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 1a7c_1_A DATA FIRST_RESID 2 DATA SEQUENCE HHPPSYVAHL ASDFGVRVFQ QVAQASKDRN VVFSPYGVAS VLAMLQLTTG DATA SEQUENCE GETQQQIQAA MGFKIDDKGM APALRHLYKE LMGPWNKDEI STTDAIFVQR DATA SEQUENCE DLKLVQGFMP HFFRLFRSTV KQVDFSEVER ARFIINDWVK THTKGMISNL DATA SEQUENCE LGKGAVDQLT RLVLVNALYF NGQWKTPFPD SSTHRRLFHK SDGSTVSVPM DATA SEQUENCE MAQTNKFNYT EFTTPDGHYY DILELPYHGD TLSMFIAAPY EKEVPLSALT DATA SEQUENCE NILSAQLISH WKGNMTRLPR LLVLPKFSLE TEVDLRKPLE NLGMTDMFRQ DATA SEQUENCE FQADFTSLSD QEPLHVAQAL QKVKIEVNES GTXXXXXXXX XXXXXXAPEE DATA SEQUENCE IIMDRPFLFV VRHNPTGTVL FMGQVMEP 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 2 H HA 0.000 nan 4.556 nan 0.000 0.296 2 H C 0.000 175.390 175.328 0.103 0.000 0.993 2 H CA 0.000 56.077 56.048 0.049 0.000 1.023 2 H CB 0.000 29.751 29.762 -0.018 0.000 1.292 3 H N 7.112 126.027 119.070 -0.258 0.000 2.725 3 H HA 0.202 4.768 4.556 0.016 0.000 0.283 3 H C -2.179 173.038 175.328 -0.187 0.000 1.110 3 H CA -2.498 53.470 56.048 -0.133 0.000 1.289 3 H CB 1.531 31.247 29.762 -0.077 0.000 1.400 3 H HN 0.515 nan 8.280 nan 0.000 0.493 4 P HA -0.151 nan 4.420 nan 0.000 0.216 4 P C -1.621 175.523 177.300 -0.259 0.000 1.154 4 P CA 1.261 64.254 63.100 -0.179 0.000 0.865 4 P CB -0.494 31.151 31.700 -0.091 0.000 0.789 5 P HA -0.086 nan 4.420 nan 0.000 0.217 5 P C 1.624 178.755 177.300 -0.281 0.000 1.150 5 P CA 1.668 64.557 63.100 -0.352 0.000 0.832 5 P CB -0.381 31.095 31.700 -0.373 0.000 0.787 6 S N -1.848 113.684 115.700 -0.279 0.000 2.387 6 S HA -0.155 4.325 4.470 0.016 0.000 0.226 6 S C 1.787 176.057 174.600 -0.550 0.000 1.026 6 S CA 0.677 58.694 58.200 -0.305 0.000 0.972 6 S CB -1.114 62.059 63.200 -0.044 0.000 0.814 6 S HN 0.179 nan 8.310 nan 0.000 0.477 7 Y N 2.444 122.497 120.300 -0.412 0.000 2.145 7 Y HA -0.164 4.394 4.550 0.014 0.000 0.286 7 Y C 2.126 177.853 175.900 -0.288 0.000 1.145 7 Y CA 1.231 59.159 58.100 -0.286 0.000 1.148 7 Y CB -0.510 37.809 38.460 -0.235 0.000 0.981 7 Y HN 0.025 nan 8.280 nan 0.000 0.507 8 V N 0.380 120.109 119.914 -0.309 0.000 2.427 8 V HA -0.271 3.859 4.120 0.016 0.000 0.248 8 V C 2.646 178.515 176.094 -0.375 0.000 1.051 8 V CA 1.574 63.581 62.300 -0.488 0.000 1.048 8 V CB -1.458 30.127 31.823 -0.396 0.000 0.666 8 V HN 0.573 nan 8.190 nan 0.000 0.456 9 A N -0.631 122.017 122.820 -0.287 0.000 1.933 9 A HA -0.250 4.080 4.320 0.016 0.000 0.218 9 A C 1.976 179.512 177.584 -0.079 0.000 1.175 9 A CA 2.025 53.973 52.037 -0.149 0.000 0.628 9 A CB -0.796 18.108 19.000 -0.161 0.000 0.814 9 A HN 0.731 nan 8.150 nan 0.000 0.444 10 H N -0.632 118.371 119.070 -0.112 0.000 2.357 10 H HA 0.035 4.601 4.556 0.016 0.000 0.301 10 H C 1.975 177.234 175.328 -0.116 0.000 1.082 10 H CA 1.120 57.103 56.048 -0.108 0.000 1.342 10 H CB -0.101 29.585 29.762 -0.128 0.000 1.389 10 H HN 0.352 nan 8.280 nan 0.000 0.511 11 L N 0.296 121.447 121.223 -0.120 0.000 2.027 11 L HA -0.155 4.194 4.340 0.016 0.000 0.206 11 L C 2.874 179.834 176.870 0.151 0.000 1.074 11 L CA 0.779 55.584 54.840 -0.058 0.000 0.745 11 L CB -0.439 41.469 42.059 -0.251 0.000 0.898 11 L HN 0.339 nan 8.230 nan 0.000 0.433 12 A N -0.538 122.360 122.820 0.129 0.000 1.877 12 A HA -0.205 4.125 4.320 0.016 0.000 0.216 12 A C 2.499 180.243 177.584 0.266 0.000 1.186 12 A CA 2.198 54.397 52.037 0.270 0.000 0.620 12 A CB -0.652 18.474 19.000 0.211 0.000 0.822 12 A HN 0.386 nan 8.150 nan 0.000 0.443 13 S N -0.446 115.365 115.700 0.184 0.000 2.368 13 S HA -0.161 4.319 4.470 0.016 0.000 0.224 13 S C 1.751 176.423 174.600 0.120 0.000 1.029 13 S CA 1.488 59.775 58.200 0.146 0.000 0.988 13 S CB -0.434 62.832 63.200 0.110 0.000 0.838 13 S HN 0.762 nan 8.310 nan 0.000 0.462 14 D N 0.562 121.034 120.400 0.119 0.000 2.097 14 D HA -0.143 4.507 4.640 0.016 0.000 0.195 14 D C 1.697 178.087 176.300 0.149 0.000 0.989 14 D CA 1.029 55.084 54.000 0.092 0.000 0.827 14 D CB -0.199 40.648 40.800 0.078 0.000 0.966 14 D HN 0.316 nan 8.370 nan 0.000 0.456 15 F N 0.667 120.662 119.950 0.076 0.000 2.102 15 F HA 0.036 4.569 4.527 0.011 0.000 0.298 15 F C 2.172 178.039 175.800 0.112 0.000 1.105 15 F CA 2.038 60.088 58.000 0.084 0.000 1.239 15 F CB -0.764 38.292 39.000 0.094 0.000 0.991 15 F HN 0.017 nan 8.300 nan 0.000 0.474 16 G N 0.049 108.882 108.800 0.054 0.000 2.440 16 G HA2 -0.214 3.755 3.960 0.016 0.000 0.218 16 G HA3 -0.214 3.755 3.960 0.016 0.000 0.218 16 G C 1.723 176.676 174.900 0.089 0.000 1.154 16 G CA 1.224 46.344 45.100 0.033 0.000 0.767 16 G HN 0.360 nan 8.290 nan 0.000 0.552 17 V N 0.355 120.305 119.914 0.060 0.000 2.515 17 V HA -0.100 4.030 4.120 0.016 0.000 0.250 17 V C 2.863 178.969 176.094 0.020 0.000 1.058 17 V CA 1.675 64.011 62.300 0.061 0.000 1.064 17 V CB -0.405 31.419 31.823 0.003 0.000 0.675 17 V HN 0.302 nan 8.190 nan 0.000 0.461 18 R N -0.464 120.003 120.500 -0.055 0.000 2.115 18 R HA -0.088 4.261 4.340 0.016 0.000 0.230 18 R C 2.201 178.397 176.300 -0.174 0.000 1.111 18 R CA 1.183 57.227 56.100 -0.092 0.000 0.976 18 R CB -0.323 29.939 30.300 -0.062 0.000 0.870 18 R HN 0.419 nan 8.270 nan 0.000 0.445 19 V N 0.513 120.267 119.914 -0.267 0.000 2.358 19 V HA -0.228 3.902 4.120 0.016 0.000 0.246 19 V C 1.883 177.743 176.094 -0.390 0.000 1.047 19 V CA 1.568 63.690 62.300 -0.298 0.000 1.035 19 V CB -0.558 31.103 31.823 -0.270 0.000 0.658 19 V HN 0.222 nan 8.190 nan 0.000 0.452 20 F N 1.047 120.656 119.950 -0.569 0.000 2.126 20 F HA -0.250 4.286 4.527 0.015 0.000 0.299 20 F C 2.546 178.092 175.800 -0.424 0.000 1.096 20 F CA 2.302 59.842 58.000 -0.767 0.000 1.255 20 F CB -0.396 38.314 39.000 -0.483 0.000 0.997 20 F HN 0.128 nan 8.300 nan 0.000 0.479 21 Q N -0.269 119.326 119.800 -0.341 0.000 2.112 21 Q HA -0.260 4.090 4.340 0.016 0.000 0.206 21 Q C 2.249 178.025 176.000 -0.373 0.000 0.987 21 Q CA 1.948 57.550 55.803 -0.334 0.000 0.858 21 Q CB -0.127 28.530 28.738 -0.135 0.000 0.905 21 Q HN 0.456 nan 8.270 nan 0.000 0.420 22 Q N -0.614 118.995 119.800 -0.318 0.000 2.079 22 Q HA -0.116 4.234 4.340 0.016 0.000 0.200 22 Q C 2.238 178.049 176.000 -0.315 0.000 0.974 22 Q CA 1.308 56.956 55.803 -0.258 0.000 0.840 22 Q CB -0.277 28.344 28.738 -0.195 0.000 0.898 22 Q HN 0.313 nan 8.270 nan 0.000 0.430 23 V N 1.294 120.942 119.914 -0.443 0.000 2.295 23 V HA -0.243 3.887 4.120 0.016 0.000 0.246 23 V C 2.427 178.246 176.094 -0.458 0.000 1.049 23 V CA 1.762 63.802 62.300 -0.433 0.000 1.024 23 V CB -1.157 30.342 31.823 -0.540 0.000 0.648 23 V HN 0.316 nan 8.190 nan 0.000 0.447 24 A N -0.618 121.778 122.820 -0.706 0.000 1.883 24 A HA -0.306 4.024 4.320 0.016 0.000 0.217 24 A C 2.173 179.559 177.584 -0.329 0.000 1.186 24 A CA 2.051 53.730 52.037 -0.596 0.000 0.624 24 A CB -0.548 17.960 19.000 -0.821 0.000 0.822 24 A HN 0.628 nan 8.150 nan 0.000 0.444 25 Q N -0.708 118.917 119.800 -0.292 0.000 2.226 25 Q HA -0.059 4.291 4.340 0.016 0.000 0.204 25 Q C 2.337 178.248 176.000 -0.149 0.000 0.975 25 Q CA 1.153 56.845 55.803 -0.185 0.000 0.866 25 Q CB -0.361 28.282 28.738 -0.159 0.000 0.915 25 Q HN 0.713 nan 8.270 nan 0.000 0.440 26 A N 1.134 123.854 122.820 -0.166 0.000 1.854 26 A HA -0.081 4.248 4.320 0.016 0.000 0.214 26 A C 1.601 179.122 177.584 -0.105 0.000 1.192 26 A CA 1.292 53.255 52.037 -0.125 0.000 0.611 26 A CB -0.131 18.792 19.000 -0.128 0.000 0.832 26 A HN 0.329 nan 8.150 nan 0.000 0.442 27 S N -0.679 114.949 115.700 -0.120 0.000 2.912 27 S HA 0.398 4.878 4.470 0.016 0.000 0.184 27 S C 0.354 174.898 174.600 -0.093 0.000 1.390 27 S CA -0.551 57.595 58.200 -0.089 0.000 1.088 27 S CB 0.739 63.894 63.200 -0.075 0.000 1.284 27 S HN 0.410 nan 8.310 nan 0.000 0.502 28 K N 1.782 122.130 120.400 -0.086 0.000 2.281 28 K HA -0.118 4.211 4.320 0.016 0.000 0.203 28 K C 0.817 177.386 176.600 -0.051 0.000 1.046 28 K CA 1.599 57.839 56.287 -0.077 0.000 0.938 28 K CB -0.045 32.416 32.500 -0.066 0.000 0.737 28 K HN 0.775 nan 8.250 nan 0.000 0.458 29 D N -0.942 119.436 120.400 -0.037 0.000 2.535 29 D HA 0.057 4.707 4.640 0.016 0.000 0.229 29 D C 0.011 176.303 176.300 -0.013 0.000 1.238 29 D CA -0.225 53.764 54.000 -0.018 0.000 0.824 29 D CB 0.433 41.228 40.800 -0.008 0.000 1.045 29 D HN -0.164 nan 8.370 nan 0.000 0.500 30 R N 0.637 121.123 120.500 -0.024 0.000 2.668 30 R HA 0.367 4.716 4.340 0.016 0.000 0.279 30 R C -0.103 176.188 176.300 -0.015 0.000 0.976 30 R CA -0.637 55.454 56.100 -0.016 0.000 0.978 30 R CB 0.657 30.948 30.300 -0.015 0.000 1.133 30 R HN -0.084 nan 8.270 nan 0.000 0.484 31 N N 0.321 119.015 118.700 -0.010 0.000 2.492 31 N HA 0.130 4.880 4.740 0.016 0.000 0.262 31 N C -1.036 174.499 175.510 0.042 0.000 1.202 31 N CA 0.270 53.317 53.050 -0.005 0.000 0.926 31 N CB 0.873 39.354 38.487 -0.010 0.000 1.078 31 N HN 0.120 nan 8.380 nan 0.000 0.454 32 V N 2.113 122.077 119.914 0.084 0.000 2.567 32 V HA 0.263 4.393 4.120 0.016 0.000 0.298 32 V C -0.412 175.833 176.094 0.252 0.000 1.047 32 V CA -0.865 61.531 62.300 0.160 0.000 0.880 32 V CB 2.105 34.012 31.823 0.141 0.000 1.009 32 V HN 0.336 nan 8.190 nan 0.000 0.429 33 V N 6.405 126.497 119.914 0.296 0.000 2.459 33 V HA 0.822 4.951 4.120 0.016 0.000 0.295 33 V C -1.381 174.978 176.094 0.442 0.000 1.029 33 V CA -0.335 62.185 62.300 0.366 0.000 0.874 33 V CB 1.611 33.670 31.823 0.392 0.000 0.985 33 V HN 0.726 nan 8.190 nan 0.000 0.438 34 F N 4.345 124.429 119.950 0.224 0.000 2.626 34 F HA 0.708 5.245 4.527 0.016 0.000 0.311 34 F C -0.330 175.589 175.800 0.198 0.000 1.088 34 F CA -0.400 57.730 58.000 0.216 0.000 0.949 34 F CB 2.383 41.546 39.000 0.272 0.000 1.322 34 F HN 0.421 nan 8.300 nan 0.000 0.461 35 S N 4.878 120.180 115.700 -0.662 0.000 2.622 35 S HA 0.429 4.909 4.470 0.016 0.000 0.283 35 S C -2.341 171.897 174.600 -0.603 0.000 1.197 35 S CA -1.529 56.362 58.200 -0.515 0.000 1.146 35 S CB 1.134 64.080 63.200 -0.423 0.000 1.007 35 S HN 0.419 nan 8.310 nan 0.000 0.478 36 P HA -0.120 nan 4.420 nan 0.000 0.215 36 P C 0.890 178.198 177.300 0.014 0.000 1.153 36 P CA 0.851 63.971 63.100 0.034 0.000 0.853 36 P CB -0.035 31.731 31.700 0.109 0.000 0.788 37 Y N 0.436 120.653 120.300 -0.138 0.000 2.242 37 Y HA -0.085 4.475 4.550 0.016 0.000 0.291 37 Y C 2.376 178.232 175.900 -0.073 0.000 1.137 37 Y CA 1.953 60.004 58.100 -0.082 0.000 1.181 37 Y CB -1.072 37.303 38.460 -0.141 0.000 0.989 37 Y HN -0.146 nan 8.280 nan 0.000 0.527 38 G N -0.600 108.094 108.800 -0.177 0.000 2.421 38 G HA2 -0.284 3.686 3.960 0.016 0.000 0.216 38 G HA3 -0.284 3.686 3.960 0.016 0.000 0.216 38 G C 1.791 176.590 174.900 -0.168 0.000 1.171 38 G CA 1.164 46.147 45.100 -0.194 0.000 0.775 38 G HN 0.402 nan 8.290 nan 0.000 0.543 39 V N 1.147 120.967 119.914 -0.155 0.000 2.515 39 V HA 0.068 4.197 4.120 0.016 0.000 0.250 39 V C 3.095 179.267 176.094 0.130 0.000 1.058 39 V CA 2.278 64.577 62.300 -0.001 0.000 1.064 39 V CB -0.434 31.428 31.823 0.065 0.000 0.675 39 V HN 0.429 nan 8.190 nan 0.000 0.461 40 A N -0.866 122.023 122.820 0.116 0.000 1.930 40 A HA -0.132 4.198 4.320 0.016 0.000 0.217 40 A C 2.430 180.020 177.584 0.010 0.000 1.175 40 A CA 2.032 54.189 52.037 0.199 0.000 0.627 40 A CB -0.648 18.480 19.000 0.214 0.000 0.815 40 A HN 0.579 nan 8.150 nan 0.000 0.443 41 S N -0.300 115.294 115.700 -0.176 0.000 2.368 41 S HA -0.120 4.360 4.470 0.016 0.000 0.224 41 S C 1.878 176.426 174.600 -0.087 0.000 1.029 41 S CA 1.427 59.528 58.200 -0.164 0.000 0.988 41 S CB -0.449 62.562 63.200 -0.315 0.000 0.838 41 S HN 0.336 nan 8.310 nan 0.000 0.462 42 V N 2.187 122.060 119.914 -0.069 0.000 2.358 42 V HA -0.091 4.038 4.120 0.016 0.000 0.246 42 V C 2.203 178.274 176.094 -0.038 0.000 1.047 42 V CA 1.205 63.474 62.300 -0.050 0.000 1.035 42 V CB -0.581 31.239 31.823 -0.004 0.000 0.658 42 V HN 0.405 nan 8.190 nan 0.000 0.452 43 L N -0.089 121.138 121.223 0.007 0.000 2.217 43 L HA -0.058 4.292 4.340 0.016 0.000 0.211 43 L C 2.647 179.455 176.870 -0.104 0.000 1.107 43 L CA 1.956 56.777 54.840 -0.032 0.000 0.783 43 L CB -1.467 40.599 42.059 0.011 0.000 0.919 43 L HN 0.403 nan 8.230 nan 0.000 0.442 44 A N -0.385 122.402 122.820 -0.055 0.000 1.898 44 A HA -0.199 4.131 4.320 0.016 0.000 0.216 44 A C 2.302 179.931 177.584 0.075 0.000 1.181 44 A CA 1.339 53.396 52.037 0.032 0.000 0.620 44 A CB -0.288 18.859 19.000 0.246 0.000 0.819 44 A HN 0.319 nan 8.150 nan 0.000 0.442 45 M N -1.261 118.255 119.600 -0.139 0.000 2.175 45 M HA -0.081 4.409 4.480 0.016 0.000 0.264 45 M C 2.001 178.272 176.300 -0.049 0.000 1.063 45 M CA 0.953 56.076 55.300 -0.295 0.000 1.119 45 M CB -0.331 32.008 32.600 -0.436 0.000 1.377 45 M HN 0.370 nan 8.290 nan 0.000 0.415 46 L N 0.707 121.893 121.223 -0.062 0.000 2.131 46 L HA -0.186 4.164 4.340 0.016 0.000 0.210 46 L C 2.321 179.126 176.870 -0.109 0.000 1.092 46 L CA 1.854 56.654 54.840 -0.066 0.000 0.759 46 L CB -0.835 41.173 42.059 -0.085 0.000 0.903 46 L HN 0.346 nan 8.230 nan 0.000 0.435 47 Q N -1.562 118.179 119.800 -0.098 0.000 2.124 47 Q HA -0.222 4.127 4.340 0.016 0.000 0.202 47 Q C 2.127 178.093 176.000 -0.055 0.000 0.977 47 Q CA 1.360 57.094 55.803 -0.114 0.000 0.850 47 Q CB -0.180 28.482 28.738 -0.127 0.000 0.901 47 Q HN 0.360 nan 8.270 nan 0.000 0.429 48 L N 0.366 121.605 121.223 0.027 0.000 2.217 48 L HA -0.106 4.244 4.340 0.016 0.000 0.211 48 L C 2.314 179.302 176.870 0.197 0.000 1.107 48 L CA 1.871 56.755 54.840 0.073 0.000 0.783 48 L CB -0.313 41.820 42.059 0.123 0.000 0.919 48 L HN 0.284 nan 8.230 nan 0.000 0.442 49 T N -5.017 109.631 114.554 0.155 0.000 3.057 49 T HA 0.084 4.444 4.350 0.016 0.000 0.254 49 T C 0.887 175.520 174.700 -0.112 0.000 1.094 49 T CA 0.415 62.589 62.100 0.123 0.000 1.088 49 T CB -0.729 68.229 68.868 0.150 0.000 0.934 49 T HN 0.408 nan 8.240 nan 0.000 0.497 50 T N -1.104 113.291 114.554 -0.266 0.000 2.936 50 T HA 0.764 5.124 4.350 0.016 0.000 0.282 50 T C 0.271 174.842 174.700 -0.214 0.000 1.003 50 T CA -0.407 61.428 62.100 -0.441 0.000 1.005 50 T CB 1.703 70.213 68.868 -0.597 0.000 1.097 50 T HN 0.455 nan 8.240 nan 0.000 0.532 51 G N -1.981 106.701 108.800 -0.197 0.000 2.788 51 G HA2 0.675 4.645 3.960 0.016 0.000 0.293 51 G HA3 0.675 4.645 3.960 0.016 0.000 0.293 51 G C 0.328 175.174 174.900 -0.090 0.000 1.392 51 G CA -0.060 44.979 45.100 -0.101 0.000 0.810 51 G HN 1.508 nan 8.290 nan 0.000 0.508 52 G N -0.242 108.527 108.800 -0.052 0.000 2.594 52 G HA2 -0.340 3.630 3.960 0.016 0.000 0.297 52 G HA3 -0.340 3.630 3.960 0.016 0.000 0.297 52 G C 1.101 175.972 174.900 -0.048 0.000 1.273 52 G CA 1.191 46.268 45.100 -0.039 0.000 0.974 52 G HN 1.032 nan 8.290 nan 0.000 0.552 53 E N -0.720 119.457 120.200 -0.037 0.000 2.150 53 E HA -0.076 4.284 4.350 0.016 0.000 0.193 53 E C 2.708 179.274 176.600 -0.056 0.000 0.985 53 E CA 1.717 58.096 56.400 -0.035 0.000 0.814 53 E CB -0.291 29.400 29.700 -0.015 0.000 0.752 53 E HN 0.531 nan 8.360 nan 0.000 0.466 54 T N 0.641 115.145 114.554 -0.082 0.000 2.674 54 T HA -0.239 4.121 4.350 0.016 0.000 0.265 54 T C 1.804 176.408 174.700 -0.160 0.000 1.039 54 T CA 1.573 63.595 62.100 -0.129 0.000 1.150 54 T CB -0.239 68.507 68.868 -0.203 0.000 0.864 54 T HN 0.281 nan 8.240 nan 0.000 0.427 55 Q N 0.454 120.154 119.800 -0.166 0.000 2.124 55 Q HA -0.160 4.190 4.340 0.016 0.000 0.202 55 Q C 2.406 178.330 176.000 -0.128 0.000 0.977 55 Q CA 1.344 57.050 55.803 -0.162 0.000 0.850 55 Q CB -0.115 28.541 28.738 -0.137 0.000 0.901 55 Q HN 0.570 nan 8.270 nan 0.000 0.429 56 Q N -0.140 119.604 119.800 -0.094 0.000 2.124 56 Q HA -0.222 4.128 4.340 0.016 0.000 0.202 56 Q C 2.027 177.983 176.000 -0.073 0.000 0.977 56 Q CA 1.696 57.456 55.803 -0.073 0.000 0.850 56 Q CB 0.124 28.833 28.738 -0.047 0.000 0.901 56 Q HN 0.505 nan 8.270 nan 0.000 0.429 57 Q N -0.191 119.569 119.800 -0.067 0.000 2.119 57 Q HA -0.137 4.213 4.340 0.016 0.000 0.201 57 Q C 2.063 178.020 176.000 -0.073 0.000 0.972 57 Q CA 1.264 57.038 55.803 -0.048 0.000 0.847 57 Q CB 0.003 28.727 28.738 -0.025 0.000 0.903 57 Q HN 0.466 nan 8.270 nan 0.000 0.433 58 I N 0.582 121.080 120.570 -0.120 0.000 2.202 58 I HA -0.290 3.890 4.170 0.016 0.000 0.242 58 I C 2.310 178.270 176.117 -0.263 0.000 1.091 58 I CA 1.247 62.437 61.300 -0.182 0.000 1.368 58 I CB -0.271 37.602 38.000 -0.211 0.000 1.058 58 I HN 0.237 nan 8.210 nan 0.000 0.410 59 Q N 0.681 120.344 119.800 -0.229 0.000 2.124 59 Q HA -0.173 4.177 4.340 0.016 0.000 0.202 59 Q C 2.465 178.354 176.000 -0.186 0.000 0.977 59 Q CA 1.673 57.325 55.803 -0.251 0.000 0.850 59 Q CB -0.268 28.365 28.738 -0.175 0.000 0.901 59 Q HN 0.581 nan 8.270 nan 0.000 0.429 60 A N 1.056 123.808 122.820 -0.114 0.000 1.902 60 A HA -0.105 4.225 4.320 0.016 0.000 0.217 60 A C 2.277 179.833 177.584 -0.047 0.000 1.181 60 A CA 1.568 53.571 52.037 -0.057 0.000 0.623 60 A CB -0.711 18.273 19.000 -0.027 0.000 0.818 60 A HN 0.393 nan 8.150 nan 0.000 0.443 61 A N -0.747 122.035 122.820 -0.063 0.000 1.930 61 A HA -0.026 4.303 4.320 0.016 0.000 0.217 61 A C 2.216 179.753 177.584 -0.078 0.000 1.175 61 A CA 1.669 53.713 52.037 0.011 0.000 0.627 61 A CB -0.456 18.606 19.000 0.105 0.000 0.815 61 A HN 0.517 nan 8.150 nan 0.000 0.443 62 M N -1.899 117.465 119.600 -0.393 0.000 2.349 62 M HA 0.122 4.611 4.480 0.016 0.000 0.266 62 M C 1.556 177.767 176.300 -0.148 0.000 1.076 62 M CA 1.009 55.978 55.300 -0.552 0.000 1.126 62 M CB 0.098 32.113 32.600 -0.975 0.000 1.392 62 M HN 0.644 nan 8.290 nan 0.000 0.440 63 G N 1.478 110.224 108.800 -0.091 0.000 2.176 63 G HA2 -0.274 3.696 3.960 0.016 0.000 0.253 63 G HA3 -0.274 3.696 3.960 0.016 0.000 0.253 63 G C -0.080 174.942 174.900 0.203 0.000 0.979 63 G CA 0.316 45.463 45.100 0.077 0.000 0.641 63 G HN 0.562 nan 8.290 nan 0.000 0.530 64 F N -1.773 118.146 119.950 -0.053 0.000 2.693 64 F HA 0.794 5.329 4.527 0.013 0.000 0.309 64 F C -0.802 174.976 175.800 -0.037 0.000 1.129 64 F CA -2.035 55.955 58.000 -0.017 0.000 0.948 64 F CB 0.865 39.866 39.000 0.003 0.000 1.315 64 F HN -0.028 nan 8.300 nan 0.000 0.447 65 K N 2.413 122.886 120.400 0.121 0.000 2.235 65 K HA 0.410 4.740 4.320 0.016 0.000 0.266 65 K C 0.253 176.932 176.600 0.133 0.000 0.980 65 K CA -0.780 55.515 56.287 0.013 0.000 0.849 65 K CB 2.602 35.119 32.500 0.028 0.000 1.098 65 K HN 0.738 nan 8.250 nan 0.000 0.445 66 I N 2.673 123.271 120.570 0.046 0.000 2.361 66 I HA -0.252 3.928 4.170 0.016 0.000 0.251 66 I C 1.072 177.228 176.117 0.065 0.000 1.133 66 I CA 1.784 63.148 61.300 0.107 0.000 1.413 66 I CB -0.042 37.999 38.000 0.068 0.000 1.073 66 I HN 0.658 nan 8.210 nan 0.000 0.424 67 D N -1.365 119.072 120.400 0.062 0.000 2.325 67 D HA 0.031 4.680 4.640 0.016 0.000 0.225 67 D C 0.285 176.625 176.300 0.067 0.000 1.096 67 D CA -0.186 53.873 54.000 0.099 0.000 0.844 67 D CB -0.799 40.087 40.800 0.144 0.000 0.925 67 D HN 0.157 nan 8.370 nan 0.000 0.513 68 D N 1.216 121.650 120.400 0.057 0.000 2.399 68 D HA 0.240 4.890 4.640 0.016 0.000 0.241 68 D C 0.663 176.967 176.300 0.007 0.000 1.133 68 D CA 0.136 54.158 54.000 0.037 0.000 0.890 68 D CB 0.609 41.442 40.800 0.056 0.000 1.201 68 D HN 0.272 nan 8.370 nan 0.000 0.432 69 K N 0.720 121.115 120.400 -0.009 0.000 2.453 69 K HA 0.420 4.750 4.320 0.016 0.000 0.280 69 K C 1.201 177.775 176.600 -0.043 0.000 1.045 69 K CA 0.190 56.458 56.287 -0.032 0.000 1.059 69 K CB -0.390 32.090 32.500 -0.033 0.000 0.901 69 K HN 0.740 nan 8.250 nan 0.000 0.475 70 G N 1.068 109.830 108.800 -0.063 0.000 2.201 70 G HA2 -0.215 3.755 3.960 0.016 0.000 0.212 70 G HA3 -0.215 3.755 3.960 0.016 0.000 0.212 70 G C 1.244 176.083 174.900 -0.102 0.000 0.994 70 G CA 0.469 45.521 45.100 -0.079 0.000 0.644 70 G HN 0.536 nan 8.290 nan 0.000 0.508 71 M N 0.717 120.262 119.600 -0.092 0.000 2.200 71 M HA 0.202 4.692 4.480 0.016 0.000 0.265 71 M C 2.927 179.102 176.300 -0.207 0.000 1.066 71 M CA 1.922 57.151 55.300 -0.119 0.000 1.127 71 M CB -1.232 31.335 32.600 -0.055 0.000 1.379 71 M HN 0.571 nan 8.290 nan 0.000 0.420 72 A N 1.705 124.401 122.820 -0.207 0.000 1.873 72 A HA -0.140 4.190 4.320 0.016 0.000 0.218 72 A C -0.195 177.183 177.584 -0.345 0.000 1.193 72 A CA 1.903 53.777 52.037 -0.272 0.000 0.629 72 A CB -2.171 16.701 19.000 -0.213 0.000 0.826 72 A HN 0.357 nan 8.150 nan 0.000 0.447 73 P HA -0.054 nan 4.420 nan 0.000 0.219 73 P C 1.553 178.483 177.300 -0.616 0.000 1.150 73 P CA 1.739 64.526 63.100 -0.520 0.000 0.814 73 P CB -0.137 31.329 31.700 -0.389 0.000 0.787 74 A N 0.400 122.996 122.820 -0.373 0.000 1.902 74 A HA -0.125 4.205 4.320 0.016 0.000 0.217 74 A C 2.445 179.809 177.584 -0.366 0.000 1.181 74 A CA 1.305 53.164 52.037 -0.296 0.000 0.623 74 A CB -1.567 17.306 19.000 -0.210 0.000 0.818 74 A HN 0.114 nan 8.150 nan 0.000 0.443 75 L N -1.325 119.626 121.223 -0.453 0.000 2.027 75 L HA -0.143 4.206 4.340 0.016 0.000 0.206 75 L C 2.804 179.045 176.870 -1.049 0.000 1.074 75 L CA 1.631 56.062 54.840 -0.682 0.000 0.745 75 L CB -0.453 41.228 42.059 -0.631 0.000 0.898 75 L HN 0.471 nan 8.230 nan 0.000 0.433 76 R N -0.372 119.681 120.500 -0.746 0.000 2.096 76 R HA -0.212 4.138 4.340 0.016 0.000 0.240 76 R C 2.207 178.346 176.300 -0.268 0.000 1.139 76 R CA 1.929 57.720 56.100 -0.516 0.000 0.952 76 R CB -0.318 29.758 30.300 -0.374 0.000 0.854 76 R HN 0.495 nan 8.270 nan 0.000 0.436 77 H N -0.712 118.212 119.070 -0.243 0.000 2.428 77 H HA -0.102 4.463 4.556 0.016 0.000 0.296 77 H C 1.943 177.208 175.328 -0.105 0.000 1.062 77 H CA 0.802 56.777 56.048 -0.121 0.000 1.350 77 H CB 0.153 29.849 29.762 -0.111 0.000 1.403 77 H HN 0.158 nan 8.280 nan 0.000 0.533 78 L N 0.514 121.668 121.223 -0.115 0.000 2.056 78 L HA -0.203 4.147 4.340 0.016 0.000 0.207 78 L C 1.615 178.498 176.870 0.022 0.000 1.078 78 L CA 1.483 56.273 54.840 -0.084 0.000 0.749 78 L CB -0.687 41.282 42.059 -0.149 0.000 0.901 78 L HN 0.173 nan 8.230 nan 0.000 0.433 79 Y N 0.528 120.835 120.300 0.011 0.000 2.128 79 Y HA -0.232 4.328 4.550 0.016 0.000 0.284 79 Y C 2.546 178.439 175.900 -0.011 0.000 1.154 79 Y CA 1.325 59.425 58.100 0.001 0.000 1.149 79 Y CB -1.091 37.379 38.460 0.018 0.000 0.976 79 Y HN 0.261 nan 8.280 nan 0.000 0.505 80 K N -0.150 120.369 120.400 0.199 0.000 2.097 80 K HA -0.142 4.188 4.320 0.016 0.000 0.205 80 K C 1.903 178.610 176.600 0.177 0.000 1.050 80 K CA 1.176 57.572 56.287 0.182 0.000 0.938 80 K CB -0.077 32.572 32.500 0.249 0.000 0.718 80 K HN 0.270 nan 8.250 nan 0.000 0.442 81 E N 1.058 121.378 120.200 0.201 0.000 2.077 81 E HA -0.154 4.206 4.350 0.016 0.000 0.193 81 E C 2.111 178.674 176.600 -0.062 0.000 0.989 81 E CA 1.019 57.580 56.400 0.269 0.000 0.800 81 E CB -0.111 29.727 29.700 0.229 0.000 0.746 81 E HN 0.324 nan 8.360 nan 0.000 0.452 82 L N -0.273 120.804 121.223 -0.243 0.000 2.109 82 L HA -0.034 4.315 4.340 0.016 0.000 0.207 82 L C 2.469 179.147 176.870 -0.320 0.000 1.086 82 L CA 0.838 55.404 54.840 -0.458 0.000 0.760 82 L CB -0.247 41.568 42.059 -0.407 0.000 0.910 82 L HN 0.085 nan 8.230 nan 0.000 0.437 83 M N -0.411 119.050 119.600 -0.233 0.000 2.502 83 M HA 0.147 4.637 4.480 0.016 0.000 0.243 83 M C 1.090 177.157 176.300 -0.388 0.000 1.130 83 M CA -0.101 55.068 55.300 -0.218 0.000 1.055 83 M CB -0.126 32.419 32.600 -0.093 0.000 1.457 83 M HN 0.174 nan 8.290 nan 0.000 0.488 84 G N 2.289 110.639 108.800 -0.750 0.000 2.414 84 G HA2 0.043 4.013 3.960 0.016 0.000 0.236 84 G HA3 0.043 4.013 3.960 0.016 0.000 0.236 84 G C -1.651 172.577 174.900 -1.121 0.000 1.293 84 G CA -0.889 43.311 45.100 -1.501 0.000 0.869 84 G HN 0.166 nan 8.290 nan 0.000 0.556 85 P HA -0.123 nan 4.420 nan 0.000 0.222 85 P C 1.300 178.543 177.300 -0.095 0.000 1.147 85 P CA 1.372 64.357 63.100 -0.192 0.000 0.790 85 P CB -0.030 31.678 31.700 0.014 0.000 0.780 86 W N 0.344 121.663 121.300 0.032 0.000 2.611 86 W HA 0.087 4.756 4.660 0.015 0.000 0.251 86 W C 1.391 177.926 176.519 0.026 0.000 1.265 86 W CA 0.116 57.477 57.345 0.026 0.000 1.295 86 W CB -2.006 27.471 29.460 0.028 0.000 1.129 86 W HN -0.167 nan 8.180 nan 0.000 0.630 87 N N 1.284 119.831 118.700 -0.254 0.000 2.409 87 N HA -0.080 4.669 4.740 0.016 0.000 0.179 87 N C 0.927 176.381 175.510 -0.094 0.000 1.032 87 N CA 1.629 54.611 53.050 -0.114 0.000 0.898 87 N CB -0.135 38.254 38.487 -0.164 0.000 0.971 87 N HN 0.338 nan 8.380 nan 0.000 0.441 88 K N -0.476 119.859 120.400 -0.109 0.000 8.070 88 K HA -0.164 4.166 4.320 0.016 0.000 0.487 88 K C -0.416 176.148 176.600 -0.060 0.000 0.363 88 K CA 1.821 58.034 56.287 -0.124 0.000 1.957 88 K CB -1.203 31.084 32.500 -0.355 0.000 0.676 88 K HN 0.246 nan 8.250 nan 0.000 0.908 89 D N 2.131 122.489 120.400 -0.070 0.000 2.414 89 D HA 0.023 4.672 4.640 0.016 0.000 0.242 89 D C 0.050 176.353 176.300 0.006 0.000 1.129 89 D CA 0.311 54.329 54.000 0.030 0.000 0.885 89 D CB 0.865 41.716 40.800 0.085 0.000 1.198 89 D HN 0.220 nan 8.370 nan 0.000 0.437 90 E N 1.882 122.057 120.200 -0.042 0.000 2.259 90 E HA 0.358 4.718 4.350 0.016 0.000 0.281 90 E C -0.799 175.845 176.600 0.073 0.000 1.027 90 E CA -0.351 56.046 56.400 -0.005 0.000 0.838 90 E CB 0.636 30.343 29.700 0.013 0.000 1.066 90 E HN 0.345 nan 8.360 nan 0.000 0.401 91 I N 3.047 123.665 120.570 0.080 0.000 2.569 91 I HA 0.217 4.397 4.170 0.016 0.000 0.290 91 I C -0.736 175.433 176.117 0.086 0.000 1.088 91 I CA -0.625 60.741 61.300 0.109 0.000 1.047 91 I CB 2.232 40.238 38.000 0.009 0.000 1.237 91 I HN 0.337 nan 8.210 nan 0.000 0.421 92 S N 3.636 119.431 115.700 0.160 0.000 2.672 92 S HA 0.616 5.095 4.470 0.016 0.000 0.291 92 S C -0.957 173.722 174.600 0.132 0.000 1.145 92 S CA -0.341 57.935 58.200 0.126 0.000 1.013 92 S CB 1.575 64.863 63.200 0.146 0.000 1.017 92 S HN 0.665 nan 8.310 nan 0.000 0.487 93 T N 3.275 117.876 114.554 0.078 0.000 2.881 93 T HA 0.727 5.087 4.350 0.016 0.000 0.290 93 T C -1.310 173.416 174.700 0.044 0.000 1.000 93 T CA -0.177 61.979 62.100 0.095 0.000 0.978 93 T CB 1.327 70.274 68.868 0.131 0.000 0.997 93 T HN 0.584 nan 8.240 nan 0.000 0.443 94 T N 4.449 119.059 114.554 0.093 0.000 2.916 94 T HA 0.500 4.860 4.350 0.016 0.000 0.298 94 T C -1.441 173.388 174.700 0.216 0.000 1.031 94 T CA -0.891 61.282 62.100 0.121 0.000 0.993 94 T CB 1.526 70.479 68.868 0.143 0.000 1.045 94 T HN 0.547 nan 8.240 nan 0.000 0.454 95 D N 1.432 121.909 120.400 0.128 0.000 2.198 95 D HA 0.747 5.397 4.640 0.016 0.000 0.247 95 D C -0.507 175.827 176.300 0.057 0.000 1.010 95 D CA -0.349 53.700 54.000 0.082 0.000 0.880 95 D CB 2.123 42.909 40.800 -0.023 0.000 1.209 95 D HN 0.751 nan 8.370 nan 0.000 0.451 96 A N 1.408 124.150 122.820 -0.131 0.000 2.594 96 A HA 0.677 5.006 4.320 0.016 0.000 0.295 96 A C -1.441 175.879 177.584 -0.440 0.000 1.071 96 A CA -0.697 51.061 52.037 -0.466 0.000 0.685 96 A CB 1.458 19.647 19.000 -1.352 0.000 1.285 96 A HN 0.537 nan 8.150 nan 0.000 0.405 97 I N 1.021 121.207 120.570 -0.640 0.000 2.499 97 I HA 0.689 4.869 4.170 0.016 0.000 0.288 97 I C -1.957 173.774 176.117 -0.644 0.000 1.048 97 I CA -0.841 60.140 61.300 -0.531 0.000 1.062 97 I CB 1.048 38.634 38.000 -0.691 0.000 1.238 97 I HN 0.538 nan 8.210 nan 0.000 0.426 98 F N 7.087 126.908 119.950 -0.215 0.000 2.402 98 F HA 0.572 5.108 4.527 0.016 0.000 0.355 98 F C -0.162 175.635 175.800 -0.005 0.000 1.123 98 F CA -0.686 57.231 58.000 -0.138 0.000 1.021 98 F CB 1.797 40.738 39.000 -0.099 0.000 1.160 98 F HN 0.128 nan 8.300 nan 0.000 0.451 99 V N 3.603 123.574 119.914 0.095 0.000 2.769 99 V HA 0.456 4.585 4.120 0.016 0.000 0.312 99 V C -0.669 175.503 176.094 0.128 0.000 1.061 99 V CA -0.811 61.556 62.300 0.110 0.000 0.931 99 V CB 1.966 33.755 31.823 -0.056 0.000 1.010 99 V HN 0.694 nan 8.190 nan 0.000 0.433 100 Q N 4.185 124.120 119.800 0.226 0.000 2.269 100 Q HA 0.032 4.381 4.340 0.016 0.000 0.300 100 Q C 1.467 177.486 176.000 0.031 0.000 1.070 100 Q CA 1.131 57.033 55.803 0.166 0.000 0.957 100 Q CB 0.715 29.560 28.738 0.179 0.000 1.131 100 Q HN 0.791 nan 8.270 nan 0.000 0.377 101 R N 2.539 123.033 120.500 -0.011 0.000 2.091 101 R HA -0.191 4.159 4.340 0.016 0.000 0.238 101 R C 0.383 176.675 176.300 -0.014 0.000 1.136 101 R CA 1.968 58.054 56.100 -0.023 0.000 0.959 101 R CB -0.527 29.753 30.300 -0.034 0.000 0.856 101 R HN 0.716 nan 8.270 nan 0.000 0.437 102 D N 0.525 120.922 120.400 -0.006 0.000 2.324 102 D HA 0.019 4.669 4.640 0.016 0.000 0.235 102 D C 0.029 176.323 176.300 -0.010 0.000 1.095 102 D CA -0.164 53.832 54.000 -0.007 0.000 0.871 102 D CB 0.072 40.870 40.800 -0.003 0.000 0.906 102 D HN 0.145 nan 8.370 nan 0.000 0.522 103 L N 1.167 122.380 121.223 -0.016 0.000 2.281 103 L HA 0.238 4.588 4.340 0.016 0.000 0.285 103 L C -0.282 176.564 176.870 -0.039 0.000 1.074 103 L CA -0.542 54.279 54.840 -0.032 0.000 0.817 103 L CB 0.658 42.690 42.059 -0.046 0.000 1.168 103 L HN -0.210 nan 8.230 nan 0.000 0.434 104 K N 6.895 127.275 120.400 -0.033 0.000 2.338 104 K HA 0.267 4.597 4.320 0.016 0.000 0.290 104 K C -0.540 176.034 176.600 -0.043 0.000 1.069 104 K CA 0.031 56.302 56.287 -0.026 0.000 0.941 104 K CB 0.246 32.738 32.500 -0.013 0.000 1.023 104 K HN 0.622 nan 8.250 nan 0.000 0.477 105 L N 2.236 123.434 121.223 -0.042 0.000 2.399 105 L HA 0.265 4.614 4.340 0.016 0.000 0.266 105 L C 0.570 177.440 176.870 0.000 0.000 1.114 105 L CA -1.150 53.650 54.840 -0.067 0.000 0.804 105 L CB 0.845 42.865 42.059 -0.064 0.000 1.146 105 L HN 0.156 nan 8.230 nan 0.000 0.451 106 V N 1.470 121.390 119.914 0.010 0.000 2.740 106 V HA -0.056 4.074 4.120 0.016 0.000 0.303 106 V C 0.446 176.622 176.094 0.137 0.000 1.054 106 V CA -0.110 62.235 62.300 0.076 0.000 1.106 106 V CB 1.081 32.965 31.823 0.102 0.000 0.957 106 V HN 0.707 nan 8.190 nan 0.000 0.486 107 Q N 2.897 122.762 119.800 0.109 0.000 2.337 107 Q HA 0.405 4.754 4.340 0.016 0.000 0.270 107 Q C 1.013 177.101 176.000 0.146 0.000 1.002 107 Q CA 1.235 57.106 55.803 0.113 0.000 0.888 107 Q CB 0.564 29.347 28.738 0.074 0.000 1.222 107 Q HN 1.097 nan 8.270 nan 0.000 0.400 108 G N 3.267 112.156 108.800 0.149 0.000 2.175 108 G HA2 -0.350 3.620 3.960 0.016 0.000 0.244 108 G HA3 -0.350 3.620 3.960 0.016 0.000 0.244 108 G C 0.450 175.477 174.900 0.211 0.000 0.982 108 G CA 0.296 45.484 45.100 0.148 0.000 0.641 108 G HN 0.657 nan 8.290 nan 0.000 0.527 109 F N 1.113 121.145 119.950 0.137 0.000 2.084 109 F HA 0.159 4.695 4.527 0.015 0.000 0.296 109 F C 2.864 178.789 175.800 0.207 0.000 1.111 109 F CA 2.535 60.630 58.000 0.159 0.000 1.224 109 F CB -0.247 38.805 39.000 0.087 0.000 0.991 109 F HN 0.205 nan 8.300 nan 0.000 0.471 110 M N 0.078 119.837 119.600 0.264 0.000 2.082 110 M HA -0.175 4.314 4.480 0.016 0.000 0.258 110 M C -0.568 175.840 176.300 0.180 0.000 1.069 110 M CA 2.190 57.611 55.300 0.202 0.000 1.102 110 M CB -1.795 30.913 32.600 0.180 0.000 1.336 110 M HN 0.092 nan 8.290 nan 0.000 0.404 111 P HA -0.135 nan 4.420 nan 0.000 0.216 111 P C 1.272 178.690 177.300 0.196 0.000 1.153 111 P CA 1.323 64.517 63.100 0.156 0.000 0.844 111 P CB -0.219 31.535 31.700 0.091 0.000 0.787 112 H N -2.064 117.011 119.070 0.007 0.000 2.352 112 H HA -0.171 4.395 4.556 0.016 0.000 0.299 112 H C 1.914 177.198 175.328 -0.072 0.000 1.097 112 H CA 0.997 57.011 56.048 -0.056 0.000 1.311 112 H CB -0.380 29.318 29.762 -0.106 0.000 1.377 112 H HN -0.007 nan 8.280 nan 0.000 0.504 113 F N 0.095 119.973 119.950 -0.119 0.000 2.134 113 F HA -0.206 4.330 4.527 0.016 0.000 0.299 113 F C 2.092 177.981 175.800 0.149 0.000 1.097 113 F CA 1.329 59.290 58.000 -0.064 0.000 1.264 113 F CB -0.573 38.280 39.000 -0.245 0.000 1.001 113 F HN 0.170 nan 8.300 nan 0.000 0.479 114 F N 1.266 121.287 119.950 0.119 0.000 2.134 114 F HA -0.147 4.390 4.527 0.017 0.000 0.299 114 F C 2.726 178.500 175.800 -0.044 0.000 1.097 114 F CA 1.903 59.938 58.000 0.059 0.000 1.264 114 F CB -0.624 38.439 39.000 0.104 0.000 1.001 114 F HN -0.123 nan 8.300 nan 0.000 0.479 115 R N 0.319 120.813 120.500 -0.010 0.000 2.105 115 R HA -0.170 4.180 4.340 0.016 0.000 0.239 115 R C 2.078 178.203 176.300 -0.290 0.000 1.135 115 R CA 1.976 58.002 56.100 -0.125 0.000 0.967 115 R CB -0.420 29.862 30.300 -0.030 0.000 0.861 115 R HN 0.414 nan 8.270 nan 0.000 0.442 116 L N -1.326 119.667 121.223 -0.383 0.000 2.221 116 L HA 0.044 4.393 4.340 0.016 0.000 0.202 116 L C 1.202 177.528 176.870 -0.906 0.000 1.074 116 L CA 0.618 55.040 54.840 -0.697 0.000 0.795 116 L CB 0.006 41.501 42.059 -0.939 0.000 0.960 116 L HN 0.081 nan 8.230 nan 0.000 0.458 117 F N -1.296 118.391 119.950 -0.438 0.000 2.653 117 F HA 0.276 4.812 4.527 0.015 0.000 0.304 117 F C 0.608 176.192 175.800 -0.361 0.000 1.092 117 F CA -0.626 57.128 58.000 -0.410 0.000 1.279 117 F CB 0.167 38.686 39.000 -0.802 0.000 1.044 117 F HN -0.169 nan 8.300 nan 0.000 0.564 118 R N 0.976 121.238 120.500 -0.397 0.000 3.387 118 R HA -0.219 4.131 4.340 0.016 0.000 0.254 118 R C -0.321 175.840 176.300 -0.232 0.000 1.006 118 R CA 0.651 56.406 56.100 -0.575 0.000 0.677 118 R CB -2.160 27.983 30.300 -0.261 0.000 1.063 118 R HN 0.292 nan 8.270 nan 0.000 0.453 119 S N -1.074 114.630 115.700 0.007 0.000 2.546 119 S HA 0.445 4.924 4.470 0.016 0.000 0.272 119 S C -0.268 174.689 174.600 0.595 0.000 1.140 119 S CA -0.003 58.393 58.200 0.326 0.000 0.920 119 S CB 1.568 64.925 63.200 0.262 0.000 1.083 119 S HN 0.282 nan 8.310 nan 0.000 0.476 120 T N 0.984 115.811 114.554 0.454 0.000 2.889 120 T HA 0.569 4.928 4.350 0.016 0.000 0.291 120 T C 0.138 174.888 174.700 0.085 0.000 0.995 120 T CA -0.667 61.615 62.100 0.304 0.000 1.092 120 T CB 0.754 69.694 68.868 0.120 0.000 0.954 120 T HN 0.415 nan 8.240 nan 0.000 0.506 121 V N 3.386 123.302 119.914 0.003 0.000 2.540 121 V HA 0.132 4.261 4.120 0.016 0.000 0.297 121 V C 0.598 176.570 176.094 -0.203 0.000 1.024 121 V CA -0.046 62.130 62.300 -0.207 0.000 1.105 121 V CB -0.414 31.328 31.823 -0.136 0.000 0.938 121 V HN 0.819 nan 8.190 nan 0.000 0.482 122 K N 4.518 124.704 120.400 -0.356 0.000 2.183 122 K HA 0.481 4.810 4.320 0.016 0.000 0.274 122 K C -0.363 176.137 176.600 -0.167 0.000 1.009 122 K CA -0.281 55.828 56.287 -0.295 0.000 0.888 122 K CB 1.217 33.388 32.500 -0.548 0.000 1.078 122 K HN 0.650 nan 8.250 nan 0.000 0.459 123 Q N 2.057 121.807 119.800 -0.084 0.000 2.333 123 Q HA 0.415 4.765 4.340 0.016 0.000 0.265 123 Q C -0.612 175.345 176.000 -0.072 0.000 0.989 123 Q CA -0.918 54.847 55.803 -0.063 0.000 0.842 123 Q CB 1.718 30.425 28.738 -0.051 0.000 1.262 123 Q HN 0.496 nan 8.270 nan 0.000 0.451 124 V N -1.559 118.267 119.914 -0.147 0.000 3.155 124 V HA 0.607 4.737 4.120 0.016 0.000 0.313 124 V C -0.979 174.915 176.094 -0.334 0.000 1.162 124 V CA -1.020 61.119 62.300 -0.269 0.000 1.048 124 V CB 2.322 33.867 31.823 -0.462 0.000 1.092 124 V HN 0.606 nan 8.190 nan 0.000 0.447 125 D N 0.092 120.303 120.400 -0.315 0.000 2.460 125 D HA 0.443 5.093 4.640 0.016 0.000 0.232 125 D C 0.170 176.329 176.300 -0.235 0.000 1.079 125 D CA -0.555 53.325 54.000 -0.200 0.000 0.864 125 D CB 0.955 41.700 40.800 -0.091 0.000 1.048 125 D HN 0.433 nan 8.370 nan 0.000 0.523 126 F N 1.383 121.316 119.950 -0.028 0.000 2.546 126 F HA -0.096 4.441 4.527 0.017 0.000 0.298 126 F C 2.605 178.387 175.800 -0.029 0.000 1.120 126 F CA 0.623 58.601 58.000 -0.037 0.000 1.456 126 F CB -0.232 38.736 39.000 -0.053 0.000 1.088 126 F HN 0.364 nan 8.300 nan 0.000 0.572 127 S N -0.484 115.281 115.700 0.108 0.000 2.423 127 S HA -0.132 4.348 4.470 0.016 0.000 0.231 127 S C 0.873 175.496 174.600 0.039 0.000 1.014 127 S CA 0.647 58.885 58.200 0.063 0.000 0.965 127 S CB -0.519 62.702 63.200 0.036 0.000 0.785 127 S HN 0.466 nan 8.310 nan 0.000 0.495 128 E N 1.834 122.046 120.200 0.019 0.000 2.201 128 E HA 0.292 4.652 4.350 0.016 0.000 0.272 128 E C 0.724 177.335 176.600 0.019 0.000 1.228 128 E CA -0.302 56.102 56.400 0.007 0.000 1.305 128 E CB 0.645 30.337 29.700 -0.013 0.000 1.381 128 E HN 0.194 nan 8.360 nan 0.000 0.475 129 V N 1.543 121.485 119.914 0.047 0.000 2.226 129 V HA -0.362 3.767 4.120 0.016 0.000 0.254 129 V C 2.167 178.296 176.094 0.058 0.000 1.065 129 V CA 1.870 64.212 62.300 0.070 0.000 1.039 129 V CB -0.284 31.573 31.823 0.058 0.000 0.653 129 V HN 0.529 nan 8.190 nan 0.000 0.450 130 E N -0.408 119.818 120.200 0.042 0.000 2.160 130 E HA -0.231 4.128 4.350 0.016 0.000 0.195 130 E C 2.262 178.908 176.600 0.075 0.000 0.991 130 E CA 1.419 57.849 56.400 0.050 0.000 0.810 130 E CB -0.392 29.324 29.700 0.026 0.000 0.742 130 E HN 0.520 nan 8.360 nan 0.000 0.466 131 R N 1.109 121.639 120.500 0.050 0.000 2.066 131 R HA -0.015 4.335 4.340 0.016 0.000 0.232 131 R C 2.100 178.447 176.300 0.078 0.000 1.131 131 R CA 1.851 57.995 56.100 0.073 0.000 0.955 131 R CB -0.823 29.489 30.300 0.020 0.000 0.851 131 R HN 0.094 nan 8.270 nan 0.000 0.432 132 A N 0.541 123.347 122.820 -0.023 0.000 1.902 132 A HA -0.133 4.196 4.320 0.016 0.000 0.217 132 A C 2.302 179.829 177.584 -0.096 0.000 1.181 132 A CA 1.589 53.536 52.037 -0.150 0.000 0.623 132 A CB -0.605 18.212 19.000 -0.305 0.000 0.818 132 A HN 0.417 nan 8.150 nan 0.000 0.443 133 R N -1.623 118.884 120.500 0.011 0.000 2.081 133 R HA -0.151 4.199 4.340 0.016 0.000 0.235 133 R C 1.964 178.264 176.300 -0.001 0.000 1.131 133 R CA 1.824 57.931 56.100 0.013 0.000 0.960 133 R CB -0.430 29.904 30.300 0.055 0.000 0.856 133 R HN 0.549 nan 8.270 nan 0.000 0.436 134 F N 1.070 120.991 119.950 -0.048 0.000 2.102 134 F HA -0.129 4.408 4.527 0.017 0.000 0.298 134 F C 1.799 177.579 175.800 -0.033 0.000 1.105 134 F CA 1.398 59.381 58.000 -0.029 0.000 1.239 134 F CB -0.313 38.677 39.000 -0.017 0.000 0.991 134 F HN -0.041 nan 8.300 nan 0.000 0.474 135 I N 0.408 120.809 120.570 -0.282 0.000 2.151 135 I HA -0.361 3.819 4.170 0.016 0.000 0.243 135 I C 2.418 178.317 176.117 -0.363 0.000 1.080 135 I CA 1.844 62.943 61.300 -0.334 0.000 1.339 135 I CB -0.501 37.426 38.000 -0.120 0.000 1.039 135 I HN 0.209 nan 8.210 nan 0.000 0.409 136 I N 0.366 120.653 120.570 -0.472 0.000 2.202 136 I HA -0.264 3.915 4.170 0.016 0.000 0.242 136 I C 2.170 178.158 176.117 -0.215 0.000 1.091 136 I CA 1.202 62.133 61.300 -0.615 0.000 1.368 136 I CB -0.546 37.009 38.000 -0.742 0.000 1.058 136 I HN 0.258 nan 8.210 nan 0.000 0.410 137 N N 0.780 119.368 118.700 -0.188 0.000 2.166 137 N HA -0.230 4.520 4.740 0.016 0.000 0.186 137 N C 1.494 176.947 175.510 -0.095 0.000 1.019 137 N CA 1.569 54.566 53.050 -0.088 0.000 0.856 137 N CB -0.434 38.018 38.487 -0.058 0.000 0.993 137 N HN 0.378 nan 8.380 nan 0.000 0.426 138 D N -0.864 119.371 120.400 -0.276 0.000 2.149 138 D HA -0.129 4.521 4.640 0.016 0.000 0.201 138 D C 1.862 178.147 176.300 -0.024 0.000 0.972 138 D CA 0.694 54.532 54.000 -0.270 0.000 0.835 138 D CB -0.078 40.306 40.800 -0.693 0.000 0.966 138 D HN 0.332 nan 8.370 nan 0.000 0.476 139 W N 0.236 121.476 121.300 -0.100 0.000 2.358 139 W HA -0.164 4.505 4.660 0.016 0.000 0.303 139 W C 1.971 178.602 176.519 0.186 0.000 1.208 139 W CA 1.260 58.669 57.345 0.107 0.000 1.274 139 W CB -0.294 29.275 29.460 0.183 0.000 1.138 139 W HN -0.153 nan 8.180 nan 0.000 0.515 140 V N 1.111 121.250 119.914 0.374 0.000 2.358 140 V HA -0.309 3.820 4.120 0.016 0.000 0.246 140 V C 2.403 178.528 176.094 0.053 0.000 1.047 140 V CA 2.304 64.745 62.300 0.235 0.000 1.035 140 V CB -1.013 30.961 31.823 0.252 0.000 0.658 140 V HN 0.185 nan 8.190 nan 0.000 0.452 141 K N -0.108 120.306 120.400 0.023 0.000 2.032 141 K HA -0.201 4.129 4.320 0.016 0.000 0.209 141 K C 2.224 178.766 176.600 -0.096 0.000 1.048 141 K CA 2.062 58.335 56.287 -0.023 0.000 0.927 141 K CB -0.323 32.163 32.500 -0.023 0.000 0.712 141 K HN 0.484 nan 8.250 nan 0.000 0.441 142 T N 0.006 114.477 114.554 -0.139 0.000 2.684 142 T HA -0.134 4.225 4.350 0.016 0.000 0.267 142 T C 1.241 175.672 174.700 -0.449 0.000 1.036 142 T CA 1.725 63.656 62.100 -0.281 0.000 1.148 142 T CB -0.347 68.329 68.868 -0.320 0.000 0.863 142 T HN 0.416 nan 8.240 nan 0.000 0.436 143 H N 0.608 119.411 119.070 -0.444 0.000 2.556 143 H HA 0.139 4.705 4.556 0.016 0.000 0.268 143 H C 1.851 177.024 175.328 -0.258 0.000 0.996 143 H CA 1.182 56.960 56.048 -0.450 0.000 1.157 143 H CB 0.005 29.295 29.762 -0.787 0.000 1.355 143 H HN 0.398 nan 8.280 nan 0.000 0.597 144 T N -2.359 112.126 114.554 -0.116 0.000 3.228 144 T HA 0.163 4.522 4.350 0.016 0.000 0.278 144 T C 0.383 174.976 174.700 -0.178 0.000 1.014 144 T CA -0.698 61.391 62.100 -0.018 0.000 0.904 144 T CB -0.104 68.827 68.868 0.105 0.000 1.110 144 T HN 0.130 nan 8.240 nan 0.000 0.541 145 K N 1.211 121.394 120.400 -0.361 0.000 3.071 145 K HA -0.223 4.107 4.320 0.016 0.000 0.262 145 K C 1.210 177.699 176.600 -0.186 0.000 0.977 145 K CA 0.510 56.568 56.287 -0.381 0.000 0.721 145 K CB -1.976 30.108 32.500 -0.693 0.000 1.293 145 K HN 0.996 nan 8.250 nan 0.000 0.475 146 G N -0.316 108.413 108.800 -0.118 0.000 2.184 146 G HA2 -0.390 3.580 3.960 0.016 0.000 0.264 146 G HA3 -0.390 3.580 3.960 0.016 0.000 0.264 146 G C 0.783 175.678 174.900 -0.009 0.000 0.975 146 G CA 0.618 45.685 45.100 -0.054 0.000 0.642 146 G HN 0.386 nan 8.290 nan 0.000 0.536 147 M N -0.367 119.245 119.600 0.020 0.000 2.200 147 M HA 0.183 4.673 4.480 0.016 0.000 0.265 147 M C 0.702 177.036 176.300 0.058 0.000 1.066 147 M CA 1.272 56.605 55.300 0.056 0.000 1.127 147 M CB 0.057 32.724 32.600 0.111 0.000 1.379 147 M HN 0.127 nan 8.290 nan 0.000 0.420 148 I N 0.880 121.489 120.570 0.066 0.000 2.388 148 I HA 0.105 4.285 4.170 0.016 0.000 0.281 148 I C 0.963 177.112 176.117 0.053 0.000 1.046 148 I CA 0.106 61.449 61.300 0.072 0.000 1.187 148 I CB 0.582 38.642 38.000 0.100 0.000 1.351 148 I HN 0.158 nan 8.210 nan 0.000 0.472 149 S N 3.630 119.357 115.700 0.044 0.000 2.492 149 S HA 0.084 4.564 4.470 0.016 0.000 0.218 149 S C 0.871 175.495 174.600 0.040 0.000 1.016 149 S CA -0.037 58.184 58.200 0.036 0.000 0.916 149 S CB 0.024 63.243 63.200 0.032 0.000 0.791 149 S HN 0.605 nan 8.310 nan 0.000 0.513 150 N N 0.490 119.218 118.700 0.045 0.000 2.733 150 N HA 0.371 5.121 4.740 0.016 0.000 0.271 150 N C 0.302 175.839 175.510 0.045 0.000 1.720 150 N CA -0.229 52.847 53.050 0.044 0.000 0.803 150 N CB 0.583 39.097 38.487 0.045 0.000 1.208 150 N HN 0.126 nan 8.380 nan 0.000 0.498 151 L N 1.159 122.411 121.223 0.047 0.000 1.970 151 L HA 0.124 4.473 4.340 0.016 0.000 0.212 151 L C -0.065 176.828 176.870 0.039 0.000 1.071 151 L CA 1.865 56.737 54.840 0.054 0.000 0.751 151 L CB -0.135 41.964 42.059 0.067 0.000 0.889 151 L HN 0.389 nan 8.230 nan 0.000 0.432 152 L N 0.707 121.944 121.223 0.023 0.000 2.255 152 L HA 0.395 4.745 4.340 0.016 0.000 0.289 152 L C 0.714 177.597 176.870 0.021 0.000 1.046 152 L CA -0.413 54.437 54.840 0.015 0.000 0.816 152 L CB 0.479 42.536 42.059 -0.004 0.000 1.197 152 L HN 0.224 nan 8.230 nan 0.000 0.427 153 G N 2.625 111.438 108.800 0.023 0.000 2.616 153 G HA2 0.181 4.150 3.960 0.016 0.000 0.268 153 G HA3 0.181 4.150 3.960 0.016 0.000 0.268 153 G C -0.310 174.602 174.900 0.021 0.000 1.213 153 G CA -0.620 44.495 45.100 0.025 0.000 0.926 153 G HN 0.521 nan 8.290 nan 0.000 0.523 154 K N -0.346 120.067 120.400 0.022 0.000 2.451 154 K HA 0.348 4.677 4.320 0.016 0.000 0.280 154 K C 1.265 177.872 176.600 0.012 0.000 1.020 154 K CA 1.345 57.644 56.287 0.020 0.000 1.008 154 K CB 0.445 32.956 32.500 0.019 0.000 0.917 154 K HN 0.968 nan 8.250 nan 0.000 0.478 155 G N 2.012 110.818 108.800 0.009 0.000 2.217 155 G HA2 -0.349 3.620 3.960 0.016 0.000 0.246 155 G HA3 -0.349 3.620 3.960 0.016 0.000 0.246 155 G C 0.903 175.798 174.900 -0.009 0.000 0.990 155 G CA 0.366 45.466 45.100 0.000 0.000 0.627 155 G HN 0.696 nan 8.290 nan 0.000 0.522 156 A N -0.446 122.369 122.820 -0.007 0.000 1.969 156 A HA 0.508 4.838 4.320 0.016 0.000 0.218 156 A C 1.486 179.043 177.584 -0.046 0.000 1.169 156 A CA 2.480 54.506 52.037 -0.019 0.000 0.635 156 A CB -0.370 18.626 19.000 -0.007 0.000 0.810 156 A HN 1.946 nan 8.150 nan 0.000 0.445 157 V N -1.782 118.112 119.914 -0.033 0.000 2.914 157 V HA 0.766 4.896 4.120 0.016 0.000 0.314 157 V C -1.207 174.873 176.094 -0.024 0.000 1.084 157 V CA -0.512 61.754 62.300 -0.057 0.000 0.963 157 V CB 1.925 33.750 31.823 0.004 0.000 1.025 157 V HN 0.512 nan 8.190 nan 0.000 0.432 158 D N 0.888 121.258 120.400 -0.050 0.000 2.921 158 D HA 0.279 4.928 4.640 0.016 0.000 0.329 158 D C 0.494 176.793 176.300 -0.001 0.000 1.293 158 D CA -0.553 53.440 54.000 -0.012 0.000 0.964 158 D CB 0.839 41.622 40.800 -0.028 0.000 1.435 158 D HN 0.388 nan 8.370 nan 0.000 0.548 159 Q N -0.648 119.160 119.800 0.012 0.000 2.364 159 Q HA 0.073 4.422 4.340 0.016 0.000 0.207 159 Q C 1.504 177.498 176.000 -0.010 0.000 0.970 159 Q CA 0.864 56.684 55.803 0.029 0.000 0.888 159 Q CB -0.023 28.729 28.738 0.023 0.000 0.951 159 Q HN 0.423 nan 8.270 nan 0.000 0.469 160 L N 0.395 121.580 121.223 -0.062 0.000 2.567 160 L HA 0.083 4.433 4.340 0.016 0.000 0.225 160 L C 0.598 177.346 176.870 -0.202 0.000 1.119 160 L CA -0.065 54.716 54.840 -0.099 0.000 0.871 160 L CB 0.092 42.103 42.059 -0.079 0.000 1.036 160 L HN 0.005 nan 8.230 nan 0.000 0.459 161 T N 0.440 114.812 114.554 -0.304 0.000 2.930 161 T HA 0.122 4.482 4.350 0.016 0.000 0.306 161 T C 1.130 175.412 174.700 -0.698 0.000 1.045 161 T CA 0.001 61.741 62.100 -0.601 0.000 1.134 161 T CB 1.244 69.575 68.868 -0.894 0.000 0.961 161 T HN 0.170 nan 8.240 nan 0.000 0.545 162 R N 0.782 120.908 120.500 -0.624 0.000 2.507 162 R HA 0.320 4.669 4.340 0.016 0.000 0.230 162 R C -0.581 175.563 176.300 -0.260 0.000 0.897 162 R CA -0.139 55.753 56.100 -0.347 0.000 1.006 162 R CB 0.231 30.381 30.300 -0.251 0.000 1.341 162 R HN 0.460 nan 8.270 nan 0.000 0.604 163 L N 0.367 121.356 121.223 -0.390 0.000 2.526 163 L HA 0.499 4.848 4.340 0.016 0.000 0.263 163 L C -1.742 175.020 176.870 -0.179 0.000 0.943 163 L CA -0.729 53.994 54.840 -0.195 0.000 0.859 163 L CB 2.517 44.442 42.059 -0.223 0.000 1.313 163 L HN -0.251 nan 8.230 nan 0.000 0.406 164 V N 5.828 125.749 119.914 0.012 0.000 2.525 164 V HA 0.522 4.652 4.120 0.016 0.000 0.299 164 V C -0.505 175.639 176.094 0.083 0.000 1.034 164 V CA -0.475 61.849 62.300 0.038 0.000 0.863 164 V CB 1.743 33.626 31.823 0.101 0.000 0.999 164 V HN 0.627 nan 8.190 nan 0.000 0.423 165 L N 6.016 127.252 121.223 0.022 0.000 2.322 165 L HA 0.868 5.218 4.340 0.016 0.000 0.281 165 L C -0.495 176.388 176.870 0.023 0.000 1.014 165 L CA -0.844 53.995 54.840 -0.001 0.000 0.815 165 L CB 1.871 43.916 42.059 -0.024 0.000 1.247 165 L HN 0.593 nan 8.230 nan 0.000 0.421 166 V N -0.036 119.889 119.914 0.018 0.000 2.971 166 V HA 0.581 4.710 4.120 0.016 0.000 0.309 166 V C -1.050 175.094 176.094 0.083 0.000 1.130 166 V CA -0.693 61.649 62.300 0.069 0.000 0.964 166 V CB 2.061 33.974 31.823 0.149 0.000 1.029 166 V HN 0.864 nan 8.190 nan 0.000 0.427 167 N N 2.289 121.061 118.700 0.119 0.000 2.354 167 N HA 0.701 5.450 4.740 0.016 0.000 0.287 167 N C -0.779 174.857 175.510 0.208 0.000 1.016 167 N CA -0.120 53.010 53.050 0.133 0.000 0.871 167 N CB 2.357 40.862 38.487 0.030 0.000 1.299 167 N HN 1.264 nan 8.380 nan 0.000 0.482 168 A N 3.698 126.678 122.820 0.267 0.000 2.258 168 A HA 0.532 4.862 4.320 0.016 0.000 0.316 168 A C -1.062 176.641 177.584 0.197 0.000 1.279 168 A CA -0.630 51.543 52.037 0.226 0.000 0.876 168 A CB 0.602 19.691 19.000 0.148 0.000 1.170 168 A HN 0.612 nan 8.150 nan 0.000 0.520 169 L N 3.022 124.381 121.223 0.226 0.000 2.362 169 L HA 0.721 5.070 4.340 0.016 0.000 0.275 169 L C -1.361 175.739 176.870 0.382 0.000 0.998 169 L CA -0.561 54.435 54.840 0.260 0.000 0.820 169 L CB 1.490 43.665 42.059 0.193 0.000 1.270 169 L HN 0.629 nan 8.230 nan 0.000 0.415 170 Y N 5.653 126.083 120.300 0.216 0.000 2.406 170 Y HA 0.647 5.207 4.550 0.016 0.000 0.340 170 Y C -1.996 174.056 175.900 0.254 0.000 0.975 170 Y CA -1.089 57.127 58.100 0.194 0.000 1.056 170 Y CB 1.626 40.126 38.460 0.067 0.000 1.210 170 Y HN 0.580 nan 8.280 nan 0.000 0.448 171 F N 7.097 126.674 119.950 -0.622 0.000 2.547 171 F HA 0.555 5.092 4.527 0.018 0.000 0.316 171 F C -1.882 173.437 175.800 -0.801 0.000 1.121 171 F CA -0.818 56.877 58.000 -0.509 0.000 0.911 171 F CB 1.438 40.365 39.000 -0.121 0.000 1.179 171 F HN 0.562 nan 8.300 nan 0.000 0.443 172 N N 3.665 121.603 118.700 -1.270 0.000 2.540 172 N HA 0.573 5.322 4.740 0.016 0.000 0.275 172 N C -0.978 173.872 175.510 -1.101 0.000 1.053 172 N CA -0.224 52.174 53.050 -1.087 0.000 0.876 172 N CB 1.689 39.877 38.487 -0.499 0.000 1.284 172 N HN 0.944 nan 8.380 nan 0.000 0.518 173 G N 1.045 109.018 108.800 -1.379 0.000 2.498 173 G HA2 0.499 4.469 3.960 0.016 0.000 0.312 173 G HA3 0.499 4.469 3.960 0.016 0.000 0.312 173 G C -1.362 173.260 174.900 -0.463 0.000 1.230 173 G CA -0.347 44.217 45.100 -0.893 0.000 0.968 173 G HN 0.477 nan 8.290 nan 0.000 0.481 174 Q N 0.314 120.058 119.800 -0.095 0.000 2.337 174 Q HA 0.450 4.799 4.340 0.016 0.000 0.266 174 Q C -1.040 175.066 176.000 0.178 0.000 1.023 174 Q CA -0.837 54.892 55.803 -0.123 0.000 0.829 174 Q CB 1.041 29.584 28.738 -0.325 0.000 1.306 174 Q HN 0.588 nan 8.270 nan 0.000 0.449 175 W N 3.400 124.819 121.300 0.199 0.000 2.170 175 W HA 0.127 4.796 4.660 0.015 0.000 0.342 175 W C 1.401 177.967 176.519 0.079 0.000 1.294 175 W CA -0.207 57.193 57.345 0.092 0.000 1.246 175 W CB 0.663 30.138 29.460 0.025 0.000 1.156 175 W HN 0.730 nan 8.180 nan 0.000 0.572 176 K N 0.294 120.897 120.400 0.337 0.000 2.148 176 K HA -0.101 4.229 4.320 0.016 0.000 0.204 176 K C 0.536 177.206 176.600 0.117 0.000 1.050 176 K CA 1.433 57.849 56.287 0.214 0.000 0.942 176 K CB -0.017 32.570 32.500 0.146 0.000 0.724 176 K HN 0.515 nan 8.250 nan 0.000 0.446 177 T N 0.766 115.357 114.554 0.062 0.000 3.038 177 T HA 0.351 4.710 4.350 0.016 0.000 0.344 177 T C -2.688 171.943 174.700 -0.115 0.000 1.054 177 T CA -2.000 60.069 62.100 -0.050 0.000 1.092 177 T CB 1.641 70.419 68.868 -0.150 0.000 1.031 177 T HN -0.063 nan 8.240 nan 0.000 0.482 178 P HA 0.245 nan 4.420 nan 0.000 0.271 178 P C -0.669 176.579 177.300 -0.087 0.000 1.233 178 P CA -0.492 62.665 63.100 0.095 0.000 0.789 178 P CB 0.564 32.376 31.700 0.187 0.000 0.951 179 F N 0.798 120.744 119.950 -0.008 0.000 2.410 179 F HA 0.301 4.838 4.527 0.016 0.000 0.348 179 F C -1.536 174.262 175.800 -0.003 0.000 1.106 179 F CA -2.061 55.913 58.000 -0.044 0.000 1.163 179 F CB -0.286 38.666 39.000 -0.079 0.000 1.129 179 F HN 0.116 nan 8.300 nan 0.000 0.516 180 P HA -0.036 nan 4.420 nan 0.000 0.266 180 P C 0.616 177.975 177.300 0.100 0.000 1.215 180 P CA 0.199 63.354 63.100 0.091 0.000 0.763 180 P CB 0.573 32.308 31.700 0.059 0.000 0.806 181 D N 2.217 122.665 120.400 0.080 0.000 2.190 181 D HA -0.162 4.488 4.640 0.016 0.000 0.200 181 D C 1.514 177.846 176.300 0.053 0.000 0.992 181 D CA 1.833 55.870 54.000 0.062 0.000 0.854 181 D CB 0.204 41.032 40.800 0.048 0.000 0.936 181 D HN 0.398 nan 8.370 nan 0.000 0.462 182 S N -0.599 115.133 115.700 0.054 0.000 2.423 182 S HA -0.061 4.419 4.470 0.016 0.000 0.231 182 S C 2.009 176.656 174.600 0.078 0.000 1.014 182 S CA 0.769 59.003 58.200 0.057 0.000 0.965 182 S CB -0.024 63.204 63.200 0.047 0.000 0.785 182 S HN -0.000 nan 8.310 nan 0.000 0.495 183 S N 1.337 117.081 115.700 0.074 0.000 2.561 183 S HA 0.102 4.582 4.470 0.016 0.000 0.225 183 S C 0.478 175.082 174.600 0.007 0.000 0.977 183 S CA 0.281 58.526 58.200 0.074 0.000 0.926 183 S CB -0.290 62.949 63.200 0.066 0.000 0.769 183 S HN 0.620 nan 8.310 nan 0.000 0.533 184 T N 4.083 118.640 114.554 0.005 0.000 2.794 184 T HA 0.293 4.652 4.350 0.016 0.000 0.296 184 T C -0.122 174.584 174.700 0.011 0.000 0.949 184 T CA -0.242 61.819 62.100 -0.065 0.000 1.101 184 T CB 0.129 68.975 68.868 -0.036 0.000 0.905 184 T HN 0.532 nan 8.240 nan 0.000 0.516 185 H N 0.902 119.974 119.070 0.003 0.000 3.014 185 H HA 0.422 4.987 4.556 0.016 0.000 0.337 185 H C -0.936 174.396 175.328 0.007 0.000 1.320 185 H CA -1.280 54.772 56.048 0.006 0.000 1.128 185 H CB 1.009 30.777 29.762 0.009 0.000 1.862 185 H HN 0.376 nan 8.280 nan 0.000 0.536 186 R N 1.658 122.279 120.500 0.203 0.000 2.537 186 R HA 0.327 4.677 4.340 0.016 0.000 0.280 186 R C -0.028 176.377 176.300 0.175 0.000 1.058 186 R CA 0.091 56.268 56.100 0.128 0.000 1.057 186 R CB 0.661 31.011 30.300 0.084 0.000 0.973 186 R HN 0.565 nan 8.270 nan 0.000 0.438 187 R N 1.991 122.554 120.500 0.105 0.000 2.799 187 R HA 0.396 4.746 4.340 0.016 0.000 0.270 187 R C -0.760 175.578 176.300 0.063 0.000 1.010 187 R CA -1.052 55.108 56.100 0.099 0.000 0.916 187 R CB 1.457 31.809 30.300 0.087 0.000 1.228 187 R HN 0.322 nan 8.270 nan 0.000 0.469 188 L N 1.841 123.079 121.223 0.025 0.000 2.331 188 L HA 0.366 4.716 4.340 0.016 0.000 0.278 188 L C -0.474 176.320 176.870 -0.127 0.000 1.106 188 L CA -0.086 54.711 54.840 -0.071 0.000 0.824 188 L CB 0.263 42.233 42.059 -0.147 0.000 1.142 188 L HN 0.418 nan 8.230 nan 0.000 0.443 189 F N 2.185 121.972 119.950 -0.271 0.000 2.458 189 F HA 0.384 4.921 4.527 0.016 0.000 0.336 189 F C -0.164 175.441 175.800 -0.324 0.000 1.114 189 F CA -0.578 57.304 58.000 -0.197 0.000 0.987 189 F CB 0.946 39.916 39.000 -0.049 0.000 1.130 189 F HN 0.382 nan 8.300 nan 0.000 0.458 190 H N 4.945 123.788 119.070 -0.378 0.000 2.641 190 H HA 0.317 4.882 4.556 0.016 0.000 0.295 190 H C -0.431 174.757 175.328 -0.234 0.000 1.070 190 H CA -0.689 55.232 56.048 -0.211 0.000 1.257 190 H CB 0.755 30.403 29.762 -0.189 0.000 1.393 190 H HN 0.463 nan 8.280 nan 0.000 0.464 191 K N 0.969 121.434 120.400 0.108 0.000 2.219 191 K HA 0.025 4.355 4.320 0.016 0.000 0.258 191 K C 1.203 177.847 176.600 0.074 0.000 1.008 191 K CA 0.174 56.556 56.287 0.159 0.000 0.928 191 K CB 0.802 33.413 32.500 0.185 0.000 0.983 191 K HN 0.686 nan 8.250 nan 0.000 0.484 192 S N 0.617 116.356 115.700 0.066 0.000 2.400 192 S HA -0.179 4.301 4.470 0.016 0.000 0.232 192 S C 1.311 175.924 174.600 0.023 0.000 1.025 192 S CA 1.648 59.865 58.200 0.028 0.000 0.993 192 S CB -0.348 62.865 63.200 0.022 0.000 0.808 192 S HN 0.800 nan 8.310 nan 0.000 0.478 193 D N 0.761 121.181 120.400 0.034 0.000 2.378 193 D HA 0.177 4.827 4.640 0.016 0.000 0.227 193 D C 1.476 177.793 176.300 0.028 0.000 1.012 193 D CA 0.814 54.829 54.000 0.026 0.000 0.905 193 D CB -0.755 40.061 40.800 0.027 0.000 0.895 193 D HN 0.680 nan 8.370 nan 0.000 0.532 194 G N 0.037 108.859 108.800 0.037 0.000 2.213 194 G HA2 -0.290 3.680 3.960 0.016 0.000 0.236 194 G HA3 -0.290 3.680 3.960 0.016 0.000 0.236 194 G C 0.468 175.407 174.900 0.065 0.000 0.991 194 G CA 0.431 45.556 45.100 0.042 0.000 0.629 194 G HN 0.835 nan 8.290 nan 0.000 0.517 195 S N -0.192 115.547 115.700 0.065 0.000 2.608 195 S HA 0.672 5.152 4.470 0.016 0.000 0.261 195 S C 0.036 174.686 174.600 0.084 0.000 1.314 195 S CA 0.870 59.110 58.200 0.067 0.000 0.992 195 S CB 1.739 64.972 63.200 0.056 0.000 0.935 195 S HN 0.824 nan 8.310 nan 0.000 0.564 196 T N 1.013 115.603 114.554 0.060 0.000 2.881 196 T HA 0.630 4.990 4.350 0.016 0.000 0.290 196 T C -0.423 174.290 174.700 0.021 0.000 1.000 196 T CA -0.649 61.461 62.100 0.015 0.000 0.978 196 T CB 1.254 70.120 68.868 -0.002 0.000 0.997 196 T HN 1.149 nan 8.240 nan 0.000 0.443 197 V N -0.225 119.708 119.914 0.033 0.000 2.914 197 V HA 0.915 5.044 4.120 0.016 0.000 0.314 197 V C -0.169 175.943 176.094 0.030 0.000 1.084 197 V CA -0.951 61.371 62.300 0.036 0.000 0.963 197 V CB 2.081 33.929 31.823 0.042 0.000 1.025 197 V HN 0.813 nan 8.190 nan 0.000 0.432 198 S N 2.258 117.971 115.700 0.021 0.000 2.422 198 S HA 0.752 5.232 4.470 0.016 0.000 0.308 198 S C -0.477 174.136 174.600 0.023 0.000 1.097 198 S CA -0.065 58.150 58.200 0.025 0.000 1.099 198 S CB 0.352 63.566 63.200 0.023 0.000 0.976 198 S HN 2.008 nan 8.310 nan 0.000 0.471 199 V N 2.874 122.808 119.914 0.032 0.000 2.962 199 V HA 0.792 4.922 4.120 0.016 0.000 0.313 199 V C -3.093 173.013 176.094 0.020 0.000 1.099 199 V CA -2.976 59.331 62.300 0.012 0.000 0.971 199 V CB 1.379 33.185 31.823 -0.029 0.000 1.028 199 V HN 0.588 nan 8.190 nan 0.000 0.430 200 P HA 0.410 nan 4.420 nan 0.000 0.271 200 P C -0.696 176.582 177.300 -0.036 0.000 1.226 200 P CA 0.302 63.396 63.100 -0.011 0.000 0.765 200 P CB 0.340 32.030 31.700 -0.016 0.000 0.835 201 M N 3.430 122.981 119.600 -0.082 0.000 2.326 201 M HA 0.431 4.921 4.480 0.016 0.000 0.306 201 M C -0.124 176.052 176.300 -0.205 0.000 1.054 201 M CA -0.597 54.630 55.300 -0.122 0.000 0.922 201 M CB 1.968 34.514 32.600 -0.089 0.000 1.632 201 M HN 0.186 nan 8.290 nan 0.000 0.436 202 M N 1.999 121.441 119.600 -0.264 0.000 2.288 202 M HA 0.726 5.215 4.480 0.016 0.000 0.334 202 M C -0.185 176.009 176.300 -0.176 0.000 1.150 202 M CA -0.435 54.675 55.300 -0.316 0.000 1.118 202 M CB 1.357 33.500 32.600 -0.762 0.000 1.501 202 M HN 0.751 nan 8.290 nan 0.000 0.462 203 A N 2.308 125.153 122.820 0.041 0.000 2.449 203 A HA 0.724 5.053 4.320 0.016 0.000 0.302 203 A C -1.299 176.444 177.584 0.265 0.000 1.048 203 A CA -0.555 51.560 52.037 0.131 0.000 0.708 203 A CB 2.075 21.081 19.000 0.011 0.000 1.274 203 A HN 0.802 nan 8.150 nan 0.000 0.410 204 Q N 0.728 120.662 119.800 0.223 0.000 2.352 204 Q HA 0.530 4.879 4.340 0.016 0.000 0.270 204 Q C -1.646 174.417 176.000 0.106 0.000 1.006 204 Q CA -0.357 55.503 55.803 0.095 0.000 0.880 204 Q CB 2.170 30.830 28.738 -0.131 0.000 1.392 204 Q HN 0.660 nan 8.270 nan 0.000 0.401 205 T N 3.277 117.831 114.554 0.000 0.000 2.779 205 T HA 0.641 5.000 4.350 0.016 0.000 0.280 205 T C -0.903 173.670 174.700 -0.212 0.000 0.987 205 T CA -0.450 61.629 62.100 -0.034 0.000 0.966 205 T CB 0.905 69.751 68.868 -0.037 0.000 0.933 205 T HN 0.602 nan 8.240 nan 0.000 0.442 206 N N 1.445 119.905 118.700 -0.400 0.000 3.355 206 N HA 0.201 4.951 4.740 0.016 0.000 0.238 206 N C -1.812 173.261 175.510 -0.727 0.000 1.466 206 N CA -0.756 51.892 53.050 -0.670 0.000 0.882 206 N CB 1.260 39.117 38.487 -1.051 0.000 1.406 206 N HN 0.314 nan 8.380 nan 0.000 0.500 207 K N 1.416 121.474 120.400 -0.569 0.000 2.250 207 K HA 0.347 4.676 4.320 0.016 0.000 0.280 207 K C -0.856 175.525 176.600 -0.366 0.000 1.098 207 K CA -0.115 55.969 56.287 -0.337 0.000 0.916 207 K CB 0.178 32.567 32.500 -0.186 0.000 1.209 207 K HN 0.248 nan 8.250 nan 0.000 0.461 208 F N 0.916 120.838 119.950 -0.048 0.000 2.432 208 F HA 0.234 4.771 4.527 0.016 0.000 0.329 208 F C 1.026 176.848 175.800 0.036 0.000 1.076 208 F CA -1.093 56.889 58.000 -0.030 0.000 1.018 208 F CB 0.707 39.686 39.000 -0.035 0.000 1.201 208 F HN 0.328 nan 8.300 nan 0.000 0.489 209 N N 1.865 120.716 118.700 0.251 0.000 2.452 209 N HA 0.072 4.822 4.740 0.016 0.000 0.266 209 N C -1.312 174.349 175.510 0.251 0.000 1.175 209 N CA 0.211 53.377 53.050 0.194 0.000 0.945 209 N CB 0.198 38.766 38.487 0.135 0.000 1.063 209 N HN 0.612 nan 8.380 nan 0.000 0.472 210 Y N 0.997 121.357 120.300 0.100 0.000 2.588 210 Y HA 0.541 5.101 4.550 0.018 0.000 0.343 210 Y C -0.672 175.272 175.900 0.075 0.000 1.065 210 Y CA -0.528 57.615 58.100 0.072 0.000 1.038 210 Y CB 1.896 40.397 38.460 0.067 0.000 1.297 210 Y HN 0.381 nan 8.280 nan 0.000 0.467 211 T N 3.212 117.210 114.554 -0.927 0.000 2.840 211 T HA 0.326 4.686 4.350 0.016 0.000 0.317 211 T C -2.268 171.926 174.700 -0.843 0.000 1.401 211 T CA -0.692 61.047 62.100 -0.601 0.000 1.028 211 T CB 1.524 70.343 68.868 -0.081 0.000 1.317 211 T HN 0.779 nan 8.240 nan 0.000 0.495 212 E N 2.380 122.386 120.200 -0.324 0.000 2.218 212 E HA 0.574 4.933 4.350 0.016 0.000 0.263 212 E C -1.409 175.183 176.600 -0.013 0.000 0.879 212 E CA -0.566 55.707 56.400 -0.213 0.000 0.762 212 E CB 0.766 30.423 29.700 -0.071 0.000 1.166 212 E HN 0.345 nan 8.360 nan 0.000 0.415 213 F N 1.102 120.677 119.950 -0.624 0.000 2.518 213 F HA 0.521 5.057 4.527 0.014 0.000 0.338 213 F C 0.574 176.149 175.800 -0.376 0.000 1.065 213 F CA -0.601 57.086 58.000 -0.521 0.000 1.012 213 F CB 1.959 40.595 39.000 -0.607 0.000 1.297 213 F HN 0.373 nan 8.300 nan 0.000 0.489 214 T N -2.409 112.211 114.554 0.109 0.000 2.893 214 T HA 0.555 4.915 4.350 0.016 0.000 0.293 214 T C -0.391 174.536 174.700 0.378 0.000 1.027 214 T CA -0.904 61.341 62.100 0.242 0.000 0.988 214 T CB 1.145 70.093 68.868 0.134 0.000 1.043 214 T HN 0.692 nan 8.240 nan 0.000 0.461 215 T N 0.344 115.132 114.554 0.390 0.000 2.860 215 T HA 0.331 4.690 4.350 0.016 0.000 0.299 215 T C -1.683 173.103 174.700 0.143 0.000 1.045 215 T CA -1.397 60.880 62.100 0.296 0.000 1.071 215 T CB 0.149 69.154 68.868 0.228 0.000 0.985 215 T HN 0.305 nan 8.240 nan 0.000 0.537 216 P HA -0.103 nan 4.420 nan 0.000 0.218 216 P C 1.027 178.327 177.300 -0.001 0.000 1.146 216 P CA 1.086 64.219 63.100 0.056 0.000 0.813 216 P CB -0.029 31.706 31.700 0.058 0.000 0.778 217 D N -2.103 118.277 120.400 -0.033 0.000 2.325 217 D HA 0.091 4.741 4.640 0.016 0.000 0.225 217 D C 1.159 177.281 176.300 -0.296 0.000 1.096 217 D CA 0.424 54.350 54.000 -0.122 0.000 0.844 217 D CB -0.664 40.082 40.800 -0.089 0.000 0.925 217 D HN 0.210 nan 8.370 nan 0.000 0.513 218 G N 0.763 109.421 108.800 -0.236 0.000 2.141 218 G HA2 -0.207 3.763 3.960 0.016 0.000 0.231 218 G HA3 -0.207 3.763 3.960 0.016 0.000 0.231 218 G C -0.242 174.384 174.900 -0.456 0.000 0.984 218 G CA -0.350 44.569 45.100 -0.301 0.000 0.660 218 G HN 0.523 nan 8.290 nan 0.000 0.525 219 H N -0.054 118.947 119.070 -0.116 0.000 2.488 219 H HA 0.492 5.058 4.556 0.016 0.000 0.322 219 H C 0.382 175.681 175.328 -0.048 0.000 1.078 219 H CA -0.630 55.288 56.048 -0.217 0.000 1.260 219 H CB 0.390 30.118 29.762 -0.057 0.000 1.425 219 H HN 0.402 nan 8.280 nan 0.000 0.471 220 Y N 2.164 122.636 120.300 0.288 0.000 2.304 220 Y HA 0.359 4.918 4.550 0.016 0.000 0.327 220 Y C 0.045 176.153 175.900 0.348 0.000 1.209 220 Y CA -1.188 57.042 58.100 0.218 0.000 1.299 220 Y CB 0.274 38.764 38.460 0.050 0.000 1.249 220 Y HN 0.488 nan 8.280 nan 0.000 0.519 221 Y N -1.524 118.963 120.300 0.311 0.000 2.534 221 Y HA 0.571 5.130 4.550 0.015 0.000 0.345 221 Y C -1.448 174.514 175.900 0.104 0.000 1.031 221 Y CA -1.905 56.319 58.100 0.207 0.000 1.022 221 Y CB 1.266 39.804 38.460 0.130 0.000 1.292 221 Y HN 0.515 nan 8.280 nan 0.000 0.459 222 D N 3.207 123.729 120.400 0.204 0.000 2.210 222 D HA 0.484 5.134 4.640 0.016 0.000 0.249 222 D C -0.786 175.440 176.300 -0.124 0.000 1.062 222 D CA 0.146 54.173 54.000 0.045 0.000 0.891 222 D CB 2.390 43.355 40.800 0.275 0.000 1.186 222 D HN 0.530 nan 8.370 nan 0.000 0.432 223 I N 1.698 122.036 120.570 -0.386 0.000 2.499 223 I HA 0.334 4.513 4.170 0.016 0.000 0.288 223 I C -0.605 175.376 176.117 -0.227 0.000 1.048 223 I CA -0.549 60.498 61.300 -0.422 0.000 1.062 223 I CB 2.120 39.616 38.000 -0.839 0.000 1.238 223 I HN 0.116 nan 8.210 nan 0.000 0.426 224 L N 5.262 126.450 121.223 -0.058 0.000 2.381 224 L HA 0.608 4.958 4.340 0.016 0.000 0.268 224 L C -0.668 176.172 176.870 -0.050 0.000 0.997 224 L CA -0.351 54.483 54.840 -0.011 0.000 0.818 224 L CB 2.055 44.070 42.059 -0.073 0.000 1.310 224 L HN 0.668 nan 8.230 nan 0.000 0.416 225 E N 4.688 124.837 120.200 -0.085 0.000 2.156 225 E HA 0.414 4.774 4.350 0.016 0.000 0.279 225 E C -1.628 174.846 176.600 -0.210 0.000 0.965 225 E CA -0.615 55.613 56.400 -0.288 0.000 0.789 225 E CB 1.278 30.790 29.700 -0.313 0.000 1.098 225 E HN 0.598 nan 8.360 nan 0.000 0.397 226 L N 7.685 128.755 121.223 -0.255 0.000 2.337 226 L HA 0.416 4.765 4.340 0.016 0.000 0.269 226 L C -2.166 174.617 176.870 -0.146 0.000 1.018 226 L CA -2.022 52.699 54.840 -0.198 0.000 0.876 226 L CB 1.366 43.230 42.059 -0.325 0.000 1.236 226 L HN 0.401 nan 8.230 nan 0.000 0.436 227 P HA 0.132 nan 4.420 nan 0.000 0.277 227 P C -1.203 176.113 177.300 0.027 0.000 1.240 227 P CA -0.234 62.855 63.100 -0.019 0.000 0.798 227 P CB 0.899 32.621 31.700 0.036 0.000 0.979 228 Y N 0.686 121.153 120.300 0.278 0.000 2.354 228 Y HA 0.087 4.646 4.550 0.016 0.000 0.322 228 Y C 2.480 178.523 175.900 0.239 0.000 1.253 228 Y CA 0.076 58.350 58.100 0.291 0.000 1.272 228 Y CB 0.211 38.824 38.460 0.256 0.000 1.255 228 Y HN 0.506 nan 8.280 nan 0.000 0.500 229 H N -0.571 118.662 119.070 0.270 0.000 2.492 229 H HA -0.108 4.458 4.556 0.016 0.000 0.296 229 H C 1.547 176.959 175.328 0.140 0.000 1.095 229 H CA 1.449 57.596 56.048 0.166 0.000 1.281 229 H CB -0.666 29.171 29.762 0.125 0.000 1.374 229 H HN 0.841 nan 8.280 nan 0.000 0.545 230 G N -0.010 108.630 108.800 -0.268 0.000 2.813 230 G HA2 -0.106 3.864 3.960 0.016 0.000 0.209 230 G HA3 -0.106 3.864 3.960 0.016 0.000 0.209 230 G C 0.162 175.056 174.900 -0.009 0.000 1.150 230 G CA 0.416 45.384 45.100 -0.221 0.000 0.785 230 G HN 0.431 nan 8.290 nan 0.000 0.535 231 D N -0.914 119.523 120.400 0.062 0.000 3.046 231 D HA -0.207 4.442 4.640 0.016 0.000 0.210 231 D C 1.754 178.095 176.300 0.069 0.000 1.124 231 D CA 1.774 55.820 54.000 0.076 0.000 0.986 231 D CB -1.425 39.410 40.800 0.058 0.000 1.118 231 D HN 0.640 nan 8.370 nan 0.000 0.416 232 T N -2.941 111.655 114.554 0.070 0.000 2.969 232 T HA 0.386 4.746 4.350 0.016 0.000 0.250 232 T C 0.909 175.601 174.700 -0.013 0.000 1.021 232 T CA -0.126 61.969 62.100 -0.008 0.000 1.003 232 T CB 0.743 69.606 68.868 -0.009 0.000 1.040 232 T HN 0.076 nan 8.240 nan 0.000 0.492 233 L N 1.330 122.644 121.223 0.152 0.000 2.334 233 L HA 0.769 5.118 4.340 0.016 0.000 0.273 233 L C -0.454 176.654 176.870 0.396 0.000 1.013 233 L CA -0.577 54.416 54.840 0.255 0.000 0.816 233 L CB 2.379 44.591 42.059 0.255 0.000 1.278 233 L HN 0.063 nan 8.230 nan 0.000 0.431 234 S N 1.861 117.782 115.700 0.368 0.000 2.579 234 S HA 0.611 5.090 4.470 0.016 0.000 0.272 234 S C -1.172 173.581 174.600 0.255 0.000 1.141 234 S CA -0.669 57.639 58.200 0.180 0.000 0.843 234 S CB 2.128 65.231 63.200 -0.162 0.000 1.122 234 S HN 0.588 nan 8.310 nan 0.000 0.468 235 M N 2.774 122.442 119.600 0.113 0.000 2.167 235 M HA 0.588 5.078 4.480 0.016 0.000 0.333 235 M C -2.074 174.273 176.300 0.078 0.000 1.030 235 M CA -0.502 54.988 55.300 0.317 0.000 0.963 235 M CB 0.390 33.287 32.600 0.496 0.000 1.589 235 M HN 0.578 nan 8.290 nan 0.000 0.431 236 F N 6.176 126.315 119.950 0.315 0.000 2.420 236 F HA 0.539 5.078 4.527 0.019 0.000 0.342 236 F C 0.151 176.110 175.800 0.266 0.000 1.113 236 F CA -0.750 57.396 58.000 0.244 0.000 1.059 236 F CB 1.199 40.383 39.000 0.306 0.000 1.128 236 F HN 0.482 nan 8.300 nan 0.000 0.475 237 I N 0.964 121.708 120.570 0.290 0.000 2.465 237 I HA 0.968 5.147 4.170 0.016 0.000 0.291 237 I C -1.034 175.154 176.117 0.119 0.000 1.014 237 I CA -0.768 60.690 61.300 0.264 0.000 1.093 237 I CB 1.832 39.911 38.000 0.132 0.000 1.267 237 I HN 0.592 nan 8.210 nan 0.000 0.431 238 A N 4.668 127.583 122.820 0.157 0.000 2.475 238 A HA 1.018 5.348 4.320 0.016 0.000 0.301 238 A C -0.855 176.823 177.584 0.156 0.000 1.059 238 A CA -0.322 51.742 52.037 0.044 0.000 0.710 238 A CB 1.845 20.739 19.000 -0.177 0.000 1.288 238 A HN 1.531 nan 8.150 nan 0.000 0.408 239 A N 1.875 124.787 122.820 0.154 0.000 2.594 239 A HA 0.811 5.140 4.320 0.016 0.000 0.296 239 A C -3.335 174.370 177.584 0.200 0.000 1.061 239 A CA -1.222 50.915 52.037 0.167 0.000 0.689 239 A CB 0.996 20.102 19.000 0.176 0.000 1.280 239 A HN 0.485 nan 8.150 nan 0.000 0.406 240 P HA 0.165 nan 4.420 nan 0.000 0.269 240 P C 0.183 177.623 177.300 0.233 0.000 1.209 240 P CA 0.188 63.420 63.100 0.221 0.000 0.776 240 P CB 0.315 32.073 31.700 0.097 0.000 0.876 241 Y N 2.610 123.038 120.300 0.213 0.000 2.163 241 Y HA -0.121 4.439 4.550 0.016 0.000 0.288 241 Y C 0.531 176.510 175.900 0.131 0.000 1.136 241 Y CA 1.342 59.560 58.100 0.198 0.000 1.147 241 Y CB -0.055 38.598 38.460 0.321 0.000 0.987 241 Y HN 0.370 nan 8.280 nan 0.000 0.509 242 E N 1.219 121.574 120.200 0.258 0.000 2.290 242 E HA 0.025 4.385 4.350 0.016 0.000 0.277 242 E C 0.666 177.255 176.600 -0.019 0.000 1.035 242 E CA -0.116 56.346 56.400 0.103 0.000 0.873 242 E CB 1.261 31.031 29.700 0.116 0.000 1.029 242 E HN 0.224 nan 8.360 nan 0.000 0.419 243 K N 2.643 122.999 120.400 -0.074 0.000 2.362 243 K HA -0.171 4.159 4.320 0.016 0.000 0.200 243 K C 0.685 177.233 176.600 -0.087 0.000 1.046 243 K CA 1.170 57.398 56.287 -0.098 0.000 0.952 243 K CB 0.275 32.687 32.500 -0.147 0.000 0.753 243 K HN 0.374 nan 8.250 nan 0.000 0.466 244 E N -0.216 119.938 120.200 -0.077 0.000 2.285 244 E HA -0.017 4.343 4.350 0.016 0.000 0.194 244 E C -0.061 176.473 176.600 -0.109 0.000 0.997 244 E CA 0.212 56.563 56.400 -0.080 0.000 0.845 244 E CB 0.279 29.941 29.700 -0.063 0.000 0.782 244 E HN -0.046 nan 8.360 nan 0.000 0.491 245 V N 4.484 124.312 119.914 -0.144 0.000 2.455 245 V HA 0.145 4.275 4.120 0.016 0.000 0.273 245 V C -1.902 174.124 176.094 -0.114 0.000 1.045 245 V CA -1.639 60.533 62.300 -0.212 0.000 0.976 245 V CB 0.518 32.148 31.823 -0.320 0.000 0.993 245 V HN 0.109 nan 8.190 nan 0.000 0.475 246 P HA 0.101 nan 4.420 nan 0.000 0.275 246 P C 0.669 177.947 177.300 -0.037 0.000 1.228 246 P CA -0.460 62.609 63.100 -0.051 0.000 0.786 246 P CB 1.411 33.085 31.700 -0.044 0.000 0.927 247 L N 3.333 124.547 121.223 -0.015 0.000 2.187 247 L HA -0.191 4.159 4.340 0.016 0.000 0.213 247 L C 2.445 179.304 176.870 -0.017 0.000 1.100 247 L CA 2.388 57.226 54.840 -0.003 0.000 0.765 247 L CB -1.404 40.668 42.059 0.022 0.000 0.904 247 L HN 0.499 nan 8.230 nan 0.000 0.437 248 S N -0.981 114.704 115.700 -0.025 0.000 2.440 248 S HA -0.188 4.292 4.470 0.016 0.000 0.238 248 S C 2.116 176.702 174.600 -0.024 0.000 1.010 248 S CA 0.852 59.033 58.200 -0.032 0.000 0.972 248 S CB -0.893 62.284 63.200 -0.038 0.000 0.774 248 S HN 0.495 nan 8.310 nan 0.000 0.501 249 A N 1.726 124.534 122.820 -0.020 0.000 1.972 249 A HA 0.153 4.482 4.320 0.016 0.000 0.219 249 A C 2.279 179.850 177.584 -0.021 0.000 1.169 249 A CA 1.339 53.378 52.037 0.002 0.000 0.635 249 A CB -0.589 18.424 19.000 0.022 0.000 0.810 249 A HN 0.585 nan 8.150 nan 0.000 0.446 250 L N -0.728 120.454 121.223 -0.068 0.000 2.145 250 L HA -0.068 4.281 4.340 0.016 0.000 0.201 250 L C 2.928 179.789 176.870 -0.015 0.000 1.075 250 L CA 1.585 56.355 54.840 -0.117 0.000 0.773 250 L CB -1.173 40.763 42.059 -0.204 0.000 0.936 250 L HN 0.584 nan 8.230 nan 0.000 0.451 251 T N -3.033 111.525 114.554 0.007 0.000 2.881 251 T HA -0.127 4.232 4.350 0.016 0.000 0.270 251 T C 1.567 176.262 174.700 -0.007 0.000 1.068 251 T CA 1.235 63.353 62.100 0.030 0.000 1.131 251 T CB -0.375 68.490 68.868 -0.006 0.000 0.871 251 T HN 0.186 nan 8.240 nan 0.000 0.479 252 N N 1.668 120.359 118.700 -0.016 0.000 2.409 252 N HA 0.115 4.865 4.740 0.016 0.000 0.179 252 N C 1.641 177.152 175.510 0.002 0.000 1.032 252 N CA 1.065 54.105 53.050 -0.018 0.000 0.898 252 N CB -0.168 38.311 38.487 -0.013 0.000 0.971 252 N HN 0.813 nan 8.380 nan 0.000 0.441 253 I N -2.893 117.689 120.570 0.019 0.000 4.025 253 I HA 0.256 4.436 4.170 0.016 0.000 0.336 253 I C -0.175 175.955 176.117 0.022 0.000 1.390 253 I CA -0.466 60.857 61.300 0.038 0.000 1.099 253 I CB 0.098 38.148 38.000 0.084 0.000 1.049 253 I HN -0.249 nan 8.210 nan 0.000 0.394 254 L N 2.776 124.004 121.223 0.008 0.000 2.490 254 L HA 0.316 4.666 4.340 0.016 0.000 0.274 254 L C 0.466 177.295 176.870 -0.070 0.000 1.201 254 L CA 0.734 55.556 54.840 -0.031 0.000 0.869 254 L CB 0.736 42.815 42.059 0.033 0.000 1.123 254 L HN 0.648 nan 8.230 nan 0.000 0.484 255 S N 1.883 117.488 115.700 -0.157 0.000 2.567 255 S HA 0.646 5.125 4.470 0.016 0.000 0.270 255 S C 0.356 174.808 174.600 -0.246 0.000 1.152 255 S CA -0.326 57.783 58.200 -0.152 0.000 0.835 255 S CB 0.879 64.004 63.200 -0.124 0.000 1.115 255 S HN 0.729 nan 8.310 nan 0.000 0.459 256 A N 0.951 123.658 122.820 -0.188 0.000 1.972 256 A HA -0.093 4.236 4.320 0.016 0.000 0.219 256 A C 2.084 179.473 177.584 -0.325 0.000 1.169 256 A CA 1.901 53.806 52.037 -0.219 0.000 0.635 256 A CB -1.001 17.930 19.000 -0.114 0.000 0.810 256 A HN 0.909 nan 8.150 nan 0.000 0.446 257 Q N -0.920 118.682 119.800 -0.329 0.000 2.119 257 Q HA -0.151 4.198 4.340 0.016 0.000 0.201 257 Q C 1.981 177.581 176.000 -0.668 0.000 0.972 257 Q CA 1.519 57.041 55.803 -0.468 0.000 0.847 257 Q CB -0.213 28.297 28.738 -0.379 0.000 0.903 257 Q HN 0.541 nan 8.270 nan 0.000 0.433 258 L N 0.825 121.725 121.223 -0.537 0.000 2.046 258 L HA -0.164 4.186 4.340 0.016 0.000 0.208 258 L C 2.025 178.268 176.870 -1.045 0.000 1.077 258 L CA 1.611 56.101 54.840 -0.583 0.000 0.747 258 L CB -0.378 41.402 42.059 -0.465 0.000 0.896 258 L HN 0.306 nan 8.230 nan 0.000 0.432 259 I N -1.210 118.714 120.570 -1.075 0.000 2.286 259 I HA -0.293 3.887 4.170 0.016 0.000 0.248 259 I C 2.323 178.069 176.117 -0.619 0.000 1.115 259 I CA 1.334 61.970 61.300 -1.106 0.000 1.392 259 I CB -0.451 37.098 38.000 -0.751 0.000 1.065 259 I HN 0.212 nan 8.210 nan 0.000 0.418 260 S N -0.678 114.751 115.700 -0.452 0.000 2.383 260 S HA -0.190 4.290 4.470 0.016 0.000 0.227 260 S C 1.833 176.412 174.600 -0.035 0.000 1.026 260 S CA 1.117 59.176 58.200 -0.235 0.000 0.981 260 S CB -0.513 62.535 63.200 -0.254 0.000 0.818 260 S HN 0.549 nan 8.310 nan 0.000 0.472 261 H N -0.873 118.129 119.070 -0.114 0.000 2.423 261 H HA -0.086 4.479 4.556 0.015 0.000 0.297 261 H C 1.797 177.263 175.328 0.230 0.000 1.075 261 H CA 1.015 57.120 56.048 0.095 0.000 1.342 261 H CB 0.028 29.907 29.762 0.195 0.000 1.395 261 H HN 0.388 nan 8.280 nan 0.000 0.530 262 W N 1.622 122.872 121.300 -0.085 0.000 2.354 262 W HA -0.139 4.533 4.660 0.020 0.000 0.315 262 W C 2.571 179.080 176.519 -0.017 0.000 1.206 262 W CA 0.907 58.071 57.345 -0.301 0.000 1.290 262 W CB -0.854 28.351 29.460 -0.425 0.000 1.152 262 W HN 0.110 nan 8.180 nan 0.000 0.489 263 K N 0.345 120.896 120.400 0.252 0.000 2.103 263 K HA -0.091 4.238 4.320 0.016 0.000 0.207 263 K C 2.194 178.939 176.600 0.242 0.000 1.048 263 K CA 2.071 58.543 56.287 0.308 0.000 0.930 263 K CB -1.124 31.527 32.500 0.251 0.000 0.716 263 K HN 0.043 nan 8.250 nan 0.000 0.444 264 G N -0.133 108.794 108.800 0.211 0.000 2.448 264 G HA2 -0.172 3.797 3.960 0.016 0.000 0.218 264 G HA3 -0.172 3.797 3.960 0.016 0.000 0.218 264 G C 1.218 176.225 174.900 0.179 0.000 1.135 264 G CA 0.410 45.617 45.100 0.179 0.000 0.784 264 G HN 0.353 nan 8.290 nan 0.000 0.543 265 N N 0.306 119.149 118.700 0.239 0.000 2.322 265 N HA 0.169 4.919 4.740 0.016 0.000 0.194 265 N C 0.494 176.115 175.510 0.185 0.000 1.126 265 N CA -0.028 53.156 53.050 0.223 0.000 0.845 265 N CB 0.214 38.914 38.487 0.355 0.000 0.976 265 N HN 0.324 nan 8.380 nan 0.000 0.475 266 M N 0.654 120.361 119.600 0.178 0.000 2.242 266 M HA 0.128 4.618 4.480 0.016 0.000 0.344 266 M C -0.023 176.357 176.300 0.133 0.000 1.140 266 M CA 0.661 56.052 55.300 0.152 0.000 1.160 266 M CB 0.949 33.655 32.600 0.178 0.000 1.491 266 M HN -0.204 nan 8.290 nan 0.000 0.459 267 T N 1.896 116.534 114.554 0.140 0.000 2.886 267 T HA 0.342 4.702 4.350 0.016 0.000 0.292 267 T C -0.507 174.277 174.700 0.140 0.000 1.012 267 T CA -0.777 61.397 62.100 0.123 0.000 0.982 267 T CB 1.755 70.693 68.868 0.117 0.000 1.018 267 T HN 0.574 nan 8.240 nan 0.000 0.451 268 R N 3.126 123.685 120.500 0.097 0.000 2.288 268 R HA 0.479 4.829 4.340 0.016 0.000 0.330 268 R C -0.970 175.366 176.300 0.060 0.000 1.069 268 R CA 0.052 56.200 56.100 0.079 0.000 0.941 268 R CB -0.135 30.188 30.300 0.037 0.000 0.998 268 R HN 0.515 nan 8.270 nan 0.000 0.452 269 L N 6.503 127.771 121.223 0.074 0.000 2.388 269 L HA 0.562 4.911 4.340 0.016 0.000 0.264 269 L C -2.186 174.674 176.870 -0.016 0.000 0.998 269 L CA -2.555 52.299 54.840 0.023 0.000 0.817 269 L CB 2.612 44.686 42.059 0.024 0.000 1.338 269 L HN 0.553 nan 8.230 nan 0.000 0.414 270 P HA 0.242 nan 4.420 nan 0.000 0.276 270 P C -1.171 176.101 177.300 -0.047 0.000 1.243 270 P CA -0.286 62.769 63.100 -0.075 0.000 0.768 270 P CB 1.090 32.747 31.700 -0.072 0.000 0.856 271 R N 2.265 122.773 120.500 0.013 0.000 2.707 271 R HA 0.459 4.809 4.340 0.016 0.000 0.272 271 R C -0.995 175.391 176.300 0.144 0.000 1.011 271 R CA -1.174 54.966 56.100 0.067 0.000 0.893 271 R CB 1.701 32.069 30.300 0.114 0.000 1.233 271 R HN 0.409 nan 8.270 nan 0.000 0.464 272 L N 2.823 124.094 121.223 0.081 0.000 2.265 272 L HA 0.474 4.824 4.340 0.016 0.000 0.289 272 L C -1.201 175.715 176.870 0.076 0.000 1.033 272 L CA -0.538 54.355 54.840 0.089 0.000 0.814 272 L CB 0.925 43.006 42.059 0.037 0.000 1.203 272 L HN 0.524 nan 8.230 nan 0.000 0.423 273 L N 6.479 127.771 121.223 0.115 0.000 2.296 273 L HA 0.665 5.015 4.340 0.016 0.000 0.286 273 L C -1.075 175.809 176.870 0.024 0.000 1.023 273 L CA -0.171 54.663 54.840 -0.010 0.000 0.812 273 L CB 1.731 43.662 42.059 -0.214 0.000 1.223 273 L HN 0.422 nan 8.230 nan 0.000 0.421 274 V N 6.613 126.503 119.914 -0.039 0.000 2.350 274 V HA 0.498 4.628 4.120 0.016 0.000 0.285 274 V C -0.646 175.379 176.094 -0.115 0.000 1.014 274 V CA -0.472 61.794 62.300 -0.057 0.000 0.831 274 V CB 1.326 33.122 31.823 -0.045 0.000 1.000 274 V HN 0.664 nan 8.190 nan 0.000 0.433 275 L N 8.578 129.701 121.223 -0.167 0.000 2.381 275 L HA 0.752 5.102 4.340 0.016 0.000 0.274 275 L C -2.716 174.066 176.870 -0.147 0.000 0.988 275 L CA -1.746 52.967 54.840 -0.212 0.000 0.824 275 L CB 2.692 44.578 42.059 -0.288 0.000 1.263 275 L HN 0.341 nan 8.230 nan 0.000 0.410 276 P HA 0.156 nan 4.420 nan 0.000 0.268 276 P C -1.477 175.920 177.300 0.162 0.000 1.205 276 P CA -0.211 62.958 63.100 0.115 0.000 0.771 276 P CB 0.304 32.151 31.700 0.246 0.000 0.858 277 K N 3.653 124.068 120.400 0.024 0.000 2.174 277 K HA 0.629 4.959 4.320 0.016 0.000 0.275 277 K C -0.565 176.072 176.600 0.062 0.000 1.015 277 K CA -0.458 55.785 56.287 -0.074 0.000 0.933 277 K CB 0.513 32.929 32.500 -0.140 0.000 1.025 277 K HN 0.396 nan 8.250 nan 0.000 0.463 278 F N -1.763 118.155 119.950 -0.053 0.000 2.626 278 F HA 0.568 5.105 4.527 0.016 0.000 0.311 278 F C -0.879 174.879 175.800 -0.069 0.000 1.088 278 F CA -1.192 56.769 58.000 -0.065 0.000 0.949 278 F CB 2.163 41.122 39.000 -0.067 0.000 1.322 278 F HN 0.451 nan 8.300 nan 0.000 0.461 279 S N 2.478 118.259 115.700 0.136 0.000 2.789 279 S HA 0.748 5.227 4.470 0.016 0.000 0.286 279 S C -1.741 172.928 174.600 0.114 0.000 1.153 279 S CA -0.355 57.878 58.200 0.055 0.000 1.084 279 S CB 0.400 63.599 63.200 -0.001 0.000 1.036 279 S HN 0.565 nan 8.310 nan 0.000 0.484 280 L N 3.475 124.790 121.223 0.155 0.000 2.354 280 L HA 0.695 5.044 4.340 0.016 0.000 0.269 280 L C -0.132 176.807 176.870 0.115 0.000 1.005 280 L CA -0.322 54.602 54.840 0.140 0.000 0.819 280 L CB 1.799 43.973 42.059 0.192 0.000 1.311 280 L HN 0.729 nan 8.230 nan 0.000 0.423 281 E N 0.753 121.012 120.200 0.099 0.000 2.274 281 E HA 0.599 4.959 4.350 0.016 0.000 0.269 281 E C -1.478 175.182 176.600 0.099 0.000 0.891 281 E CA -0.398 56.060 56.400 0.096 0.000 0.784 281 E CB 1.593 31.335 29.700 0.071 0.000 1.225 281 E HN 0.691 nan 8.360 nan 0.000 0.412 282 T N 0.827 115.455 114.554 0.124 0.000 2.906 282 T HA 0.510 4.869 4.350 0.016 0.000 0.295 282 T C -0.678 174.099 174.700 0.128 0.000 1.061 282 T CA -0.920 61.252 62.100 0.120 0.000 1.000 282 T CB 1.815 70.767 68.868 0.139 0.000 1.103 282 T HN 0.414 nan 8.240 nan 0.000 0.486 283 E N 1.272 121.536 120.200 0.107 0.000 2.191 283 E HA 0.569 4.929 4.350 0.016 0.000 0.263 283 E C -1.554 175.109 176.600 0.104 0.000 0.881 283 E CA -0.949 55.514 56.400 0.105 0.000 0.757 283 E CB 2.009 31.756 29.700 0.078 0.000 1.147 283 E HN 0.605 nan 8.360 nan 0.000 0.414 284 V N 3.814 123.808 119.914 0.134 0.000 2.555 284 V HA 0.346 4.475 4.120 0.016 0.000 0.302 284 V C -1.073 175.085 176.094 0.107 0.000 1.038 284 V CA -0.654 61.719 62.300 0.122 0.000 0.887 284 V CB 1.979 33.910 31.823 0.180 0.000 0.991 284 V HN 0.794 nan 8.190 nan 0.000 0.434 285 D N 4.289 124.726 120.400 0.062 0.000 2.295 285 D HA 0.301 4.950 4.640 0.016 0.000 0.248 285 D C 0.711 177.040 176.300 0.048 0.000 1.154 285 D CA 0.030 54.059 54.000 0.048 0.000 0.857 285 D CB 1.351 42.157 40.800 0.009 0.000 1.117 285 D HN 0.526 nan 8.370 nan 0.000 0.468 286 L N 3.558 124.834 121.223 0.088 0.000 2.592 286 L HA 0.205 4.555 4.340 0.016 0.000 0.227 286 L C 2.300 179.215 176.870 0.074 0.000 1.127 286 L CA -0.215 54.689 54.840 0.108 0.000 0.884 286 L CB -0.163 42.008 42.059 0.186 0.000 1.065 286 L HN 0.449 nan 8.230 nan 0.000 0.457 287 R N 0.890 121.373 120.500 -0.029 0.000 2.097 287 R HA -0.186 4.164 4.340 0.016 0.000 0.236 287 R C 2.163 178.276 176.300 -0.312 0.000 1.135 287 R CA 1.583 57.487 56.100 -0.327 0.000 0.934 287 R CB 0.102 30.127 30.300 -0.459 0.000 0.846 287 R HN 0.109 nan 8.270 nan 0.000 0.431 288 K N -0.512 119.771 120.400 -0.196 0.000 2.057 288 K HA -0.053 4.277 4.320 0.016 0.000 0.206 288 K C -0.543 176.007 176.600 -0.083 0.000 1.050 288 K CA 1.293 57.494 56.287 -0.143 0.000 0.935 288 K CB -1.252 31.179 32.500 -0.114 0.000 0.715 288 K HN 0.307 nan 8.250 nan 0.000 0.439 289 P HA -0.089 nan 4.420 nan 0.000 0.215 289 P C 1.551 178.852 177.300 0.002 0.000 1.153 289 P CA 1.046 64.111 63.100 -0.058 0.000 0.853 289 P CB 0.014 31.665 31.700 -0.082 0.000 0.788 290 L N -0.756 120.513 121.223 0.075 0.000 2.109 290 L HA -0.136 4.214 4.340 0.016 0.000 0.207 290 L C 2.317 179.300 176.870 0.188 0.000 1.086 290 L CA 1.448 56.401 54.840 0.188 0.000 0.760 290 L CB -0.837 41.434 42.059 0.354 0.000 0.910 290 L HN 0.017 nan 8.230 nan 0.000 0.437 291 E N 0.126 120.399 120.200 0.123 0.000 2.106 291 E HA -0.180 4.179 4.350 0.016 0.000 0.192 291 E C 1.803 178.436 176.600 0.056 0.000 0.984 291 E CA 0.928 57.385 56.400 0.095 0.000 0.806 291 E CB -0.054 29.636 29.700 -0.016 0.000 0.750 291 E HN 0.447 nan 8.360 nan 0.000 0.458 292 N N 0.576 119.288 118.700 0.021 0.000 2.289 292 N HA -0.100 4.650 4.740 0.016 0.000 0.184 292 N C 1.336 176.862 175.510 0.027 0.000 1.016 292 N CA 0.786 53.840 53.050 0.007 0.000 0.872 292 N CB 0.025 38.497 38.487 -0.024 0.000 0.973 292 N HN 0.184 nan 8.380 nan 0.000 0.433 293 L N -0.673 120.583 121.223 0.056 0.000 2.629 293 L HA 0.233 4.582 4.340 0.016 0.000 0.230 293 L C 1.116 178.044 176.870 0.096 0.000 1.151 293 L CA 0.067 54.956 54.840 0.082 0.000 0.924 293 L CB -0.174 41.959 42.059 0.122 0.000 1.137 293 L HN 0.196 nan 8.230 nan 0.000 0.457 294 G N 0.007 108.856 108.800 0.082 0.000 2.176 294 G HA2 -0.298 3.672 3.960 0.016 0.000 0.232 294 G HA3 -0.298 3.672 3.960 0.016 0.000 0.232 294 G C 0.300 175.251 174.900 0.087 0.000 0.986 294 G CA -0.271 44.873 45.100 0.073 0.000 0.643 294 G HN 0.283 nan 8.290 nan 0.000 0.522 295 M N 2.741 122.419 119.600 0.129 0.000 3.117 295 M HA 0.327 4.817 4.480 0.016 0.000 0.292 295 M C 1.677 178.118 176.300 0.235 0.000 1.357 295 M CA 0.597 55.978 55.300 0.135 0.000 1.463 295 M CB 0.550 33.232 32.600 0.136 0.000 1.105 295 M HN 0.352 nan 8.290 nan 0.000 0.553 296 T N -3.568 111.093 114.554 0.178 0.000 3.033 296 T HA 0.039 4.398 4.350 0.016 0.000 0.248 296 T C 1.186 176.012 174.700 0.211 0.000 1.040 296 T CA 0.456 62.695 62.100 0.231 0.000 1.133 296 T CB 0.041 68.988 68.868 0.132 0.000 0.895 296 T HN 0.305 nan 8.240 nan 0.000 0.465 297 D N 2.569 123.032 120.400 0.105 0.000 2.116 297 D HA -0.126 4.523 4.640 0.016 0.000 0.193 297 D C 2.207 178.542 176.300 0.058 0.000 0.998 297 D CA 1.800 55.842 54.000 0.069 0.000 0.836 297 D CB -0.504 40.309 40.800 0.022 0.000 0.951 297 D HN 0.659 nan 8.370 nan 0.000 0.449 298 M N -1.545 118.033 119.600 -0.037 0.000 2.267 298 M HA -0.113 4.377 4.480 0.016 0.000 0.263 298 M C 1.233 177.480 176.300 -0.089 0.000 1.063 298 M CA 1.442 56.677 55.300 -0.108 0.000 1.090 298 M CB -0.540 31.873 32.600 -0.312 0.000 1.392 298 M HN -0.131 nan 8.290 nan 0.000 0.422 299 F N 0.967 120.992 119.950 0.126 0.000 2.743 299 F HA 0.261 4.796 4.527 0.014 0.000 0.297 299 F C 0.682 176.550 175.800 0.114 0.000 1.131 299 F CA 0.150 58.229 58.000 0.131 0.000 1.426 299 F CB 0.009 39.057 39.000 0.080 0.000 1.116 299 F HN 0.032 nan 8.300 nan 0.000 0.583 300 R N 0.601 121.219 120.500 0.196 0.000 2.229 300 R HA 0.165 4.515 4.340 0.016 0.000 0.328 300 R C 1.250 177.465 176.300 -0.141 0.000 1.009 300 R CA -0.337 55.776 56.100 0.022 0.000 0.864 300 R CB 1.037 31.371 30.300 0.058 0.000 1.085 300 R HN -0.046 nan 8.270 nan 0.000 0.453 301 Q N 2.602 122.089 119.800 -0.521 0.000 2.133 301 Q HA -0.193 4.156 4.340 0.016 0.000 0.208 301 Q C 0.312 175.962 176.000 -0.583 0.000 0.991 301 Q CA 2.131 57.439 55.803 -0.825 0.000 0.867 301 Q CB 0.037 28.029 28.738 -1.243 0.000 0.911 301 Q HN 0.683 nan 8.270 nan 0.000 0.417 302 F N -0.717 119.194 119.950 -0.066 0.000 2.727 302 F HA 0.277 4.813 4.527 0.015 0.000 0.302 302 F C 1.701 177.503 175.800 0.004 0.000 1.097 302 F CA 0.176 58.162 58.000 -0.024 0.000 1.330 302 F CB 0.234 39.217 39.000 -0.028 0.000 1.084 302 F HN 0.152 nan 8.300 nan 0.000 0.578 303 Q N -0.172 119.703 119.800 0.126 0.000 2.369 303 Q HA 0.375 4.725 4.340 0.016 0.000 0.254 303 Q C 0.960 177.009 176.000 0.082 0.000 0.858 303 Q CA 0.006 55.870 55.803 0.102 0.000 0.961 303 Q CB 0.528 29.319 28.738 0.089 0.000 1.119 303 Q HN 0.189 nan 8.270 nan 0.000 0.538 304 A N 1.906 124.784 122.820 0.097 0.000 2.531 304 A HA 0.047 4.376 4.320 0.016 0.000 0.236 304 A C -0.336 177.335 177.584 0.145 0.000 1.062 304 A CA 0.330 52.450 52.037 0.137 0.000 0.760 304 A CB 0.191 19.356 19.000 0.276 0.000 0.995 304 A HN 0.093 nan 8.150 nan 0.000 0.501 305 D N 1.749 122.179 120.400 0.050 0.000 2.462 305 D HA 0.454 5.104 4.640 0.016 0.000 0.245 305 D C -1.203 175.033 176.300 -0.106 0.000 1.122 305 D CA -0.230 53.780 54.000 0.017 0.000 0.864 305 D CB 0.443 41.220 40.800 -0.038 0.000 1.098 305 D HN 0.292 nan 8.370 nan 0.000 0.541 306 F N 1.612 121.536 119.950 -0.043 0.000 2.791 306 F HA 0.070 4.608 4.527 0.018 0.000 0.308 306 F C 2.211 177.974 175.800 -0.063 0.000 1.138 306 F CA -0.184 57.777 58.000 -0.065 0.000 1.294 306 F CB 0.673 39.619 39.000 -0.091 0.000 0.975 306 F HN 0.309 nan 8.300 nan 0.000 0.512 307 T N -4.295 110.298 114.554 0.066 0.000 3.051 307 T HA -0.118 4.241 4.350 0.016 0.000 0.269 307 T C 1.996 176.715 174.700 0.030 0.000 1.127 307 T CA 1.448 63.573 62.100 0.041 0.000 1.107 307 T CB -0.218 68.669 68.868 0.031 0.000 0.898 307 T HN 0.111 nan 8.240 nan 0.000 0.517 308 S N 0.608 116.323 115.700 0.024 0.000 2.489 308 S HA 0.200 4.679 4.470 0.016 0.000 0.228 308 S C 1.543 176.186 174.600 0.072 0.000 0.995 308 S CA 0.460 58.701 58.200 0.069 0.000 0.934 308 S CB -0.180 63.062 63.200 0.071 0.000 0.771 308 S HN 0.451 nan 8.310 nan 0.000 0.522 309 L N -0.053 121.139 121.223 -0.052 0.000 2.262 309 L HA 0.418 4.767 4.340 0.016 0.000 0.197 309 L C 0.459 177.189 176.870 -0.233 0.000 1.073 309 L CA 0.872 55.510 54.840 -0.338 0.000 0.800 309 L CB 0.302 42.167 42.059 -0.322 0.000 0.987 309 L HN 0.152 nan 8.230 nan 0.000 0.470 310 S N -1.975 113.668 115.700 -0.094 0.000 2.537 310 S HA 0.323 4.803 4.470 0.016 0.000 0.271 310 S C -0.555 174.037 174.600 -0.013 0.000 1.148 310 S CA -0.445 57.717 58.200 -0.064 0.000 0.868 310 S CB 1.310 64.454 63.200 -0.093 0.000 1.115 310 S HN 0.266 nan 8.310 nan 0.000 0.461 311 D N 1.509 121.905 120.400 -0.007 0.000 2.355 311 D HA 0.113 4.762 4.640 0.016 0.000 0.206 311 D C 1.788 178.089 176.300 0.003 0.000 1.010 311 D CA 0.198 54.202 54.000 0.007 0.000 0.875 311 D CB 0.137 40.944 40.800 0.012 0.000 0.966 311 D HN 0.610 nan 8.370 nan 0.000 0.512 312 Q N 0.465 120.259 119.800 -0.009 0.000 2.118 312 Q HA -0.201 4.148 4.340 0.016 0.000 0.211 312 Q C -0.192 175.803 176.000 -0.009 0.000 0.998 312 Q CA 1.411 57.208 55.803 -0.011 0.000 0.872 312 Q CB 0.154 28.880 28.738 -0.021 0.000 0.925 312 Q HN 0.446 nan 8.270 nan 0.000 0.414 313 E N -0.596 119.594 120.200 -0.017 0.000 2.392 313 E HA 0.452 4.811 4.350 0.016 0.000 0.279 313 E C -2.768 173.821 176.600 -0.018 0.000 0.964 313 E CA -2.212 54.178 56.400 -0.016 0.000 0.777 313 E CB 1.574 31.257 29.700 -0.029 0.000 1.249 313 E HN -0.039 nan 8.360 nan 0.000 0.449 314 P HA 0.229 nan 4.420 nan 0.000 0.276 314 P C -0.720 176.553 177.300 -0.044 0.000 1.235 314 P CA -0.155 62.950 63.100 0.010 0.000 0.772 314 P CB 0.865 32.586 31.700 0.036 0.000 0.871 315 L N 3.512 124.682 121.223 -0.088 0.000 2.301 315 L HA 0.656 5.005 4.340 0.016 0.000 0.264 315 L C 0.210 176.950 176.870 -0.216 0.000 1.016 315 L CA -0.980 53.678 54.840 -0.303 0.000 0.821 315 L CB 1.918 43.542 42.059 -0.724 0.000 1.346 315 L HN 0.662 nan 8.230 nan 0.000 0.429 316 H N -2.074 116.733 119.070 -0.438 0.000 3.064 316 H HA 0.479 5.045 4.556 0.016 0.000 0.352 316 H C -1.513 173.669 175.328 -0.243 0.000 1.260 316 H CA -1.031 54.891 56.048 -0.210 0.000 1.160 316 H CB 1.125 30.821 29.762 -0.110 0.000 1.879 316 H HN 0.153 nan 8.280 nan 0.000 0.544 317 V N 2.475 122.289 119.914 -0.165 0.000 2.446 317 V HA 0.252 4.382 4.120 0.016 0.000 0.276 317 V C 1.216 177.261 176.094 -0.081 0.000 1.030 317 V CA 0.829 63.011 62.300 -0.197 0.000 1.033 317 V CB -0.006 31.654 31.823 -0.272 0.000 0.993 317 V HN 1.050 nan 8.190 nan 0.000 0.477 318 A N 4.411 127.094 122.820 -0.227 0.000 1.943 318 A HA 0.128 4.458 4.320 0.016 0.000 0.213 318 A C 0.940 178.546 177.584 0.038 0.000 1.181 318 A CA 0.584 52.551 52.037 -0.117 0.000 0.653 318 A CB 0.168 19.024 19.000 -0.239 0.000 0.833 318 A HN 0.721 nan 8.150 nan 0.000 0.451 319 Q N -1.679 118.140 119.800 0.032 0.000 2.340 319 Q HA 0.601 4.950 4.340 0.016 0.000 0.276 319 Q C -1.985 174.081 176.000 0.111 0.000 1.048 319 Q CA -0.480 55.367 55.803 0.074 0.000 0.832 319 Q CB 2.147 30.892 28.738 0.013 0.000 1.373 319 Q HN 0.389 nan 8.270 nan 0.000 0.409 320 A N 4.622 127.540 122.820 0.163 0.000 2.499 320 A HA 0.666 4.996 4.320 0.016 0.000 0.280 320 A C -1.364 176.302 177.584 0.136 0.000 1.135 320 A CA -0.531 51.608 52.037 0.170 0.000 0.744 320 A CB 0.352 19.528 19.000 0.293 0.000 1.213 320 A HN 0.657 nan 8.150 nan 0.000 0.434 321 L N -0.723 120.564 121.223 0.107 0.000 2.403 321 L HA 0.858 5.208 4.340 0.016 0.000 0.253 321 L C -1.116 175.817 176.870 0.106 0.000 1.045 321 L CA -0.785 54.119 54.840 0.107 0.000 0.845 321 L CB 2.158 44.267 42.059 0.083 0.000 1.447 321 L HN 0.636 nan 8.230 nan 0.000 0.411 322 Q N 1.644 121.518 119.800 0.124 0.000 2.323 322 Q HA 0.426 4.775 4.340 0.016 0.000 0.271 322 Q C -1.725 174.348 176.000 0.122 0.000 1.048 322 Q CA -0.776 55.091 55.803 0.106 0.000 0.792 322 Q CB 2.780 31.567 28.738 0.081 0.000 1.280 322 Q HN 0.692 nan 8.270 nan 0.000 0.441 323 K N 3.031 123.498 120.400 0.112 0.000 2.394 323 K HA 0.561 4.890 4.320 0.016 0.000 0.260 323 K C -1.569 175.115 176.600 0.141 0.000 0.967 323 K CA -0.492 55.867 56.287 0.120 0.000 0.855 323 K CB 1.405 33.966 32.500 0.101 0.000 1.101 323 K HN 0.405 nan 8.250 nan 0.000 0.433 324 V N 3.475 123.486 119.914 0.163 0.000 2.823 324 V HA 0.508 4.638 4.120 0.016 0.000 0.312 324 V C -0.784 175.404 176.094 0.156 0.000 1.072 324 V CA -0.972 61.445 62.300 0.195 0.000 0.937 324 V CB 1.908 33.888 31.823 0.262 0.000 1.013 324 V HN 0.718 nan 8.190 nan 0.000 0.430 325 K N 3.147 123.617 120.400 0.116 0.000 2.468 325 K HA 0.801 5.131 4.320 0.016 0.000 0.252 325 K C -1.909 174.681 176.600 -0.016 0.000 0.932 325 K CA -0.617 55.709 56.287 0.065 0.000 0.794 325 K CB 2.609 35.141 32.500 0.053 0.000 1.241 325 K HN 0.734 nan 8.250 nan 0.000 0.428 326 I N 2.314 122.882 120.570 -0.003 0.000 2.692 326 I HA 0.310 4.489 4.170 0.016 0.000 0.293 326 I C -1.808 174.251 176.117 -0.097 0.000 1.200 326 I CA -0.372 60.875 61.300 -0.088 0.000 1.036 326 I CB 2.169 40.146 38.000 -0.038 0.000 1.258 326 I HN 0.711 nan 8.210 nan 0.000 0.421 327 E N 6.035 126.113 120.200 -0.202 0.000 2.246 327 E HA 0.535 4.895 4.350 0.016 0.000 0.266 327 E C -1.528 174.855 176.600 -0.363 0.000 0.880 327 E CA -0.661 55.593 56.400 -0.245 0.000 0.762 327 E CB 2.892 32.491 29.700 -0.170 0.000 1.180 327 E HN 0.252 nan 8.360 nan 0.000 0.416 328 V N 3.805 123.395 119.914 -0.542 0.000 2.448 328 V HA 0.452 4.582 4.120 0.016 0.000 0.295 328 V C -0.427 175.486 176.094 -0.301 0.000 1.025 328 V CA -0.703 61.300 62.300 -0.494 0.000 0.859 328 V CB 1.166 32.446 31.823 -0.906 0.000 0.988 328 V HN 0.782 nan 8.190 nan 0.000 0.431 329 N N 2.813 121.457 118.700 -0.094 0.000 3.278 329 N HA 0.392 5.141 4.740 0.016 0.000 0.307 329 N C 0.418 176.047 175.510 0.198 0.000 1.551 329 N CA -0.898 52.137 53.050 -0.025 0.000 0.794 329 N CB 0.881 39.335 38.487 -0.055 0.000 1.770 329 N HN 0.224 nan 8.380 nan 0.000 0.612 330 E N -0.367 119.920 120.200 0.145 0.000 2.077 330 E HA 0.012 4.372 4.350 0.016 0.000 0.193 330 E C -0.167 176.719 176.600 0.476 0.000 0.989 330 E CA 1.351 57.933 56.400 0.303 0.000 0.800 330 E CB -0.063 29.741 29.700 0.174 0.000 0.746 330 E HN 0.484 nan 8.360 nan 0.000 0.452 331 S N -1.462 114.392 115.700 0.256 0.000 2.537 331 S HA 0.663 5.143 4.470 0.016 0.000 0.270 331 S C -0.422 174.178 174.600 -0.001 0.000 1.142 331 S CA -0.455 57.847 58.200 0.171 0.000 0.870 331 S CB 1.424 64.696 63.200 0.119 0.000 1.112 331 S HN 0.193 nan 8.310 nan 0.000 0.466 332 G N 0.661 109.404 108.800 -0.094 0.000 2.705 332 G HA2 0.682 4.652 3.960 0.016 0.000 0.299 332 G HA3 0.682 4.652 3.960 0.016 0.000 0.299 332 G C 0.056 174.872 174.900 -0.140 0.000 1.315 332 G CA 0.133 45.135 45.100 -0.164 0.000 1.045 332 G HN 1.327 nan 8.290 nan 0.000 0.517 349 P HA 0.452 nan 4.420 nan 0.000 0.275 349 P C -0.231 177.051 177.300 -0.030 0.000 1.227 349 P CA -0.265 62.815 63.100 -0.032 0.000 0.781 349 P CB 0.667 32.350 31.700 -0.027 0.000 0.906 350 E N 1.515 121.686 120.200 -0.049 0.000 2.398 350 E HA 0.027 4.386 4.350 0.016 0.000 0.263 350 E C -0.502 176.075 176.600 -0.038 0.000 1.046 350 E CA -0.206 56.167 56.400 -0.046 0.000 0.908 350 E CB 0.552 30.205 29.700 -0.079 0.000 0.963 350 E HN 0.381 nan 8.360 nan 0.000 0.431 351 E N 3.402 123.591 120.200 -0.017 0.000 2.197 351 E HA 0.304 4.663 4.350 0.016 0.000 0.281 351 E C -0.540 176.048 176.600 -0.021 0.000 0.995 351 E CA -0.326 56.066 56.400 -0.014 0.000 0.808 351 E CB 1.289 30.985 29.700 -0.006 0.000 1.093 351 E HN 0.419 nan 8.360 nan 0.000 0.394 352 I N 5.107 125.659 120.570 -0.030 0.000 2.437 352 I HA 0.307 4.487 4.170 0.016 0.000 0.279 352 I C -0.612 175.470 176.117 -0.058 0.000 1.028 352 I CA -0.387 60.890 61.300 -0.037 0.000 1.142 352 I CB 0.745 38.719 38.000 -0.043 0.000 1.266 352 I HN 0.344 nan 8.210 nan 0.000 0.461 353 I N 6.339 126.873 120.570 -0.059 0.000 2.355 353 I HA 0.304 4.483 4.170 0.016 0.000 0.288 353 I C 0.168 176.244 176.117 -0.069 0.000 0.999 353 I CA -0.618 60.647 61.300 -0.058 0.000 1.163 353 I CB 1.520 39.501 38.000 -0.032 0.000 1.316 353 I HN 0.419 nan 8.210 nan 0.000 0.454 354 M N 5.874 125.414 119.600 -0.100 0.000 3.586 354 M HA 0.087 4.577 4.480 0.016 0.000 0.225 354 M C 0.241 176.584 176.300 0.072 0.000 1.428 354 M CA -0.079 55.156 55.300 -0.109 0.000 1.613 354 M CB -1.118 31.206 32.600 -0.459 0.000 1.063 354 M HN 0.475 nan 8.290 nan 0.000 0.593 355 D N 0.823 121.223 120.400 0.000 0.000 2.587 355 D HA 0.201 4.851 4.640 0.016 0.000 0.233 355 D C 0.102 176.090 176.300 -0.520 0.000 1.213 355 D CA -0.246 53.712 54.000 -0.069 0.000 0.827 355 D CB 0.210 41.028 40.800 0.030 0.000 1.006 355 D HN 0.477 nan 8.370 nan 0.000 0.490 356 R N -2.670 117.489 120.500 -0.568 0.000 2.734 356 R HA 0.631 4.980 4.340 0.016 0.000 0.271 356 R C -3.279 172.932 176.300 -0.148 0.000 1.021 356 R CA -1.911 53.817 56.100 -0.620 0.000 0.893 356 R CB -0.318 29.854 30.300 -0.214 0.000 1.244 356 R HN -0.314 nan 8.270 nan 0.000 0.464 357 P HA 0.005 nan 4.420 nan 0.000 0.264 357 P C -1.275 176.185 177.300 0.267 0.000 1.183 357 P CA 0.349 63.593 63.100 0.240 0.000 0.763 357 P CB 0.121 31.891 31.700 0.116 0.000 0.807 358 F N 1.285 121.327 119.950 0.154 0.000 2.643 358 F HA 0.694 5.230 4.527 0.016 0.000 0.314 358 F C -1.706 174.176 175.800 0.137 0.000 1.096 358 F CA -1.586 56.489 58.000 0.125 0.000 0.953 358 F CB 0.946 40.029 39.000 0.138 0.000 1.345 358 F HN 0.021 nan 8.300 nan 0.000 0.468 359 L N 2.462 123.896 121.223 0.351 0.000 2.334 359 L HA 0.679 5.028 4.340 0.016 0.000 0.275 359 L C -1.128 176.007 176.870 0.442 0.000 1.036 359 L CA -0.958 54.020 54.840 0.230 0.000 0.807 359 L CB 1.759 43.930 42.059 0.186 0.000 1.231 359 L HN 0.762 nan 8.230 nan 0.000 0.438 360 F N 2.329 122.442 119.950 0.272 0.000 2.588 360 F HA 0.838 5.376 4.527 0.018 0.000 0.310 360 F C -1.523 174.453 175.800 0.294 0.000 1.082 360 F CA -1.034 57.182 58.000 0.360 0.000 0.929 360 F CB 1.383 40.660 39.000 0.462 0.000 1.254 360 F HN 0.010 nan 8.300 nan 0.000 0.455 361 V N 3.256 123.491 119.914 0.536 0.000 2.668 361 V HA 0.500 4.630 4.120 0.016 0.000 0.304 361 V C -0.964 175.471 176.094 0.567 0.000 1.071 361 V CA -0.840 61.699 62.300 0.398 0.000 0.894 361 V CB 1.708 33.719 31.823 0.313 0.000 1.008 361 V HN 0.826 nan 8.190 nan 0.000 0.425 362 V N 5.331 125.532 119.914 0.477 0.000 2.370 362 V HA 0.603 4.733 4.120 0.016 0.000 0.279 362 V C 0.081 176.335 176.094 0.266 0.000 1.029 362 V CA -0.464 62.082 62.300 0.410 0.000 0.870 362 V CB 1.476 33.497 31.823 0.331 0.000 0.984 362 V HN 0.871 nan 8.190 nan 0.000 0.451 363 R N 2.744 123.433 120.500 0.314 0.000 2.686 363 R HA 0.389 4.739 4.340 0.016 0.000 0.283 363 R C -0.789 175.645 176.300 0.223 0.000 0.978 363 R CA -0.731 55.521 56.100 0.254 0.000 0.897 363 R CB 1.425 31.937 30.300 0.353 0.000 1.192 363 R HN 0.883 nan 8.270 nan 0.000 0.457 364 H N 5.187 124.293 119.070 0.061 0.000 2.820 364 H HA 0.112 4.677 4.556 0.016 0.000 0.278 364 H C -0.072 175.323 175.328 0.112 0.000 1.142 364 H CA -0.214 55.864 56.048 0.051 0.000 1.346 364 H CB 0.822 30.567 29.762 -0.027 0.000 1.438 364 H HN 0.638 nan 8.280 nan 0.000 0.473 365 N N 5.191 123.851 118.700 -0.068 0.000 2.149 365 N HA -0.117 4.633 4.740 0.016 0.000 0.188 365 N C -1.007 174.490 175.510 -0.021 0.000 1.019 365 N CA 0.827 53.888 53.050 0.017 0.000 0.857 365 N CB -0.985 37.554 38.487 0.087 0.000 0.997 365 N HN 0.584 nan 8.380 nan 0.000 0.426 366 P HA -0.068 nan 4.420 nan 0.000 0.215 366 P C 1.530 178.900 177.300 0.118 0.000 1.153 366 P CA 1.675 64.760 63.100 -0.025 0.000 0.853 366 P CB -0.118 31.559 31.700 -0.039 0.000 0.788 367 T N -6.171 108.515 114.554 0.221 0.000 3.037 367 T HA 0.311 4.670 4.350 0.016 0.000 0.252 367 T C 1.525 176.329 174.700 0.173 0.000 1.073 367 T CA 0.563 62.793 62.100 0.217 0.000 1.091 367 T CB -0.573 68.445 68.868 0.250 0.000 0.935 367 T HN 0.206 nan 8.240 nan 0.000 0.488 368 G N 1.415 110.357 108.800 0.235 0.000 2.137 368 G HA2 -0.215 3.754 3.960 0.016 0.000 0.237 368 G HA3 -0.215 3.754 3.960 0.016 0.000 0.237 368 G C 0.054 175.078 174.900 0.207 0.000 1.002 368 G CA 0.060 45.324 45.100 0.274 0.000 0.702 368 G HN 0.697 nan 8.290 nan 0.000 0.515 369 T N 0.913 115.561 114.554 0.155 0.000 2.761 369 T HA 0.443 4.803 4.350 0.016 0.000 0.296 369 T C 0.619 175.355 174.700 0.060 0.000 0.934 369 T CA -0.183 61.965 62.100 0.081 0.000 1.091 369 T CB 2.094 70.936 68.868 -0.043 0.000 0.896 369 T HN 0.406 nan 8.240 nan 0.000 0.515 370 V N 6.446 126.394 119.914 0.057 0.000 2.339 370 V HA 0.148 4.277 4.120 0.016 0.000 0.261 370 V C 1.273 177.352 176.094 -0.024 0.000 1.058 370 V CA -0.073 62.246 62.300 0.032 0.000 0.897 370 V CB 0.099 31.933 31.823 0.019 0.000 1.052 370 V HN 0.860 nan 8.190 nan 0.000 0.480 371 L N 4.328 125.487 121.223 -0.106 0.000 2.068 371 L HA 0.208 4.557 4.340 0.016 0.000 0.204 371 L C 0.170 176.663 176.870 -0.627 0.000 1.076 371 L CA 1.563 56.184 54.840 -0.365 0.000 0.753 371 L CB -0.020 41.794 42.059 -0.409 0.000 0.910 371 L HN 0.414 nan 8.230 nan 0.000 0.439 372 F N -0.962 119.010 119.950 0.037 0.000 2.613 372 F HA 0.609 5.146 4.527 0.017 0.000 0.310 372 F C -0.119 175.705 175.800 0.040 0.000 1.085 372 F CA -0.933 57.119 58.000 0.087 0.000 0.945 372 F CB 1.895 41.021 39.000 0.210 0.000 1.298 372 F HN -0.203 nan 8.300 nan 0.000 0.455 373 M N 0.949 120.588 119.600 0.065 0.000 2.643 373 M HA 0.934 5.423 4.480 0.016 0.000 0.276 373 M C -1.252 174.548 176.300 -0.834 0.000 1.200 373 M CA -0.488 54.524 55.300 -0.480 0.000 0.863 373 M CB 2.526 34.806 32.600 -0.533 0.000 1.711 373 M HN 0.824 nan 8.290 nan 0.000 0.492 374 G N 1.146 109.143 108.800 -1.338 0.000 2.451 374 G HA2 0.514 4.483 3.960 0.016 0.000 0.292 374 G HA3 0.514 4.483 3.960 0.016 0.000 0.292 374 G C -2.592 172.031 174.900 -0.462 0.000 1.427 374 G CA -0.782 43.874 45.100 -0.740 0.000 0.792 374 G HN 1.045 nan 8.290 nan 0.000 0.498 375 Q N -0.434 119.340 119.800 -0.044 0.000 2.330 375 Q HA 0.668 5.017 4.340 0.016 0.000 0.269 375 Q C -1.266 174.649 176.000 -0.141 0.000 1.022 375 Q CA -0.993 54.780 55.803 -0.050 0.000 0.796 375 Q CB 2.740 31.509 28.738 0.052 0.000 1.271 375 Q HN 0.309 nan 8.270 nan 0.000 0.450 376 V N 4.921 124.595 119.914 -0.400 0.000 2.320 376 V HA 0.094 4.223 4.120 0.016 0.000 0.265 376 V C 0.533 176.434 176.094 -0.322 0.000 1.048 376 V CA -0.381 61.576 62.300 -0.571 0.000 0.865 376 V CB 0.652 31.699 31.823 -1.293 0.000 1.043 376 V HN 0.947 nan 8.190 nan 0.000 0.474 377 M N 2.165 121.674 119.600 -0.151 0.000 2.476 377 M HA 0.261 4.751 4.480 0.016 0.000 0.262 377 M C 0.717 177.037 176.300 0.034 0.000 1.111 377 M CA 0.722 56.026 55.300 0.007 0.000 1.127 377 M CB -0.234 32.367 32.600 0.002 0.000 1.376 377 M HN 0.707 nan 8.290 nan 0.000 0.465 378 E N 0.716 120.804 120.200 -0.188 0.000 2.454 378 E HA 0.305 4.665 4.350 0.016 0.000 0.315 378 E C -2.588 173.783 176.600 -0.382 0.000 0.907 378 E CA -1.289 54.921 56.400 -0.317 0.000 0.797 378 E CB 2.120 31.752 29.700 -0.114 0.000 1.396 378 E HN -0.039 nan 8.360 nan 0.000 0.389 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.907 63.100 -0.322 0.000 0.800 379 P CB 0.000 31.483 31.700 -0.361 0.000 0.726