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 3bip_1_B DATA FIRST_RESID 5 DATA SEQUENCE NIDFDVFKKR IELLYSKYNE FEGSPNSLLF VLGSSNAENP YQKTTILHNW DATA SEQUENCE LLSYEFPATL IALVPGKVII ITSSAKAKHL QKAIDLFKDX XSKITLELWQ DATA SEQUENCE RNNKEPELNK KLFDDVIALI NSAGKTVGIP EKDSYQGKFM TEWNPVWEAA DATA SEQUENCE VKENEFNVID ISLGLSKVWE VKDVNEQAFL SVSSKGSDKF MDLLSNEMVR DATA SEQUENCE AVDEELKITN AKLSDKIENK IDDVKFLKQL SPDLSALCPP NYKFNFDLLD DATA SEQUENCE WTYSPIIQSG KKFDLRVSAR STNDQLYGNG CILASCGIRY NNYCSNITRT DATA SEQUENCE FLIDPSEEMA NNYDFLLTLQ KEIVTNILKP GRTPKEVYES VIEYIEKTKP DATA SEQUENCE ELVPNFTKNI GSLIGLEFRD SNFILNVKND YRKIQRGDCF NISFGFNNLK DATA SEQUENCE DSQSANNYAL QLADTVQIPL DETEPPRFLT NYTKAKSQIS FYFN 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.539 175.510 0.048 0.000 1.280 5 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 5 N CB 0.000 38.482 38.487 -0.009 0.000 1.341 6 I N 0.389 120.863 120.570 -0.160 0.000 2.569 6 I HA 0.278 4.449 4.170 0.001 0.000 0.296 6 I C -0.937 174.840 176.117 -0.568 0.000 1.028 6 I CA -0.652 60.437 61.300 -0.352 0.000 1.082 6 I CB 1.828 39.466 38.000 -0.603 0.000 1.264 6 I HN 0.558 nan 8.210 nan 0.000 0.429 7 D N 4.712 124.912 120.400 -0.333 0.000 2.365 7 D HA 0.166 4.807 4.640 0.001 0.000 0.237 7 D C 0.358 176.531 176.300 -0.211 0.000 1.190 7 D CA 0.056 53.932 54.000 -0.207 0.000 0.867 7 D CB 0.572 41.379 40.800 0.012 0.000 1.050 7 D HN 0.268 nan 8.370 nan 0.000 0.491 8 F N 1.454 121.438 119.950 0.056 0.000 2.615 8 F HA 0.024 4.552 4.527 0.001 0.000 0.297 8 F C 2.000 177.863 175.800 0.104 0.000 1.124 8 F CA 0.114 58.167 58.000 0.089 0.000 1.451 8 F CB 0.142 39.160 39.000 0.030 0.000 1.103 8 F HN 0.352 nan 8.300 nan 0.000 0.569 9 D N -0.261 120.250 120.400 0.185 0.000 2.234 9 D HA -0.074 4.567 4.640 0.001 0.000 0.205 9 D C 2.471 178.808 176.300 0.062 0.000 0.962 9 D CA 0.944 54.998 54.000 0.091 0.000 0.855 9 D CB -0.016 40.815 40.800 0.051 0.000 0.951 9 D HN 0.139 nan 8.370 nan 0.000 0.500 10 V N 1.018 120.975 119.914 0.071 0.000 2.407 10 V HA -0.181 3.940 4.120 0.001 0.000 0.245 10 V C 2.115 178.196 176.094 -0.022 0.000 1.041 10 V CA 0.896 63.202 62.300 0.009 0.000 1.040 10 V CB -0.493 31.344 31.823 0.023 0.000 0.671 10 V HN 0.054 nan 8.190 nan 0.000 0.455 11 F N 1.493 121.405 119.950 -0.064 0.000 2.069 11 F HA -0.244 4.284 4.527 0.002 0.000 0.298 11 F C 2.490 178.307 175.800 0.027 0.000 1.113 11 F CA 2.439 60.422 58.000 -0.028 0.000 1.214 11 F CB -0.383 38.694 39.000 0.128 0.000 0.978 11 F HN -0.017 nan 8.300 nan 0.000 0.474 12 K N 0.625 121.060 120.400 0.058 0.000 2.020 12 K HA -0.304 4.017 4.320 0.001 0.000 0.212 12 K C 2.143 178.679 176.600 -0.106 0.000 1.050 12 K CA 2.416 58.663 56.287 -0.067 0.000 0.929 12 K CB -0.295 32.117 32.500 -0.145 0.000 0.714 12 K HN 0.492 nan 8.250 nan 0.000 0.443 13 K N -0.178 120.161 120.400 -0.101 0.000 2.217 13 K HA -0.095 4.226 4.320 0.001 0.000 0.202 13 K C 1.964 178.489 176.600 -0.125 0.000 1.051 13 K CA 1.055 57.295 56.287 -0.077 0.000 0.952 13 K CB -0.033 32.440 32.500 -0.046 0.000 0.736 13 K HN 0.060 nan 8.250 nan 0.000 0.453 14 R N 0.094 120.410 120.500 -0.307 0.000 2.100 14 R HA 0.104 4.445 4.340 0.001 0.000 0.220 14 R C 2.239 178.366 176.300 -0.289 0.000 1.091 14 R CA 0.856 56.620 56.100 -0.560 0.000 0.986 14 R CB -0.333 29.149 30.300 -1.363 0.000 0.888 14 R HN 0.140 nan 8.270 nan 0.000 0.444 15 I N 1.799 122.169 120.570 -0.334 0.000 2.361 15 I HA -0.218 3.953 4.170 0.001 0.000 0.251 15 I C 1.638 177.759 176.117 0.007 0.000 1.133 15 I CA 1.633 62.807 61.300 -0.211 0.000 1.413 15 I CB 0.077 37.743 38.000 -0.557 0.000 1.073 15 I HN 0.136 nan 8.210 nan 0.000 0.424 16 E N -0.372 119.850 120.200 0.037 0.000 2.107 16 E HA -0.213 4.138 4.350 0.001 0.000 0.191 16 E C 2.061 178.781 176.600 0.200 0.000 0.982 16 E CA 0.980 57.465 56.400 0.142 0.000 0.809 16 E CB -0.197 29.575 29.700 0.120 0.000 0.756 16 E HN 0.342 nan 8.360 nan 0.000 0.459 17 L N 1.252 122.580 121.223 0.174 0.000 1.989 17 L HA -0.204 4.137 4.340 0.001 0.000 0.211 17 L C 2.150 179.193 176.870 0.290 0.000 1.071 17 L CA 1.569 56.554 54.840 0.240 0.000 0.749 17 L CB -0.496 41.755 42.059 0.319 0.000 0.890 17 L HN 0.190 nan 8.230 nan 0.000 0.431 18 L N -1.861 119.580 121.223 0.364 0.000 1.989 18 L HA -0.321 4.020 4.340 0.001 0.000 0.211 18 L C 2.554 179.594 176.870 0.284 0.000 1.071 18 L CA 1.985 57.033 54.840 0.347 0.000 0.749 18 L CB -0.518 41.765 42.059 0.375 0.000 0.890 18 L HN 0.426 nan 8.230 nan 0.000 0.431 19 Y N 0.569 120.977 120.300 0.180 0.000 2.151 19 Y HA -0.375 4.176 4.550 0.001 0.000 0.284 19 Y C 2.963 178.923 175.900 0.101 0.000 1.166 19 Y CA 2.212 60.442 58.100 0.217 0.000 1.163 19 Y CB -0.184 38.341 38.460 0.108 0.000 0.974 19 Y HN 0.423 nan 8.280 nan 0.000 0.511 20 S N -0.741 115.006 115.700 0.078 0.000 2.423 20 S HA -0.110 4.361 4.470 0.001 0.000 0.231 20 S C 1.710 176.216 174.600 -0.157 0.000 1.014 20 S CA 1.015 59.184 58.200 -0.051 0.000 0.965 20 S CB -0.172 63.072 63.200 0.074 0.000 0.785 20 S HN 0.389 nan 8.310 nan 0.000 0.495 21 K N 0.665 120.998 120.400 -0.112 0.000 2.276 21 K HA 0.137 4.457 4.320 0.001 0.000 0.198 21 K C 2.007 178.329 176.600 -0.462 0.000 1.052 21 K CA 0.907 57.115 56.287 -0.131 0.000 0.984 21 K CB -0.614 31.944 32.500 0.096 0.000 0.836 21 K HN 0.723 nan 8.250 nan 0.000 0.490 22 Y N 1.671 121.510 120.300 -0.768 0.000 2.165 22 Y HA -0.206 4.345 4.550 0.002 0.000 0.286 22 Y C 1.700 177.077 175.900 -0.872 0.000 1.155 22 Y CA 1.731 58.974 58.100 -1.429 0.000 1.164 22 Y CB -0.916 36.992 38.460 -0.919 0.000 0.978 22 Y HN -0.020 nan 8.280 nan 0.000 0.513 23 N N 0.514 118.570 118.700 -1.072 0.000 2.550 23 N HA -0.123 4.618 4.740 0.001 0.000 0.186 23 N C 1.041 176.361 175.510 -0.318 0.000 1.110 23 N CA 1.071 53.731 53.050 -0.650 0.000 0.912 23 N CB -0.230 37.833 38.487 -0.706 0.000 0.968 23 N HN 0.670 nan 8.380 nan 0.000 0.448 24 E N -1.070 118.962 120.200 -0.281 0.000 2.474 24 E HA 0.014 4.365 4.350 0.001 0.000 0.194 24 E C -0.305 176.369 176.600 0.122 0.000 1.041 24 E CA -0.291 56.065 56.400 -0.074 0.000 0.874 24 E CB 0.156 29.823 29.700 -0.055 0.000 0.914 24 E HN 0.205 nan 8.360 nan 0.000 0.498 25 F N 2.650 122.571 119.950 -0.048 0.000 2.586 25 F HA -0.027 4.501 4.527 0.001 0.000 0.344 25 F C 1.216 176.995 175.800 -0.036 0.000 1.188 25 F CA -0.569 57.411 58.000 -0.032 0.000 1.359 25 F CB -0.029 38.969 39.000 -0.004 0.000 1.129 25 F HN -0.110 nan 8.300 nan 0.000 0.609 26 E N 0.466 120.746 120.200 0.134 0.000 2.502 26 E HA 0.238 4.588 4.350 0.001 0.000 0.261 26 E C 1.066 177.704 176.600 0.064 0.000 0.974 26 E CA 0.921 57.350 56.400 0.048 0.000 0.936 26 E CB 0.049 29.735 29.700 -0.023 0.000 0.926 26 E HN 0.830 nan 8.360 nan 0.000 0.459 27 G N 2.606 111.428 108.800 0.037 0.000 2.179 27 G HA2 -0.383 3.578 3.960 0.001 0.000 0.260 27 G HA3 -0.383 3.578 3.960 0.001 0.000 0.260 27 G C 0.341 175.265 174.900 0.041 0.000 0.977 27 G CA 0.079 45.200 45.100 0.035 0.000 0.641 27 G HN 0.654 nan 8.290 nan 0.000 0.533 28 S N 0.172 115.898 115.700 0.043 0.000 3.572 28 S HA -0.123 4.348 4.470 0.001 0.000 0.394 28 S C -1.566 173.043 174.600 0.014 0.000 0.923 28 S CA 0.944 59.149 58.200 0.007 0.000 1.291 28 S CB -0.828 62.364 63.200 -0.014 0.000 0.914 28 S HN 1.024 nan 8.310 nan 0.000 0.545 29 P HA 0.239 nan 4.420 nan 0.000 0.276 29 P C 0.385 177.751 177.300 0.111 0.000 1.230 29 P CA -0.425 62.725 63.100 0.085 0.000 0.776 29 P CB 0.519 32.294 31.700 0.125 0.000 0.888 30 N N 0.572 119.330 118.700 0.097 0.000 2.270 30 N HA -0.052 4.688 4.740 0.001 0.000 0.181 30 N C 0.592 176.247 175.510 0.242 0.000 1.016 30 N CA 0.693 53.813 53.050 0.118 0.000 0.870 30 N CB -0.017 38.515 38.487 0.075 0.000 0.979 30 N HN 0.536 nan 8.380 nan 0.000 0.431 31 S N -0.500 115.278 115.700 0.130 0.000 2.618 31 S HA 0.601 5.072 4.470 0.001 0.000 0.277 31 S C -1.262 173.184 174.600 -0.256 0.000 1.138 31 S CA -1.095 57.068 58.200 -0.060 0.000 0.844 31 S CB 1.685 64.841 63.200 -0.074 0.000 1.127 31 S HN -0.040 nan 8.310 nan 0.000 0.474 32 L N 1.391 122.337 121.223 -0.462 0.000 2.362 32 L HA 0.724 5.065 4.340 0.001 0.000 0.271 32 L C -1.508 175.068 176.870 -0.490 0.000 1.002 32 L CA -1.004 53.537 54.840 -0.499 0.000 0.818 32 L CB 1.777 43.545 42.059 -0.484 0.000 1.298 32 L HN 0.648 nan 8.230 nan 0.000 0.420 33 L N 3.234 124.049 121.223 -0.679 0.000 2.441 33 L HA 0.571 4.912 4.340 0.001 0.000 0.270 33 L C -1.588 174.861 176.870 -0.702 0.000 0.973 33 L CA 0.006 54.510 54.840 -0.561 0.000 0.842 33 L CB 1.429 43.172 42.059 -0.527 0.000 1.239 33 L HN 0.244 nan 8.230 nan 0.000 0.406 34 F N 5.151 125.002 119.950 -0.165 0.000 2.445 34 F HA 0.619 5.146 4.527 0.001 0.000 0.348 34 F C -0.182 175.518 175.800 -0.167 0.000 1.125 34 F CA -0.905 57.042 58.000 -0.088 0.000 0.983 34 F CB 1.907 40.923 39.000 0.026 0.000 1.198 34 F HN 0.079 nan 8.300 nan 0.000 0.436 35 V N 5.252 125.121 119.914 -0.075 0.000 2.378 35 V HA 0.394 4.515 4.120 0.001 0.000 0.288 35 V C -0.811 175.142 176.094 -0.235 0.000 1.016 35 V CA -0.688 61.484 62.300 -0.213 0.000 0.840 35 V CB 1.676 33.200 31.823 -0.500 0.000 0.994 35 V HN 0.468 nan 8.190 nan 0.000 0.431 36 L N 5.231 126.226 121.223 -0.380 0.000 2.287 36 L HA 0.861 5.202 4.340 0.001 0.000 0.287 36 L C 0.552 177.059 176.870 -0.606 0.000 1.022 36 L CA 0.444 54.779 54.840 -0.842 0.000 0.814 36 L CB 0.953 42.508 42.059 -0.841 0.000 1.217 36 L HN 0.638 nan 8.230 nan 0.000 0.420 37 G N 3.234 111.712 108.800 -0.536 0.000 3.372 37 G HA2 0.204 4.165 3.960 0.001 0.000 0.178 37 G HA3 0.204 4.165 3.960 0.001 0.000 0.178 37 G C -0.396 174.446 174.900 -0.097 0.000 1.817 37 G CA -0.266 44.791 45.100 -0.073 0.000 0.996 37 G HN 0.595 nan 8.290 nan 0.000 0.559 38 S N 0.089 115.829 115.700 0.068 0.000 2.576 38 S HA 0.417 4.887 4.470 0.001 0.000 0.276 38 S C 0.725 175.379 174.600 0.091 0.000 1.339 38 S CA -0.331 57.902 58.200 0.056 0.000 1.039 38 S CB 1.052 64.302 63.200 0.084 0.000 0.902 38 S HN 0.837 nan 8.310 nan 0.000 0.516 39 S N 2.536 118.255 115.700 0.031 0.000 2.585 39 S HA 0.368 4.839 4.470 0.001 0.000 0.273 39 S C -0.347 174.282 174.600 0.048 0.000 1.339 39 S CA -0.685 57.542 58.200 0.045 0.000 1.028 39 S CB 0.406 63.602 63.200 -0.006 0.000 0.906 39 S HN 0.678 nan 8.310 nan 0.000 0.528 40 N N 0.390 119.111 118.700 0.034 0.000 2.594 40 N HA 0.396 5.137 4.740 0.001 0.000 0.280 40 N C 0.248 175.732 175.510 -0.043 0.000 1.156 40 N CA -0.128 52.923 53.050 0.002 0.000 0.831 40 N CB 1.376 39.868 38.487 0.008 0.000 1.379 40 N HN 0.703 nan 8.380 nan 0.000 0.536 41 A N 2.765 125.557 122.820 -0.048 0.000 2.125 41 A HA -0.050 4.271 4.320 0.001 0.000 0.219 41 A C 1.291 178.820 177.584 -0.091 0.000 1.156 41 A CA 1.170 53.162 52.037 -0.075 0.000 0.671 41 A CB -0.080 18.892 19.000 -0.047 0.000 0.794 41 A HN 0.770 nan 8.150 nan 0.000 0.459 42 E N -0.930 119.231 120.200 -0.065 0.000 2.479 42 E HA 0.025 4.376 4.350 0.001 0.000 0.193 42 E C 0.238 176.798 176.600 -0.067 0.000 1.049 42 E CA -0.036 56.332 56.400 -0.054 0.000 0.870 42 E CB 0.012 29.696 29.700 -0.027 0.000 0.944 42 E HN 0.674 nan 8.360 nan 0.000 0.492 43 N N 0.939 119.580 118.700 -0.099 0.000 2.733 43 N HA 0.101 4.841 4.740 0.001 0.000 0.271 43 N C -2.311 173.092 175.510 -0.178 0.000 1.720 43 N CA -1.220 51.764 53.050 -0.110 0.000 0.803 43 N CB 0.867 39.304 38.487 -0.083 0.000 1.208 43 N HN -0.094 nan 8.380 nan 0.000 0.498 44 P HA 0.089 nan 4.420 nan 0.000 0.261 44 P C -0.363 176.661 177.300 -0.461 0.000 1.268 44 P CA 0.380 63.198 63.100 -0.470 0.000 0.833 44 P CB -0.207 31.073 31.700 -0.700 0.000 1.231 45 Y N -0.385 119.926 120.300 0.018 0.000 2.696 45 Y HA 0.285 4.836 4.550 0.001 0.000 0.260 45 Y C 1.000 176.919 175.900 0.032 0.000 1.165 45 Y CA -0.828 57.285 58.100 0.021 0.000 1.189 45 Y CB 0.334 38.828 38.460 0.056 0.000 1.180 45 Y HN -0.087 nan 8.280 nan 0.000 0.538 46 Q N 0.920 120.790 119.800 0.117 0.000 2.392 46 Q HA 0.039 4.379 4.340 0.001 0.000 0.262 46 Q C 0.968 177.081 176.000 0.188 0.000 1.003 46 Q CA -0.293 55.575 55.803 0.108 0.000 0.888 46 Q CB 1.041 29.766 28.738 -0.021 0.000 1.260 46 Q HN 0.211 nan 8.270 nan 0.000 0.435 47 K N 1.059 121.599 120.400 0.234 0.000 2.074 47 K HA -0.155 4.166 4.320 0.001 0.000 0.209 47 K C 1.893 178.710 176.600 0.361 0.000 1.048 47 K CA 1.741 58.235 56.287 0.346 0.000 0.926 47 K CB -0.403 32.306 32.500 0.349 0.000 0.713 47 K HN 0.637 nan 8.250 nan 0.000 0.444 48 T N 0.822 115.589 114.554 0.356 0.000 2.821 48 T HA -0.088 4.263 4.350 0.001 0.000 0.267 48 T C 1.892 176.641 174.700 0.082 0.000 1.046 48 T CA 1.694 63.974 62.100 0.299 0.000 1.139 48 T CB -0.205 68.857 68.868 0.324 0.000 0.871 48 T HN 0.295 nan 8.240 nan 0.000 0.454 49 T N 2.379 116.991 114.554 0.097 0.000 2.777 49 T HA 0.005 4.356 4.350 0.001 0.000 0.266 49 T C 1.932 176.627 174.700 -0.008 0.000 1.040 49 T CA 0.674 62.766 62.100 -0.013 0.000 1.141 49 T CB -0.220 68.683 68.868 0.057 0.000 0.868 49 T HN 0.218 nan 8.240 nan 0.000 0.444 50 I N 1.137 121.691 120.570 -0.026 0.000 2.226 50 I HA -0.092 4.079 4.170 0.001 0.000 0.245 50 I C 2.377 178.308 176.117 -0.309 0.000 1.100 50 I CA 1.037 62.184 61.300 -0.254 0.000 1.374 50 I CB -1.297 36.453 38.000 -0.418 0.000 1.057 50 I HN 0.240 nan 8.210 nan 0.000 0.413 51 L N 0.760 121.950 121.223 -0.056 0.000 2.012 51 L HA -0.262 4.079 4.340 0.001 0.000 0.210 51 L C 2.606 179.569 176.870 0.156 0.000 1.073 51 L CA 2.051 56.967 54.840 0.127 0.000 0.748 51 L CB -0.855 41.194 42.059 -0.017 0.000 0.891 51 L HN 0.181 nan 8.230 nan 0.000 0.431 52 H N -0.025 119.015 119.070 -0.049 0.000 2.319 52 H HA -0.121 4.436 4.556 0.001 0.000 0.299 52 H C 2.175 177.478 175.328 -0.042 0.000 1.092 52 H CA 1.898 57.916 56.048 -0.050 0.000 1.302 52 H CB -0.403 29.341 29.762 -0.030 0.000 1.373 52 H HN 0.416 nan 8.280 nan 0.000 0.497 53 N N -0.624 118.110 118.700 0.058 0.000 2.188 53 N HA -0.153 4.588 4.740 0.001 0.000 0.184 53 N C 1.779 177.268 175.510 -0.034 0.000 1.018 53 N CA 0.795 53.805 53.050 -0.067 0.000 0.858 53 N CB -0.568 37.814 38.487 -0.175 0.000 0.989 53 N HN 0.401 nan 8.380 nan 0.000 0.426 54 W N 1.951 123.114 121.300 -0.228 0.000 2.355 54 W HA 0.006 4.666 4.660 0.001 0.000 0.309 54 W C 1.923 178.437 176.519 -0.008 0.000 1.206 54 W CA 0.999 58.260 57.345 -0.140 0.000 1.284 54 W CB -0.503 28.862 29.460 -0.158 0.000 1.145 54 W HN -0.024 nan 8.180 nan 0.000 0.502 55 L N -0.628 120.628 121.223 0.054 0.000 2.179 55 L HA -0.049 4.292 4.340 0.001 0.000 0.208 55 L C 1.765 178.690 176.870 0.091 0.000 1.096 55 L CA 0.870 55.714 54.840 0.006 0.000 0.779 55 L CB -0.455 41.684 42.059 0.133 0.000 0.922 55 L HN -0.010 nan 8.230 nan 0.000 0.443 56 L N -2.077 119.137 121.223 -0.016 0.000 3.174 56 L HA 0.153 4.494 4.340 0.001 0.000 0.283 56 L C 1.362 178.179 176.870 -0.089 0.000 1.187 56 L CA 0.567 55.365 54.840 -0.071 0.000 1.018 56 L CB 0.573 42.510 42.059 -0.202 0.000 1.433 56 L HN 0.270 nan 8.230 nan 0.000 0.593 57 S N -1.319 114.280 115.700 -0.168 0.000 3.011 57 S HA -0.290 4.180 4.470 0.001 0.000 0.278 57 S C -0.081 174.159 174.600 -0.600 0.000 1.300 57 S CA 1.384 59.354 58.200 -0.383 0.000 1.248 57 S CB -2.219 60.702 63.200 -0.464 0.000 1.517 57 S HN 0.456 nan 8.310 nan 0.000 0.685 58 Y N 1.167 121.463 120.300 -0.006 0.000 2.570 58 Y HA 0.732 5.282 4.550 0.001 0.000 0.345 58 Y C 0.209 176.230 175.900 0.201 0.000 1.014 58 Y CA -1.036 57.117 58.100 0.089 0.000 1.063 58 Y CB 1.106 39.685 38.460 0.198 0.000 1.272 58 Y HN 0.328 nan 8.280 nan 0.000 0.477 59 E N 1.775 122.187 120.200 0.354 0.000 2.146 59 E HA 0.345 4.695 4.350 0.001 0.000 0.282 59 E C -1.758 175.093 176.600 0.418 0.000 0.989 59 E CA -0.494 56.095 56.400 0.314 0.000 0.799 59 E CB 0.501 30.253 29.700 0.086 0.000 1.088 59 E HN 0.439 nan 8.360 nan 0.000 0.397 60 F N 7.023 127.126 119.950 0.256 0.000 2.309 60 F HA 0.306 4.834 4.527 0.001 0.000 0.366 60 F C -1.890 173.893 175.800 -0.027 0.000 1.104 60 F CA -2.693 55.371 58.000 0.106 0.000 1.179 60 F CB 0.711 39.769 39.000 0.097 0.000 1.437 60 F HN 0.338 nan 8.300 nan 0.000 0.528 61 P HA 0.042 nan 4.420 nan 0.000 0.270 61 P C 0.084 177.213 177.300 -0.285 0.000 1.227 61 P CA 0.237 63.231 63.100 -0.176 0.000 0.788 61 P CB 0.697 32.316 31.700 -0.135 0.000 0.926 62 A N -0.522 121.999 122.820 -0.497 0.000 2.687 62 A HA -0.133 4.188 4.320 0.001 0.000 0.299 62 A C 0.170 176.995 177.584 -1.266 0.000 1.497 62 A CA 1.283 52.699 52.037 -1.035 0.000 0.751 62 A CB -2.629 16.120 19.000 -0.417 0.000 1.048 62 A HN 0.550 nan 8.150 nan 0.000 0.464 63 T N -0.431 113.554 114.554 -0.948 0.000 2.916 63 T HA 0.627 4.978 4.350 0.001 0.000 0.298 63 T C -0.519 174.088 174.700 -0.155 0.000 1.031 63 T CA -0.200 61.692 62.100 -0.346 0.000 0.993 63 T CB 1.776 70.662 68.868 0.031 0.000 1.045 63 T HN 0.978 nan 8.240 nan 0.000 0.454 64 L N 4.083 125.329 121.223 0.039 0.000 2.341 64 L HA 0.752 5.093 4.340 0.001 0.000 0.278 64 L C -1.509 175.352 176.870 -0.016 0.000 1.005 64 L CA -0.878 53.973 54.840 0.018 0.000 0.818 64 L CB 0.852 42.946 42.059 0.058 0.000 1.259 64 L HN 0.650 nan 8.230 nan 0.000 0.418 65 I N 4.863 125.436 120.570 0.005 0.000 2.436 65 I HA 0.660 4.831 4.170 0.001 0.000 0.289 65 I C -0.370 175.765 176.117 0.030 0.000 1.010 65 I CA -0.489 60.816 61.300 0.008 0.000 1.098 65 I CB 1.984 40.009 38.000 0.042 0.000 1.266 65 I HN 0.675 nan 8.210 nan 0.000 0.434 66 A N 6.782 129.556 122.820 -0.076 0.000 2.355 66 A HA 0.888 5.209 4.320 0.001 0.000 0.317 66 A C -1.313 176.206 177.584 -0.108 0.000 1.094 66 A CA -0.457 51.513 52.037 -0.111 0.000 0.764 66 A CB 1.311 20.214 19.000 -0.161 0.000 1.230 66 A HN 0.564 nan 8.150 nan 0.000 0.448 67 L N 2.548 123.689 121.223 -0.137 0.000 2.325 67 L HA 0.634 4.975 4.340 0.001 0.000 0.281 67 L C 0.075 176.852 176.870 -0.154 0.000 1.004 67 L CA -0.272 54.475 54.840 -0.155 0.000 0.823 67 L CB 1.741 43.623 42.059 -0.295 0.000 1.236 67 L HN 0.727 nan 8.230 nan 0.000 0.415 68 V N 1.566 121.495 119.914 0.025 0.000 3.126 68 V HA 0.788 4.908 4.120 0.001 0.000 0.314 68 V C -2.630 173.631 176.094 0.277 0.000 1.138 68 V CA -2.867 59.508 62.300 0.124 0.000 1.034 68 V CB 1.742 33.611 31.823 0.077 0.000 1.075 68 V HN 0.494 nan 8.190 nan 0.000 0.442 69 P HA 0.279 nan 4.420 nan 0.000 0.260 69 P C 0.942 178.385 177.300 0.238 0.000 1.185 69 P CA 2.026 65.277 63.100 0.253 0.000 0.763 69 P CB 0.421 32.202 31.700 0.135 0.000 0.776 70 G N 2.324 111.315 108.800 0.317 0.000 2.205 70 G HA2 -0.268 3.693 3.960 0.001 0.000 0.261 70 G HA3 -0.268 3.693 3.960 0.001 0.000 0.261 70 G C 0.105 174.981 174.900 -0.040 0.000 0.980 70 G CA 0.089 45.246 45.100 0.096 0.000 0.632 70 G HN 0.562 nan 8.290 nan 0.000 0.533 71 K N -0.582 119.809 120.400 -0.014 0.000 2.498 71 K HA 0.624 4.945 4.320 0.001 0.000 0.254 71 K C -1.057 175.460 176.600 -0.140 0.000 0.933 71 K CA -0.797 55.429 56.287 -0.101 0.000 0.806 71 K CB 3.174 35.647 32.500 -0.044 0.000 1.301 71 K HN 0.051 nan 8.250 nan 0.000 0.432 72 V N 4.414 124.183 119.914 -0.241 0.000 2.378 72 V HA 0.403 4.524 4.120 0.001 0.000 0.288 72 V C -0.457 175.481 176.094 -0.261 0.000 1.016 72 V CA -0.853 61.305 62.300 -0.236 0.000 0.840 72 V CB 1.284 32.927 31.823 -0.300 0.000 0.994 72 V HN 0.580 nan 8.190 nan 0.000 0.431 73 I N 6.021 126.413 120.570 -0.296 0.000 2.412 73 I HA 0.533 4.704 4.170 0.001 0.000 0.296 73 I C -0.205 175.692 176.117 -0.366 0.000 0.987 73 I CA -0.543 60.463 61.300 -0.489 0.000 1.180 73 I CB 1.867 39.404 38.000 -0.773 0.000 1.340 73 I HN 0.444 nan 8.210 nan 0.000 0.455 74 I N 6.670 127.026 120.570 -0.356 0.000 2.439 74 I HA 0.402 4.573 4.170 0.001 0.000 0.285 74 I C -0.256 175.786 176.117 -0.124 0.000 1.021 74 I CA -0.461 60.726 61.300 -0.188 0.000 1.091 74 I CB 2.022 39.949 38.000 -0.122 0.000 1.242 74 I HN 0.318 nan 8.210 nan 0.000 0.439 75 I N 5.748 126.300 120.570 -0.030 0.000 2.297 75 I HA 0.355 4.525 4.170 0.001 0.000 0.291 75 I C 0.313 176.509 176.117 0.131 0.000 1.033 75 I CA 0.295 61.666 61.300 0.119 0.000 1.253 75 I CB 1.431 39.557 38.000 0.210 0.000 1.396 75 I HN 0.591 nan 8.210 nan 0.000 0.476 76 T N 3.308 117.936 114.554 0.123 0.000 2.645 76 T HA 0.359 4.709 4.350 0.001 0.000 0.300 76 T C -0.433 174.319 174.700 0.087 0.000 1.210 76 T CA -0.451 61.706 62.100 0.095 0.000 1.034 76 T CB 1.425 70.359 68.868 0.111 0.000 1.537 76 T HN 0.602 nan 8.240 nan 0.000 0.492 77 S N 0.651 116.384 115.700 0.056 0.000 2.600 77 S HA 0.272 4.742 4.470 0.001 0.000 0.265 77 S C 1.630 176.248 174.600 0.029 0.000 1.325 77 S CA 0.282 58.504 58.200 0.036 0.000 1.002 77 S CB 0.854 64.057 63.200 0.005 0.000 0.921 77 S HN 0.891 nan 8.310 nan 0.000 0.554 78 S N 1.671 117.378 115.700 0.012 0.000 2.382 78 S HA -0.110 4.361 4.470 0.001 0.000 0.228 78 S C 2.054 176.629 174.600 -0.041 0.000 1.027 78 S CA 0.749 58.945 58.200 -0.006 0.000 0.991 78 S CB -1.298 61.895 63.200 -0.013 0.000 0.823 78 S HN 1.081 nan 8.310 nan 0.000 0.469 79 A N 2.533 125.321 122.820 -0.054 0.000 1.902 79 A HA -0.097 4.224 4.320 0.001 0.000 0.217 79 A C 2.267 179.771 177.584 -0.133 0.000 1.181 79 A CA 1.557 53.527 52.037 -0.112 0.000 0.623 79 A CB -0.516 18.440 19.000 -0.074 0.000 0.818 79 A HN 0.531 nan 8.150 nan 0.000 0.443 80 K N -0.487 119.913 120.400 0.001 0.000 2.103 80 K HA 0.024 4.345 4.320 0.001 0.000 0.204 80 K C 2.288 178.996 176.600 0.180 0.000 1.052 80 K CA 0.924 57.301 56.287 0.150 0.000 0.945 80 K CB -0.318 32.252 32.500 0.117 0.000 0.722 80 K HN 0.424 nan 8.250 nan 0.000 0.443 81 A N 1.815 124.683 122.820 0.080 0.000 1.978 81 A HA -0.215 4.106 4.320 0.001 0.000 0.220 81 A C 1.878 179.462 177.584 0.001 0.000 1.170 81 A CA 1.687 53.755 52.037 0.050 0.000 0.636 81 A CB -0.239 18.783 19.000 0.037 0.000 0.810 81 A HN 0.101 nan 8.150 nan 0.000 0.448 82 K N -0.633 119.723 120.400 -0.075 0.000 2.155 82 K HA -0.041 4.280 4.320 0.001 0.000 0.203 82 K C 1.772 178.303 176.600 -0.115 0.000 1.052 82 K CA 1.202 57.407 56.287 -0.137 0.000 0.948 82 K CB -0.352 32.015 32.500 -0.222 0.000 0.728 82 K HN 0.626 nan 8.250 nan 0.000 0.448 83 H N -0.172 118.933 119.070 0.060 0.000 2.489 83 H HA 0.002 4.558 4.556 0.001 0.000 0.293 83 H C 1.514 176.965 175.328 0.205 0.000 1.066 83 H CA 1.073 57.198 56.048 0.130 0.000 1.305 83 H CB 0.144 29.995 29.762 0.148 0.000 1.386 83 H HN 0.142 nan 8.280 nan 0.000 0.551 84 L N -0.329 120.999 121.223 0.175 0.000 2.609 84 L HA 0.047 4.387 4.340 0.001 0.000 0.230 84 L C 2.485 179.229 176.870 -0.210 0.000 1.087 84 L CA 0.063 54.896 54.840 -0.013 0.000 0.874 84 L CB -0.149 41.882 42.059 -0.047 0.000 1.114 84 L HN 0.077 nan 8.230 nan 0.000 0.488 85 Q N 1.249 120.974 119.800 -0.125 0.000 2.165 85 Q HA -0.278 4.063 4.340 0.001 0.000 0.215 85 Q C 1.475 177.333 176.000 -0.236 0.000 1.010 85 Q CA 1.896 57.614 55.803 -0.141 0.000 0.896 85 Q CB 0.151 28.837 28.738 -0.087 0.000 0.956 85 Q HN 0.284 nan 8.270 nan 0.000 0.413 86 K N -0.747 119.425 120.400 -0.380 0.000 2.486 86 K HA 0.039 4.359 4.320 0.001 0.000 0.194 86 K C 1.509 177.738 176.600 -0.619 0.000 1.033 86 K CA 0.773 56.804 56.287 -0.428 0.000 1.004 86 K CB -0.086 32.224 32.500 -0.318 0.000 0.798 86 K HN 0.295 nan 8.250 nan 0.000 0.495 87 A N 1.245 123.580 122.820 -0.808 0.000 1.930 87 A HA -0.030 4.290 4.320 0.001 0.000 0.215 87 A C 2.140 179.701 177.584 -0.039 0.000 1.176 87 A CA 0.617 52.350 52.037 -0.506 0.000 0.632 87 A CB -0.401 18.307 19.000 -0.486 0.000 0.819 87 A HN 0.190 nan 8.150 nan 0.000 0.445 88 I N 0.128 120.679 120.570 -0.032 0.000 2.151 88 I HA -0.303 3.868 4.170 0.001 0.000 0.243 88 I C 2.192 178.368 176.117 0.098 0.000 1.080 88 I CA 2.056 63.415 61.300 0.098 0.000 1.339 88 I CB -0.640 37.376 38.000 0.027 0.000 1.039 88 I HN 0.329 nan 8.210 nan 0.000 0.409 89 D N 0.817 121.208 120.400 -0.015 0.000 2.311 89 D HA -0.172 4.469 4.640 0.001 0.000 0.212 89 D C 1.808 178.065 176.300 -0.072 0.000 0.972 89 D CA 0.887 54.867 54.000 -0.035 0.000 0.887 89 D CB 0.087 40.851 40.800 -0.061 0.000 0.915 89 D HN 0.099 nan 8.370 nan 0.000 0.497 90 L N -0.709 120.428 121.223 -0.143 0.000 2.492 90 L HA 0.129 4.469 4.340 0.001 0.000 0.223 90 L C 0.754 177.303 176.870 -0.535 0.000 1.132 90 L CA 0.866 55.498 54.840 -0.347 0.000 0.850 90 L CB -0.313 41.474 42.059 -0.453 0.000 0.966 90 L HN 0.107 nan 8.230 nan 0.000 0.454 91 F N -1.741 118.197 119.950 -0.020 0.000 2.668 91 F HA 0.191 4.719 4.527 0.001 0.000 0.301 91 F C 1.547 177.330 175.800 -0.028 0.000 1.106 91 F CA -0.113 57.868 58.000 -0.032 0.000 1.289 91 F CB -0.073 38.901 39.000 -0.044 0.000 1.006 91 F HN -0.137 nan 8.300 nan 0.000 0.535 92 K N 0.146 120.589 120.400 0.072 0.000 2.417 92 K HA 0.046 4.367 4.320 0.001 0.000 0.196 92 K C -0.027 176.586 176.600 0.022 0.000 1.023 92 K CA -0.074 56.241 56.287 0.046 0.000 1.122 92 K CB 0.062 32.576 32.500 0.025 0.000 0.850 92 K HN 0.118 nan 8.250 nan 0.000 0.521 97 K N 1.486 121.902 120.400 0.028 0.000 2.519 97 K HA 0.194 4.515 4.320 0.001 0.000 0.196 97 K C 0.254 176.804 176.600 -0.083 0.000 1.041 97 K CA 0.993 57.288 56.287 0.014 0.000 0.954 97 K CB -0.360 32.203 32.500 0.105 0.000 0.774 97 K HN 0.682 nan 8.250 nan 0.000 0.480 98 I N 0.226 120.719 120.570 -0.129 0.000 2.607 98 I HA 0.183 4.354 4.170 0.001 0.000 0.305 98 I C 0.184 176.220 176.117 -0.134 0.000 0.995 98 I CA -0.896 60.235 61.300 -0.281 0.000 1.148 98 I CB 2.015 39.719 38.000 -0.493 0.000 1.323 98 I HN -0.040 nan 8.210 nan 0.000 0.461 99 T N 3.315 117.749 114.554 -0.200 0.000 2.900 99 T HA 0.552 4.903 4.350 0.001 0.000 0.295 99 T C -0.966 173.571 174.700 -0.272 0.000 1.044 99 T CA -0.796 61.225 62.100 -0.133 0.000 0.995 99 T CB 1.888 70.742 68.868 -0.024 0.000 1.072 99 T HN 0.453 nan 8.240 nan 0.000 0.473 100 L N 1.754 122.842 121.223 -0.224 0.000 2.307 100 L HA 0.621 4.961 4.340 0.001 0.000 0.284 100 L C -0.677 176.151 176.870 -0.070 0.000 1.023 100 L CA -0.540 54.169 54.840 -0.218 0.000 0.810 100 L CB 1.493 43.435 42.059 -0.195 0.000 1.231 100 L HN 0.910 nan 8.230 nan 0.000 0.423 101 E N 4.449 124.590 120.200 -0.099 0.000 2.210 101 E HA 0.393 4.744 4.350 0.001 0.000 0.266 101 E C -1.425 175.131 176.600 -0.073 0.000 0.883 101 E CA -0.895 55.497 56.400 -0.012 0.000 0.761 101 E CB 2.702 32.459 29.700 0.095 0.000 1.156 101 E HN 0.295 nan 8.360 nan 0.000 0.412 102 L N 3.398 124.672 121.223 0.085 0.000 2.276 102 L HA 0.341 4.681 4.340 0.001 0.000 0.286 102 L C -1.287 175.779 176.870 0.327 0.000 1.024 102 L CA -0.636 54.263 54.840 0.099 0.000 0.826 102 L CB 0.225 42.322 42.059 0.064 0.000 1.211 102 L HN 0.513 nan 8.230 nan 0.000 0.422 103 W N 3.941 125.244 121.300 0.004 0.000 2.283 103 W HA 0.501 5.161 4.660 0.001 0.000 0.317 103 W C 0.032 176.549 176.519 -0.003 0.000 1.042 103 W CA -1.064 56.281 57.345 0.001 0.000 1.348 103 W CB 0.332 29.795 29.460 0.006 0.000 1.216 103 W HN 0.480 nan 8.180 nan 0.000 0.404 104 Q N 2.842 122.748 119.800 0.177 0.000 2.279 104 Q HA 0.410 4.751 4.340 0.001 0.000 0.256 104 Q C 0.442 176.481 176.000 0.064 0.000 0.937 104 Q CA -0.556 55.306 55.803 0.099 0.000 0.933 104 Q CB 1.678 30.450 28.738 0.056 0.000 1.189 104 Q HN 0.282 nan 8.270 nan 0.000 0.417 105 R N 1.758 122.295 120.500 0.063 0.000 2.615 105 R HA 0.242 4.583 4.340 0.001 0.000 0.270 105 R C -0.192 176.124 176.300 0.026 0.000 1.081 105 R CA -0.244 55.877 56.100 0.036 0.000 1.154 105 R CB 0.404 30.744 30.300 0.068 0.000 1.063 105 R HN 0.473 nan 8.270 nan 0.000 0.519 106 N N 0.593 119.302 118.700 0.015 0.000 2.558 106 N HA 0.132 4.873 4.740 0.001 0.000 0.285 106 N C -0.598 174.923 175.510 0.019 0.000 1.112 106 N CA -0.387 52.671 53.050 0.013 0.000 0.857 106 N CB 0.903 39.392 38.487 0.002 0.000 1.376 106 N HN 0.381 nan 8.380 nan 0.000 0.526 107 N N 1.754 120.472 118.700 0.030 0.000 2.223 107 N HA -0.156 4.584 4.740 0.001 0.000 0.185 107 N C 1.173 176.701 175.510 0.030 0.000 1.016 107 N CA 1.023 54.096 53.050 0.039 0.000 0.863 107 N CB 0.055 38.571 38.487 0.049 0.000 0.983 107 N HN 0.659 nan 8.380 nan 0.000 0.429 108 K N 1.087 121.499 120.400 0.020 0.000 2.504 108 K HA -0.032 4.289 4.320 0.001 0.000 0.195 108 K C -0.055 176.553 176.600 0.012 0.000 1.036 108 K CA 0.889 57.185 56.287 0.016 0.000 0.984 108 K CB 0.183 32.689 32.500 0.010 0.000 0.788 108 K HN -0.084 nan 8.250 nan 0.000 0.488 109 E N 0.886 121.093 120.200 0.011 0.000 3.037 109 E HA 0.223 4.574 4.350 0.001 0.000 0.220 109 E C -2.134 174.471 176.600 0.008 0.000 1.142 109 E CA -2.688 53.716 56.400 0.006 0.000 0.888 109 E CB 1.158 30.856 29.700 -0.002 0.000 1.329 109 E HN 0.043 nan 8.360 nan 0.000 0.409 110 P HA -0.138 nan 4.420 nan 0.000 0.222 110 P C 0.923 178.235 177.300 0.020 0.000 1.147 110 P CA 0.714 63.829 63.100 0.025 0.000 0.790 110 P CB 0.595 32.317 31.700 0.037 0.000 0.780 111 E N 0.467 120.676 120.200 0.014 0.000 2.152 111 E HA -0.134 4.217 4.350 0.001 0.000 0.192 111 E C 1.907 178.506 176.600 -0.002 0.000 0.983 111 E CA 0.514 56.921 56.400 0.011 0.000 0.818 111 E CB -1.058 28.647 29.700 0.008 0.000 0.758 111 E HN 0.129 nan 8.360 nan 0.000 0.467 112 L N 0.482 121.696 121.223 -0.015 0.000 2.027 112 L HA -0.036 4.305 4.340 0.001 0.000 0.206 112 L C 1.541 178.378 176.870 -0.056 0.000 1.074 112 L CA 2.043 56.862 54.840 -0.035 0.000 0.745 112 L CB -0.874 41.163 42.059 -0.036 0.000 0.898 112 L HN 0.114 nan 8.230 nan 0.000 0.433 113 N N -0.244 118.421 118.700 -0.058 0.000 2.149 113 N HA -0.244 4.497 4.740 0.001 0.000 0.188 113 N C 1.789 177.189 175.510 -0.183 0.000 1.019 113 N CA 1.324 54.294 53.050 -0.134 0.000 0.857 113 N CB -0.203 38.235 38.487 -0.081 0.000 0.997 113 N HN 0.427 nan 8.380 nan 0.000 0.426 114 K N 1.812 122.198 120.400 -0.024 0.000 2.148 114 K HA -0.165 4.156 4.320 0.001 0.000 0.204 114 K C 1.904 178.567 176.600 0.105 0.000 1.050 114 K CA 1.215 57.557 56.287 0.092 0.000 0.942 114 K CB 0.129 32.691 32.500 0.104 0.000 0.724 114 K HN 0.115 nan 8.250 nan 0.000 0.446 115 K N 0.427 120.848 120.400 0.035 0.000 2.228 115 K HA -0.028 4.292 4.320 0.001 0.000 0.202 115 K C 1.834 178.466 176.600 0.053 0.000 1.051 115 K CA 0.893 57.207 56.287 0.045 0.000 0.960 115 K CB -0.257 32.242 32.500 -0.001 0.000 0.743 115 K HN 0.079 nan 8.250 nan 0.000 0.458 116 L N 0.051 121.270 121.223 -0.006 0.000 2.042 116 L HA -0.108 4.233 4.340 0.001 0.000 0.210 116 L C 2.335 179.392 176.870 0.312 0.000 1.076 116 L CA 1.608 56.497 54.840 0.081 0.000 0.749 116 L CB -0.560 41.490 42.059 -0.014 0.000 0.893 116 L HN 0.156 nan 8.230 nan 0.000 0.432 117 F N 0.230 120.363 119.950 0.305 0.000 2.113 117 F HA -0.233 4.295 4.527 0.001 0.000 0.297 117 F C 2.501 178.525 175.800 0.373 0.000 1.103 117 F CA 0.644 58.887 58.000 0.406 0.000 1.248 117 F CB -0.274 38.973 39.000 0.412 0.000 0.999 117 F HN 0.153 nan 8.300 nan 0.000 0.475 118 D N 0.521 121.182 120.400 0.435 0.000 2.104 118 D HA -0.179 4.461 4.640 0.001 0.000 0.194 118 D C 1.646 178.133 176.300 0.311 0.000 0.994 118 D CA 1.553 55.736 54.000 0.306 0.000 0.830 118 D CB -0.613 40.301 40.800 0.188 0.000 0.959 118 D HN 0.250 nan 8.370 nan 0.000 0.452 119 D N 0.269 120.846 120.400 0.296 0.000 2.097 119 D HA -0.111 4.530 4.640 0.001 0.000 0.195 119 D C 2.159 178.751 176.300 0.487 0.000 0.989 119 D CA 0.319 54.497 54.000 0.297 0.000 0.827 119 D CB -0.486 40.370 40.800 0.093 0.000 0.966 119 D HN 0.019 nan 8.370 nan 0.000 0.456 120 V N 0.592 120.887 119.914 0.634 0.000 2.407 120 V HA -0.187 3.934 4.120 0.001 0.000 0.248 120 V C 2.219 178.544 176.094 0.386 0.000 1.055 120 V CA 1.108 63.685 62.300 0.462 0.000 1.049 120 V CB -0.263 31.747 31.823 0.312 0.000 0.662 120 V HN 0.157 nan 8.190 nan 0.000 0.455 121 I N 0.254 121.107 120.570 0.471 0.000 2.226 121 I HA -0.214 3.957 4.170 0.001 0.000 0.245 121 I C 2.630 179.006 176.117 0.433 0.000 1.100 121 I CA 1.510 63.119 61.300 0.515 0.000 1.374 121 I CB -0.577 37.755 38.000 0.554 0.000 1.057 121 I HN 0.354 nan 8.210 nan 0.000 0.413 122 A N 0.564 123.588 122.820 0.340 0.000 1.933 122 A HA -0.153 4.168 4.320 0.001 0.000 0.218 122 A C 2.325 180.059 177.584 0.250 0.000 1.175 122 A CA 1.327 53.523 52.037 0.266 0.000 0.628 122 A CB -0.748 18.377 19.000 0.208 0.000 0.814 122 A HN 0.377 nan 8.150 nan 0.000 0.444 123 L N -0.766 120.613 121.223 0.260 0.000 2.056 123 L HA -0.152 4.189 4.340 0.001 0.000 0.207 123 L C 2.461 179.437 176.870 0.177 0.000 1.078 123 L CA 1.249 56.217 54.840 0.212 0.000 0.749 123 L CB -0.367 41.822 42.059 0.217 0.000 0.901 123 L HN 0.384 nan 8.230 nan 0.000 0.433 124 I N -0.019 120.661 120.570 0.183 0.000 2.286 124 I HA -0.327 3.844 4.170 0.001 0.000 0.248 124 I C 2.217 178.432 176.117 0.165 0.000 1.115 124 I CA 1.358 62.725 61.300 0.112 0.000 1.392 124 I CB -0.261 37.767 38.000 0.047 0.000 1.065 124 I HN 0.359 nan 8.210 nan 0.000 0.418 125 N N 0.208 119.109 118.700 0.336 0.000 2.216 125 N HA -0.144 4.596 4.740 0.001 0.000 0.183 125 N C 1.889 177.553 175.510 0.257 0.000 1.017 125 N CA 1.471 54.790 53.050 0.449 0.000 0.861 125 N CB 0.019 38.754 38.487 0.413 0.000 0.986 125 N HN 0.081 nan 8.380 nan 0.000 0.428 126 S N -0.087 115.730 115.700 0.195 0.000 2.365 126 S HA -0.172 4.299 4.470 0.001 0.000 0.225 126 S C 1.978 176.653 174.600 0.125 0.000 1.039 126 S CA 1.316 59.602 58.200 0.142 0.000 1.033 126 S CB -0.703 62.576 63.200 0.131 0.000 0.887 126 S HN 0.614 nan 8.310 nan 0.000 0.447 127 A N 0.654 123.548 122.820 0.124 0.000 1.972 127 A HA 0.399 4.720 4.320 0.001 0.000 0.219 127 A C 1.203 178.845 177.584 0.097 0.000 1.169 127 A CA 1.497 53.595 52.037 0.103 0.000 0.635 127 A CB -0.674 18.385 19.000 0.099 0.000 0.810 127 A HN 0.845 nan 8.150 nan 0.000 0.446 128 G N -2.631 106.243 108.800 0.123 0.000 2.369 128 G HA2 0.283 4.244 3.960 0.001 0.000 0.293 128 G HA3 0.283 4.244 3.960 0.001 0.000 0.293 128 G C -0.178 174.832 174.900 0.182 0.000 1.301 128 G CA -0.006 45.169 45.100 0.126 0.000 0.913 128 G HN -0.094 nan 8.290 nan 0.000 0.540 129 K N -0.376 120.133 120.400 0.181 0.000 2.314 129 K HA 0.153 4.473 4.320 0.001 0.000 0.198 129 K C 1.070 177.794 176.600 0.207 0.000 1.045 129 K CA 0.781 57.229 56.287 0.269 0.000 0.988 129 K CB -0.016 32.596 32.500 0.186 0.000 0.783 129 K HN 0.461 nan 8.250 nan 0.000 0.484 130 T N 2.349 116.971 114.554 0.113 0.000 2.729 130 T HA 0.305 4.656 4.350 0.001 0.000 0.296 130 T C -0.127 174.593 174.700 0.033 0.000 0.928 130 T CA -0.383 61.763 62.100 0.077 0.000 1.045 130 T CB 1.290 70.196 68.868 0.064 0.000 0.902 130 T HN -0.259 nan 8.240 nan 0.000 0.500 131 V N 2.931 122.853 119.914 0.012 0.000 2.409 131 V HA 0.679 4.799 4.120 0.001 0.000 0.291 131 V C 0.727 176.817 176.094 -0.007 0.000 1.020 131 V CA -1.048 61.227 62.300 -0.041 0.000 0.848 131 V CB 1.763 33.537 31.823 -0.081 0.000 0.990 131 V HN 0.974 nan 8.190 nan 0.000 0.430 132 G N 5.195 113.961 108.800 -0.057 0.000 2.329 132 G HA2 0.684 4.645 3.960 0.001 0.000 0.309 132 G HA3 0.684 4.645 3.960 0.001 0.000 0.309 132 G C -0.634 174.159 174.900 -0.180 0.000 1.110 132 G CA -0.336 44.735 45.100 -0.048 0.000 0.923 132 G HN 0.911 nan 8.290 nan 0.000 0.430 133 I N 0.575 121.079 120.570 -0.110 0.000 2.689 133 I HA 0.661 4.832 4.170 0.001 0.000 0.299 133 I C -2.881 173.206 176.117 -0.050 0.000 1.059 133 I CA -3.448 57.754 61.300 -0.163 0.000 1.055 133 I CB 3.001 40.947 38.000 -0.091 0.000 1.243 133 I HN 0.115 nan 8.210 nan 0.000 0.425 134 P HA 0.105 nan 4.420 nan 0.000 0.269 134 P C -0.047 177.296 177.300 0.072 0.000 1.252 134 P CA -0.003 63.142 63.100 0.075 0.000 0.780 134 P CB 0.576 32.385 31.700 0.182 0.000 0.829 135 E N 3.954 124.187 120.200 0.055 0.000 2.482 135 E HA -0.101 4.250 4.350 0.001 0.000 0.196 135 E C 0.702 177.337 176.600 0.058 0.000 1.047 135 E CA 0.641 57.077 56.400 0.060 0.000 0.869 135 E CB -0.084 29.644 29.700 0.047 0.000 0.836 135 E HN 0.280 nan 8.360 nan 0.000 0.520 136 K N 0.735 121.167 120.400 0.054 0.000 2.367 136 K HA 0.069 4.390 4.320 0.001 0.000 0.194 136 K C -0.307 176.307 176.600 0.023 0.000 1.027 136 K CA -0.107 56.203 56.287 0.038 0.000 1.075 136 K CB 0.332 32.854 32.500 0.036 0.000 0.845 136 K HN 0.124 nan 8.250 nan 0.000 0.529 137 D N 1.643 122.074 120.400 0.052 0.000 2.455 137 D HA -0.005 4.636 4.640 0.001 0.000 0.241 137 D C -0.227 176.064 176.300 -0.013 0.000 1.138 137 D CA 0.775 54.794 54.000 0.031 0.000 0.877 137 D CB 0.974 41.885 40.800 0.185 0.000 1.187 137 D HN -0.093 nan 8.370 nan 0.000 0.451 138 S N 2.460 118.034 115.700 -0.210 0.000 2.536 138 S HA 0.340 4.811 4.470 0.001 0.000 0.246 138 S C -1.738 172.683 174.600 -0.299 0.000 1.077 138 S CA -0.723 57.402 58.200 -0.125 0.000 1.091 138 S CB -0.352 62.798 63.200 -0.084 0.000 1.148 138 S HN 0.272 nan 8.310 nan 0.000 0.447 139 Y N 2.137 122.481 120.300 0.075 0.000 2.509 139 Y HA 0.721 5.272 4.550 0.001 0.000 0.341 139 Y C 0.511 176.465 175.900 0.090 0.000 1.038 139 Y CA -0.756 57.385 58.100 0.068 0.000 1.089 139 Y CB 1.595 40.093 38.460 0.064 0.000 1.241 139 Y HN 0.540 nan 8.280 nan 0.000 0.468 140 Q N 0.214 120.160 119.800 0.243 0.000 2.712 140 Q HA 0.829 5.169 4.340 0.001 0.000 0.267 140 Q C -0.132 175.978 176.000 0.182 0.000 1.062 140 Q CA -0.250 55.659 55.803 0.176 0.000 0.888 140 Q CB 2.121 30.927 28.738 0.113 0.000 1.374 140 Q HN 0.952 nan 8.270 nan 0.000 0.498 141 G N 0.086 108.975 108.800 0.149 0.000 2.498 141 G HA2 -0.208 3.753 3.960 0.001 0.000 0.651 141 G HA3 -0.208 3.753 3.960 0.001 0.000 0.651 141 G C -0.133 174.871 174.900 0.174 0.000 1.284 141 G CA 0.004 45.192 45.100 0.147 0.000 0.950 141 G HN 0.590 nan 8.290 nan 0.000 0.511 142 K N -0.785 119.723 120.400 0.179 0.000 2.076 142 K HA 0.157 4.478 4.320 0.001 0.000 0.204 142 K C 2.292 179.041 176.600 0.248 0.000 1.051 142 K CA 1.729 58.124 56.287 0.181 0.000 0.949 142 K CB -0.187 32.401 32.500 0.148 0.000 0.726 142 K HN 0.476 nan 8.250 nan 0.000 0.443 143 F N 1.556 121.592 119.950 0.142 0.000 2.120 143 F HA -0.233 4.295 4.527 0.001 0.000 0.300 143 F C 1.945 177.881 175.800 0.227 0.000 1.095 143 F CA 1.562 59.683 58.000 0.202 0.000 1.249 143 F CB 0.020 39.112 39.000 0.154 0.000 0.995 143 F HN 0.054 nan 8.300 nan 0.000 0.480 144 M N -0.095 119.711 119.600 0.344 0.000 2.254 144 M HA -0.090 4.390 4.480 0.001 0.000 0.265 144 M C 2.436 178.839 176.300 0.172 0.000 1.066 144 M CA 1.810 57.273 55.300 0.271 0.000 1.123 144 M CB -1.926 30.852 32.600 0.297 0.000 1.388 144 M HN 0.349 nan 8.290 nan 0.000 0.425 145 T N -1.755 112.886 114.554 0.144 0.000 2.867 145 T HA -0.092 4.259 4.350 0.001 0.000 0.268 145 T C 1.573 176.314 174.700 0.068 0.000 1.057 145 T CA 1.225 63.382 62.100 0.096 0.000 1.136 145 T CB -0.236 68.685 68.868 0.089 0.000 0.874 145 T HN 0.456 nan 8.240 nan 0.000 0.466 146 E N -0.035 120.216 120.200 0.085 0.000 2.051 146 E HA -0.090 4.260 4.350 0.001 0.000 0.192 146 E C 1.948 178.554 176.600 0.010 0.000 0.991 146 E CA 1.242 57.701 56.400 0.099 0.000 0.799 146 E CB -0.292 29.526 29.700 0.197 0.000 0.748 146 E HN 0.709 nan 8.360 nan 0.000 0.449 147 W N 2.139 123.221 121.300 -0.364 0.000 2.407 147 W HA -0.132 4.529 4.660 0.001 0.000 0.305 147 W C 1.481 177.848 176.519 -0.252 0.000 1.196 147 W CA 1.290 58.239 57.345 -0.661 0.000 1.311 147 W CB -0.340 28.599 29.460 -0.867 0.000 1.135 147 W HN 0.058 nan 8.180 nan 0.000 0.514 148 N N 0.917 119.499 118.700 -0.197 0.000 2.021 148 N HA -0.238 4.503 4.740 0.001 0.000 0.198 148 N C -1.011 174.358 175.510 -0.234 0.000 1.041 148 N CA 2.682 55.622 53.050 -0.183 0.000 0.862 148 N CB -1.488 37.008 38.487 0.014 0.000 1.048 148 N HN 0.086 nan 8.380 nan 0.000 0.427 149 P HA -0.059 nan 4.420 nan 0.000 0.218 149 P C 1.330 178.511 177.300 -0.199 0.000 1.149 149 P CA 1.019 64.033 63.100 -0.142 0.000 0.817 149 P CB 0.050 31.703 31.700 -0.078 0.000 0.785 150 V N -0.477 119.274 119.914 -0.272 0.000 2.379 150 V HA -0.156 3.965 4.120 0.001 0.000 0.245 150 V C 2.452 178.332 176.094 -0.357 0.000 1.044 150 V CA 1.544 63.686 62.300 -0.263 0.000 1.036 150 V CB -1.398 30.308 31.823 -0.194 0.000 0.664 150 V HN 0.221 nan 8.190 nan 0.000 0.453 151 W N 1.206 121.954 121.300 -0.920 0.000 2.381 151 W HA -0.145 4.515 4.660 0.001 0.000 0.301 151 W C 2.242 178.558 176.519 -0.338 0.000 1.205 151 W CA 1.630 58.493 57.345 -0.802 0.000 1.285 151 W CB 0.088 28.827 29.460 -1.201 0.000 1.133 151 W HN 0.352 nan 8.180 nan 0.000 0.521 152 E N 0.443 120.429 120.200 -0.356 0.000 2.110 152 E HA -0.193 4.157 4.350 0.001 0.000 0.193 152 E C 2.373 178.782 176.600 -0.319 0.000 0.988 152 E CA 1.466 57.675 56.400 -0.317 0.000 0.804 152 E CB -0.397 29.205 29.700 -0.163 0.000 0.745 152 E HN 0.239 nan 8.360 nan 0.000 0.458 153 A N 1.278 123.937 122.820 -0.268 0.000 1.930 153 A HA -0.034 4.287 4.320 0.001 0.000 0.217 153 A C 2.357 179.772 177.584 -0.281 0.000 1.175 153 A CA 1.463 53.365 52.037 -0.224 0.000 0.627 153 A CB -0.508 18.397 19.000 -0.158 0.000 0.815 153 A HN 0.286 nan 8.150 nan 0.000 0.443 154 A N -0.522 122.097 122.820 -0.334 0.000 1.930 154 A HA 0.036 4.356 4.320 0.001 0.000 0.217 154 A C 2.203 179.426 177.584 -0.602 0.000 1.175 154 A CA 1.646 53.461 52.037 -0.371 0.000 0.627 154 A CB -0.869 18.041 19.000 -0.150 0.000 0.815 154 A HN 0.348 nan 8.150 nan 0.000 0.443 155 V N 0.228 119.760 119.914 -0.636 0.000 2.287 155 V HA -0.285 3.836 4.120 0.001 0.000 0.248 155 V C 2.436 178.307 176.094 -0.372 0.000 1.053 155 V CA 2.438 64.441 62.300 -0.495 0.000 1.027 155 V CB -0.619 30.886 31.823 -0.531 0.000 0.646 155 V HN 0.555 nan 8.190 nan 0.000 0.447 156 K N -0.535 119.677 120.400 -0.314 0.000 2.155 156 K HA -0.105 4.216 4.320 0.001 0.000 0.203 156 K C 2.047 178.511 176.600 -0.227 0.000 1.052 156 K CA 1.212 57.364 56.287 -0.225 0.000 0.948 156 K CB -0.050 32.346 32.500 -0.174 0.000 0.728 156 K HN 0.543 nan 8.250 nan 0.000 0.448 157 E N 0.156 120.192 120.200 -0.273 0.000 2.276 157 E HA 0.006 4.356 4.350 0.001 0.000 0.193 157 E C 1.092 177.518 176.600 -0.290 0.000 0.983 157 E CA 0.343 56.602 56.400 -0.234 0.000 0.861 157 E CB 0.301 29.884 29.700 -0.196 0.000 0.817 157 E HN 0.166 nan 8.360 nan 0.000 0.485 158 N N 0.647 119.060 118.700 -0.478 0.000 2.236 158 N HA 0.013 4.754 4.740 0.001 0.000 0.196 158 N C -0.596 174.597 175.510 -0.528 0.000 1.114 158 N CA 0.250 52.925 53.050 -0.625 0.000 0.859 158 N CB 0.692 38.415 38.487 -1.272 0.000 0.982 158 N HN 0.050 nan 8.380 nan 0.000 0.493 159 E N -0.472 119.507 120.200 -0.367 0.000 2.586 159 E HA -0.206 4.145 4.350 0.001 0.000 0.259 159 E C -0.936 175.627 176.600 -0.061 0.000 1.107 159 E CA 0.210 56.502 56.400 -0.180 0.000 0.754 159 E CB -1.845 27.794 29.700 -0.102 0.000 1.335 159 E HN 0.372 nan 8.360 nan 0.000 0.411 160 F N 0.876 120.772 119.950 -0.090 0.000 2.578 160 F HA -0.001 4.527 4.527 0.001 0.000 0.376 160 F C 1.572 177.355 175.800 -0.029 0.000 1.085 160 F CA -0.126 57.842 58.000 -0.054 0.000 1.260 160 F CB 0.399 39.336 39.000 -0.106 0.000 1.095 160 F HN 0.050 nan 8.300 nan 0.000 0.573 161 N N 3.972 122.805 118.700 0.223 0.000 2.500 161 N HA 0.219 4.960 4.740 0.001 0.000 0.236 161 N C -1.336 174.252 175.510 0.129 0.000 1.022 161 N CA -0.331 52.797 53.050 0.131 0.000 0.935 161 N CB 0.855 39.397 38.487 0.092 0.000 1.147 161 N HN 0.272 nan 8.380 nan 0.000 0.512 162 V N 5.898 125.893 119.914 0.134 0.000 2.432 162 V HA 0.351 4.472 4.120 0.001 0.000 0.275 162 V C 0.544 176.697 176.094 0.099 0.000 1.043 162 V CA -0.489 61.899 62.300 0.147 0.000 0.925 162 V CB 0.683 32.636 31.823 0.217 0.000 0.985 162 V HN 0.515 nan 8.190 nan 0.000 0.466 163 I N 0.654 121.271 120.570 0.078 0.000 2.689 163 I HA 0.685 4.855 4.170 0.001 0.000 0.299 163 I C -0.500 175.643 176.117 0.044 0.000 1.059 163 I CA -0.954 60.379 61.300 0.055 0.000 1.055 163 I CB 2.051 40.081 38.000 0.051 0.000 1.243 163 I HN 0.403 nan 8.210 nan 0.000 0.425 164 D N 4.114 124.531 120.400 0.027 0.000 2.414 164 D HA 0.236 4.876 4.640 0.001 0.000 0.242 164 D C 0.481 176.782 176.300 0.002 0.000 1.129 164 D CA 0.080 54.086 54.000 0.011 0.000 0.885 164 D CB 0.967 41.763 40.800 -0.005 0.000 1.198 164 D HN 0.662 nan 8.370 nan 0.000 0.437 165 I N -0.330 120.236 120.570 -0.007 0.000 4.102 165 I HA 0.200 4.371 4.170 0.001 0.000 0.325 165 I C 1.095 177.102 176.117 -0.182 0.000 1.471 165 I CA -0.541 60.736 61.300 -0.040 0.000 1.133 165 I CB 0.433 38.520 38.000 0.145 0.000 1.184 165 I HN 0.046 nan 8.210 nan 0.000 0.451 166 S N 1.687 117.320 115.700 -0.113 0.000 2.359 166 S HA -0.148 4.323 4.470 0.001 0.000 0.224 166 S C 1.824 176.293 174.600 -0.218 0.000 1.035 166 S CA 1.988 60.126 58.200 -0.104 0.000 1.018 166 S CB -0.295 62.890 63.200 -0.024 0.000 0.876 166 S HN 0.590 nan 8.310 nan 0.000 0.448 167 L N 1.994 123.078 121.223 -0.231 0.000 2.012 167 L HA -0.017 4.323 4.340 0.001 0.000 0.210 167 L C 2.272 178.866 176.870 -0.460 0.000 1.073 167 L CA 2.183 56.868 54.840 -0.258 0.000 0.748 167 L CB -1.292 40.644 42.059 -0.206 0.000 0.891 167 L HN 0.313 nan 8.230 nan 0.000 0.431 168 G N -0.711 107.621 108.800 -0.779 0.000 2.432 168 G HA2 -0.203 3.758 3.960 0.001 0.000 0.219 168 G HA3 -0.203 3.758 3.960 0.001 0.000 0.219 168 G C 1.601 175.730 174.900 -1.284 0.000 1.135 168 G CA 0.972 45.214 45.100 -1.429 0.000 0.767 168 G HN 0.442 nan 8.290 nan 0.000 0.550 169 L N 0.485 121.098 121.223 -1.016 0.000 2.093 169 L HA -0.059 4.282 4.340 0.001 0.000 0.208 169 L C 3.087 179.073 176.870 -1.474 0.000 1.085 169 L CA 1.129 55.315 54.840 -1.089 0.000 0.755 169 L CB -0.393 41.120 42.059 -0.910 0.000 0.904 169 L HN 0.325 nan 8.230 nan 0.000 0.435 170 S N 0.032 115.236 115.700 -0.826 0.000 2.359 170 S HA -0.215 4.255 4.470 0.001 0.000 0.224 170 S C 2.012 176.377 174.600 -0.392 0.000 1.035 170 S CA 1.525 59.446 58.200 -0.464 0.000 1.018 170 S CB -0.005 63.105 63.200 -0.150 0.000 0.876 170 S HN 0.337 nan 8.310 nan 0.000 0.448 171 K N 0.214 120.403 120.400 -0.352 0.000 2.097 171 K HA 0.009 4.330 4.320 0.001 0.000 0.205 171 K C 2.045 178.530 176.600 -0.190 0.000 1.050 171 K CA 1.225 57.398 56.287 -0.189 0.000 0.938 171 K CB -0.324 32.088 32.500 -0.146 0.000 0.718 171 K HN 0.225 nan 8.250 nan 0.000 0.442 172 V N 0.835 120.544 119.914 -0.341 0.000 2.287 172 V HA -0.210 3.911 4.120 0.001 0.000 0.248 172 V C 1.664 177.647 176.094 -0.186 0.000 1.053 172 V CA 1.917 64.091 62.300 -0.210 0.000 1.027 172 V CB -0.424 31.276 31.823 -0.205 0.000 0.646 172 V HN 0.594 nan 8.190 nan 0.000 0.447 173 W N -0.183 120.888 121.300 -0.381 0.000 3.123 173 W HA 0.365 5.026 4.660 0.002 0.000 0.383 173 W C 1.480 177.887 176.519 -0.188 0.000 1.102 173 W CA -0.501 56.546 57.345 -0.497 0.000 1.865 173 W CB -0.922 27.737 29.460 -1.336 0.000 1.111 173 W HN 0.306 nan 8.180 nan 0.000 0.621 174 E N 1.266 121.553 120.200 0.145 0.000 2.077 174 E HA -0.118 4.233 4.350 0.001 0.000 0.193 174 E C -0.060 176.582 176.600 0.070 0.000 0.989 174 E CA 1.118 57.588 56.400 0.116 0.000 0.800 174 E CB 0.100 29.851 29.700 0.086 0.000 0.746 174 E HN 0.058 nan 8.360 nan 0.000 0.452 175 V N 3.070 123.045 119.914 0.102 0.000 2.461 175 V HA 0.105 4.225 4.120 0.001 0.000 0.275 175 V C 0.016 176.182 176.094 0.119 0.000 1.047 175 V CA -0.305 62.044 62.300 0.081 0.000 0.955 175 V CB 1.405 33.281 31.823 0.088 0.000 0.988 175 V HN 0.090 nan 8.190 nan 0.000 0.471 176 K N 4.029 124.469 120.400 0.066 0.000 2.258 176 K HA 0.291 4.611 4.320 0.001 0.000 0.284 176 K C -0.151 176.476 176.600 0.046 0.000 1.051 176 K CA -0.479 55.851 56.287 0.071 0.000 0.923 176 K CB 1.379 33.882 32.500 0.005 0.000 1.046 176 K HN 0.912 nan 8.250 nan 0.000 0.474 177 D N 0.224 120.662 120.400 0.063 0.000 2.414 177 D HA -0.041 4.600 4.640 0.001 0.000 0.251 177 D C 1.299 177.564 176.300 -0.058 0.000 1.252 177 D CA -0.539 53.473 54.000 0.019 0.000 0.999 177 D CB 0.388 41.214 40.800 0.043 0.000 1.093 177 D HN 0.166 nan 8.370 nan 0.000 0.515 178 V N -1.871 118.000 119.914 -0.071 0.000 2.626 178 V HA -0.176 3.945 4.120 0.001 0.000 0.252 178 V C 1.528 177.488 176.094 -0.224 0.000 1.067 178 V CA 1.501 63.730 62.300 -0.117 0.000 1.081 178 V CB -0.931 30.840 31.823 -0.085 0.000 0.686 178 V HN 0.403 nan 8.190 nan 0.000 0.468 179 N N 0.934 119.473 118.700 -0.268 0.000 2.171 179 N HA -0.093 4.648 4.740 0.001 0.000 0.184 179 N C 1.884 176.973 175.510 -0.702 0.000 1.021 179 N CA 1.832 54.556 53.050 -0.544 0.000 0.854 179 N CB -0.319 37.885 38.487 -0.471 0.000 0.994 179 N HN 0.684 nan 8.380 nan 0.000 0.426 180 E N 0.936 120.905 120.200 -0.386 0.000 2.058 180 E HA -0.191 4.160 4.350 0.001 0.000 0.194 180 E C 1.909 178.249 176.600 -0.433 0.000 0.997 180 E CA 0.953 57.067 56.400 -0.477 0.000 0.801 180 E CB -0.148 29.410 29.700 -0.237 0.000 0.746 180 E HN 0.460 nan 8.360 nan 0.000 0.450 181 Q N 0.292 119.932 119.800 -0.266 0.000 2.096 181 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 181 Q C 2.260 178.144 176.000 -0.192 0.000 0.982 181 Q CA 1.464 57.160 55.803 -0.179 0.000 0.850 181 Q CB -0.228 28.435 28.738 -0.125 0.000 0.901 181 Q HN 0.251 nan 8.270 nan 0.000 0.422 182 A N 0.391 123.033 122.820 -0.296 0.000 1.902 182 A HA -0.152 4.169 4.320 0.001 0.000 0.217 182 A C 1.827 179.274 177.584 -0.229 0.000 1.181 182 A CA 1.086 52.945 52.037 -0.296 0.000 0.623 182 A CB -0.872 17.881 19.000 -0.411 0.000 0.818 182 A HN 0.359 nan 8.150 nan 0.000 0.443 183 F N -0.060 119.775 119.950 -0.191 0.000 2.134 183 F HA -0.168 4.360 4.527 0.001 0.000 0.299 183 F C 2.128 177.932 175.800 0.008 0.000 1.097 183 F CA 0.937 58.888 58.000 -0.082 0.000 1.264 183 F CB -0.355 38.498 39.000 -0.246 0.000 1.001 183 F HN 0.117 nan 8.300 nan 0.000 0.479 184 L N -0.090 121.178 121.223 0.076 0.000 2.083 184 L HA -0.226 4.114 4.340 0.001 0.000 0.209 184 L C 2.688 179.616 176.870 0.097 0.000 1.083 184 L CA 1.513 56.422 54.840 0.115 0.000 0.752 184 L CB -0.836 41.255 42.059 0.053 0.000 0.899 184 L HN 0.211 nan 8.230 nan 0.000 0.433 185 S N -0.887 114.836 115.700 0.039 0.000 2.382 185 S HA -0.125 4.346 4.470 0.001 0.000 0.228 185 S C 1.884 176.504 174.600 0.034 0.000 1.027 185 S CA 1.160 59.377 58.200 0.029 0.000 0.991 185 S CB -0.723 62.469 63.200 -0.014 0.000 0.823 185 S HN 0.178 nan 8.310 nan 0.000 0.469 186 V N 1.557 121.494 119.914 0.038 0.000 2.323 186 V HA -0.105 4.016 4.120 0.001 0.000 0.244 186 V C 2.949 179.074 176.094 0.052 0.000 1.041 186 V CA 1.773 64.061 62.300 -0.020 0.000 1.025 186 V CB -1.349 30.393 31.823 -0.134 0.000 0.656 186 V HN 0.623 nan 8.190 nan 0.000 0.451 187 S N 0.139 115.942 115.700 0.172 0.000 2.368 187 S HA -0.268 4.202 4.470 0.001 0.000 0.226 187 S C 2.237 176.918 174.600 0.134 0.000 1.044 187 S CA 2.456 60.773 58.200 0.196 0.000 1.062 187 S CB -0.345 62.999 63.200 0.239 0.000 0.931 187 S HN 0.641 nan 8.310 nan 0.000 0.440 188 S N 0.615 116.392 115.700 0.129 0.000 2.387 188 S HA -0.016 4.455 4.470 0.001 0.000 0.226 188 S C 1.827 176.503 174.600 0.127 0.000 1.026 188 S CA 1.312 59.593 58.200 0.134 0.000 0.972 188 S CB -0.331 62.948 63.200 0.132 0.000 0.814 188 S HN 0.487 nan 8.310 nan 0.000 0.477 189 K N 1.965 122.420 120.400 0.091 0.000 2.097 189 K HA -0.002 4.319 4.320 0.001 0.000 0.206 189 K C 1.974 178.628 176.600 0.090 0.000 1.049 189 K CA 1.547 57.876 56.287 0.071 0.000 0.933 189 K CB -1.096 31.409 32.500 0.008 0.000 0.717 189 K HN 0.276 nan 8.250 nan 0.000 0.442 190 G N -0.403 108.457 108.800 0.101 0.000 2.440 190 G HA2 -0.236 3.725 3.960 0.001 0.000 0.218 190 G HA3 -0.236 3.725 3.960 0.001 0.000 0.218 190 G C 1.585 176.642 174.900 0.262 0.000 1.154 190 G CA 1.111 46.316 45.100 0.175 0.000 0.767 190 G HN 0.382 nan 8.290 nan 0.000 0.552 191 S N 0.893 116.698 115.700 0.176 0.000 2.370 191 S HA -0.123 4.348 4.470 0.001 0.000 0.226 191 S C 2.007 176.739 174.600 0.221 0.000 1.033 191 S CA 1.459 59.779 58.200 0.201 0.000 1.011 191 S CB -0.288 63.014 63.200 0.171 0.000 0.852 191 S HN 0.358 nan 8.310 nan 0.000 0.457 192 D N 1.157 121.670 120.400 0.187 0.000 2.117 192 D HA -0.047 4.593 4.640 0.001 0.000 0.197 192 D C 2.012 178.375 176.300 0.106 0.000 0.987 192 D CA 0.962 55.062 54.000 0.167 0.000 0.829 192 D CB -0.159 40.766 40.800 0.208 0.000 0.961 192 D HN 0.343 nan 8.370 nan 0.000 0.460 193 K N -0.211 120.270 120.400 0.135 0.000 2.057 193 K HA -0.091 4.230 4.320 0.001 0.000 0.207 193 K C 2.224 178.897 176.600 0.121 0.000 1.049 193 K CA 0.687 57.016 56.287 0.071 0.000 0.931 193 K CB -0.334 32.136 32.500 -0.050 0.000 0.714 193 K HN 0.183 nan 8.250 nan 0.000 0.440 194 F N 0.814 120.875 119.950 0.186 0.000 2.186 194 F HA -0.141 4.387 4.527 0.001 0.000 0.299 194 F C 2.544 178.396 175.800 0.086 0.000 1.090 194 F CA 0.862 58.998 58.000 0.227 0.000 1.307 194 F CB -0.264 38.911 39.000 0.291 0.000 1.019 194 F HN -0.026 nan 8.300 nan 0.000 0.489 195 M N 0.712 120.394 119.600 0.137 0.000 2.117 195 M HA -0.194 4.286 4.480 0.001 0.000 0.262 195 M C 1.751 177.829 176.300 -0.369 0.000 1.065 195 M CA 1.765 57.005 55.300 -0.099 0.000 1.114 195 M CB -0.693 31.781 32.600 -0.211 0.000 1.361 195 M HN 0.095 nan 8.290 nan 0.000 0.408 196 D N -0.520 119.580 120.400 -0.499 0.000 2.104 196 D HA -0.217 4.424 4.640 0.001 0.000 0.194 196 D C 1.933 178.213 176.300 -0.033 0.000 0.994 196 D CA 1.712 55.580 54.000 -0.220 0.000 0.830 196 D CB -0.256 40.586 40.800 0.070 0.000 0.959 196 D HN 0.394 nan 8.370 nan 0.000 0.452 197 L N 0.189 121.407 121.223 -0.008 0.000 2.012 197 L HA -0.069 4.271 4.340 0.001 0.000 0.210 197 L C 2.305 179.132 176.870 -0.071 0.000 1.073 197 L CA 1.531 56.346 54.840 -0.042 0.000 0.748 197 L CB -0.744 41.225 42.059 -0.151 0.000 0.891 197 L HN 0.294 nan 8.230 nan 0.000 0.431 198 L N -1.274 119.925 121.223 -0.039 0.000 1.989 198 L HA -0.258 4.083 4.340 0.001 0.000 0.211 198 L C 2.711 179.483 176.870 -0.163 0.000 1.071 198 L CA 1.931 56.740 54.840 -0.053 0.000 0.749 198 L CB -0.503 41.576 42.059 0.033 0.000 0.890 198 L HN 0.536 nan 8.230 nan 0.000 0.431 199 S N 0.072 115.638 115.700 -0.222 0.000 2.359 199 S HA -0.226 4.245 4.470 0.001 0.000 0.224 199 S C 1.780 176.188 174.600 -0.321 0.000 1.035 199 S CA 1.889 59.815 58.200 -0.456 0.000 1.018 199 S CB -0.432 62.607 63.200 -0.269 0.000 0.876 199 S HN 0.595 nan 8.310 nan 0.000 0.448 200 N N 1.407 120.016 118.700 -0.153 0.000 2.120 200 N HA -0.054 4.687 4.740 0.001 0.000 0.188 200 N C 1.726 177.146 175.510 -0.150 0.000 1.024 200 N CA 1.289 54.264 53.050 -0.125 0.000 0.852 200 N CB -0.551 37.911 38.487 -0.041 0.000 1.003 200 N HN 0.531 nan 8.380 nan 0.000 0.424 201 E N 0.475 120.590 120.200 -0.142 0.000 2.152 201 E HA -0.086 4.265 4.350 0.001 0.000 0.192 201 E C 1.849 178.360 176.600 -0.149 0.000 0.983 201 E CA 0.309 56.633 56.400 -0.128 0.000 0.818 201 E CB -0.180 29.452 29.700 -0.113 0.000 0.758 201 E HN 0.324 nan 8.360 nan 0.000 0.467 202 M N 0.848 120.328 119.600 -0.199 0.000 2.175 202 M HA -0.100 4.381 4.480 0.001 0.000 0.264 202 M C 2.031 178.184 176.300 -0.245 0.000 1.063 202 M CA 1.053 56.224 55.300 -0.216 0.000 1.119 202 M CB -0.169 32.273 32.600 -0.264 0.000 1.377 202 M HN -0.086 nan 8.290 nan 0.000 0.415 203 V N 0.204 119.929 119.914 -0.315 0.000 2.379 203 V HA -0.202 3.918 4.120 0.001 0.000 0.245 203 V C 2.547 178.578 176.094 -0.106 0.000 1.044 203 V CA 1.719 63.850 62.300 -0.281 0.000 1.036 203 V CB -0.880 30.631 31.823 -0.520 0.000 0.664 203 V HN 0.503 nan 8.190 nan 0.000 0.453 204 R N 0.364 120.796 120.500 -0.113 0.000 2.083 204 R HA -0.195 4.146 4.340 0.001 0.000 0.237 204 R C 2.338 178.590 176.300 -0.080 0.000 1.137 204 R CA 1.750 57.811 56.100 -0.066 0.000 0.951 204 R CB -0.474 29.786 30.300 -0.066 0.000 0.851 204 R HN 0.484 nan 8.270 nan 0.000 0.434 205 A N 0.177 122.931 122.820 -0.112 0.000 1.908 205 A HA -0.145 4.176 4.320 0.001 0.000 0.218 205 A C 2.259 179.745 177.584 -0.164 0.000 1.181 205 A CA 1.846 53.811 52.037 -0.120 0.000 0.627 205 A CB -0.565 18.364 19.000 -0.118 0.000 0.818 205 A HN 0.248 nan 8.150 nan 0.000 0.445 206 V N 0.261 120.034 119.914 -0.235 0.000 2.323 206 V HA -0.212 3.908 4.120 0.001 0.000 0.244 206 V C 2.355 178.202 176.094 -0.411 0.000 1.041 206 V CA 2.353 64.398 62.300 -0.426 0.000 1.025 206 V CB -0.785 30.600 31.823 -0.731 0.000 0.656 206 V HN 0.700 nan 8.190 nan 0.000 0.451 207 D N 0.359 120.651 120.400 -0.179 0.000 2.117 207 D HA -0.175 4.465 4.640 0.001 0.000 0.197 207 D C 1.980 178.279 176.300 -0.002 0.000 0.987 207 D CA 1.334 55.379 54.000 0.074 0.000 0.829 207 D CB -0.038 40.910 40.800 0.248 0.000 0.961 207 D HN 0.553 nan 8.370 nan 0.000 0.460 208 E N -0.141 120.035 120.200 -0.040 0.000 2.479 208 E HA 0.054 4.405 4.350 0.001 0.000 0.193 208 E C -0.273 176.292 176.600 -0.059 0.000 1.049 208 E CA 0.069 56.447 56.400 -0.037 0.000 0.870 208 E CB 0.255 29.936 29.700 -0.032 0.000 0.944 208 E HN 0.358 nan 8.360 nan 0.000 0.492 209 E N 0.691 120.834 120.200 -0.095 0.000 2.513 209 E HA -0.205 4.145 4.350 0.001 0.000 0.257 209 E C -0.474 176.077 176.600 -0.082 0.000 1.098 209 E CA 0.002 56.341 56.400 -0.101 0.000 0.752 209 E CB -1.748 27.906 29.700 -0.077 0.000 1.324 209 E HN 0.352 nan 8.360 nan 0.000 0.403 210 L N 0.902 122.075 121.223 -0.083 0.000 2.525 210 L HA 0.030 4.370 4.340 0.001 0.000 0.278 210 L C 1.108 177.941 176.870 -0.060 0.000 1.218 210 L CA 0.692 55.492 54.840 -0.065 0.000 0.878 210 L CB 0.143 42.162 42.059 -0.066 0.000 1.127 210 L HN 0.092 nan 8.230 nan 0.000 0.492 211 K N 5.587 125.959 120.400 -0.047 0.000 2.220 211 K HA 0.438 4.759 4.320 0.001 0.000 0.283 211 K C -0.952 175.625 176.600 -0.038 0.000 1.098 211 K CA -0.114 56.150 56.287 -0.039 0.000 0.928 211 K CB 0.273 32.755 32.500 -0.031 0.000 1.214 211 K HN 0.548 nan 8.250 nan 0.000 0.442 212 I N 3.167 123.713 120.570 -0.040 0.000 2.743 212 I HA 0.142 4.313 4.170 0.001 0.000 0.292 212 I C -0.512 175.585 176.117 -0.033 0.000 1.343 212 I CA -0.454 60.823 61.300 -0.039 0.000 1.038 212 I CB 2.344 40.316 38.000 -0.048 0.000 1.311 212 I HN 0.694 nan 8.210 nan 0.000 0.426 213 T N 1.606 116.142 114.554 -0.030 0.000 2.899 213 T HA 0.332 4.683 4.350 0.001 0.000 0.284 213 T C 0.884 175.568 174.700 -0.026 0.000 1.004 213 T CA -0.263 61.821 62.100 -0.025 0.000 1.043 213 T CB 1.116 69.968 68.868 -0.026 0.000 1.013 213 T HN 0.721 nan 8.240 nan 0.000 0.518 214 N N 0.968 119.656 118.700 -0.020 0.000 2.060 214 N HA -0.197 4.544 4.740 0.001 0.000 0.195 214 N C 2.184 177.679 175.510 -0.024 0.000 1.028 214 N CA 1.507 54.548 53.050 -0.015 0.000 0.861 214 N CB -0.397 38.083 38.487 -0.012 0.000 1.029 214 N HN 0.793 nan 8.380 nan 0.000 0.428 215 A N 0.792 123.594 122.820 -0.030 0.000 1.930 215 A HA -0.110 4.211 4.320 0.001 0.000 0.217 215 A C 2.113 179.668 177.584 -0.048 0.000 1.175 215 A CA 1.377 53.391 52.037 -0.039 0.000 0.627 215 A CB -0.335 18.644 19.000 -0.036 0.000 0.815 215 A HN 0.146 nan 8.150 nan 0.000 0.443 216 K N -0.730 119.645 120.400 -0.042 0.000 2.155 216 K HA 0.004 4.325 4.320 0.001 0.000 0.203 216 K C 1.695 178.264 176.600 -0.051 0.000 1.052 216 K CA 0.866 57.125 56.287 -0.045 0.000 0.948 216 K CB -0.322 32.155 32.500 -0.039 0.000 0.728 216 K HN 0.297 nan 8.250 nan 0.000 0.448 217 L N 0.717 121.911 121.223 -0.049 0.000 2.017 217 L HA -0.129 4.211 4.340 0.001 0.000 0.208 217 L C 2.011 178.845 176.870 -0.061 0.000 1.073 217 L CA 2.372 57.180 54.840 -0.054 0.000 0.745 217 L CB -1.008 41.023 42.059 -0.048 0.000 0.894 217 L HN 0.374 nan 8.230 nan 0.000 0.432 218 S N -2.003 113.658 115.700 -0.065 0.000 2.423 218 S HA -0.156 4.314 4.470 0.001 0.000 0.231 218 S C 1.721 176.233 174.600 -0.147 0.000 1.014 218 S CA 1.036 59.177 58.200 -0.098 0.000 0.965 218 S CB -0.672 62.475 63.200 -0.089 0.000 0.785 218 S HN 0.475 nan 8.310 nan 0.000 0.495 219 D N 1.635 121.966 120.400 -0.115 0.000 2.144 219 D HA -0.004 4.637 4.640 0.001 0.000 0.200 219 D C 1.941 178.192 176.300 -0.082 0.000 0.978 219 D CA 1.010 54.943 54.000 -0.112 0.000 0.833 219 D CB -0.194 40.558 40.800 -0.079 0.000 0.961 219 D HN 0.422 nan 8.370 nan 0.000 0.470 220 K N 0.185 120.546 120.400 -0.065 0.000 2.097 220 K HA -0.117 4.204 4.320 0.001 0.000 0.206 220 K C 1.775 178.356 176.600 -0.031 0.000 1.049 220 K CA 0.718 56.975 56.287 -0.049 0.000 0.933 220 K CB 0.056 32.522 32.500 -0.057 0.000 0.717 220 K HN 0.083 nan 8.250 nan 0.000 0.442 221 I N 1.427 121.979 120.570 -0.030 0.000 2.202 221 I HA -0.214 3.957 4.170 0.001 0.000 0.242 221 I C 2.369 178.587 176.117 0.167 0.000 1.091 221 I CA 1.315 62.652 61.300 0.063 0.000 1.368 221 I CB -1.318 36.711 38.000 0.048 0.000 1.058 221 I HN 0.313 nan 8.210 nan 0.000 0.410 222 E N 1.368 121.506 120.200 -0.102 0.000 2.049 222 E HA -0.267 4.084 4.350 0.001 0.000 0.198 222 E C 1.893 178.642 176.600 0.249 0.000 1.007 222 E CA 1.799 58.072 56.400 -0.212 0.000 0.809 222 E CB 0.009 29.425 29.700 -0.474 0.000 0.749 222 E HN 0.404 nan 8.360 nan 0.000 0.450 223 N N 0.454 119.225 118.700 0.118 0.000 2.289 223 N HA -0.127 4.614 4.740 0.001 0.000 0.184 223 N C 1.376 176.990 175.510 0.174 0.000 1.016 223 N CA 0.697 53.823 53.050 0.126 0.000 0.872 223 N CB -0.091 38.422 38.487 0.042 0.000 0.973 223 N HN 0.111 nan 8.380 nan 0.000 0.433 224 K N 1.239 121.764 120.400 0.209 0.000 2.360 224 K HA -0.007 4.314 4.320 0.001 0.000 0.201 224 K C 1.814 178.659 176.600 0.408 0.000 1.046 224 K CA 0.105 56.487 56.287 0.159 0.000 0.945 224 K CB -0.354 32.050 32.500 -0.161 0.000 0.750 224 K HN 0.318 nan 8.250 nan 0.000 0.464 225 I N 1.271 122.146 120.570 0.509 0.000 2.700 225 I HA -0.242 3.929 4.170 0.001 0.000 0.261 225 I C 0.688 176.919 176.117 0.189 0.000 1.219 225 I CA 1.252 62.767 61.300 0.357 0.000 1.463 225 I CB 0.175 38.193 38.000 0.029 0.000 1.092 225 I HN 0.061 nan 8.210 nan 0.000 0.452 226 D N -0.141 120.352 120.400 0.155 0.000 2.367 226 D HA -0.043 4.598 4.640 0.001 0.000 0.207 226 D C 0.505 176.834 176.300 0.048 0.000 1.034 226 D CA 0.271 54.315 54.000 0.074 0.000 0.861 226 D CB -0.228 40.609 40.800 0.063 0.000 0.943 226 D HN 0.251 nan 8.370 nan 0.000 0.515 227 D N 1.524 121.975 120.400 0.085 0.000 2.357 227 D HA -0.051 4.590 4.640 0.001 0.000 0.265 227 D C 1.452 177.768 176.300 0.028 0.000 1.334 227 D CA -0.039 53.999 54.000 0.064 0.000 0.984 227 D CB 0.803 41.653 40.800 0.083 0.000 1.077 227 D HN -0.244 nan 8.370 nan 0.000 0.514 228 V N 4.797 124.688 119.914 -0.038 0.000 2.317 228 V HA -0.299 3.822 4.120 0.001 0.000 0.251 228 V C 2.495 178.535 176.094 -0.091 0.000 1.065 228 V CA 2.343 64.571 62.300 -0.120 0.000 1.049 228 V CB -0.473 31.303 31.823 -0.079 0.000 0.651 228 V HN 0.649 nan 8.190 nan 0.000 0.450 229 K N -0.496 119.897 120.400 -0.012 0.000 1.991 229 K HA -0.275 4.046 4.320 0.001 0.000 0.212 229 K C 2.174 178.795 176.600 0.036 0.000 1.049 229 K CA 2.462 58.760 56.287 0.017 0.000 0.932 229 K CB -0.488 32.036 32.500 0.039 0.000 0.717 229 K HN 0.410 nan 8.250 nan 0.000 0.441 230 F N 1.567 121.464 119.950 -0.087 0.000 2.126 230 F HA -0.170 4.358 4.527 0.001 0.000 0.299 230 F C 1.781 177.512 175.800 -0.116 0.000 1.096 230 F CA 1.258 59.191 58.000 -0.113 0.000 1.255 230 F CB -0.004 38.914 39.000 -0.136 0.000 0.997 230 F HN 0.027 nan 8.300 nan 0.000 0.479 231 L N 0.101 121.258 121.223 -0.110 0.000 2.042 231 L HA -0.272 4.069 4.340 0.001 0.000 0.210 231 L C 2.345 179.131 176.870 -0.140 0.000 1.076 231 L CA 1.653 56.340 54.840 -0.254 0.000 0.749 231 L CB -0.701 40.977 42.059 -0.635 0.000 0.893 231 L HN 0.099 nan 8.230 nan 0.000 0.432 232 K N -0.458 119.881 120.400 -0.102 0.000 2.148 232 K HA -0.182 4.139 4.320 0.001 0.000 0.204 232 K C 2.184 178.783 176.600 -0.001 0.000 1.050 232 K CA 1.012 57.348 56.287 0.082 0.000 0.942 232 K CB 0.014 32.552 32.500 0.063 0.000 0.724 232 K HN 0.249 nan 8.250 nan 0.000 0.446 233 Q N 0.575 120.299 119.800 -0.127 0.000 2.046 233 Q HA -0.091 4.250 4.340 0.001 0.000 0.200 233 Q C 1.919 177.765 176.000 -0.256 0.000 0.975 233 Q CA 1.271 56.954 55.803 -0.199 0.000 0.836 233 Q CB -0.039 28.538 28.738 -0.268 0.000 0.896 233 Q HN 0.199 nan 8.270 nan 0.000 0.428 234 L N -0.189 120.819 121.223 -0.358 0.000 2.127 234 L HA -0.245 4.096 4.340 0.001 0.000 0.211 234 L C 2.370 179.103 176.870 -0.228 0.000 1.089 234 L CA 0.896 55.555 54.840 -0.302 0.000 0.757 234 L CB -0.465 41.452 42.059 -0.237 0.000 0.899 234 L HN 0.156 nan 8.230 nan 0.000 0.434 235 S N -0.216 115.415 115.700 -0.115 0.000 2.369 235 S HA -0.175 4.295 4.470 0.001 0.000 0.225 235 S C -0.241 174.137 174.600 -0.369 0.000 1.043 235 S CA 2.183 60.235 58.200 -0.245 0.000 1.074 235 S CB -1.073 62.156 63.200 0.048 0.000 0.962 235 S HN 0.276 nan 8.310 nan 0.000 0.433 236 P HA -0.075 nan 4.420 nan 0.000 0.215 236 P C 0.738 177.907 177.300 -0.219 0.000 1.157 236 P CA 1.271 64.261 63.100 -0.183 0.000 0.874 236 P CB -0.120 31.512 31.700 -0.114 0.000 0.790 237 D N -1.447 118.824 120.400 -0.214 0.000 2.149 237 D HA -0.066 4.575 4.640 0.001 0.000 0.201 237 D C 1.899 178.047 176.300 -0.252 0.000 0.972 237 D CA 0.885 54.774 54.000 -0.184 0.000 0.835 237 D CB -0.670 40.051 40.800 -0.133 0.000 0.966 237 D HN 0.049 nan 8.370 nan 0.000 0.476 238 L N 0.955 121.934 121.223 -0.406 0.000 2.044 238 L HA -0.118 4.223 4.340 0.001 0.000 0.205 238 L C 2.516 179.006 176.870 -0.634 0.000 1.075 238 L CA 1.278 55.785 54.840 -0.555 0.000 0.747 238 L CB -0.835 40.766 42.059 -0.763 0.000 0.903 238 L HN 0.024 nan 8.230 nan 0.000 0.435 239 S N -0.552 114.661 115.700 -0.812 0.000 2.399 239 S HA -0.196 4.275 4.470 0.001 0.000 0.231 239 S C 2.153 176.639 174.600 -0.189 0.000 1.022 239 S CA 0.847 58.794 58.200 -0.422 0.000 0.983 239 S CB -0.860 62.163 63.200 -0.295 0.000 0.803 239 S HN 0.325 nan 8.310 nan 0.000 0.480 240 A N 1.550 124.256 122.820 -0.191 0.000 2.024 240 A HA 0.120 4.441 4.320 0.001 0.000 0.220 240 A C 2.167 179.696 177.584 -0.093 0.000 1.164 240 A CA 1.375 53.343 52.037 -0.114 0.000 0.643 240 A CB -0.674 18.262 19.000 -0.106 0.000 0.806 240 A HN 0.589 nan 8.150 nan 0.000 0.451 241 L N -0.994 120.160 121.223 -0.115 0.000 2.585 241 L HA 0.076 4.417 4.340 0.001 0.000 0.226 241 L C 0.549 177.368 176.870 -0.084 0.000 1.113 241 L CA -0.670 54.114 54.840 -0.093 0.000 0.876 241 L CB -0.162 41.841 42.059 -0.092 0.000 1.072 241 L HN 0.258 nan 8.230 nan 0.000 0.468 242 C N 1.774 121.045 119.300 -0.049 0.000 2.665 242 C HA 0.096 4.557 4.460 0.001 0.000 0.416 242 C C -1.433 173.520 174.990 -0.061 0.000 1.305 242 C CA -1.001 58.026 59.018 0.014 0.000 1.903 242 C CB -0.287 27.552 27.740 0.165 0.000 2.704 242 C HN 0.154 nan 8.230 nan 0.000 0.629 243 P HA 0.216 nan 4.420 nan 0.000 0.272 243 P C -2.631 174.696 177.300 0.044 0.000 1.230 243 P CA -1.219 61.769 63.100 -0.187 0.000 0.788 243 P CB -0.484 30.923 31.700 -0.487 0.000 0.949 244 P HA -0.028 nan 4.420 nan 0.000 0.264 244 P C 0.497 177.876 177.300 0.131 0.000 1.183 244 P CA 0.908 64.046 63.100 0.063 0.000 0.763 244 P CB -0.208 31.508 31.700 0.025 0.000 0.807 245 N N 0.443 119.183 118.700 0.066 0.000 2.965 245 N HA -0.215 4.526 4.740 0.001 0.000 0.232 245 N C -1.166 174.275 175.510 -0.115 0.000 0.913 245 N CA 1.100 54.132 53.050 -0.030 0.000 0.981 245 N CB -1.908 36.527 38.487 -0.086 0.000 1.077 245 N HN 0.365 nan 8.380 nan 0.000 0.589 246 Y N 1.242 121.573 120.300 0.052 0.000 2.331 246 Y HA 0.438 4.989 4.550 0.001 0.000 0.338 246 Y C 0.626 176.601 175.900 0.125 0.000 0.976 246 Y CA -0.596 57.576 58.100 0.120 0.000 1.137 246 Y CB 1.218 39.817 38.460 0.231 0.000 1.172 246 Y HN -0.151 nan 8.280 nan 0.000 0.478 247 K N 3.676 124.198 120.400 0.203 0.000 2.249 247 K HA 0.174 4.495 4.320 0.001 0.000 0.280 247 K C -0.509 176.228 176.600 0.230 0.000 1.033 247 K CA -0.557 55.827 56.287 0.161 0.000 0.946 247 K CB 0.827 33.369 32.500 0.070 0.000 1.005 247 K HN 0.565 nan 8.250 nan 0.000 0.469 248 F N 3.027 123.010 119.950 0.054 0.000 2.563 248 F HA 0.017 4.545 4.527 0.001 0.000 0.363 248 F C 0.208 175.987 175.800 -0.036 0.000 1.123 248 F CA 0.329 58.341 58.000 0.021 0.000 1.307 248 F CB 0.470 39.394 39.000 -0.127 0.000 1.115 248 F HN 0.472 nan 8.300 nan 0.000 0.592 249 N N 5.587 123.825 118.700 -0.768 0.000 2.549 249 N HA 0.148 4.889 4.740 0.001 0.000 0.290 249 N C 0.052 175.164 175.510 -0.664 0.000 1.122 249 N CA -0.649 52.028 53.050 -0.621 0.000 0.885 249 N CB 0.487 38.834 38.487 -0.234 0.000 1.455 249 N HN 0.418 nan 8.380 nan 0.000 0.521 250 F N 1.237 120.918 119.950 -0.448 0.000 2.115 250 F HA -0.177 4.351 4.527 0.001 0.000 0.300 250 F C 1.704 177.419 175.800 -0.140 0.000 1.092 250 F CA 1.125 58.996 58.000 -0.214 0.000 1.245 250 F CB -0.429 38.539 39.000 -0.053 0.000 0.995 250 F HN 0.498 nan 8.300 nan 0.000 0.481 251 D N -0.286 120.145 120.400 0.051 0.000 2.315 251 D HA -0.136 4.505 4.640 0.001 0.000 0.211 251 D C 1.856 178.104 176.300 -0.087 0.000 0.977 251 D CA 0.930 54.926 54.000 -0.007 0.000 0.894 251 D CB -0.178 40.610 40.800 -0.021 0.000 0.910 251 D HN 0.188 nan 8.370 nan 0.000 0.490 252 L N -0.534 120.589 121.223 -0.167 0.000 2.693 252 L HA 0.227 4.567 4.340 0.001 0.000 0.235 252 L C 0.089 176.770 176.870 -0.315 0.000 1.127 252 L CA -0.142 54.480 54.840 -0.364 0.000 0.914 252 L CB 0.004 41.655 42.059 -0.679 0.000 1.193 252 L HN -0.048 nan 8.230 nan 0.000 0.502 253 L N 0.028 121.225 121.223 -0.044 0.000 2.276 253 L HA 0.501 4.842 4.340 0.001 0.000 0.286 253 L C -0.386 176.426 176.870 -0.097 0.000 1.061 253 L CA 0.463 55.338 54.840 0.058 0.000 0.807 253 L CB 0.728 42.909 42.059 0.204 0.000 1.177 253 L HN -0.008 nan 8.230 nan 0.000 0.429 254 D N 2.517 122.807 120.400 -0.183 0.000 2.752 254 D HA 0.330 4.970 4.640 0.001 0.000 0.313 254 D C -1.709 174.355 176.300 -0.392 0.000 1.225 254 D CA -0.365 53.496 54.000 -0.233 0.000 0.976 254 D CB 1.055 41.790 40.800 -0.108 0.000 1.443 254 D HN 0.359 nan 8.370 nan 0.000 0.515 255 W N 0.458 121.667 121.300 -0.151 0.000 2.417 255 W HA 0.275 4.935 4.660 0.001 0.000 0.317 255 W C 1.533 177.953 176.519 -0.166 0.000 1.121 255 W CA -0.387 56.824 57.345 -0.223 0.000 1.208 255 W CB 1.493 30.800 29.460 -0.255 0.000 1.253 255 W HN 0.207 nan 8.180 nan 0.000 0.533 256 T N 1.245 115.833 114.554 0.058 0.000 2.777 256 T HA -0.155 4.195 4.350 0.001 0.000 0.266 256 T C -0.426 174.325 174.700 0.085 0.000 1.040 256 T CA 1.568 63.688 62.100 0.033 0.000 1.141 256 T CB -0.316 68.455 68.868 -0.161 0.000 0.868 256 T HN 0.424 nan 8.240 nan 0.000 0.444 257 Y N -1.463 118.795 120.300 -0.070 0.000 2.670 257 Y HA 0.678 5.229 4.550 0.001 0.000 0.334 257 Y C -0.791 175.013 175.900 -0.159 0.000 1.185 257 Y CA -1.782 56.258 58.100 -0.100 0.000 1.053 257 Y CB 0.708 39.056 38.460 -0.187 0.000 1.298 257 Y HN -0.307 nan 8.280 nan 0.000 0.459 258 S N 3.487 119.128 115.700 -0.099 0.000 2.533 258 S HA 0.290 4.761 4.470 0.001 0.000 0.282 258 S C -2.522 171.894 174.600 -0.307 0.000 1.304 258 S CA -0.755 57.236 58.200 -0.349 0.000 1.063 258 S CB 0.123 63.210 63.200 -0.190 0.000 0.881 258 S HN 0.386 nan 8.310 nan 0.000 0.493 259 P HA 0.118 nan 4.420 nan 0.000 0.266 259 P C -0.464 176.790 177.300 -0.077 0.000 1.193 259 P CA 0.019 62.911 63.100 -0.348 0.000 0.770 259 P CB 0.378 31.797 31.700 -0.467 0.000 0.836 260 I N 2.851 123.464 120.570 0.072 0.000 2.465 260 I HA 0.486 4.657 4.170 0.001 0.000 0.291 260 I C -1.116 175.059 176.117 0.097 0.000 1.014 260 I CA -0.950 60.402 61.300 0.086 0.000 1.093 260 I CB 0.880 38.956 38.000 0.126 0.000 1.267 260 I HN 0.156 nan 8.210 nan 0.000 0.431 261 I N 7.134 127.747 120.570 0.072 0.000 2.436 261 I HA 0.385 4.556 4.170 0.001 0.000 0.289 261 I C -0.801 175.373 176.117 0.095 0.000 1.010 261 I CA -0.485 60.875 61.300 0.099 0.000 1.098 261 I CB 1.904 39.942 38.000 0.063 0.000 1.266 261 I HN 0.541 nan 8.210 nan 0.000 0.434 262 Q N 4.703 124.597 119.800 0.157 0.000 2.365 262 Q HA 0.735 5.076 4.340 0.001 0.000 0.269 262 Q C -1.026 175.077 176.000 0.172 0.000 1.061 262 Q CA -0.808 55.068 55.803 0.122 0.000 0.816 262 Q CB 2.900 31.767 28.738 0.215 0.000 1.325 262 Q HN 0.783 nan 8.270 nan 0.000 0.446 263 S N -0.372 115.286 115.700 -0.070 0.000 2.588 263 S HA 0.820 5.291 4.470 0.001 0.000 0.269 263 S C 0.353 174.770 174.600 -0.305 0.000 1.157 263 S CA -0.083 58.120 58.200 0.005 0.000 0.824 263 S CB 1.394 64.682 63.200 0.147 0.000 1.126 263 S HN 1.042 nan 8.310 nan 0.000 0.464 264 G N 2.340 111.055 108.800 -0.142 0.000 2.620 264 G HA2 -0.351 3.610 3.960 0.001 0.000 0.315 264 G HA3 -0.351 3.610 3.960 0.001 0.000 0.315 264 G C 0.668 175.254 174.900 -0.523 0.000 1.179 264 G CA 0.739 45.528 45.100 -0.518 0.000 0.971 264 G HN 0.897 nan 8.290 nan 0.000 0.544 265 K N 0.921 121.048 120.400 -0.455 0.000 2.167 265 K HA 0.067 4.388 4.320 0.001 0.000 0.203 265 K C 1.264 177.674 176.600 -0.317 0.000 1.052 265 K CA 1.161 57.261 56.287 -0.312 0.000 0.956 265 K CB 0.133 32.504 32.500 -0.216 0.000 0.735 265 K HN 0.401 nan 8.250 nan 0.000 0.451 266 K N 0.831 120.959 120.400 -0.455 0.000 2.425 266 K HA 0.225 4.546 4.320 0.001 0.000 0.259 266 K C -1.553 174.727 176.600 -0.533 0.000 0.978 266 K CA -0.367 55.713 56.287 -0.345 0.000 0.883 266 K CB 0.620 33.006 32.500 -0.189 0.000 1.110 266 K HN -0.263 nan 8.250 nan 0.000 0.436 267 F N 2.334 122.301 119.950 0.029 0.000 2.482 267 F HA 0.328 4.856 4.527 0.001 0.000 0.331 267 F C -0.234 175.586 175.800 0.033 0.000 1.115 267 F CA -0.881 57.146 58.000 0.046 0.000 0.955 267 F CB 1.786 40.827 39.000 0.069 0.000 1.136 267 F HN 0.451 nan 8.300 nan 0.000 0.452 268 D N 3.620 124.144 120.400 0.206 0.000 2.686 268 D HA 0.342 4.983 4.640 0.001 0.000 0.249 268 D C -0.260 176.099 176.300 0.098 0.000 1.260 268 D CA -0.303 53.765 54.000 0.114 0.000 0.910 268 D CB 1.333 42.170 40.800 0.062 0.000 1.323 268 D HN 0.515 nan 8.370 nan 0.000 0.561 269 L N 2.620 123.883 121.223 0.068 0.000 2.628 269 L HA 0.314 4.654 4.340 0.001 0.000 0.229 269 L C 1.142 178.008 176.870 -0.005 0.000 1.137 269 L CA -0.102 54.758 54.840 0.033 0.000 0.909 269 L CB -0.056 42.009 42.059 0.010 0.000 1.137 269 L HN 0.073 nan 8.230 nan 0.000 0.470 270 R N 0.088 120.587 120.500 -0.002 0.000 2.531 270 R HA 0.122 4.463 4.340 0.001 0.000 0.273 270 R C 1.403 177.689 176.300 -0.023 0.000 1.070 270 R CA -0.227 55.859 56.100 -0.022 0.000 1.112 270 R CB 1.289 31.580 30.300 -0.016 0.000 1.049 270 R HN -0.058 nan 8.270 nan 0.000 0.508 271 V N -1.058 118.832 119.914 -0.039 0.000 2.913 271 V HA -0.180 3.941 4.120 0.001 0.000 0.260 271 V C 1.881 177.960 176.094 -0.025 0.000 1.098 271 V CA 1.746 64.019 62.300 -0.044 0.000 1.121 271 V CB -0.584 31.204 31.823 -0.058 0.000 0.714 271 V HN 0.858 nan 8.190 nan 0.000 0.487 272 S N 1.029 116.721 115.700 -0.013 0.000 2.515 272 S HA 0.313 4.783 4.470 0.001 0.000 0.231 272 S C 1.173 175.774 174.600 0.002 0.000 0.987 272 S CA 0.314 58.512 58.200 -0.002 0.000 0.936 272 S CB -0.603 62.596 63.200 -0.001 0.000 0.766 272 S HN 1.103 nan 8.310 nan 0.000 0.528 273 A N 2.398 125.219 122.820 0.002 0.000 2.477 273 A HA 0.576 4.896 4.320 0.001 0.000 0.246 273 A C 0.425 178.018 177.584 0.016 0.000 1.078 273 A CA -0.307 51.739 52.037 0.014 0.000 0.770 273 A CB 0.248 19.265 19.000 0.029 0.000 1.011 273 A HN 0.437 nan 8.150 nan 0.000 0.494 274 R N 1.506 122.015 120.500 0.015 0.000 2.795 274 R HA 0.427 4.768 4.340 0.001 0.000 0.275 274 R C -0.533 175.772 176.300 0.008 0.000 0.981 274 R CA -0.705 55.403 56.100 0.014 0.000 0.917 274 R CB 1.652 31.954 30.300 0.004 0.000 1.202 274 R HN 0.719 nan 8.270 nan 0.000 0.469 275 S N 1.507 117.210 115.700 0.005 0.000 2.558 275 S HA 0.018 4.489 4.470 0.001 0.000 0.293 275 S C 0.720 175.309 174.600 -0.018 0.000 1.292 275 S CA 0.213 58.409 58.200 -0.006 0.000 1.063 275 S CB 0.283 63.474 63.200 -0.017 0.000 0.831 275 S HN 0.592 nan 8.310 nan 0.000 0.499 276 T N 1.070 115.608 114.554 -0.027 0.000 2.902 276 T HA 0.298 4.649 4.350 0.001 0.000 0.280 276 T C 0.528 175.208 174.700 -0.032 0.000 0.992 276 T CA -1.002 61.078 62.100 -0.035 0.000 1.015 276 T CB 0.457 69.294 68.868 -0.052 0.000 1.044 276 T HN 0.432 nan 8.240 nan 0.000 0.520 277 N N 1.303 119.984 118.700 -0.031 0.000 2.413 277 N HA 0.100 4.841 4.740 0.001 0.000 0.207 277 N C -0.670 174.823 175.510 -0.027 0.000 1.206 277 N CA 0.043 53.076 53.050 -0.027 0.000 0.832 277 N CB -0.200 38.273 38.487 -0.024 0.000 1.037 277 N HN 0.586 nan 8.380 nan 0.000 0.467 278 D N 0.729 121.109 120.400 -0.032 0.000 2.256 278 D HA 0.013 4.654 4.640 0.001 0.000 0.250 278 D C 0.650 176.941 176.300 -0.015 0.000 1.093 278 D CA -0.314 53.669 54.000 -0.029 0.000 0.882 278 D CB 1.123 41.895 40.800 -0.048 0.000 1.185 278 D HN 0.068 nan 8.370 nan 0.000 0.437 279 Q N 1.732 121.530 119.800 -0.004 0.000 2.304 279 Q HA -0.057 4.284 4.340 0.001 0.000 0.315 279 Q C -0.743 175.271 176.000 0.023 0.000 1.075 279 Q CA -0.115 55.690 55.803 0.004 0.000 0.988 279 Q CB 0.265 29.010 28.738 0.011 0.000 1.146 279 Q HN 0.408 nan 8.270 nan 0.000 0.383 280 L N 5.677 126.902 121.223 0.004 0.000 2.601 280 L HA 0.026 4.367 4.340 0.001 0.000 0.277 280 L C -1.116 175.782 176.870 0.047 0.000 1.219 280 L CA 0.817 55.666 54.840 0.015 0.000 0.915 280 L CB -0.043 42.000 42.059 -0.027 0.000 1.160 280 L HN 0.736 nan 8.230 nan 0.000 0.494 281 Y N 4.348 124.620 120.300 -0.046 0.000 2.434 281 Y HA 0.456 5.007 4.550 0.001 0.000 0.341 281 Y C 1.037 176.916 175.900 -0.036 0.000 0.965 281 Y CA -0.553 57.525 58.100 -0.037 0.000 1.205 281 Y CB 1.136 39.583 38.460 -0.020 0.000 1.121 281 Y HN 0.709 nan 8.280 nan 0.000 0.507 282 G N 5.843 114.399 108.800 -0.407 0.000 3.452 282 G HA2 0.028 3.989 3.960 0.001 0.000 0.258 282 G HA3 0.028 3.989 3.960 0.001 0.000 0.258 282 G C -0.282 174.415 174.900 -0.338 0.000 1.305 282 G CA -0.170 44.718 45.100 -0.353 0.000 1.514 282 G HN 0.616 nan 8.290 nan 0.000 0.593 283 N N -0.655 117.903 118.700 -0.237 0.000 2.504 283 N HA 0.465 5.205 4.740 0.001 0.000 0.268 283 N C 0.428 176.047 175.510 0.183 0.000 1.184 283 N CA 0.554 53.564 53.050 -0.066 0.000 0.875 283 N CB 1.683 40.074 38.487 -0.160 0.000 1.630 283 N HN 0.560 nan 8.380 nan 0.000 0.486 284 G N 1.061 109.953 108.800 0.153 0.000 2.525 284 G HA2 -0.244 3.717 3.960 0.001 0.000 0.248 284 G HA3 -0.244 3.717 3.960 0.001 0.000 0.248 284 G C -0.494 174.507 174.900 0.167 0.000 1.238 284 G CA -0.037 45.161 45.100 0.163 0.000 0.926 284 G HN 0.774 nan 8.290 nan 0.000 0.574 285 C N 1.297 120.714 119.300 0.195 0.000 2.514 285 C HA 0.606 5.067 4.460 0.001 0.000 0.392 285 C C 0.781 175.990 174.990 0.364 0.000 1.294 285 C CA -0.395 58.731 59.018 0.179 0.000 1.957 285 C CB -0.852 26.890 27.740 0.004 0.000 2.541 285 C HN 0.504 nan 8.230 nan 0.000 0.569 286 I N 4.921 125.693 120.570 0.337 0.000 2.406 286 I HA 0.410 4.581 4.170 0.001 0.000 0.290 286 I C -0.238 176.112 176.117 0.388 0.000 0.999 286 I CA -0.251 61.292 61.300 0.405 0.000 1.124 286 I CB 1.045 39.264 38.000 0.365 0.000 1.289 286 I HN 0.479 nan 8.210 nan 0.000 0.441 287 L N 5.463 126.918 121.223 0.387 0.000 2.295 287 L HA 0.808 5.149 4.340 0.001 0.000 0.285 287 L C 0.126 177.173 176.870 0.296 0.000 1.035 287 L CA -0.581 54.434 54.840 0.293 0.000 0.806 287 L CB 1.774 43.996 42.059 0.271 0.000 1.214 287 L HN 0.699 nan 8.230 nan 0.000 0.426 288 A N 2.098 125.091 122.820 0.288 0.000 2.398 288 A HA 0.791 5.112 4.320 0.001 0.000 0.301 288 A C -0.754 176.974 177.584 0.240 0.000 1.041 288 A CA -0.440 51.769 52.037 0.287 0.000 0.711 288 A CB 1.710 20.955 19.000 0.409 0.000 1.240 288 A HN 0.588 nan 8.150 nan 0.000 0.420 289 S N 0.599 116.434 115.700 0.224 0.000 2.561 289 S HA 0.577 5.048 4.470 0.001 0.000 0.303 289 S C -0.713 174.025 174.600 0.231 0.000 1.110 289 S CA -0.441 57.919 58.200 0.265 0.000 1.034 289 S CB 1.008 64.400 63.200 0.321 0.000 1.010 289 S HN 0.790 nan 8.310 nan 0.000 0.482 290 C N 2.284 121.708 119.300 0.207 0.000 2.456 290 C HA 0.930 5.391 4.460 0.001 0.000 0.325 290 C C 0.772 175.814 174.990 0.087 0.000 1.217 290 C CA -0.653 58.440 59.018 0.124 0.000 1.687 290 C CB 0.901 28.796 27.740 0.259 0.000 2.270 290 C HN 1.030 nan 8.230 nan 0.000 0.499 291 G N 3.767 112.472 108.800 -0.158 0.000 2.883 291 G HA2 0.544 4.505 3.960 0.001 0.000 0.285 291 G HA3 0.544 4.505 3.960 0.001 0.000 0.285 291 G C -0.746 174.119 174.900 -0.058 0.000 1.526 291 G CA -0.125 44.907 45.100 -0.114 0.000 1.062 291 G HN 0.564 nan 8.290 nan 0.000 0.550 292 I N 1.138 121.670 120.570 -0.064 0.000 2.612 292 I HA 0.453 4.624 4.170 0.001 0.000 0.295 292 I C 0.389 176.468 176.117 -0.063 0.000 1.011 292 I CA -0.548 60.609 61.300 -0.238 0.000 1.326 292 I CB 1.776 39.602 38.000 -0.290 0.000 1.427 292 I HN 0.366 nan 8.210 nan 0.000 0.537 293 R N 4.971 125.425 120.500 -0.076 0.000 2.439 293 R HA 0.306 4.647 4.340 0.001 0.000 0.310 293 R C -1.841 174.498 176.300 0.066 0.000 0.955 293 R CA -0.579 55.538 56.100 0.027 0.000 0.853 293 R CB 1.373 31.684 30.300 0.018 0.000 1.171 293 R HN 0.514 nan 8.270 nan 0.000 0.449 294 Y N 4.722 125.043 120.300 0.034 0.000 2.341 294 Y HA 0.166 4.716 4.550 0.001 0.000 0.338 294 Y C 0.078 175.975 175.900 -0.005 0.000 0.965 294 Y CA -0.698 57.419 58.100 0.029 0.000 1.108 294 Y CB 1.139 39.670 38.460 0.118 0.000 1.180 294 Y HN 0.893 nan 8.280 nan 0.000 0.458 295 N N 4.662 122.788 118.700 -0.957 0.000 2.716 295 N HA -0.308 4.433 4.740 0.001 0.000 0.250 295 N C -0.334 174.916 175.510 -0.433 0.000 1.033 295 N CA 1.507 54.065 53.050 -0.820 0.000 0.727 295 N CB -1.098 36.707 38.487 -1.138 0.000 0.950 295 N HN 0.905 nan 8.380 nan 0.000 0.541 296 N N -3.843 114.662 118.700 -0.325 0.000 2.965 296 N HA -0.272 4.468 4.740 0.001 0.000 0.232 296 N C -0.941 174.368 175.510 -0.334 0.000 0.913 296 N CA 1.548 54.417 53.050 -0.302 0.000 0.981 296 N CB -1.480 36.768 38.487 -0.398 0.000 1.077 296 N HN 0.571 nan 8.380 nan 0.000 0.589 297 Y N 1.219 121.483 120.300 -0.059 0.000 2.365 297 Y HA 0.306 4.857 4.550 0.001 0.000 0.340 297 Y C 1.153 177.094 175.900 0.069 0.000 1.016 297 Y CA -0.542 57.575 58.100 0.028 0.000 1.196 297 Y CB 0.828 39.344 38.460 0.092 0.000 1.167 297 Y HN 0.028 nan 8.280 nan 0.000 0.509 298 C N 2.283 121.682 119.300 0.166 0.000 2.539 298 C HA 0.659 5.120 4.460 0.001 0.000 0.392 298 C C 0.479 175.594 174.990 0.208 0.000 1.269 298 C CA -0.299 58.818 59.018 0.165 0.000 2.250 298 C CB 0.296 28.137 27.740 0.169 0.000 2.584 298 C HN 0.888 nan 8.230 nan 0.000 0.589 299 S N 0.817 116.636 115.700 0.197 0.000 2.671 299 S HA 0.642 5.113 4.470 0.001 0.000 0.277 299 S C -1.257 173.503 174.600 0.266 0.000 1.165 299 S CA -0.604 57.730 58.200 0.223 0.000 0.822 299 S CB 1.850 65.158 63.200 0.180 0.000 1.150 299 S HN 0.813 nan 8.310 nan 0.000 0.479 300 N N 0.658 119.532 118.700 0.291 0.000 2.406 300 N HA 0.571 5.311 4.740 0.001 0.000 0.283 300 N C -1.945 173.732 175.510 0.278 0.000 1.074 300 N CA -0.322 52.942 53.050 0.358 0.000 0.916 300 N CB 1.226 40.011 38.487 0.495 0.000 1.639 300 N HN 0.666 nan 8.380 nan 0.000 0.485 301 I N 1.953 122.684 120.570 0.269 0.000 2.582 301 I HA 0.552 4.722 4.170 0.001 0.000 0.292 301 I C -1.146 175.105 176.117 0.224 0.000 1.066 301 I CA -0.310 61.130 61.300 0.233 0.000 1.053 301 I CB 1.988 40.123 38.000 0.225 0.000 1.241 301 I HN 0.455 nan 8.210 nan 0.000 0.421 302 T N 6.432 121.090 114.554 0.173 0.000 2.848 302 T HA 0.591 4.941 4.350 0.001 0.000 0.285 302 T C -0.719 174.033 174.700 0.086 0.000 0.995 302 T CA -0.711 61.472 62.100 0.139 0.000 0.970 302 T CB 1.282 70.210 68.868 0.099 0.000 0.976 302 T HN 0.395 nan 8.240 nan 0.000 0.441 303 R N 1.580 122.113 120.500 0.055 0.000 2.740 303 R HA 0.625 4.966 4.340 0.001 0.000 0.282 303 R C -0.599 175.557 176.300 -0.240 0.000 0.969 303 R CA -0.761 55.260 56.100 -0.132 0.000 0.918 303 R CB 1.837 31.963 30.300 -0.290 0.000 1.175 303 R HN 0.539 nan 8.270 nan 0.000 0.464 304 T N 3.161 117.576 114.554 -0.231 0.000 2.767 304 T HA 0.517 4.868 4.350 0.001 0.000 0.284 304 T C -0.333 174.071 174.700 -0.494 0.000 0.973 304 T CA -0.183 61.809 62.100 -0.180 0.000 0.996 304 T CB 0.259 69.168 68.868 0.069 0.000 0.927 304 T HN 0.188 nan 8.240 nan 0.000 0.456 305 F N 2.461 122.466 119.950 0.092 0.000 2.422 305 F HA 0.555 5.083 4.527 0.001 0.000 0.333 305 F C 0.112 175.930 175.800 0.030 0.000 1.095 305 F CA -1.212 56.840 58.000 0.087 0.000 1.038 305 F CB 1.039 40.179 39.000 0.234 0.000 1.156 305 F HN 0.196 nan 8.300 nan 0.000 0.483 306 L N 4.847 126.132 121.223 0.103 0.000 2.298 306 L HA 0.526 4.867 4.340 0.001 0.000 0.284 306 L C -0.720 176.157 176.870 0.012 0.000 1.013 306 L CA -0.420 54.412 54.840 -0.014 0.000 0.824 306 L CB 1.296 43.250 42.059 -0.175 0.000 1.221 306 L HN 0.533 nan 8.230 nan 0.000 0.418 307 I N 3.406 124.013 120.570 0.062 0.000 2.328 307 I HA 0.207 4.377 4.170 0.001 0.000 0.287 307 I C -0.406 175.713 176.117 0.003 0.000 1.012 307 I CA -0.559 60.787 61.300 0.078 0.000 1.195 307 I CB 1.164 39.256 38.000 0.153 0.000 1.350 307 I HN 0.623 nan 8.210 nan 0.000 0.464 308 D N 5.390 125.729 120.400 -0.101 0.000 2.802 308 D HA -0.123 4.518 4.640 0.001 0.000 0.229 308 D C -2.114 174.191 176.300 0.008 0.000 1.203 308 D CA 0.314 54.313 54.000 -0.001 0.000 0.712 308 D CB -0.625 40.243 40.800 0.113 0.000 0.973 308 D HN 0.334 nan 8.370 nan 0.000 0.407 309 P HA 0.107 nan 4.420 nan 0.000 0.275 309 P C 0.297 177.598 177.300 0.001 0.000 1.228 309 P CA -0.351 62.721 63.100 -0.046 0.000 0.786 309 P CB 0.976 32.625 31.700 -0.085 0.000 0.927 310 S N 0.545 116.221 115.700 -0.041 0.000 2.608 310 S HA 0.033 4.504 4.470 0.001 0.000 0.261 310 S C 1.300 175.897 174.600 -0.006 0.000 1.314 310 S CA -0.425 57.767 58.200 -0.013 0.000 0.992 310 S CB 0.551 63.734 63.200 -0.029 0.000 0.935 310 S HN 0.595 nan 8.310 nan 0.000 0.564 311 E N 0.936 121.145 120.200 0.015 0.000 2.085 311 E HA -0.229 4.122 4.350 0.001 0.000 0.194 311 E C 2.118 178.730 176.600 0.019 0.000 0.994 311 E CA 1.520 57.933 56.400 0.022 0.000 0.801 311 E CB -0.155 29.559 29.700 0.023 0.000 0.743 311 E HN 0.865 nan 8.360 nan 0.000 0.453 312 E N 0.487 120.696 120.200 0.015 0.000 2.072 312 E HA -0.228 4.123 4.350 0.001 0.000 0.191 312 E C 2.094 178.715 176.600 0.036 0.000 0.985 312 E CA 0.981 57.405 56.400 0.040 0.000 0.801 312 E CB -0.490 29.256 29.700 0.076 0.000 0.750 312 E HN 0.320 nan 8.360 nan 0.000 0.452 313 M N 1.027 120.563 119.600 -0.107 0.000 2.080 313 M HA -0.142 4.339 4.480 0.001 0.000 0.260 313 M C 2.543 178.837 176.300 -0.010 0.000 1.068 313 M CA 2.127 57.283 55.300 -0.240 0.000 1.109 313 M CB -0.285 32.045 32.600 -0.449 0.000 1.342 313 M HN 0.302 nan 8.290 nan 0.000 0.405 314 A N 0.357 123.182 122.820 0.009 0.000 1.877 314 A HA -0.195 4.126 4.320 0.001 0.000 0.216 314 A C 1.733 179.396 177.584 0.131 0.000 1.186 314 A CA 2.111 54.192 52.037 0.073 0.000 0.620 314 A CB -1.150 17.883 19.000 0.056 0.000 0.822 314 A HN 0.635 nan 8.150 nan 0.000 0.443 315 N N -0.343 118.413 118.700 0.092 0.000 2.120 315 N HA -0.159 4.581 4.740 0.001 0.000 0.188 315 N C 1.618 177.197 175.510 0.114 0.000 1.024 315 N CA 1.446 54.549 53.050 0.087 0.000 0.852 315 N CB -0.282 38.232 38.487 0.045 0.000 1.003 315 N HN 0.633 nan 8.380 nan 0.000 0.424 316 N N -0.273 118.500 118.700 0.122 0.000 2.244 316 N HA -0.158 4.583 4.740 0.001 0.000 0.183 316 N C 1.547 177.178 175.510 0.202 0.000 1.016 316 N CA 0.395 53.521 53.050 0.127 0.000 0.866 316 N CB -0.058 38.511 38.487 0.135 0.000 0.980 316 N HN 0.265 nan 8.380 nan 0.000 0.430 317 Y N 2.238 122.609 120.300 0.118 0.000 2.181 317 Y HA -0.226 4.325 4.550 0.001 0.000 0.288 317 Y C 1.700 177.668 175.900 0.113 0.000 1.146 317 Y CA 1.522 59.690 58.100 0.113 0.000 1.164 317 Y CB -0.191 38.303 38.460 0.058 0.000 0.982 317 Y HN 0.042 nan 8.280 nan 0.000 0.515 318 D N -0.300 120.175 120.400 0.125 0.000 2.133 318 D HA -0.259 4.381 4.640 0.001 0.000 0.195 318 D C 1.995 178.312 176.300 0.029 0.000 0.997 318 D CA 1.734 55.770 54.000 0.059 0.000 0.840 318 D CB -0.798 40.070 40.800 0.113 0.000 0.947 318 D HN 0.483 nan 8.370 nan 0.000 0.452 319 F N 0.649 120.571 119.950 -0.047 0.000 2.259 319 F HA -0.083 4.445 4.527 0.001 0.000 0.298 319 F C 2.059 177.873 175.800 0.024 0.000 1.088 319 F CA 0.376 58.360 58.000 -0.027 0.000 1.358 319 F CB -0.013 38.944 39.000 -0.072 0.000 1.040 319 F HN -0.131 nan 8.300 nan 0.000 0.505 320 L N 0.511 121.714 121.223 -0.034 0.000 2.012 320 L HA -0.215 4.125 4.340 0.001 0.000 0.210 320 L C 2.148 178.970 176.870 -0.080 0.000 1.073 320 L CA 1.770 56.633 54.840 0.037 0.000 0.748 320 L CB -0.811 41.264 42.059 0.027 0.000 0.891 320 L HN 0.216 nan 8.230 nan 0.000 0.431 321 L N -1.473 119.590 121.223 -0.267 0.000 2.012 321 L HA -0.252 4.088 4.340 0.001 0.000 0.210 321 L C 2.338 179.139 176.870 -0.116 0.000 1.073 321 L CA 1.925 56.651 54.840 -0.190 0.000 0.748 321 L CB -1.061 40.867 42.059 -0.217 0.000 0.891 321 L HN 0.298 nan 8.230 nan 0.000 0.431 322 T N 0.172 114.632 114.554 -0.157 0.000 2.788 322 T HA -0.191 4.160 4.350 0.001 0.000 0.268 322 T C 1.789 176.366 174.700 -0.204 0.000 1.044 322 T CA 1.311 63.331 62.100 -0.134 0.000 1.139 322 T CB -0.234 68.587 68.868 -0.079 0.000 0.867 322 T HN 0.139 nan 8.240 nan 0.000 0.454 323 L N 1.010 122.007 121.223 -0.378 0.000 2.056 323 L HA 0.011 4.352 4.340 0.001 0.000 0.207 323 L C 2.564 179.287 176.870 -0.245 0.000 1.078 323 L CA 1.744 56.346 54.840 -0.397 0.000 0.749 323 L CB -0.760 40.941 42.059 -0.597 0.000 0.901 323 L HN 0.188 nan 8.230 nan 0.000 0.433 324 Q N -0.284 119.549 119.800 0.054 0.000 2.077 324 Q HA -0.301 4.039 4.340 0.001 0.000 0.206 324 Q C 2.353 178.418 176.000 0.108 0.000 0.989 324 Q CA 2.241 58.196 55.803 0.254 0.000 0.853 324 Q CB -0.211 28.760 28.738 0.388 0.000 0.907 324 Q HN 0.522 nan 8.270 nan 0.000 0.418 325 K N 0.227 120.650 120.400 0.038 0.000 2.097 325 K HA -0.237 4.084 4.320 0.001 0.000 0.206 325 K C 1.890 178.450 176.600 -0.066 0.000 1.049 325 K CA 1.710 58.013 56.287 0.027 0.000 0.933 325 K CB -0.028 32.466 32.500 -0.010 0.000 0.717 325 K HN 0.096 nan 8.250 nan 0.000 0.442 326 E N 1.039 121.119 120.200 -0.200 0.000 2.072 326 E HA -0.132 4.218 4.350 0.001 0.000 0.191 326 E C 1.902 178.319 176.600 -0.304 0.000 0.985 326 E CA 1.281 57.467 56.400 -0.356 0.000 0.801 326 E CB -0.183 29.034 29.700 -0.807 0.000 0.750 326 E HN 0.364 nan 8.360 nan 0.000 0.452 327 I N -0.319 120.090 120.570 -0.268 0.000 2.099 327 I HA -0.295 3.876 4.170 0.001 0.000 0.239 327 I C 2.265 178.301 176.117 -0.136 0.000 1.066 327 I CA 1.210 62.388 61.300 -0.204 0.000 1.324 327 I CB -0.355 37.543 38.000 -0.170 0.000 1.037 327 I HN 0.058 nan 8.210 nan 0.000 0.401 328 V N 0.233 120.104 119.914 -0.071 0.000 2.307 328 V HA -0.245 3.876 4.120 0.001 0.000 0.245 328 V C 2.473 178.528 176.094 -0.065 0.000 1.045 328 V CA 2.435 64.687 62.300 -0.079 0.000 1.024 328 V CB -1.004 30.776 31.823 -0.072 0.000 0.651 328 V HN 0.481 nan 8.190 nan 0.000 0.449 329 T N 0.577 115.108 114.554 -0.038 0.000 2.701 329 T HA -0.162 4.189 4.350 0.001 0.000 0.263 329 T C 1.518 176.179 174.700 -0.065 0.000 1.040 329 T CA 2.215 64.293 62.100 -0.037 0.000 1.147 329 T CB -0.315 68.537 68.868 -0.027 0.000 0.865 329 T HN 0.607 nan 8.240 nan 0.000 0.426 330 N N -0.625 118.013 118.700 -0.104 0.000 2.273 330 N HA 0.374 5.115 4.740 0.001 0.000 0.192 330 N C 1.346 176.788 175.510 -0.113 0.000 1.132 330 N CA 0.016 53.003 53.050 -0.104 0.000 0.887 330 N CB 0.612 39.028 38.487 -0.119 0.000 1.048 330 N HN 0.257 nan 8.380 nan 0.000 0.490 331 I N -0.110 120.376 120.570 -0.140 0.000 3.616 331 I HA 0.100 4.271 4.170 0.001 0.000 0.296 331 I C -0.029 176.016 176.117 -0.120 0.000 1.226 331 I CA 0.025 61.246 61.300 -0.131 0.000 1.394 331 I CB 0.530 38.430 38.000 -0.167 0.000 1.171 331 I HN 0.039 nan 8.210 nan 0.000 0.442 332 L N 3.754 124.894 121.223 -0.140 0.000 2.404 332 L HA 0.240 4.580 4.340 0.001 0.000 0.277 332 L C -0.305 176.497 176.870 -0.113 0.000 1.184 332 L CA 0.561 55.297 54.840 -0.172 0.000 1.013 332 L CB -0.752 41.169 42.059 -0.230 0.000 1.318 332 L HN -0.052 nan 8.230 nan 0.000 0.435 333 K N 4.648 125.002 120.400 -0.076 0.000 2.316 333 K HA 0.574 4.895 4.320 0.001 0.000 0.251 333 K C -2.578 174.024 176.600 0.004 0.000 0.934 333 K CA -2.144 54.124 56.287 -0.031 0.000 0.802 333 K CB 1.587 34.070 32.500 -0.028 0.000 1.171 333 K HN 0.122 nan 8.250 nan 0.000 0.426 334 P HA 0.012 nan 4.420 nan 0.000 0.267 334 P C 0.705 178.031 177.300 0.043 0.000 1.200 334 P CA 0.854 63.989 63.100 0.059 0.000 0.772 334 P CB 0.448 32.182 31.700 0.056 0.000 0.855 335 G N 0.942 109.775 108.800 0.056 0.000 2.195 335 G HA2 -0.201 3.759 3.960 0.001 0.000 0.246 335 G HA3 -0.201 3.759 3.960 0.001 0.000 0.246 335 G C 0.173 175.087 174.900 0.024 0.000 0.984 335 G CA -0.416 44.706 45.100 0.037 0.000 0.633 335 G HN 0.535 nan 8.290 nan 0.000 0.525 336 R N 1.226 121.741 120.500 0.026 0.000 2.486 336 R HA 0.570 4.911 4.340 0.001 0.000 0.286 336 R C 0.717 177.021 176.300 0.008 0.000 0.999 336 R CA 0.248 56.353 56.100 0.008 0.000 0.993 336 R CB 0.958 31.255 30.300 -0.005 0.000 1.084 336 R HN 0.449 nan 8.270 nan 0.000 0.487 337 T N -1.285 113.255 114.554 -0.022 0.000 2.882 337 T HA 0.191 4.542 4.350 0.001 0.000 0.287 337 T C -1.827 172.845 174.700 -0.046 0.000 1.014 337 T CA -1.693 60.365 62.100 -0.070 0.000 1.049 337 T CB 1.237 70.046 68.868 -0.098 0.000 1.001 337 T HN 0.175 nan 8.240 nan 0.000 0.525 338 P HA -0.115 nan 4.420 nan 0.000 0.216 338 P C 1.506 178.804 177.300 -0.003 0.000 1.150 338 P CA 1.191 64.277 63.100 -0.022 0.000 0.843 338 P CB 0.076 31.727 31.700 -0.082 0.000 0.787 339 K N 0.267 120.644 120.400 -0.038 0.000 2.057 339 K HA -0.193 4.128 4.320 0.001 0.000 0.207 339 K C 1.929 178.564 176.600 0.058 0.000 1.049 339 K CA 1.547 57.845 56.287 0.018 0.000 0.931 339 K CB -0.269 32.226 32.500 -0.009 0.000 0.714 339 K HN 0.051 nan 8.250 nan 0.000 0.440 340 E N 0.087 120.299 120.200 0.020 0.000 2.051 340 E HA -0.171 4.180 4.350 0.001 0.000 0.192 340 E C 1.992 178.602 176.600 0.017 0.000 0.991 340 E CA 1.476 57.886 56.400 0.016 0.000 0.799 340 E CB 0.030 29.729 29.700 -0.002 0.000 0.748 340 E HN 0.090 nan 8.360 nan 0.000 0.449 341 V N 0.468 120.390 119.914 0.015 0.000 2.255 341 V HA -0.284 3.837 4.120 0.001 0.000 0.247 341 V C 2.022 178.134 176.094 0.029 0.000 1.051 341 V CA 1.990 64.288 62.300 -0.004 0.000 1.018 341 V CB -0.524 31.280 31.823 -0.031 0.000 0.641 341 V HN 0.341 nan 8.190 nan 0.000 0.445 342 Y N 0.940 121.226 120.300 -0.024 0.000 2.224 342 Y HA -0.207 4.344 4.550 0.001 0.000 0.289 342 Y C 2.503 178.419 175.900 0.027 0.000 1.146 342 Y CA 1.984 60.091 58.100 0.013 0.000 1.182 342 Y CB -0.057 38.412 38.460 0.014 0.000 0.983 342 Y HN 0.382 nan 8.280 nan 0.000 0.524 343 E N -1.142 119.099 120.200 0.067 0.000 2.152 343 E HA -0.144 4.207 4.350 0.001 0.000 0.192 343 E C 2.274 178.843 176.600 -0.051 0.000 0.983 343 E CA 1.130 57.534 56.400 0.007 0.000 0.818 343 E CB -0.088 29.644 29.700 0.053 0.000 0.758 343 E HN 0.322 nan 8.360 nan 0.000 0.467 344 S N 0.269 115.940 115.700 -0.048 0.000 2.402 344 S HA -0.100 4.371 4.470 0.001 0.000 0.229 344 S C 2.126 176.684 174.600 -0.070 0.000 1.021 344 S CA 0.548 58.719 58.200 -0.049 0.000 0.974 344 S CB 0.026 63.195 63.200 -0.052 0.000 0.800 344 S HN 0.055 nan 8.310 nan 0.000 0.484 345 V N 2.541 122.367 119.914 -0.147 0.000 2.237 345 V HA -0.156 3.965 4.120 0.001 0.000 0.245 345 V C 2.229 178.191 176.094 -0.219 0.000 1.046 345 V CA 1.310 63.486 62.300 -0.206 0.000 1.007 345 V CB -0.601 31.052 31.823 -0.283 0.000 0.638 345 V HN 0.405 nan 8.190 nan 0.000 0.445 346 I N 0.216 120.602 120.570 -0.307 0.000 2.151 346 I HA -0.270 3.901 4.170 0.001 0.000 0.243 346 I C 2.567 178.613 176.117 -0.117 0.000 1.080 346 I CA 1.892 63.052 61.300 -0.233 0.000 1.339 346 I CB -1.325 36.559 38.000 -0.194 0.000 1.039 346 I HN 0.537 nan 8.210 nan 0.000 0.409 347 E N 0.170 120.327 120.200 -0.072 0.000 2.118 347 E HA -0.287 4.064 4.350 0.001 0.000 0.195 347 E C 2.404 178.993 176.600 -0.018 0.000 0.992 347 E CA 1.339 57.718 56.400 -0.035 0.000 0.804 347 E CB -0.264 29.428 29.700 -0.012 0.000 0.741 347 E HN 0.552 nan 8.360 nan 0.000 0.458 348 Y N 0.950 121.184 120.300 -0.109 0.000 2.163 348 Y HA -0.162 4.388 4.550 0.001 0.000 0.288 348 Y C 2.048 177.922 175.900 -0.043 0.000 1.136 348 Y CA 1.848 59.898 58.100 -0.084 0.000 1.147 348 Y CB -0.115 38.276 38.460 -0.114 0.000 0.987 348 Y HN -0.009 nan 8.280 nan 0.000 0.509 349 I N 0.285 120.784 120.570 -0.119 0.000 2.226 349 I HA -0.278 3.893 4.170 0.001 0.000 0.245 349 I C 2.216 178.221 176.117 -0.186 0.000 1.100 349 I CA 1.441 62.679 61.300 -0.105 0.000 1.374 349 I CB -0.508 37.444 38.000 -0.080 0.000 1.057 349 I HN 0.240 nan 8.210 nan 0.000 0.413 350 E N 1.177 121.289 120.200 -0.147 0.000 2.273 350 E HA -0.229 4.121 4.350 0.001 0.000 0.198 350 E C 1.907 178.416 176.600 -0.151 0.000 1.002 350 E CA 1.206 57.530 56.400 -0.127 0.000 0.828 350 E CB -0.124 29.526 29.700 -0.084 0.000 0.747 350 E HN 0.551 nan 8.360 nan 0.000 0.491 351 K N -0.458 119.822 120.400 -0.200 0.000 2.352 351 K HA 0.016 4.337 4.320 0.001 0.000 0.194 351 K C 1.936 178.393 176.600 -0.238 0.000 1.038 351 K CA 1.028 57.198 56.287 -0.195 0.000 1.023 351 K CB 0.530 32.926 32.500 -0.173 0.000 0.840 351 K HN 0.143 nan 8.250 nan 0.000 0.519 352 T N -1.890 112.473 114.554 -0.319 0.000 3.151 352 T HA 0.177 4.527 4.350 0.001 0.000 0.239 352 T C 0.853 175.340 174.700 -0.356 0.000 0.979 352 T CA -0.149 61.775 62.100 -0.293 0.000 1.194 352 T CB 0.282 69.000 68.868 -0.250 0.000 0.982 352 T HN -0.210 nan 8.240 nan 0.000 0.428 353 K N 2.313 122.414 120.400 -0.498 0.000 2.877 353 K HA 0.298 4.619 4.320 0.001 0.000 0.176 353 K C -2.317 174.063 176.600 -0.367 0.000 1.075 353 K CA -1.843 54.093 56.287 -0.585 0.000 0.939 353 K CB 1.938 33.727 32.500 -1.184 0.000 1.237 353 K HN 0.221 nan 8.250 nan 0.000 0.607 354 P HA -0.225 nan 4.420 nan 0.000 0.218 354 P C 1.039 178.270 177.300 -0.114 0.000 1.148 354 P CA 1.281 64.290 63.100 -0.152 0.000 0.822 354 P CB 0.312 31.941 31.700 -0.119 0.000 0.784 355 E N 0.369 120.489 120.200 -0.133 0.000 2.418 355 E HA -0.092 4.258 4.350 0.001 0.000 0.197 355 E C 1.735 178.292 176.600 -0.073 0.000 1.026 355 E CA 0.623 56.967 56.400 -0.093 0.000 0.862 355 E CB -0.830 28.809 29.700 -0.102 0.000 0.799 355 E HN 0.325 nan 8.360 nan 0.000 0.518 356 L N 0.783 121.944 121.223 -0.103 0.000 2.529 356 L HA 0.039 4.380 4.340 0.001 0.000 0.223 356 L C 2.265 179.256 176.870 0.201 0.000 1.113 356 L CA -0.034 54.791 54.840 -0.026 0.000 0.861 356 L CB 0.133 42.025 42.059 -0.279 0.000 1.012 356 L HN -0.038 nan 8.230 nan 0.000 0.461 357 V N 0.884 120.862 119.914 0.106 0.000 2.332 357 V HA -0.186 3.934 4.120 0.001 0.000 0.248 357 V C -0.112 176.102 176.094 0.200 0.000 1.055 357 V CA 1.890 64.273 62.300 0.138 0.000 1.038 357 V CB -1.709 30.142 31.823 0.047 0.000 0.651 357 V HN 0.388 nan 8.190 nan 0.000 0.450 358 P HA -0.084 nan 4.420 nan 0.000 0.222 358 P C 0.886 178.291 177.300 0.176 0.000 1.147 358 P CA 1.305 64.487 63.100 0.137 0.000 0.790 358 P CB -0.229 31.521 31.700 0.084 0.000 0.780 359 N N -2.053 116.799 118.700 0.254 0.000 2.353 359 N HA 0.074 4.815 4.740 0.001 0.000 0.185 359 N C 0.154 175.862 175.510 0.329 0.000 1.098 359 N CA -0.215 53.005 53.050 0.283 0.000 0.872 359 N CB -0.274 38.399 38.487 0.309 0.000 0.970 359 N HN 0.126 nan 8.380 nan 0.000 0.467 360 F N 2.400 122.421 119.950 0.117 0.000 2.471 360 F HA 0.044 4.572 4.527 0.001 0.000 0.353 360 F C 1.115 176.890 175.800 -0.042 0.000 1.113 360 F CA -0.957 56.959 58.000 -0.140 0.000 1.262 360 F CB 0.558 39.503 39.000 -0.092 0.000 1.146 360 F HN 0.000 nan 8.300 nan 0.000 0.578 361 T N 2.887 117.023 114.554 -0.697 0.000 2.906 361 T HA 0.020 4.370 4.350 0.001 0.000 0.320 361 T C 0.860 175.345 174.700 -0.358 0.000 1.088 361 T CA -0.819 60.989 62.100 -0.486 0.000 1.120 361 T CB 0.674 69.253 68.868 -0.482 0.000 1.000 361 T HN 0.549 nan 8.240 nan 0.000 0.550 362 K N 1.743 122.029 120.400 -0.190 0.000 2.486 362 K HA 0.054 4.375 4.320 0.001 0.000 0.194 362 K C 0.874 177.212 176.600 -0.435 0.000 1.033 362 K CA 0.356 56.533 56.287 -0.184 0.000 1.004 362 K CB -0.516 31.892 32.500 -0.152 0.000 0.798 362 K HN 0.883 nan 8.250 nan 0.000 0.495 363 N N -0.373 118.152 118.700 -0.291 0.000 2.610 363 N HA 0.187 4.928 4.740 0.001 0.000 0.264 363 N C -0.120 175.372 175.510 -0.029 0.000 1.348 363 N CA -0.671 52.230 53.050 -0.248 0.000 0.819 363 N CB 1.401 39.763 38.487 -0.208 0.000 1.521 363 N HN -0.075 nan 8.380 nan 0.000 0.497 364 I N -3.582 117.052 120.570 0.106 0.000 3.736 364 I HA 0.570 4.740 4.170 0.001 0.000 0.338 364 I C 0.577 176.764 176.117 0.117 0.000 1.558 364 I CA -0.330 61.068 61.300 0.163 0.000 1.147 364 I CB -0.204 37.930 38.000 0.223 0.000 1.275 364 I HN 0.934 nan 8.210 nan 0.000 0.454 365 G N 1.667 110.490 108.800 0.039 0.000 2.337 365 G HA2 0.112 4.073 3.960 0.001 0.000 0.197 365 G HA3 0.112 4.073 3.960 0.001 0.000 0.197 365 G C -0.603 174.304 174.900 0.011 0.000 1.238 365 G CA -0.194 44.916 45.100 0.016 0.000 1.119 365 G HN 0.982 nan 8.290 nan 0.000 0.514 366 S N -1.703 114.018 115.700 0.033 0.000 2.643 366 S HA 0.708 5.179 4.470 0.001 0.000 0.270 366 S C -0.817 173.850 174.600 0.111 0.000 1.166 366 S CA 0.016 58.254 58.200 0.064 0.000 0.815 366 S CB 1.728 64.888 63.200 -0.068 0.000 1.139 366 S HN 2.095 nan 8.310 nan 0.000 0.472 367 L N 1.423 122.617 121.223 -0.050 0.000 2.485 367 L HA 0.578 4.919 4.340 0.001 0.000 0.275 367 L C -0.379 176.320 176.870 -0.285 0.000 1.207 367 L CA 0.250 54.803 54.840 -0.478 0.000 0.855 367 L CB 0.162 41.765 42.059 -0.759 0.000 1.114 367 L HN 0.756 nan 8.230 nan 0.000 0.485 368 I N 3.405 123.802 120.570 -0.288 0.000 2.892 368 I HA 0.825 4.996 4.170 0.001 0.000 0.306 368 I C 0.198 176.263 176.117 -0.087 0.000 1.078 368 I CA 0.114 61.333 61.300 -0.136 0.000 1.032 368 I CB 1.964 39.950 38.000 -0.023 0.000 1.229 368 I HN 0.750 nan 8.210 nan 0.000 0.435 369 G N 3.706 112.498 108.800 -0.014 0.000 2.593 369 G HA2 0.073 4.034 3.960 0.001 0.000 0.103 369 G HA3 0.073 4.034 3.960 0.001 0.000 0.103 369 G C 0.050 174.920 174.900 -0.051 0.000 1.103 369 G CA -0.398 44.735 45.100 0.056 0.000 1.109 369 G HN 0.512 nan 8.290 nan 0.000 0.516 370 L N 0.845 121.914 121.223 -0.258 0.000 2.083 370 L HA 0.161 4.502 4.340 0.001 0.000 0.209 370 L C 1.374 178.104 176.870 -0.233 0.000 1.083 370 L CA 1.133 55.710 54.840 -0.439 0.000 0.752 370 L CB -0.043 41.643 42.059 -0.622 0.000 0.899 370 L HN 0.468 nan 8.230 nan 0.000 0.433 371 E N -0.646 119.419 120.200 -0.225 0.000 2.227 371 E HA 0.008 4.359 4.350 0.001 0.000 0.282 371 E C 0.564 176.992 176.600 -0.286 0.000 1.015 371 E CA -0.377 55.883 56.400 -0.233 0.000 0.823 371 E CB 1.118 30.765 29.700 -0.089 0.000 1.081 371 E HN 0.110 nan 8.360 nan 0.000 0.396 372 F N 4.716 124.181 119.950 -0.808 0.000 2.046 372 F HA -0.101 4.426 4.527 0.001 0.000 0.297 372 F C 1.254 176.903 175.800 -0.252 0.000 1.123 372 F CA 1.032 58.723 58.000 -0.515 0.000 1.199 372 F CB 0.368 39.005 39.000 -0.605 0.000 0.972 372 F HN 0.314 nan 8.300 nan 0.000 0.474 373 R N 1.088 121.314 120.500 -0.458 0.000 2.412 373 R HA 0.100 4.440 4.340 0.001 0.000 0.304 373 R C -1.473 174.727 176.300 -0.166 0.000 1.066 373 R CA -0.659 55.186 56.100 -0.426 0.000 0.923 373 R CB 0.324 30.336 30.300 -0.480 0.000 1.156 373 R HN 0.028 nan 8.270 nan 0.000 0.513 374 D N 2.227 122.569 120.400 -0.097 0.000 2.338 374 D HA -0.029 4.611 4.640 0.001 0.000 0.255 374 D C 0.842 177.167 176.300 0.041 0.000 1.237 374 D CA 0.280 54.291 54.000 0.019 0.000 0.883 374 D CB 1.339 42.187 40.800 0.080 0.000 1.087 374 D HN 0.639 nan 8.370 nan 0.000 0.485 375 S N 2.560 118.284 115.700 0.040 0.000 2.555 375 S HA -0.081 4.389 4.470 0.001 0.000 0.230 375 S C 1.012 175.657 174.600 0.075 0.000 0.978 375 S CA 0.325 58.548 58.200 0.039 0.000 0.934 375 S CB -0.187 63.031 63.200 0.030 0.000 0.766 375 S HN 0.469 nan 8.310 nan 0.000 0.533 376 N N -0.106 118.656 118.700 0.103 0.000 2.235 376 N HA 0.328 5.068 4.740 0.001 0.000 0.209 376 N C -0.777 174.786 175.510 0.088 0.000 1.122 376 N CA -0.052 53.080 53.050 0.137 0.000 0.845 376 N CB 0.323 38.879 38.487 0.115 0.000 1.004 376 N HN 0.327 nan 8.380 nan 0.000 0.499 377 F N 1.106 121.044 119.950 -0.020 0.000 2.526 377 F HA 0.405 4.933 4.527 0.001 0.000 0.379 377 F C -1.031 174.756 175.800 -0.021 0.000 1.506 377 F CA -0.806 57.171 58.000 -0.038 0.000 1.076 377 F CB 0.227 39.224 39.000 -0.005 0.000 1.746 377 F HN -0.189 nan 8.300 nan 0.000 0.520 378 I N 2.348 123.017 120.570 0.165 0.000 2.365 378 I HA 0.196 4.367 4.170 0.001 0.000 0.291 378 I C 0.258 176.412 176.117 0.062 0.000 1.004 378 I CA -0.574 60.773 61.300 0.079 0.000 1.311 378 I CB 1.473 39.466 38.000 -0.011 0.000 1.401 378 I HN 0.059 nan 8.210 nan 0.000 0.491 379 L N 7.228 128.488 121.223 0.061 0.000 2.391 379 L HA 0.143 4.484 4.340 0.001 0.000 0.249 379 L C -0.145 176.688 176.870 -0.062 0.000 1.308 379 L CA -0.287 54.577 54.840 0.041 0.000 1.209 379 L CB -1.492 40.597 42.059 0.051 0.000 1.401 379 L HN 0.703 nan 8.230 nan 0.000 0.416 380 N N -0.667 117.939 118.700 -0.157 0.000 3.167 380 N HA 0.229 4.970 4.740 0.001 0.000 0.323 380 N C 0.582 175.945 175.510 -0.245 0.000 1.478 380 N CA -0.695 52.118 53.050 -0.395 0.000 0.753 380 N CB 0.882 39.132 38.487 -0.396 0.000 1.721 380 N HN -0.117 nan 8.380 nan 0.000 0.618 381 V N -2.969 116.780 119.914 -0.275 0.000 3.217 381 V HA 0.121 4.241 4.120 0.001 0.000 0.264 381 V C 1.303 177.362 176.094 -0.058 0.000 1.135 381 V CA 1.063 63.316 62.300 -0.078 0.000 1.142 381 V CB -0.902 30.918 31.823 -0.004 0.000 0.754 381 V HN 0.579 nan 8.190 nan 0.000 0.484 382 K N 0.923 121.276 120.400 -0.080 0.000 2.365 382 K HA 0.081 4.402 4.320 0.001 0.000 0.197 382 K C 0.755 177.356 176.600 0.002 0.000 1.042 382 K CA 0.302 56.574 56.287 -0.025 0.000 0.987 382 K CB -0.084 32.402 32.500 -0.023 0.000 0.779 382 K HN 0.440 nan 8.250 nan 0.000 0.484 383 N N 1.896 120.533 118.700 -0.106 0.000 2.500 383 N HA -0.006 4.735 4.740 0.001 0.000 0.236 383 N C -1.297 174.031 175.510 -0.304 0.000 1.022 383 N CA 0.216 53.072 53.050 -0.324 0.000 0.935 383 N CB 1.084 39.268 38.487 -0.504 0.000 1.147 383 N HN -0.041 nan 8.380 nan 0.000 0.512 384 D N 2.597 122.891 120.400 -0.178 0.000 2.788 384 D HA 0.099 4.740 4.640 0.001 0.000 0.289 384 D C -0.094 176.179 176.300 -0.045 0.000 1.340 384 D CA -0.202 53.737 54.000 -0.101 0.000 0.831 384 D CB -0.107 40.688 40.800 -0.007 0.000 1.103 384 D HN 0.619 nan 8.370 nan 0.000 0.476 385 Y N -2.273 117.952 120.300 -0.125 0.000 2.610 385 Y HA 0.512 5.063 4.550 0.001 0.000 0.254 385 Y C -0.056 175.738 175.900 -0.177 0.000 1.110 385 Y CA -0.751 57.273 58.100 -0.127 0.000 1.238 385 Y CB 0.100 38.492 38.460 -0.113 0.000 1.322 385 Y HN -0.261 nan 8.280 nan 0.000 0.547 386 R N 1.586 121.789 120.500 -0.495 0.000 2.711 386 R HA 0.498 4.839 4.340 0.001 0.000 0.284 386 R C -0.862 175.257 176.300 -0.301 0.000 0.968 386 R CA -0.896 54.920 56.100 -0.472 0.000 0.924 386 R CB 1.616 31.259 30.300 -1.095 0.000 1.162 386 R HN -0.017 nan 8.270 nan 0.000 0.465 387 K N 2.054 122.385 120.400 -0.114 0.000 2.182 387 K HA 0.447 4.767 4.320 0.001 0.000 0.262 387 K C 0.518 177.240 176.600 0.204 0.000 0.957 387 K CA -0.842 55.457 56.287 0.020 0.000 0.842 387 K CB 1.554 34.077 32.500 0.037 0.000 1.099 387 K HN 0.494 nan 8.250 nan 0.000 0.438 388 I N 2.335 123.081 120.570 0.292 0.000 2.775 388 I HA -0.114 4.057 4.170 0.001 0.000 0.290 388 I C 0.795 177.055 176.117 0.238 0.000 1.203 388 I CA 0.703 62.243 61.300 0.400 0.000 1.433 388 I CB 0.187 38.350 38.000 0.272 0.000 1.354 388 I HN 0.209 nan 8.210 nan 0.000 0.579 389 Q N 5.487 125.424 119.800 0.228 0.000 2.387 389 Q HA 0.493 4.834 4.340 0.001 0.000 0.273 389 Q C -0.867 175.195 176.000 0.103 0.000 1.089 389 Q CA -1.122 54.763 55.803 0.137 0.000 0.824 389 Q CB 2.275 31.087 28.738 0.123 0.000 1.367 389 Q HN 0.499 nan 8.270 nan 0.000 0.443 390 R N -0.048 120.497 120.500 0.074 0.000 2.570 390 R HA 0.222 4.562 4.340 0.001 0.000 0.277 390 R C 0.857 177.180 176.300 0.037 0.000 1.039 390 R CA 1.123 57.254 56.100 0.052 0.000 1.065 390 R CB 0.052 30.376 30.300 0.041 0.000 0.964 390 R HN 1.030 nan 8.270 nan 0.000 0.428 391 G N 1.760 110.571 108.800 0.018 0.000 2.213 391 G HA2 -0.234 3.727 3.960 0.001 0.000 0.236 391 G HA3 -0.234 3.727 3.960 0.001 0.000 0.236 391 G C -0.251 174.621 174.900 -0.047 0.000 0.991 391 G CA -0.114 44.985 45.100 -0.001 0.000 0.629 391 G HN 0.604 nan 8.290 nan 0.000 0.517 392 D N 0.399 120.753 120.400 -0.077 0.000 2.424 392 D HA 0.449 5.090 4.640 0.001 0.000 0.244 392 D C 0.354 176.441 176.300 -0.355 0.000 1.134 392 D CA 0.221 54.049 54.000 -0.286 0.000 0.881 392 D CB 1.280 41.877 40.800 -0.338 0.000 1.191 392 D HN 0.340 nan 8.370 nan 0.000 0.445 393 C N 4.028 123.025 119.300 -0.506 0.000 2.382 393 C HA 0.664 5.125 4.460 0.001 0.000 0.327 393 C C -1.002 173.587 174.990 -0.668 0.000 1.250 393 C CA -0.622 58.171 59.018 -0.375 0.000 1.707 393 C CB -0.795 26.844 27.740 -0.168 0.000 2.272 393 C HN 0.445 nan 8.230 nan 0.000 0.506 394 F N 3.744 123.624 119.950 -0.117 0.000 2.532 394 F HA 0.389 4.916 4.527 0.001 0.000 0.321 394 F C 0.224 175.986 175.800 -0.063 0.000 1.089 394 F CA -0.563 57.361 58.000 -0.126 0.000 0.926 394 F CB 1.207 40.122 39.000 -0.142 0.000 1.168 394 F HN 0.575 nan 8.300 nan 0.000 0.459 395 N N 3.243 122.030 118.700 0.146 0.000 2.469 395 N HA 0.233 4.974 4.740 0.001 0.000 0.239 395 N C -1.245 174.340 175.510 0.125 0.000 1.053 395 N CA -0.199 52.924 53.050 0.122 0.000 0.937 395 N CB 0.196 38.721 38.487 0.063 0.000 1.163 395 N HN 0.368 nan 8.380 nan 0.000 0.509 396 I N 2.167 122.813 120.570 0.127 0.000 2.291 396 I HA 0.197 4.368 4.170 0.001 0.000 0.290 396 I C 0.219 176.414 176.117 0.129 0.000 1.050 396 I CA -0.334 61.047 61.300 0.134 0.000 1.245 396 I CB -0.139 37.937 38.000 0.126 0.000 1.405 396 I HN 0.434 nan 8.210 nan 0.000 0.478 397 S N 8.298 124.069 115.700 0.118 0.000 2.733 397 S HA 0.809 5.280 4.470 0.001 0.000 0.294 397 S C -0.829 173.803 174.600 0.053 0.000 1.149 397 S CA -0.466 57.736 58.200 0.004 0.000 1.034 397 S CB 0.633 63.841 63.200 0.012 0.000 1.015 397 S HN 0.394 nan 8.310 nan 0.000 0.486 398 F N 1.637 121.578 119.950 -0.015 0.000 2.662 398 F HA 0.994 5.522 4.527 0.001 0.000 0.312 398 F C 0.010 175.754 175.800 -0.093 0.000 1.113 398 F CA -0.513 57.411 58.000 -0.127 0.000 0.951 398 F CB 0.940 39.905 39.000 -0.058 0.000 1.344 398 F HN 0.770 nan 8.300 nan 0.000 0.462 399 G N -0.004 108.788 108.800 -0.013 0.000 2.554 399 G HA2 0.599 4.559 3.960 0.001 0.000 0.306 399 G HA3 0.599 4.559 3.960 0.001 0.000 0.306 399 G C -2.615 172.143 174.900 -0.236 0.000 1.320 399 G CA -1.000 44.102 45.100 0.004 0.000 0.800 399 G HN 0.592 nan 8.290 nan 0.000 0.481 400 F N 0.754 120.845 119.950 0.235 0.000 2.518 400 F HA 0.587 5.115 4.527 0.001 0.000 0.323 400 F C 0.122 175.950 175.800 0.047 0.000 1.129 400 F CA -0.890 57.222 58.000 0.186 0.000 0.920 400 F CB 2.529 41.648 39.000 0.197 0.000 1.160 400 F HN 0.387 nan 8.300 nan 0.000 0.440 401 N N 1.318 120.116 118.700 0.165 0.000 2.457 401 N HA 0.382 5.122 4.740 0.001 0.000 0.290 401 N C -0.258 175.270 175.510 0.031 0.000 1.232 401 N CA -0.548 52.544 53.050 0.069 0.000 0.852 401 N CB 0.859 39.393 38.487 0.078 0.000 1.313 401 N HN 0.547 nan 8.380 nan 0.000 0.522 402 N N -0.170 118.533 118.700 0.005 0.000 2.708 402 N HA -0.203 4.537 4.740 0.001 0.000 0.249 402 N C -0.854 174.598 175.510 -0.098 0.000 1.097 402 N CA 0.541 53.584 53.050 -0.012 0.000 0.710 402 N CB -1.651 36.853 38.487 0.027 0.000 1.032 402 N HN 0.475 nan 8.380 nan 0.000 0.551 403 L N 0.407 121.460 121.223 -0.284 0.000 2.410 403 L HA 0.100 4.441 4.340 0.001 0.000 0.273 403 L C 1.100 177.743 176.870 -0.379 0.000 1.152 403 L CA 0.193 54.742 54.840 -0.485 0.000 0.855 403 L CB 0.442 41.840 42.059 -1.103 0.000 1.129 403 L HN -0.120 nan 8.230 nan 0.000 0.463 404 K N 2.357 122.676 120.400 -0.134 0.000 2.297 404 K HA 0.138 4.458 4.320 0.001 0.000 0.286 404 K C -0.607 176.100 176.600 0.179 0.000 1.053 404 K CA -0.539 55.764 56.287 0.026 0.000 0.940 404 K CB 0.879 33.398 32.500 0.031 0.000 1.019 404 K HN 0.386 nan 8.250 nan 0.000 0.475 405 D N 1.635 122.183 120.400 0.248 0.000 2.329 405 D HA 0.016 4.656 4.640 0.001 0.000 0.232 405 D C 0.932 177.324 176.300 0.153 0.000 1.088 405 D CA -0.322 53.845 54.000 0.278 0.000 0.835 405 D CB 1.266 42.245 40.800 0.298 0.000 1.078 405 D HN 0.501 nan 8.370 nan 0.000 0.495 406 S N 3.247 119.019 115.700 0.120 0.000 2.500 406 S HA -0.177 4.294 4.470 0.001 0.000 0.239 406 S C 1.105 175.749 174.600 0.074 0.000 0.989 406 S CA 0.825 59.074 58.200 0.081 0.000 0.951 406 S CB 0.018 63.257 63.200 0.064 0.000 0.759 406 S HN 0.507 nan 8.310 nan 0.000 0.523 407 Q N 0.035 119.886 119.800 0.084 0.000 2.317 407 Q HA 0.423 4.764 4.340 0.001 0.000 0.220 407 Q C 0.162 176.216 176.000 0.090 0.000 0.873 407 Q CA 0.148 55.997 55.803 0.077 0.000 0.936 407 Q CB 0.816 29.596 28.738 0.069 0.000 1.105 407 Q HN 0.492 nan 8.270 nan 0.000 0.520 408 S N -0.892 114.872 115.700 0.106 0.000 2.540 408 S HA 0.596 5.067 4.470 0.001 0.000 0.275 408 S C 0.240 174.897 174.600 0.095 0.000 1.123 408 S CA 0.024 58.289 58.200 0.108 0.000 0.907 408 S CB 1.550 64.832 63.200 0.137 0.000 1.081 408 S HN 0.133 nan 8.310 nan 0.000 0.476 409 A N 3.340 126.202 122.820 0.070 0.000 2.076 409 A HA -0.015 4.306 4.320 0.001 0.000 0.220 409 A C 0.695 178.310 177.584 0.052 0.000 1.160 409 A CA 1.030 53.098 52.037 0.052 0.000 0.653 409 A CB -0.584 18.437 19.000 0.034 0.000 0.801 409 A HN 0.778 nan 8.150 nan 0.000 0.455 410 N N 1.970 120.702 118.700 0.054 0.000 2.431 410 N HA 0.052 4.793 4.740 0.001 0.000 0.265 410 N C -0.558 175.049 175.510 0.163 0.000 1.184 410 N CA 0.092 53.184 53.050 0.069 0.000 0.943 410 N CB 0.076 38.565 38.487 0.004 0.000 1.080 410 N HN 0.470 nan 8.380 nan 0.000 0.477 411 N N 1.009 119.806 118.700 0.162 0.000 2.340 411 N HA 0.040 4.781 4.740 0.001 0.000 0.236 411 N C -0.394 175.299 175.510 0.305 0.000 1.296 411 N CA 0.105 53.259 53.050 0.173 0.000 0.896 411 N CB 0.494 39.041 38.487 0.100 0.000 1.127 411 N HN 0.540 nan 8.380 nan 0.000 0.442 412 Y N -1.472 118.888 120.300 0.100 0.000 2.659 412 Y HA 0.831 5.381 4.550 0.001 0.000 0.333 412 Y C -1.123 174.628 175.900 -0.249 0.000 1.064 412 Y CA -1.211 56.844 58.100 -0.075 0.000 1.141 412 Y CB 0.993 39.426 38.460 -0.044 0.000 1.316 412 Y HN 0.447 nan 8.280 nan 0.000 0.509 413 A N 1.421 123.980 122.820 -0.435 0.000 2.572 413 A HA 0.794 5.115 4.320 0.001 0.000 0.295 413 A C -2.086 175.464 177.584 -0.056 0.000 1.072 413 A CA -0.943 50.908 52.037 -0.309 0.000 0.691 413 A CB 1.449 20.198 19.000 -0.418 0.000 1.291 413 A HN 0.797 nan 8.150 nan 0.000 0.404 414 L N 0.793 122.100 121.223 0.140 0.000 2.386 414 L HA 0.758 5.099 4.340 0.001 0.000 0.271 414 L C -0.391 176.607 176.870 0.214 0.000 0.993 414 L CA -0.378 54.609 54.840 0.245 0.000 0.819 414 L CB 2.241 44.544 42.059 0.406 0.000 1.294 414 L HN 0.877 nan 8.230 nan 0.000 0.414 415 Q N 2.905 122.785 119.800 0.133 0.000 2.320 415 Q HA 0.653 4.994 4.340 0.001 0.000 0.272 415 Q C -2.189 173.782 176.000 -0.049 0.000 1.023 415 Q CA -0.712 55.102 55.803 0.018 0.000 0.855 415 Q CB 3.285 32.041 28.738 0.029 0.000 1.367 415 Q HN 0.523 nan 8.270 nan 0.000 0.406 416 L N 2.475 123.548 121.223 -0.249 0.000 2.505 416 L HA 0.929 5.270 4.340 0.001 0.000 0.266 416 L C -2.061 174.612 176.870 -0.329 0.000 0.954 416 L CA -0.044 54.640 54.840 -0.259 0.000 0.852 416 L CB 2.120 43.981 42.059 -0.330 0.000 1.282 416 L HN 0.676 nan 8.230 nan 0.000 0.403 417 A N 3.466 126.231 122.820 -0.092 0.000 2.393 417 A HA 0.866 5.187 4.320 0.001 0.000 0.306 417 A C -1.527 176.128 177.584 0.119 0.000 1.050 417 A CA -0.562 51.475 52.037 0.000 0.000 0.724 417 A CB 1.280 20.318 19.000 0.063 0.000 1.248 417 A HN 0.682 nan 8.150 nan 0.000 0.424 418 D N 0.480 120.983 120.400 0.173 0.000 2.581 418 D HA 0.487 5.128 4.640 0.001 0.000 0.232 418 D C -0.891 175.524 176.300 0.192 0.000 1.143 418 D CA -0.072 54.081 54.000 0.254 0.000 0.881 418 D CB 2.392 43.478 40.800 0.477 0.000 1.500 418 D HN 0.421 nan 8.370 nan 0.000 0.458 419 T N 0.684 115.353 114.554 0.191 0.000 2.771 419 T HA 0.438 4.788 4.350 0.001 0.000 0.291 419 T C -0.083 174.649 174.700 0.054 0.000 0.954 419 T CA -0.410 61.769 62.100 0.131 0.000 1.045 419 T CB 1.040 69.998 68.868 0.148 0.000 0.917 419 T HN 0.027 nan 8.240 nan 0.000 0.484 420 V N 3.792 123.700 119.914 -0.010 0.000 2.482 420 V HA 0.381 4.502 4.120 0.001 0.000 0.295 420 V C -0.367 175.708 176.094 -0.031 0.000 1.026 420 V CA -0.934 61.284 62.300 -0.137 0.000 0.856 420 V CB 1.789 33.429 31.823 -0.305 0.000 1.001 420 V HN 0.748 nan 8.190 nan 0.000 0.424 421 Q N 4.330 124.104 119.800 -0.044 0.000 2.256 421 Q HA 0.562 4.903 4.340 0.001 0.000 0.254 421 Q C -0.825 175.170 176.000 -0.009 0.000 0.916 421 Q CA -0.094 55.696 55.803 -0.022 0.000 0.932 421 Q CB 1.327 30.051 28.738 -0.024 0.000 1.207 421 Q HN 0.712 nan 8.270 nan 0.000 0.426 422 I N 7.410 127.995 120.570 0.024 0.000 2.301 422 I HA 0.307 4.478 4.170 0.001 0.000 0.292 422 I C -1.996 174.128 176.117 0.012 0.000 1.046 422 I CA -2.238 59.082 61.300 0.033 0.000 1.282 422 I CB 1.021 39.075 38.000 0.089 0.000 1.409 422 I HN 0.529 nan 8.210 nan 0.000 0.484 423 P HA 0.029 nan 4.420 nan 0.000 0.272 423 P C 0.695 177.999 177.300 0.008 0.000 1.230 423 P CA -0.474 62.626 63.100 0.000 0.000 0.788 423 P CB 0.724 32.424 31.700 -0.000 0.000 0.949 424 L N 0.319 121.545 121.223 0.005 0.000 2.127 424 L HA -0.095 4.246 4.340 0.001 0.000 0.211 424 L C 0.865 177.743 176.870 0.014 0.000 1.089 424 L CA 1.809 56.656 54.840 0.012 0.000 0.757 424 L CB -1.430 40.635 42.059 0.009 0.000 0.899 424 L HN 0.422 nan 8.230 nan 0.000 0.434 425 D N -0.542 119.863 120.400 0.009 0.000 2.295 425 D HA -0.012 4.629 4.640 0.001 0.000 0.248 425 D C 1.156 177.463 176.300 0.011 0.000 1.154 425 D CA 0.083 54.088 54.000 0.009 0.000 0.857 425 D CB 1.202 42.006 40.800 0.005 0.000 1.117 425 D HN 0.203 nan 8.370 nan 0.000 0.468 426 E N 1.688 121.895 120.200 0.012 0.000 2.204 426 E HA -0.168 4.183 4.350 0.001 0.000 0.194 426 E C 1.390 177.996 176.600 0.009 0.000 0.989 426 E CA 1.187 57.594 56.400 0.013 0.000 0.824 426 E CB 0.292 30.000 29.700 0.014 0.000 0.756 426 E HN 0.665 nan 8.360 nan 0.000 0.477 427 T N -1.280 113.279 114.554 0.008 0.000 2.881 427 T HA -0.119 4.232 4.350 0.001 0.000 0.270 427 T C 0.668 175.372 174.700 0.007 0.000 1.068 427 T CA 0.615 62.719 62.100 0.007 0.000 1.131 427 T CB -0.186 68.686 68.868 0.006 0.000 0.871 427 T HN 0.075 nan 8.240 nan 0.000 0.479 428 E N 3.506 123.711 120.200 0.008 0.000 2.229 428 E HA 0.289 4.640 4.350 0.001 0.000 0.283 428 E C -2.299 174.306 176.600 0.009 0.000 1.030 428 E CA -2.379 54.026 56.400 0.008 0.000 0.836 428 E CB 0.798 30.502 29.700 0.007 0.000 1.068 428 E HN 0.404 nan 8.360 nan 0.000 0.401 429 P HA 0.103 nan 4.420 nan 0.000 0.272 429 P C -2.541 174.763 177.300 0.005 0.000 1.240 429 P CA -1.341 61.765 63.100 0.011 0.000 0.791 429 P CB -0.348 31.365 31.700 0.022 0.000 0.978 430 P HA 0.118 nan 4.420 nan 0.000 0.265 430 P C -0.028 177.249 177.300 -0.038 0.000 1.187 430 P CA 0.570 63.643 63.100 -0.045 0.000 0.766 430 P CB 0.327 31.968 31.700 -0.097 0.000 0.820 431 R N 2.995 123.466 120.500 -0.049 0.000 2.343 431 R HA 0.360 4.701 4.340 0.001 0.000 0.320 431 R C -0.589 175.692 176.300 -0.031 0.000 0.956 431 R CA -0.746 55.359 56.100 0.009 0.000 0.836 431 R CB 0.316 30.627 30.300 0.018 0.000 1.151 431 R HN 0.346 nan 8.270 nan 0.000 0.450 432 F N 4.761 124.736 119.950 0.042 0.000 2.506 432 F HA 0.054 4.581 4.527 0.001 0.000 0.371 432 F C 1.345 177.177 175.800 0.054 0.000 1.078 432 F CA 0.142 58.175 58.000 0.054 0.000 1.195 432 F CB 0.778 39.809 39.000 0.052 0.000 1.099 432 F HN 0.464 nan 8.300 nan 0.000 0.548 433 L N 1.642 122.983 121.223 0.196 0.000 2.354 433 L HA 0.054 4.395 4.340 0.001 0.000 0.212 433 L C 0.962 177.936 176.870 0.174 0.000 1.091 433 L CA 0.348 55.275 54.840 0.146 0.000 0.828 433 L CB -0.320 41.797 42.059 0.098 0.000 0.973 433 L HN 0.556 nan 8.230 nan 0.000 0.461 434 T N -2.891 111.803 114.554 0.233 0.000 2.744 434 T HA 0.286 4.637 4.350 0.001 0.000 0.291 434 T C 0.441 175.285 174.700 0.241 0.000 0.957 434 T CA -0.631 61.610 62.100 0.234 0.000 1.002 434 T CB 1.299 70.316 68.868 0.248 0.000 0.919 434 T HN 0.017 nan 8.240 nan 0.000 0.468 435 N N 1.018 119.833 118.700 0.192 0.000 2.159 435 N HA 0.051 4.791 4.740 0.001 0.000 0.217 435 N C -0.301 175.275 175.510 0.109 0.000 1.223 435 N CA -0.294 52.827 53.050 0.117 0.000 0.896 435 N CB 0.359 38.901 38.487 0.091 0.000 1.064 435 N HN 0.746 nan 8.380 nan 0.000 0.518 436 Y N 2.650 122.997 120.300 0.078 0.000 2.805 436 Y HA -0.093 4.457 4.550 0.001 0.000 0.337 436 Y C 1.193 177.133 175.900 0.066 0.000 1.252 436 Y CA 0.543 58.697 58.100 0.091 0.000 1.515 436 Y CB 0.425 38.969 38.460 0.140 0.000 1.305 436 Y HN -0.160 nan 8.280 nan 0.000 0.600 437 T N 5.814 119.945 114.554 -0.706 0.000 2.933 437 T HA 0.029 4.380 4.350 0.001 0.000 0.306 437 T C 0.665 175.218 174.700 -0.245 0.000 1.045 437 T CA 0.331 62.168 62.100 -0.438 0.000 1.143 437 T CB 0.043 68.652 68.868 -0.431 0.000 1.003 437 T HN 0.827 nan 8.240 nan 0.000 0.540 438 K N 2.978 123.318 120.400 -0.099 0.000 2.447 438 K HA 0.466 4.786 4.320 0.001 0.000 0.205 438 K C 0.519 177.180 176.600 0.102 0.000 1.059 438 K CA -0.514 55.790 56.287 0.028 0.000 1.065 438 K CB 0.495 33.021 32.500 0.044 0.000 0.885 438 K HN 0.495 nan 8.250 nan 0.000 0.545 439 A N 2.331 125.155 122.820 0.007 0.000 2.511 439 A HA 0.037 4.358 4.320 0.001 0.000 0.242 439 A C 1.157 178.765 177.584 0.040 0.000 1.069 439 A CA -0.095 51.965 52.037 0.038 0.000 0.763 439 A CB 0.576 19.562 19.000 -0.023 0.000 1.001 439 A HN 0.427 nan 8.150 nan 0.000 0.498 440 K N 1.652 122.116 120.400 0.107 0.000 2.026 440 K HA -0.162 4.159 4.320 0.001 0.000 0.208 440 K C 2.169 178.710 176.600 -0.098 0.000 1.048 440 K CA 1.940 58.221 56.287 -0.010 0.000 0.929 440 K CB -0.193 32.378 32.500 0.118 0.000 0.713 440 K HN 0.898 nan 8.250 nan 0.000 0.439 441 S N 0.113 115.785 115.700 -0.046 0.000 2.440 441 S HA -0.158 4.312 4.470 0.001 0.000 0.238 441 S C 1.708 176.225 174.600 -0.137 0.000 1.010 441 S CA 0.982 59.145 58.200 -0.062 0.000 0.972 441 S CB -0.111 63.069 63.200 -0.033 0.000 0.774 441 S HN 0.344 nan 8.310 nan 0.000 0.501 442 Q N 0.190 119.905 119.800 -0.142 0.000 2.352 442 Q HA 0.278 4.619 4.340 0.001 0.000 0.212 442 Q C 1.435 177.318 176.000 -0.195 0.000 0.888 442 Q CA 0.437 56.144 55.803 -0.160 0.000 0.934 442 Q CB 0.397 29.076 28.738 -0.098 0.000 1.093 442 Q HN 0.885 nan 8.270 nan 0.000 0.523 443 I N -3.809 116.635 120.570 -0.211 0.000 4.082 443 I HA 0.260 4.431 4.170 0.001 0.000 0.337 443 I C 0.275 176.235 176.117 -0.261 0.000 1.352 443 I CA -0.320 60.950 61.300 -0.050 0.000 1.097 443 I CB 0.620 38.544 38.000 -0.128 0.000 1.048 443 I HN -0.310 nan 8.210 nan 0.000 0.393 444 S N 1.090 116.476 115.700 -0.523 0.000 2.541 444 S HA 0.734 5.205 4.470 0.001 0.000 0.283 444 S C -0.781 173.281 174.600 -0.895 0.000 1.196 444 S CA -0.111 57.772 58.200 -0.528 0.000 1.062 444 S CB 0.732 63.741 63.200 -0.318 0.000 1.009 444 S HN 0.178 nan 8.310 nan 0.000 0.502 445 F N 1.223 120.927 119.950 -0.409 0.000 2.588 445 F HA 0.529 5.057 4.527 0.001 0.000 0.310 445 F C -1.059 174.374 175.800 -0.611 0.000 1.082 445 F CA -0.904 56.900 58.000 -0.326 0.000 0.929 445 F CB 1.437 40.407 39.000 -0.050 0.000 1.254 445 F HN 0.439 nan 8.300 nan 0.000 0.455 446 Y N 1.789 122.082 120.300 -0.011 0.000 2.373 446 Y HA 0.490 5.041 4.550 0.001 0.000 0.336 446 Y C -0.431 175.299 175.900 -0.283 0.000 0.979 446 Y CA -0.911 57.165 58.100 -0.039 0.000 1.080 446 Y CB 1.289 39.724 38.460 -0.042 0.000 1.190 446 Y HN 0.523 nan 8.280 nan 0.000 0.446 447 F N -0.514 119.530 119.950 0.156 0.000 2.532 447 F HA 0.184 4.712 4.527 0.001 0.000 0.278 447 F C 0.900 176.748 175.800 0.079 0.000 0.975 447 F CA -0.058 57.995 58.000 0.088 0.000 1.292 447 F CB 0.174 39.192 39.000 0.030 0.000 1.112 447 F HN 0.378 nan 8.300 nan 0.000 0.703 448 N N 0.000 118.858 118.700 0.263 0.000 1.763 448 N HA 0.000 4.741 4.740 0.001 0.000 0.220 448 N CA 0.000 53.146 53.050 0.160 0.000 0.885 448 N CB 0.000 38.562 38.487 0.126 0.000 1.341 448 N HN 0.000 nan 8.380 nan 0.000 0.667