.253 62.077 62.300 0.049 0.000 1.038 402 V CB 0.954 32.810 31.823 0.055 0.000 0.980 402 V HN 0.678 nan 8.190 nan 0.000 0.481 403 D N 3.347 123.768 120.400 0.035 0.000 2.610 403 D HA 0.521 5.161 4.640 -0.000 0.000 0.271 403 D C 0.676 176.992 176.300 0.025 0.000 1.174 403 D CA -0.073 53.945 54.000 0.030 0.000 0.949 403 D CB 1.861 42.677 40.800 0.026 0.000 1.430 403 D HN 0.448 nan 8.370 nan 0.000 0.467 404 A N 0.706 123.539 122.820 0.022 0.000 1.859 404 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 404 A C 2.074 179.666 177.584 0.013 0.000 1.209 404 A CA 2.259 54.307 52.037 0.019 0.000 0.639 404 A CB -0.791 18.218 19.000 0.015 0.000 0.835 404 A HN 0.589 nan 8.150 nan 0.000 0.450 405 R N -0.754 119.753 120.500 0.011 0.000 2.153 405 R HA -0.211 4.129 4.340 -0.000 0.000 0.252 405 R C 2.159 178.462 176.300 0.004 0.000 1.158 405 R CA 2.344 58.447 56.100 0.005 0.000 0.975 405 R CB -0.641 29.662 30.300 0.006 0.000 0.871 405 R HN 0.709 nan 8.270 nan 0.000 0.450 406 M N -0.385 119.222 119.600 0.011 0.000 2.200 406 M HA -0.116 4.364 4.480 -0.000 0.000 0.265 406 M C 2.017 178.321 176.300 0.006 0.000 1.066 406 M CA 1.112 56.419 55.300 0.011 0.000 1.127 406 M CB 0.189 32.801 32.600 0.020 0.000 1.379 406 M HN -0.075 nan 8.290 nan 0.000 0.420 407 V N 0.593 120.513 119.914 0.009 0.000 2.343 407 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 407 V C 2.309 178.398 176.094 -0.008 0.000 1.051 407 V CA 1.857 64.159 62.300 0.004 0.000 1.036 407 V CB -0.903 30.932 31.823 0.020 0.000 0.654 407 V HN 0.476 nan 8.190 nan 0.000 0.451 408 R N 0.047 120.544 120.500 -0.004 0.000 2.073 408 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 408 R C 2.122 178.407 176.300 -0.025 0.000 1.134 408 R CA 1.812 57.905 56.100 -0.012 0.000 0.952 408 R CB -0.505 29.788 30.300 -0.011 0.000 0.850 408 R HN 0.551 nan 8.270 nan 0.000 0.433 409 D N 0.179 120.566 120.400 -0.021 0.000 2.097 409 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 409 D C 2.054 178.341 176.300 -0.021 0.000 0.984 409 D CA 0.989 54.973 54.000 -0.027 0.000 0.826 409 D CB -0.314 40.475 40.800 -0.018 0.000 0.973 409 D HN 0.000 nan 8.370 nan 0.000 0.460 410 V N 0.887 120.797 119.914 -0.006 0.000 2.261 410 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 410 V C 2.779 178.881 176.094 0.015 0.000 1.047 410 V CA 1.361 63.677 62.300 0.027 0.000 1.015 410 V CB -0.582 31.238 31.823 -0.006 0.000 0.642 410 V HN 0.279 nan 8.190 nan 0.000 0.446 411 C N -0.267 118.990 119.300 -0.071 0.000 2.413 411 C HA -0.154 4.306 4.460 -0.000 0.000 0.276 411 C C 3.163 178.104 174.990 -0.082 0.000 1.236 411 C CA 1.506 60.439 59.018 -0.142 0.000 1.735 411 C CB -1.115 26.554 27.740 -0.117 0.000 2.031 411 C HN 0.620 nan 8.230 nan 0.000 0.474 412 S N 0.248 115.926 115.700 -0.036 0.000 2.370 412 S HA -0.244 4.226 4.470 -0.000 0.000 0.226 412 S C 1.891 176.477 174.600 -0.023 0.000 1.033 412 S CA 1.618 59.818 58.200 -0.000 0.000 1.011 412 S CB -0.389 62.772 63.200 -0.066 0.000 0.852 412 S HN 0.704 nan 8.310 nan 0.000 0.457 413 K N -0.402 119.948 120.400 -0.084 0.000 2.209 413 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 413 K C 1.098 177.447 176.600 -0.417 0.000 1.048 413 K CA 1.271 57.425 56.287 -0.221 0.000 0.940 413 K CB -0.065 32.289 32.500 -0.244 0.000 0.729 413 K HN 0.446 nan 8.250 nan 0.000 0.451 414 Y N -1.013 119.157 120.300 -0.217 0.000 2.483 414 Y HA 0.216 4.766 4.550 -0.000 0.000 0.258 414 Y C 1.545 177.271 175.900 -0.290 0.000 1.083 414 Y CA -0.144 57.784 58.100 -0.287 0.000 1.283 414 Y CB 0.598 38.783 38.460 -0.458 0.000 1.178 414 Y HN -0.067 nan 8.280 nan 0.000 0.515 415 I N -2.427 118.053 120.570 -0.149 0.000 3.136 415 I HA -0.047 4.123 4.170 -0.000 0.000 0.262 415 I C 0.190 176.297 176.117 -0.016 0.000 1.132 415 I CA -0.162 61.028 61.300 -0.185 0.000 1.450 415 I CB -0.192 37.579 38.000 -0.382 0.000 1.315 415 I HN -0.144 nan 8.210 nan 0.000 0.460 416 Y N 4.121 124.393 120.300 -0.047 0.000 2.865 416 Y HA -0.187 4.363 4.550 -0.000 0.000 0.338 416 Y C 0.677 176.613 175.900 0.061 0.000 1.269 416 Y CA 0.561 58.685 58.100 0.039 0.000 1.585 416 Y CB -0.258 38.221 38.460 0.032 0.000 1.224 416 Y HN 0.241 nan 8.280 nan 0.000 0.554 417 D N 2.930 123.092 120.400 -0.397 0.000 2.689 417 D HA -0.226 4.414 4.640 -0.000 0.000 0.237 417 D C -1.052 175.242 176.300 -0.009 0.000 1.148 417 D CA 0.776 54.679 54.000 -0.161 0.000 0.656 417 D CB -0.516 40.189 40.800 -0.159 0.000 1.050 417 D HN 0.409 nan 8.370 nan 0.000 0.426 418 K N -0.171 120.244 120.400 0.024 0.000 2.208 418 K HA 0.511 4.831 4.320 -0.000 0.000 0.247 418 K C -0.179 176.498 176.600 0.128 0.000 0.953 418 K CA -0.644 55.683 56.287 0.066 0.000 0.837 418 K CB 1.692 34.217 32.500 0.041 0.000 1.131 418 K HN 0.124 nan 8.250 nan 0.000 0.431 419 C N 4.082 123.492 119.300 0.183 0.000 2.373 419 C HA 0.314 4.774 4.460 -0.000 0.000 0.354 419 C C -1.493 173.701 174.990 0.340 0.000 1.249 419 C CA -1.153 58.023 59.018 0.264 0.000 1.784 419 C CB -0.250 27.648 27.740 0.263 0.000 2.408 419 C HN 0.536 nan 8.230 nan 0.000 0.542 420 P HA 0.473 nan 4.420 nan 0.000 0.279 420 P C -1.002 176.486 177.300 0.314 0.000 1.276 420 P CA -0.229 63.066 63.100 0.325 0.000 0.801 420 P CB 1.094 32.920 31.700 0.211 0.000 1.127 421 A N 0.818 123.785 122.820 0.244 0.000 2.318 421 A HA 0.614 4.934 4.320 -0.000 0.000 0.324 421 A C -1.020 176.594 177.584 0.050 0.000 1.170 421 A CA -0.556 51.520 52.037 0.065 0.000 0.810 421 A CB 0.230 19.204 19.000 -0.044 0.000 1.198 421 A HN 0.516 nan 8.150 nan 0.000 0.484 422 L N 2.354 123.602 121.223 0.042 0.000 2.385 422 L HA 0.862 5.202 4.340 -0.000 0.000 0.273 422 L C -0.250 176.602 176.870 -0.030 0.000 0.990 422 L CA -0.147 54.691 54.840 -0.005 0.000 0.821 422 L CB 1.832 43.924 42.059 0.054 0.000 1.279 422 L HN 0.933 nan 8.230 nan 0.000 0.412 423 A N 4.193 126.978 122.820 -0.058 0.000 2.359 423 A HA 0.964 5.284 4.320 -0.000 0.000 0.303 423 A C -1.140 176.429 177.584 -0.025 0.000 1.066 423 A CA 0.017 52.041 52.037 -0.021 0.000 0.730 423 A CB 1.400 20.411 19.000 0.019 0.000 1.211 423 A HN 1.205 nan 8.150 nan 0.000 0.439 424 A N 1.927 124.749 122.820 0.004 0.000 2.374 424 A HA 0.753 5.073 4.320 -0.000 0.000 0.305 424 A C -1.087 176.535 177.584 0.064 0.000 1.053 424 A CA -0.467 51.577 52.037 0.011 0.000 0.726 424 A CB 1.415 20.410 19.000 -0.008 0.000 1.229 424 A HN 1.334 nan 8.150 nan 0.000 0.431 425 V N 1.564 121.535 119.914 0.096 0.000 2.789 425 V HA 0.907 5.027 4.120 -0.000 0.000 0.311 425 V C 0.713 176.867 176.094 0.101 0.000 1.073 425 V CA 0.535 62.903 62.300 0.113 0.000 0.921 425 V CB 1.125 33.023 31.823 0.124 0.000 1.009 425 V HN 2.406 nan 8.190 nan 0.000 0.426 426 G N 5.060 113.908 108.800 0.080 0.000 2.428 426 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.202 426 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.202 426 G C -2.916 172.022 174.900 0.063 0.000 1.247 426 G CA -0.277 44.868 45.100 0.076 0.000 1.020 426 G HN 0.651 nan 8.290 nan 0.000 0.529 427 P HA 0.285 nan 4.420 nan 0.000 0.237 427 P C 1.032 178.367 177.300 0.059 0.000 1.788 427 P CA 0.078 63.210 63.100 0.053 0.000 1.061 427 P CB -0.948 30.784 31.700 0.053 0.000 1.967 428 I N -1.677 118.925 120.570 0.053 0.000 3.861 428 I HA 0.173 4.343 4.170 -0.000 0.000 0.329 428 I C 1.588 177.730 176.117 0.043 0.000 1.321 428 I CA -0.196 61.136 61.300 0.054 0.000 1.126 428 I CB -0.435 37.593 38.000 0.047 0.000 1.018 428 I HN 0.054 nan 8.210 nan 0.000 0.407 429 E N 1.897 122.118 120.200 0.035 0.000 2.171 429 E HA -0.318 4.032 4.350 -0.000 0.000 0.197 429 E C 2.095 178.711 176.600 0.026 0.000 0.997 429 E CA 1.525 57.941 56.400 0.026 0.000 0.810 429 E CB -0.025 29.688 29.700 0.021 0.000 0.738 429 E HN 0.738 nan 8.360 nan 0.000 0.467 430 Q N 0.177 119.997 119.800 0.032 0.000 2.378 430 Q HA -0.032 4.308 4.340 -0.000 0.000 0.205 430 Q C 0.320 176.341 176.000 0.035 0.000 0.954 430 Q CA -0.005 55.814 55.803 0.027 0.000 0.901 430 Q CB 0.170 28.923 28.738 0.024 0.000 0.981 430 Q HN 0.212 nan 8.270 nan 0.000 0.483 431 L N 0.989 122.243 121.223 0.051 0.000 2.326 431 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 431 L C -1.272 175.623 176.870 0.041 0.000 1.092 431 L CA -0.051 54.825 54.840 0.061 0.000 0.810 431 L CB 1.156 43.262 42.059 0.079 0.000 1.153 431 L HN 0.068 nan 8.230 nan 0.000 0.439 432 L N 3.735 124.978 121.223 0.034 0.000 2.794 432 L HA 0.419 4.759 4.340 -0.000 0.000 0.261 432 L C -1.705 175.180 176.870 0.026 0.000 0.989 432 L CA -0.333 54.524 54.840 0.029 0.000 0.900 432 L CB 1.784 43.856 42.059 0.023 0.000 1.473 432 L HN 0.876 nan 8.230 nan 0.000 0.414 433 D N 1.316 121.740 120.400 0.039 0.000 6.041 433 D HA -0.280 4.360 4.640 -0.000 0.000 0.239 433 D C 0.028 176.360 176.300 0.053 0.000 1.667 433 D CA 1.154 55.187 54.000 0.055 0.000 1.478 433 D CB -0.285 40.538 40.800 0.038 0.000 0.683 433 D HN 0.562 nan 8.370 nan 0.000 0.375 434 Y N 4.717 125.017 120.300 -0.001 0.000 2.114 434 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 434 Y C 2.050 177.957 175.900 0.012 0.000 1.165 434 Y CA 2.385 60.485 58.100 -0.001 0.000 1.148 434 Y CB -0.199 38.255 38.460 -0.010 0.000 0.972 434 Y HN 0.536 nan 8.280 nan 0.000 0.504 435 N N 0.164 118.931 118.700 0.111 0.000 2.036 435 N HA -0.210 4.530 4.740 -0.000 0.000 0.195 435 N C 1.873 177.365 175.510 -0.029 0.000 1.037 435 N CA 1.589 54.676 53.050 0.061 0.000 0.855 435 N CB -0.302 38.237 38.487 0.086 0.000 1.033 435 N HN 0.323 nan 8.380 nan 0.000 0.423 436 R N 1.003 121.487 120.500 -0.027 0.000 2.081 436 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 436 R C 2.374 178.619 176.300 -0.093 0.000 1.131 436 R CA 0.574 56.651 56.100 -0.038 0.000 0.960 436 R CB -0.962 29.332 30.300 -0.011 0.000 0.856 436 R HN 0.395 nan 8.270 nan 0.000 0.436 437 I N 0.343 120.823 120.570 -0.149 0.000 2.226 437 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 437 I C 2.562 178.530 176.117 -0.248 0.000 1.100 437 I CA 1.115 62.295 61.300 -0.200 0.000 1.374 437 I CB -0.267 37.568 38.000 -0.275 0.000 1.057 437 I HN 0.027 nan 8.210 nan 0.000 0.413 438 R N 1.189 121.487 120.500 -0.336 0.000 2.127 438 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 438 R C 2.127 178.358 176.300 -0.114 0.000 1.134 438 R CA 1.730 57.699 56.100 -0.218 0.000 0.975 438 R CB -0.509 29.709 30.300 -0.136 0.000 0.865 438 R HN 0.197 nan 8.270 nan 0.000 0.447 439 S N -0.983 114.617 115.700 -0.166 0.000 2.461 439 S HA 0.048 4.518 4.470 -0.000 0.000 0.228 439 S C 1.575 175.812 174.600 -0.605 0.000 1.005 439 S CA 0.837 58.797 58.200 -0.400 0.000 0.942 439 S CB 0.144 63.226 63.200 -0.196 0.000 0.776 439 S HN 0.631 nan 8.310 nan 0.000 0.514 440 G N 0.774 109.386 108.800 -0.313 0.000 2.848 440 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.208 440 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.208 440 G C 0.899 175.679 174.900 -0.199 0.000 1.152 440 G CA 0.126 45.078 45.100 -0.246 0.000 0.789 440 G HN 0.343 nan 8.290 nan 0.000 0.531 441 M N 0.234 119.693 119.600 -0.235 0.000 2.505 441 M HA 0.303 4.783 4.480 -0.000 0.000 0.230 441 M C -0.405 175.768 176.300 -0.213 0.000 1.153 441 M CA -0.163 55.079 55.300 -0.096 0.000 0.997 441 M CB -1.006 31.596 32.600 0.004 0.000 1.606 441 M HN 0.452 nan 8.290 nan 0.000 0.481 442 Y N -4.354 115.827 120.300 -0.199 0.000 2.624 442 Y HA 0.481 5.031 4.550 -0.000 0.000 0.334 442 Y C -0.902 175.136 175.900 0.230 0.000 1.155 442 Y CA -2.349 55.562 58.100 -0.315 0.000 1.046 442 Y CB 0.180 38.329 38.460 -0.518 0.000 1.316 442 Y HN 0.261 nan 8.280 nan 0.000 0.457 443 W N 2.927 124.484 121.300 0.427 0.000 3.126 443 W HA -0.088 4.572 4.660 -0.000 0.000 0.450 443 W C 0.458 177.071 176.519 0.156 0.000 1.830 443 W CA 0.083 57.615 57.345 0.311 0.000 0.470 443 W CB -0.787 28.824 29.460 0.251 0.000 2.862 443 W HN 1.161 nan 8.180 nan 0.000 0.440 444 I N 0.000 120.685 120.570 0.191 0.000 2.984 444 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 444 I CA 0.000 61.256 61.300 -0.073 0.000 1.566 444 I CB 0.000 37.891 38.000 -0.182 0.000 1.214 444 I HN 0.000 nan 8.210 nan 0.000 0.494