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 1e6e_1_C DATA FIRST_RESID 5 DATA SEQUENCE QTPQICVVGS GPAGFYTAQH LLKHHSRAHV DIYEKQLVPF GLVRFGVAPD DATA SEQUENCE HPEVKNVINT FTQTARSDRC AFYGNVEVGR DVTVQELQDA YHAVVLSYGA DATA SEQUENCE EDHQALDIPG EELPGVFSAR AFVGWYNGLP ENRELAPDLS CDTAVILGQG DATA SEQUENCE NVALDVARIL LTPPDHLEKT DITEAALGAL RQSRVKTVWI VGRRGPLQVA DATA SEQUENCE FTIKELREMI QLPGTRPMLD PADFLGLQDR IKEAARPRKR LMELLLRTAT DATA SEQUENCE EKPGVEEAAR RASASRAWGL RFFRSPQQVL PSPDGRRAAG IRLAVTRLEG DATA SEQUENCE IGEATRAVPT GDVEDLPCGL VLSSIGYKSR PIDPSVPFDP KLGVVPNMEG DATA SEQUENCE RVVDVPGLYC SGWVKRGPTG VITTTMTDSF LTGQILLQDL KAGHLPSGPR DATA SEQUENCE PGSAFIKALL DSRGVWPVSF SDWEKLDAEE VSRGQASGKP REKLLDPQEM DATA SEQUENCE LRLLGH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.042 176.000 0.071 0.000 1.003 5 Q CA 0.000 55.836 55.803 0.055 0.000 1.022 5 Q CB 0.000 28.769 28.738 0.051 0.000 1.108 6 T N 3.398 118.007 114.554 0.092 0.000 2.788 6 T HA 0.495 4.845 4.350 -0.000 0.000 0.296 6 T C -2.818 171.966 174.700 0.140 0.000 1.009 6 T CA -1.226 60.941 62.100 0.112 0.000 0.949 6 T CB 1.621 70.557 68.868 0.113 0.000 0.946 6 T HN 0.022 nan 8.240 nan 0.000 0.453 7 P HA 0.142 nan 4.420 nan 0.000 0.266 7 P C -0.419 177.021 177.300 0.234 0.000 1.215 7 P CA -0.273 62.847 63.100 0.032 0.000 0.763 7 P CB 0.418 31.990 31.700 -0.214 0.000 0.806 8 Q N 3.543 123.644 119.800 0.500 0.000 2.400 8 Q HA 0.410 4.750 4.340 -0.000 0.000 0.255 8 Q C -0.163 176.139 176.000 0.502 0.000 1.008 8 Q CA -0.153 55.883 55.803 0.388 0.000 0.841 8 Q CB 1.231 30.033 28.738 0.107 0.000 1.220 8 Q HN 0.496 nan 8.270 nan 0.000 0.474 9 I N 1.197 122.017 120.570 0.417 0.000 2.441 9 I HA 0.374 4.544 4.170 -0.000 0.000 0.295 9 I C -0.140 176.039 176.117 0.103 0.000 0.994 9 I CA -0.953 60.497 61.300 0.251 0.000 1.144 9 I CB 1.850 39.922 38.000 0.121 0.000 1.314 9 I HN 0.467 nan 8.210 nan 0.000 0.445 10 C N 7.090 126.265 119.300 -0.209 0.000 2.417 10 C HA 0.783 5.243 4.460 -0.000 0.000 0.324 10 C C -0.381 174.532 174.990 -0.128 0.000 1.240 10 C CA -0.223 58.532 59.018 -0.438 0.000 1.632 10 C CB 0.825 27.852 27.740 -1.187 0.000 2.241 10 C HN 0.583 nan 8.230 nan 0.000 0.499 11 V N 6.469 126.376 119.914 -0.012 0.000 2.487 11 V HA 0.462 4.581 4.120 -0.000 0.000 0.298 11 V C -0.316 175.825 176.094 0.078 0.000 1.028 11 V CA -0.446 61.865 62.300 0.019 0.000 0.860 11 V CB 1.827 33.638 31.823 -0.021 0.000 0.991 11 V HN 0.742 nan 8.190 nan 0.000 0.427 12 V N 4.014 123.977 119.914 0.081 0.000 2.333 12 V HA 0.878 4.998 4.120 -0.000 0.000 0.274 12 V C 0.552 176.728 176.094 0.137 0.000 1.028 12 V CA 0.312 62.684 62.300 0.120 0.000 0.851 12 V CB 0.626 32.527 31.823 0.129 0.000 1.000 12 V HN 1.300 nan 8.190 nan 0.000 0.456 13 G N 3.764 112.623 108.800 0.098 0.000 3.226 13 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.685 13 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.685 13 G C -0.108 174.781 174.900 -0.018 0.000 1.207 13 G CA -0.291 44.858 45.100 0.083 0.000 0.877 13 G HN 1.226 nan 8.290 nan 0.000 0.585 14 S N 1.148 116.845 115.700 -0.005 0.000 2.506 14 S HA 0.626 5.096 4.470 -0.000 0.000 0.245 14 S C 1.183 175.808 174.600 0.041 0.000 1.088 14 S CA 0.603 58.733 58.200 -0.117 0.000 1.099 14 S CB 0.741 63.990 63.200 0.081 0.000 0.805 14 S HN 1.792 nan 8.310 nan 0.000 0.461 15 G N 1.994 110.804 108.800 0.018 0.000 2.532 15 G HA2 0.497 4.457 3.960 -0.000 0.000 0.291 15 G HA3 0.497 4.457 3.960 -0.000 0.000 0.291 15 G C -1.835 173.023 174.900 -0.071 0.000 1.349 15 G CA -1.926 43.199 45.100 0.041 0.000 1.038 15 G HN 0.143 nan 8.290 nan 0.000 0.518 16 P HA -0.163 nan 4.420 nan 0.000 0.216 16 P C 2.039 179.372 177.300 0.055 0.000 1.154 16 P CA 2.427 65.521 63.100 -0.011 0.000 0.865 16 P CB 0.129 32.000 31.700 0.285 0.000 0.789 17 A N -0.466 122.385 122.820 0.052 0.000 1.873 17 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 17 A C 2.510 180.120 177.584 0.043 0.000 1.186 17 A CA 2.018 54.103 52.037 0.080 0.000 0.616 17 A CB -1.848 17.179 19.000 0.045 0.000 0.823 17 A HN 0.268 nan 8.150 nan 0.000 0.442 18 G N -1.243 107.530 108.800 -0.045 0.000 2.446 18 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.217 18 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.217 18 G C 1.374 176.164 174.900 -0.183 0.000 1.168 18 G CA 1.180 46.209 45.100 -0.118 0.000 0.771 18 G HN 0.382 nan 8.290 nan 0.000 0.551 19 F N -0.526 119.259 119.950 -0.274 0.000 2.146 19 F HA 0.120 4.647 4.527 -0.000 0.000 0.298 19 F C 2.409 178.123 175.800 -0.144 0.000 1.096 19 F CA 0.591 58.361 58.000 -0.383 0.000 1.275 19 F CB -0.369 37.993 39.000 -1.063 0.000 1.008 19 F HN 0.078 nan 8.300 nan 0.000 0.480 20 Y N -0.146 120.249 120.300 0.158 0.000 2.373 20 Y HA -0.136 4.414 4.550 -0.000 0.000 0.293 20 Y C 2.550 178.689 175.900 0.399 0.000 1.129 20 Y CA 1.346 59.650 58.100 0.339 0.000 1.226 20 Y CB -1.260 37.288 38.460 0.147 0.000 1.000 20 Y HN -0.050 nan 8.280 nan 0.000 0.549 21 T N -0.630 114.142 114.554 0.363 0.000 2.857 21 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 21 T C 2.242 177.091 174.700 0.248 0.000 1.048 21 T CA 1.101 63.369 62.100 0.281 0.000 1.139 21 T CB -0.435 68.516 68.868 0.139 0.000 0.874 21 T HN 0.369 nan 8.240 nan 0.000 0.455 22 A N 1.399 124.321 122.820 0.171 0.000 1.898 22 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 22 A C 2.277 179.964 177.584 0.171 0.000 1.181 22 A CA 1.814 53.922 52.037 0.118 0.000 0.620 22 A CB -0.746 18.272 19.000 0.030 0.000 0.819 22 A HN 0.554 nan 8.150 nan 0.000 0.442 23 Q N -1.134 118.821 119.800 0.258 0.000 2.061 23 Q HA -0.304 4.036 4.340 -0.000 0.000 0.204 23 Q C 1.976 178.081 176.000 0.175 0.000 0.984 23 Q CA 2.225 58.172 55.803 0.240 0.000 0.846 23 Q CB -0.328 28.639 28.738 0.380 0.000 0.902 23 Q HN 0.865 nan 8.270 nan 0.000 0.421 24 H N 0.069 119.245 119.070 0.175 0.000 2.293 24 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 24 H C 1.987 177.407 175.328 0.153 0.000 1.082 24 H CA 2.158 58.270 56.048 0.107 0.000 1.308 24 H CB -0.192 29.654 29.762 0.141 0.000 1.375 24 H HN 0.243 nan 8.280 nan 0.000 0.495 25 L N -0.181 121.189 121.223 0.245 0.000 2.012 25 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 25 L C 2.477 179.396 176.870 0.082 0.000 1.073 25 L CA 1.218 56.155 54.840 0.162 0.000 0.748 25 L CB -0.451 41.681 42.059 0.121 0.000 0.891 25 L HN 0.337 nan 8.230 nan 0.000 0.431 26 L N -0.283 120.967 121.223 0.045 0.000 2.275 26 L HA -0.174 4.165 4.340 -0.000 0.000 0.215 26 L C 2.600 179.437 176.870 -0.055 0.000 1.119 26 L CA 1.004 55.848 54.840 0.007 0.000 0.790 26 L CB -0.363 41.694 42.059 -0.003 0.000 0.919 26 L HN 0.286 nan 8.230 nan 0.000 0.443 27 K N -0.957 119.353 120.400 -0.150 0.000 2.211 27 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 27 K C 1.570 177.885 176.600 -0.475 0.000 1.052 27 K CA 0.638 56.722 56.287 -0.339 0.000 0.973 27 K CB 0.241 32.443 32.500 -0.496 0.000 0.766 27 K HN 0.356 nan 8.250 nan 0.000 0.466 28 H N -1.151 117.810 119.070 -0.183 0.000 2.549 28 H HA 0.105 4.661 4.556 -0.000 0.000 0.279 28 H C -0.436 174.876 175.328 -0.027 0.000 1.018 28 H CA 0.249 56.203 56.048 -0.156 0.000 1.175 28 H CB 0.412 30.007 29.762 -0.279 0.000 1.485 28 H HN 0.154 nan 8.280 nan 0.000 0.543 29 H N 0.666 119.731 119.070 -0.010 0.000 3.224 29 H HA 0.083 4.639 4.556 -0.000 0.000 0.331 29 H C 0.508 175.829 175.328 -0.011 0.000 1.002 29 H CA -0.247 55.804 56.048 0.006 0.000 1.473 29 H CB 1.453 31.232 29.762 0.028 0.000 1.830 29 H HN 0.080 nan 8.280 nan 0.000 0.485 30 S N 3.649 119.360 115.700 0.018 0.000 2.561 30 S HA 0.023 4.493 4.470 -0.000 0.000 0.225 30 S C 1.379 176.057 174.600 0.130 0.000 0.977 30 S CA 0.138 58.366 58.200 0.046 0.000 0.926 30 S CB 0.345 63.528 63.200 -0.029 0.000 0.769 30 S HN 0.531 nan 8.310 nan 0.000 0.533 31 R N 1.209 121.897 120.500 0.314 0.000 2.257 31 R HA 0.440 4.780 4.340 -0.000 0.000 0.195 31 R C 1.016 177.441 176.300 0.210 0.000 0.921 31 R CA 0.643 56.897 56.100 0.255 0.000 1.069 31 R CB -0.962 29.503 30.300 0.274 0.000 1.115 31 R HN 0.432 nan 8.270 nan 0.000 0.571 32 A N 2.978 125.897 122.820 0.164 0.000 2.587 32 A HA -0.045 4.275 4.320 -0.000 0.000 0.233 32 A C -0.216 177.421 177.584 0.088 0.000 1.049 32 A CA 0.426 52.434 52.037 -0.050 0.000 0.754 32 A CB -0.161 18.660 19.000 -0.299 0.000 0.977 32 A HN 0.273 nan 8.150 nan 0.000 0.509 33 H N 1.578 120.685 119.070 0.061 0.000 2.469 33 H HA 0.587 5.143 4.556 -0.000 0.000 0.342 33 H C -1.448 173.956 175.328 0.127 0.000 1.115 33 H CA -0.568 55.540 56.048 0.100 0.000 1.204 33 H CB 1.523 31.358 29.762 0.122 0.000 1.492 33 H HN 0.341 nan 8.280 nan 0.000 0.499 34 V N 5.434 125.428 119.914 0.133 0.000 2.448 34 V HA 0.189 4.309 4.120 -0.000 0.000 0.295 34 V C -0.381 175.866 176.094 0.255 0.000 1.025 34 V CA -0.834 61.579 62.300 0.190 0.000 0.859 34 V CB 1.755 33.606 31.823 0.046 0.000 0.988 34 V HN 0.723 nan 8.190 nan 0.000 0.431 35 D N 4.421 124.994 120.400 0.288 0.000 2.308 35 D HA 0.544 5.184 4.640 -0.000 0.000 0.242 35 D C -0.483 175.848 176.300 0.050 0.000 1.059 35 D CA -0.088 54.056 54.000 0.240 0.000 0.830 35 D CB 2.339 43.406 40.800 0.445 0.000 1.161 35 D HN 0.354 nan 8.370 nan 0.000 0.494 36 I N 3.058 123.570 120.570 -0.096 0.000 2.330 36 I HA 0.208 4.378 4.170 -0.000 0.000 0.289 36 I C -0.597 175.349 176.117 -0.284 0.000 1.001 36 I CA -0.769 60.446 61.300 -0.142 0.000 1.193 36 I CB 0.587 38.453 38.000 -0.223 0.000 1.345 36 I HN 0.144 nan 8.210 nan 0.000 0.461 37 Y N 4.399 124.652 120.300 -0.078 0.000 2.334 37 Y HA 0.489 5.039 4.550 -0.000 0.000 0.328 37 Y C 0.222 176.035 175.900 -0.146 0.000 1.130 37 Y CA -0.552 57.481 58.100 -0.110 0.000 1.163 37 Y CB 1.351 39.774 38.460 -0.062 0.000 1.207 37 Y HN 0.461 nan 8.280 nan 0.000 0.471 38 E N 1.875 122.017 120.200 -0.096 0.000 2.278 38 E HA 0.258 4.608 4.350 -0.000 0.000 0.272 38 E C -0.143 176.453 176.600 -0.006 0.000 0.890 38 E CA -0.899 55.483 56.400 -0.030 0.000 0.770 38 E CB 1.161 30.872 29.700 0.019 0.000 1.212 38 E HN 0.580 nan 8.360 nan 0.000 0.415 39 K N 2.827 123.243 120.400 0.027 0.000 2.148 39 K HA 0.026 4.346 4.320 -0.000 0.000 0.204 39 K C 0.574 177.187 176.600 0.022 0.000 1.050 39 K CA 0.626 56.922 56.287 0.016 0.000 0.942 39 K CB 0.072 32.572 32.500 -0.001 0.000 0.724 39 K HN 0.374 nan 8.250 nan 0.000 0.446 40 Q N 0.831 120.658 119.800 0.045 0.000 2.500 40 Q HA 0.103 4.443 4.340 -0.000 0.000 0.215 40 Q C 1.471 177.523 176.000 0.086 0.000 1.062 40 Q CA 0.046 55.882 55.803 0.056 0.000 0.996 40 Q CB 0.662 29.464 28.738 0.106 0.000 1.239 40 Q HN 0.240 nan 8.270 nan 0.000 0.578 41 L N 0.061 121.338 121.223 0.090 0.000 2.240 41 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 41 L C 1.066 178.025 176.870 0.148 0.000 1.106 41 L CA 0.363 55.259 54.840 0.093 0.000 0.793 41 L CB -0.036 42.056 42.059 0.055 0.000 0.927 41 L HN 0.352 nan 8.230 nan 0.000 0.446 42 V N -3.939 116.032 119.914 0.094 0.000 3.019 42 V HA 0.647 4.767 4.120 -0.000 0.000 0.317 42 V C -2.569 173.353 176.094 -0.287 0.000 1.094 42 V CA -1.999 60.184 62.300 -0.195 0.000 1.000 42 V CB 1.760 33.342 31.823 -0.402 0.000 1.060 42 V HN -0.182 nan 8.190 nan 0.000 0.443 43 P HA 0.570 nan 4.420 nan 0.000 0.301 43 P C -0.492 176.286 177.300 -0.871 0.000 1.309 43 P CA -0.049 62.512 63.100 -0.898 0.000 0.782 43 P CB 0.946 31.737 31.700 -1.515 0.000 1.282 44 F N -3.819 116.135 119.950 0.007 0.000 2.397 44 F HA -0.204 4.323 4.527 -0.000 0.000 0.438 44 F C 1.433 177.229 175.800 -0.007 0.000 0.555 44 F CA 1.137 59.130 58.000 -0.012 0.000 1.561 44 F CB -2.941 35.974 39.000 -0.141 0.000 2.188 44 F HN 0.704 nan 8.300 nan 0.000 0.267 45 G N 0.833 109.726 108.800 0.153 0.000 2.652 45 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.318 45 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.318 45 G C 1.080 176.077 174.900 0.163 0.000 1.295 45 G CA 0.657 45.867 45.100 0.183 0.000 0.999 45 G HN 0.589 nan 8.290 nan 0.000 0.548 46 L N 0.670 121.935 121.223 0.070 0.000 2.353 46 L HA -0.070 4.270 4.340 -0.000 0.000 0.220 46 L C 3.041 179.914 176.870 0.005 0.000 1.133 46 L CA 0.866 55.718 54.840 0.020 0.000 0.798 46 L CB -0.530 41.444 42.059 -0.142 0.000 0.922 46 L HN 0.360 nan 8.230 nan 0.000 0.445 47 V N -0.164 119.763 119.914 0.021 0.000 2.515 47 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 47 V C 2.596 178.657 176.094 -0.055 0.000 1.058 47 V CA 1.908 64.210 62.300 0.003 0.000 1.064 47 V CB -0.568 31.285 31.823 0.050 0.000 0.675 47 V HN 0.512 nan 8.190 nan 0.000 0.461 48 R N -0.997 119.431 120.500 -0.121 0.000 2.105 48 R HA 0.029 4.369 4.340 -0.000 0.000 0.214 48 R C 1.985 178.094 176.300 -0.319 0.000 1.091 48 R CA 1.073 56.991 56.100 -0.303 0.000 1.007 48 R CB -0.041 29.916 30.300 -0.572 0.000 0.912 48 R HN 0.422 nan 8.270 nan 0.000 0.450 49 F N -0.488 119.457 119.950 -0.008 0.000 2.776 49 F HA 0.371 4.898 4.527 -0.000 0.000 0.300 49 F C 1.819 177.583 175.800 -0.061 0.000 1.116 49 F CA 0.567 58.542 58.000 -0.041 0.000 1.375 49 F CB 0.503 39.477 39.000 -0.043 0.000 1.109 49 F HN 0.182 nan 8.300 nan 0.000 0.585 50 G N -0.337 108.523 108.800 0.101 0.000 2.808 50 G HA2 0.112 4.071 3.960 -0.000 0.000 0.210 50 G HA3 0.112 4.071 3.960 -0.000 0.000 0.210 50 G C 0.207 175.149 174.900 0.069 0.000 1.177 50 G CA -0.019 45.110 45.100 0.049 0.000 0.853 50 G HN -0.078 nan 8.290 nan 0.000 0.625 51 V N 2.837 122.789 119.914 0.063 0.000 2.584 51 V HA 0.339 4.459 4.120 -0.000 0.000 0.303 51 V C 1.199 177.362 176.094 0.116 0.000 1.035 51 V CA -0.283 62.078 62.300 0.101 0.000 1.172 51 V CB 0.126 31.990 31.823 0.068 0.000 0.896 51 V HN 0.559 nan 8.190 nan 0.000 0.486 52 A N 8.987 131.882 122.820 0.125 0.000 2.520 52 A HA 0.277 4.597 4.320 -0.000 0.000 0.235 52 A C -0.443 177.136 177.584 -0.008 0.000 1.065 52 A CA -0.592 51.470 52.037 0.042 0.000 0.764 52 A CB -0.173 18.689 19.000 -0.231 0.000 1.002 52 A HN 0.770 nan 8.150 nan 0.000 0.502 53 P HA -0.111 nan 4.420 nan 0.000 0.226 53 P C 0.200 177.455 177.300 -0.076 0.000 1.153 53 P CA 1.325 64.392 63.100 -0.054 0.000 0.777 53 P CB 0.025 31.675 31.700 -0.084 0.000 0.794 54 D N -1.904 118.413 120.400 -0.139 0.000 2.358 54 D HA -0.048 4.591 4.640 -0.000 0.000 0.224 54 D C 0.205 176.511 176.300 0.011 0.000 1.123 54 D CA -0.206 53.731 54.000 -0.106 0.000 0.833 54 D CB -1.249 39.455 40.800 -0.160 0.000 0.946 54 D HN 0.329 nan 8.370 nan 0.000 0.505 55 H N 0.562 119.613 119.070 -0.032 0.000 2.591 55 H HA 0.176 4.732 4.556 -0.000 0.000 0.241 55 H C -1.614 173.690 175.328 -0.040 0.000 1.292 55 H CA -1.486 54.544 56.048 -0.030 0.000 1.022 55 H CB 1.339 31.092 29.762 -0.014 0.000 1.875 55 H HN 0.039 nan 8.280 nan 0.000 0.570 56 P HA -0.228 nan 4.420 nan 0.000 0.217 56 P C 1.419 178.699 177.300 -0.032 0.000 1.150 56 P CA 1.239 64.338 63.100 -0.003 0.000 0.832 56 P CB 0.484 32.173 31.700 -0.019 0.000 0.787 57 E N 0.543 120.724 120.200 -0.031 0.000 2.153 57 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 57 E C 2.074 178.628 176.600 -0.077 0.000 0.988 57 E CA 0.997 57.362 56.400 -0.058 0.000 0.811 57 E CB -1.792 27.875 29.700 -0.055 0.000 0.746 57 E HN 0.130 nan 8.360 nan 0.000 0.466 58 V N 1.793 121.669 119.914 -0.063 0.000 2.392 58 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 58 V C 2.221 178.253 176.094 -0.105 0.000 1.059 58 V CA 2.174 64.430 62.300 -0.072 0.000 1.051 58 V CB -0.594 31.206 31.823 -0.039 0.000 0.658 58 V HN 0.245 nan 8.190 nan 0.000 0.455 59 K N 0.304 120.641 120.400 -0.105 0.000 2.525 59 K HA -0.013 4.307 4.320 -0.000 0.000 0.192 59 K C 1.610 178.067 176.600 -0.238 0.000 1.029 59 K CA 0.334 56.523 56.287 -0.163 0.000 1.029 59 K CB -0.225 32.201 32.500 -0.124 0.000 0.814 59 K HN 0.442 nan 8.250 nan 0.000 0.503 60 N N 1.056 119.633 118.700 -0.204 0.000 2.364 60 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 60 N C 1.617 176.928 175.510 -0.333 0.000 1.022 60 N CA 0.596 53.512 53.050 -0.223 0.000 0.883 60 N CB -0.097 38.295 38.487 -0.159 0.000 0.965 60 N HN 0.003 nan 8.380 nan 0.000 0.438 61 V N 1.332 121.002 119.914 -0.408 0.000 2.828 61 V HA -0.119 4.001 4.120 -0.000 0.000 0.260 61 V C 1.876 177.321 176.094 -1.081 0.000 1.101 61 V CA 0.841 62.745 62.300 -0.659 0.000 1.123 61 V CB -0.378 31.065 31.823 -0.633 0.000 0.704 61 V HN 0.226 nan 8.190 nan 0.000 0.493 62 I N 0.378 120.443 120.570 -0.842 0.000 2.493 62 I HA -0.174 3.996 4.170 -0.000 0.000 0.254 62 I C 2.170 177.873 176.117 -0.690 0.000 1.160 62 I CA 1.145 61.858 61.300 -0.979 0.000 1.445 62 I CB -0.434 37.033 38.000 -0.888 0.000 1.086 62 I HN 0.413 nan 8.210 nan 0.000 0.433 63 N N 0.026 118.446 118.700 -0.466 0.000 2.188 63 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 63 N C 1.945 177.304 175.510 -0.251 0.000 1.018 63 N CA 1.702 54.587 53.050 -0.274 0.000 0.858 63 N CB -0.489 37.880 38.487 -0.197 0.000 0.989 63 N HN 0.271 nan 8.380 nan 0.000 0.426 64 T N 0.353 114.701 114.554 -0.344 0.000 2.777 64 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 64 T C 1.567 176.171 174.700 -0.159 0.000 1.040 64 T CA 0.811 62.775 62.100 -0.227 0.000 1.141 64 T CB -0.184 68.552 68.868 -0.220 0.000 0.868 64 T HN -0.015 nan 8.240 nan 0.000 0.444 65 F N 1.913 121.596 119.950 -0.445 0.000 2.171 65 F HA 0.004 4.531 4.527 -0.000 0.000 0.300 65 F C 2.874 178.350 175.800 -0.540 0.000 1.090 65 F CA 1.046 58.631 58.000 -0.691 0.000 1.293 65 F CB -1.656 36.663 39.000 -1.135 0.000 1.013 65 F HN 0.196 nan 8.300 nan 0.000 0.486 66 T N -0.362 114.118 114.554 -0.124 0.000 2.788 66 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 66 T C 1.939 176.597 174.700 -0.070 0.000 1.044 66 T CA 1.184 63.305 62.100 0.035 0.000 1.139 66 T CB -0.142 68.840 68.868 0.191 0.000 0.867 66 T HN 0.139 nan 8.240 nan 0.000 0.454 67 Q N 0.825 120.590 119.800 -0.058 0.000 2.119 67 Q HA -0.017 4.323 4.340 -0.000 0.000 0.201 67 Q C 2.552 178.523 176.000 -0.048 0.000 0.972 67 Q CA 1.290 57.068 55.803 -0.042 0.000 0.847 67 Q CB -1.232 27.488 28.738 -0.030 0.000 0.903 67 Q HN 0.476 nan 8.270 nan 0.000 0.433 68 T N 1.469 116.006 114.554 -0.027 0.000 2.737 68 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 68 T C 1.883 176.560 174.700 -0.039 0.000 1.038 68 T CA 1.495 63.609 62.100 0.023 0.000 1.144 68 T CB -0.337 68.623 68.868 0.155 0.000 0.866 68 T HN 0.420 nan 8.240 nan 0.000 0.434 69 A N 1.680 124.416 122.820 -0.139 0.000 1.978 69 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 69 A C 2.255 179.585 177.584 -0.422 0.000 1.170 69 A CA 1.367 53.151 52.037 -0.422 0.000 0.636 69 A CB -0.485 17.715 19.000 -1.333 0.000 0.810 69 A HN 0.410 nan 8.150 nan 0.000 0.448 70 R N 0.016 120.349 120.500 -0.278 0.000 2.313 70 R HA 0.074 4.414 4.340 -0.000 0.000 0.199 70 R C 0.875 177.139 176.300 -0.059 0.000 0.958 70 R CA 0.414 56.448 56.100 -0.110 0.000 1.047 70 R CB -0.144 30.140 30.300 -0.027 0.000 0.955 70 R HN 0.441 nan 8.270 nan 0.000 0.481 71 S N 0.648 116.304 115.700 -0.073 0.000 2.568 71 S HA -0.048 4.422 4.470 -0.000 0.000 0.282 71 S C 0.794 175.361 174.600 -0.055 0.000 1.338 71 S CA -0.540 57.628 58.200 -0.054 0.000 1.045 71 S CB 0.734 63.899 63.200 -0.058 0.000 0.873 71 S HN 0.142 nan 8.310 nan 0.000 0.516 72 D N 2.937 123.316 120.400 -0.036 0.000 2.310 72 D HA -0.013 4.627 4.640 -0.000 0.000 0.212 72 D C 1.145 177.406 176.300 -0.064 0.000 0.965 72 D CA 0.886 54.876 54.000 -0.017 0.000 0.879 72 D CB 0.085 40.891 40.800 0.009 0.000 0.921 72 D HN 0.567 nan 8.370 nan 0.000 0.510 73 R N -0.556 119.853 120.500 -0.152 0.000 2.466 73 R HA 0.198 4.538 4.340 -0.000 0.000 0.279 73 R C -0.104 175.824 176.300 -0.621 0.000 0.976 73 R CA -0.201 55.666 56.100 -0.388 0.000 1.081 73 R CB 0.589 30.766 30.300 -0.205 0.000 1.215 73 R HN -0.020 nan 8.270 nan 0.000 0.546 74 C N 0.541 119.644 119.300 -0.328 0.000 2.563 74 C HA 0.849 5.309 4.460 -0.000 0.000 0.314 74 C C -0.727 174.218 174.990 -0.075 0.000 1.199 74 C CA -0.353 58.548 59.018 -0.196 0.000 1.564 74 C CB 1.069 28.746 27.740 -0.106 0.000 2.173 74 C HN 0.454 nan 8.230 nan 0.000 0.485 75 A N 4.238 127.061 122.820 0.005 0.000 2.475 75 A HA 0.828 5.148 4.320 -0.000 0.000 0.301 75 A C -1.448 176.017 177.584 -0.199 0.000 1.059 75 A CA -0.366 51.637 52.037 -0.056 0.000 0.710 75 A CB 1.110 20.135 19.000 0.041 0.000 1.288 75 A HN 1.044 nan 8.150 nan 0.000 0.408 76 F N 1.486 121.159 119.950 -0.463 0.000 2.469 76 F HA 0.732 5.259 4.527 -0.000 0.000 0.332 76 F C -1.548 173.829 175.800 -0.705 0.000 1.103 76 F CA -0.881 56.874 58.000 -0.408 0.000 0.979 76 F CB 1.529 40.511 39.000 -0.030 0.000 1.137 76 F HN 0.463 nan 8.300 nan 0.000 0.463 77 Y N 4.858 124.552 120.300 -1.010 0.000 2.705 77 Y HA 0.451 5.001 4.550 -0.000 0.000 0.355 77 Y C 0.550 175.916 175.900 -0.889 0.000 1.039 77 Y CA -1.024 56.619 58.100 -0.762 0.000 1.233 77 Y CB 1.092 39.133 38.460 -0.698 0.000 1.103 77 Y HN 0.760 nan 8.280 nan 0.000 0.624 78 G N 0.630 108.894 108.800 -0.893 0.000 2.616 78 G HA2 0.226 4.186 3.960 -0.000 0.000 0.268 78 G HA3 0.226 4.186 3.960 -0.000 0.000 0.268 78 G C 0.346 175.199 174.900 -0.079 0.000 1.213 78 G CA -0.334 44.505 45.100 -0.436 0.000 0.926 78 G HN 0.703 nan 8.290 nan 0.000 0.523 79 N N -2.486 116.214 118.700 -0.001 0.000 2.741 79 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 79 N C -0.582 174.961 175.510 0.056 0.000 1.115 79 N CA 0.982 54.057 53.050 0.042 0.000 0.724 79 N CB -1.053 37.476 38.487 0.069 0.000 1.090 79 N HN 0.414 nan 8.380 nan 0.000 0.558 80 V N 1.105 121.046 119.914 0.044 0.000 2.357 80 V HA 0.218 4.338 4.120 -0.000 0.000 0.281 80 V C 0.228 176.342 176.094 0.034 0.000 1.015 80 V CA -0.699 61.643 62.300 0.070 0.000 0.827 80 V CB 1.408 33.337 31.823 0.176 0.000 1.018 80 V HN 0.303 nan 8.190 nan 0.000 0.432 81 E N 4.822 125.023 120.200 0.002 0.000 1.941 81 E HA 0.345 4.695 4.350 -0.000 0.000 0.275 81 E C -0.411 176.149 176.600 -0.067 0.000 1.113 81 E CA -0.428 55.952 56.400 -0.033 0.000 0.878 81 E CB 1.053 30.731 29.700 -0.037 0.000 1.070 81 E HN 0.506 nan 8.360 nan 0.000 0.399 82 V N 4.305 124.165 119.914 -0.091 0.000 2.763 82 V HA 0.210 4.330 4.120 -0.000 0.000 0.306 82 V C 1.575 177.576 176.094 -0.155 0.000 1.059 82 V CA 1.341 63.558 62.300 -0.137 0.000 1.138 82 V CB 0.824 32.554 31.823 -0.155 0.000 0.940 82 V HN 1.071 nan 8.190 nan 0.000 0.489 83 G N 3.764 112.483 108.800 -0.135 0.000 2.258 83 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.233 83 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.233 83 G C 0.977 175.821 174.900 -0.094 0.000 1.006 83 G CA 0.718 45.742 45.100 -0.125 0.000 0.620 83 G HN 0.701 nan 8.290 nan 0.000 0.511 84 R N -0.531 119.918 120.500 -0.085 0.000 2.306 84 R HA 0.205 4.545 4.340 -0.000 0.000 0.183 84 R C 1.415 177.684 176.300 -0.052 0.000 0.937 84 R CA 0.738 56.801 56.100 -0.061 0.000 1.118 84 R CB 0.091 30.359 30.300 -0.053 0.000 1.224 84 R HN 0.153 nan 8.270 nan 0.000 0.597 85 D N 0.072 120.440 120.400 -0.052 0.000 2.289 85 D HA 0.039 4.679 4.640 -0.000 0.000 0.207 85 D C -0.173 176.087 176.300 -0.067 0.000 0.966 85 D CA 0.712 54.685 54.000 -0.045 0.000 0.868 85 D CB 1.048 41.833 40.800 -0.024 0.000 0.943 85 D HN 0.001 nan 8.370 nan 0.000 0.514 86 V N 0.500 120.361 119.914 -0.088 0.000 2.903 86 V HA 0.239 4.359 4.120 -0.000 0.000 0.289 86 V C -0.866 175.162 176.094 -0.110 0.000 1.355 86 V CA -0.570 61.666 62.300 -0.107 0.000 0.953 86 V CB 1.809 33.536 31.823 -0.160 0.000 1.102 86 V HN 0.141 nan 8.190 nan 0.000 0.435 87 T N 3.024 117.531 114.554 -0.079 0.000 2.874 87 T HA 0.471 4.821 4.350 -0.000 0.000 0.281 87 T C 1.168 175.826 174.700 -0.071 0.000 0.994 87 T CA 0.175 62.233 62.100 -0.070 0.000 1.015 87 T CB 1.565 70.408 68.868 -0.041 0.000 1.028 87 T HN 0.686 nan 8.240 nan 0.000 0.523 88 V N 1.277 121.156 119.914 -0.059 0.000 2.407 88 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 88 V C 2.978 179.065 176.094 -0.011 0.000 1.055 88 V CA 2.092 64.367 62.300 -0.040 0.000 1.049 88 V CB -1.113 30.703 31.823 -0.011 0.000 0.662 88 V HN 0.947 nan 8.190 nan 0.000 0.455 89 Q N 0.728 120.526 119.800 -0.003 0.000 2.084 89 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 89 Q C 2.074 178.089 176.000 0.025 0.000 0.978 89 Q CA 2.004 57.815 55.803 0.012 0.000 0.844 89 Q CB -0.312 28.431 28.738 0.008 0.000 0.898 89 Q HN 0.725 nan 8.270 nan 0.000 0.426 90 E N -0.486 119.729 120.200 0.025 0.000 2.150 90 E HA -0.110 4.239 4.350 -0.000 0.000 0.193 90 E C 1.927 178.584 176.600 0.094 0.000 0.985 90 E CA 0.879 57.319 56.400 0.067 0.000 0.814 90 E CB -0.044 29.694 29.700 0.062 0.000 0.752 90 E HN 0.373 nan 8.360 nan 0.000 0.466 91 L N 0.746 121.997 121.223 0.047 0.000 2.179 91 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 91 L C 2.438 179.425 176.870 0.194 0.000 1.096 91 L CA 0.938 55.838 54.840 0.100 0.000 0.779 91 L CB -0.248 41.750 42.059 -0.102 0.000 0.922 91 L HN 0.140 nan 8.230 nan 0.000 0.443 92 Q N -0.199 119.661 119.800 0.100 0.000 2.119 92 Q HA -0.189 4.151 4.340 -0.000 0.000 0.201 92 Q C 1.466 177.520 176.000 0.089 0.000 0.972 92 Q CA 1.272 57.137 55.803 0.103 0.000 0.847 92 Q CB -0.033 28.743 28.738 0.064 0.000 0.903 92 Q HN 0.479 nan 8.270 nan 0.000 0.433 93 D N 0.121 120.552 120.400 0.053 0.000 2.269 93 D HA -0.035 4.605 4.640 -0.000 0.000 0.208 93 D C 1.298 177.559 176.300 -0.066 0.000 0.963 93 D CA 0.869 54.861 54.000 -0.014 0.000 0.864 93 D CB 0.177 40.953 40.800 -0.041 0.000 0.936 93 D HN 0.226 nan 8.370 nan 0.000 0.505 94 A N -0.831 121.992 122.820 0.005 0.000 2.220 94 A HA 0.132 4.452 4.320 -0.000 0.000 0.211 94 A C 0.139 177.505 177.584 -0.364 0.000 1.176 94 A CA 0.259 52.216 52.037 -0.133 0.000 0.834 94 A CB 0.149 19.154 19.000 0.009 0.000 0.868 94 A HN 0.069 nan 8.150 nan 0.000 0.488 95 Y N -2.846 117.403 120.300 -0.085 0.000 2.662 95 Y HA 0.483 5.033 4.550 -0.000 0.000 0.335 95 Y C 1.074 176.892 175.900 -0.137 0.000 1.066 95 Y CA -0.808 57.229 58.100 -0.105 0.000 1.116 95 Y CB 0.933 39.406 38.460 0.022 0.000 1.308 95 Y HN 0.198 nan 8.280 nan 0.000 0.502 96 H N -0.003 119.207 119.070 0.233 0.000 2.497 96 H HA 0.542 5.098 4.556 -0.000 0.000 0.282 96 H C -0.144 175.293 175.328 0.181 0.000 1.003 96 H CA 0.769 56.911 56.048 0.156 0.000 1.307 96 H CB 0.509 30.339 29.762 0.113 0.000 1.437 96 H HN 0.521 nan 8.280 nan 0.000 0.544 97 A N 0.332 123.338 122.820 0.310 0.000 2.574 97 A HA 0.578 4.898 4.320 -0.000 0.000 0.297 97 A C -1.597 176.093 177.584 0.176 0.000 1.062 97 A CA -0.581 51.612 52.037 0.260 0.000 0.686 97 A CB 1.448 20.571 19.000 0.204 0.000 1.285 97 A HN -0.008 nan 8.150 nan 0.000 0.403 98 V N 1.488 121.515 119.914 0.190 0.000 2.577 98 V HA 0.539 4.659 4.120 -0.000 0.000 0.303 98 V C -0.656 175.540 176.094 0.169 0.000 1.042 98 V CA -0.575 61.778 62.300 0.088 0.000 0.872 98 V CB 1.748 33.596 31.823 0.041 0.000 0.998 98 V HN 0.744 nan 8.190 nan 0.000 0.423 99 V N 6.110 126.088 119.914 0.107 0.000 2.384 99 V HA 0.443 4.563 4.120 -0.000 0.000 0.287 99 V C -0.107 176.056 176.094 0.115 0.000 1.020 99 V CA -0.519 61.865 62.300 0.140 0.000 0.850 99 V CB 1.651 33.527 31.823 0.089 0.000 0.987 99 V HN 0.643 nan 8.190 nan 0.000 0.436 100 L N 4.371 125.675 121.223 0.134 0.000 2.278 100 L HA 0.408 4.748 4.340 -0.000 0.000 0.287 100 L C 0.503 177.400 176.870 0.044 0.000 1.072 100 L CA 0.210 55.139 54.840 0.149 0.000 0.819 100 L CB 1.128 43.298 42.059 0.185 0.000 1.176 100 L HN 0.685 nan 8.230 nan 0.000 0.435 101 S N 1.319 117.058 115.700 0.064 0.000 2.901 101 S HA 0.103 4.573 4.470 -0.000 0.000 0.248 101 S C 0.260 174.879 174.600 0.033 0.000 1.021 101 S CA -0.556 57.646 58.200 0.004 0.000 1.090 101 S CB -0.005 63.210 63.200 0.025 0.000 1.039 101 S HN 0.626 nan 8.310 nan 0.000 0.514 102 Y N 0.764 121.105 120.300 0.068 0.000 2.496 102 Y HA 0.548 5.098 4.550 -0.000 0.000 0.313 102 Y C 1.046 177.002 175.900 0.093 0.000 1.184 102 Y CA -0.433 57.705 58.100 0.063 0.000 1.275 102 Y CB -1.084 37.405 38.460 0.048 0.000 1.103 102 Y HN 0.338 nan 8.280 nan 0.000 0.513 103 G N 1.321 110.128 108.800 0.013 0.000 2.598 103 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.269 103 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.269 103 G C -0.161 174.878 174.900 0.233 0.000 1.289 103 G CA 0.008 45.190 45.100 0.137 0.000 0.926 103 G HN 1.305 nan 8.290 nan 0.000 0.567 104 A N -0.871 122.185 122.820 0.393 0.000 2.664 104 A HA 0.719 5.039 4.320 -0.000 0.000 0.338 104 A C 0.639 178.445 177.584 0.369 0.000 1.280 104 A CA 0.990 53.262 52.037 0.392 0.000 0.809 104 A CB 0.993 20.252 19.000 0.432 0.000 1.114 104 A HN 0.815 nan 8.150 nan 0.000 0.479 105 E N 1.503 121.883 120.200 0.300 0.000 2.250 105 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 105 E C -0.012 176.750 176.600 0.270 0.000 0.986 105 E CA 0.301 56.849 56.400 0.246 0.000 0.849 105 E CB 0.201 30.011 29.700 0.183 0.000 0.797 105 E HN 0.806 nan 8.360 nan 0.000 0.482 106 D N -0.707 119.851 120.400 0.263 0.000 2.346 106 D HA 0.065 4.705 4.640 -0.000 0.000 0.249 106 D C -0.206 176.309 176.300 0.358 0.000 1.308 106 D CA 0.620 54.767 54.000 0.245 0.000 0.987 106 D CB 0.392 41.291 40.800 0.166 0.000 1.114 106 D HN 0.136 nan 8.370 nan 0.000 0.529 107 H N -0.424 118.696 119.070 0.082 0.000 3.026 107 H HA 0.104 4.660 4.556 -0.000 0.000 0.352 107 H C -0.975 174.272 175.328 -0.134 0.000 1.090 107 H CA -0.974 54.996 56.048 -0.131 0.000 1.268 107 H CB 0.932 30.626 29.762 -0.112 0.000 1.816 107 H HN 0.078 nan 8.280 nan 0.000 0.518 108 Q N 2.282 122.039 119.800 -0.071 0.000 2.274 108 Q HA 0.158 4.498 4.340 -0.000 0.000 0.280 108 Q C -0.257 175.508 176.000 -0.392 0.000 1.047 108 Q CA 0.064 55.767 55.803 -0.167 0.000 0.907 108 Q CB 0.880 29.575 28.738 -0.072 0.000 1.171 108 Q HN 0.607 nan 8.270 nan 0.000 0.381 109 A N 3.969 126.641 122.820 -0.246 0.000 2.515 109 A HA -0.023 4.297 4.320 -0.000 0.000 0.263 109 A C 1.164 178.637 177.584 -0.186 0.000 1.096 109 A CA -0.297 51.602 52.037 -0.231 0.000 0.769 109 A CB 0.007 18.932 19.000 -0.125 0.000 1.040 109 A HN 0.813 nan 8.150 nan 0.000 0.505 110 L N 2.390 123.493 121.223 -0.200 0.000 2.137 110 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 110 L C 1.150 177.976 176.870 -0.073 0.000 1.085 110 L CA 2.325 57.099 54.840 -0.111 0.000 0.760 110 L CB -0.826 41.183 42.059 -0.082 0.000 0.893 110 L HN 0.997 nan 8.230 nan 0.000 0.434 111 D N -0.792 119.564 120.400 -0.075 0.000 2.697 111 D HA -0.226 4.414 4.640 -0.000 0.000 0.238 111 D C -0.325 175.952 176.300 -0.038 0.000 1.152 111 D CA 1.162 55.131 54.000 -0.052 0.000 0.666 111 D CB -0.925 39.848 40.800 -0.045 0.000 1.037 111 D HN 0.511 nan 8.370 nan 0.000 0.423 112 I N -3.829 116.718 120.570 -0.038 0.000 2.769 112 I HA 0.698 4.868 4.170 -0.000 0.000 0.298 112 I C -2.535 173.564 176.117 -0.030 0.000 1.128 112 I CA -2.452 58.830 61.300 -0.029 0.000 1.031 112 I CB 2.490 40.476 38.000 -0.024 0.000 1.235 112 I HN -0.264 nan 8.210 nan 0.000 0.423 113 P HA 0.106 nan 4.420 nan 0.000 0.266 113 P C 0.773 178.056 177.300 -0.029 0.000 1.195 113 P CA 1.077 64.161 63.100 -0.026 0.000 0.768 113 P CB 0.902 32.590 31.700 -0.021 0.000 0.838 114 G N 2.637 111.417 108.800 -0.032 0.000 2.184 114 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 114 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 114 G C 0.783 175.653 174.900 -0.049 0.000 0.975 114 G CA 0.579 45.656 45.100 -0.038 0.000 0.642 114 G HN 0.697 nan 8.290 nan 0.000 0.536 115 E N -0.160 120.010 120.200 -0.050 0.000 2.478 115 E HA 0.023 4.373 4.350 -0.000 0.000 0.198 115 E C 1.463 178.016 176.600 -0.077 0.000 1.046 115 E CA 1.011 57.374 56.400 -0.061 0.000 0.870 115 E CB -0.012 29.653 29.700 -0.058 0.000 0.818 115 E HN 0.385 nan 8.360 nan 0.000 0.527 116 E N 0.643 120.800 120.200 -0.071 0.000 2.474 116 E HA 0.161 4.511 4.350 -0.000 0.000 0.194 116 E C 0.521 177.065 176.600 -0.094 0.000 1.041 116 E CA -0.060 56.294 56.400 -0.076 0.000 0.874 116 E CB 0.201 29.869 29.700 -0.054 0.000 0.914 116 E HN 0.356 nan 8.360 nan 0.000 0.498 117 L N 2.499 123.666 121.223 -0.094 0.000 2.485 117 L HA 0.061 4.400 4.340 -0.000 0.000 0.275 117 L C -2.026 174.751 176.870 -0.154 0.000 1.207 117 L CA -1.456 53.326 54.840 -0.098 0.000 0.855 117 L CB -0.139 41.875 42.059 -0.076 0.000 1.114 117 L HN -0.247 nan 8.230 nan 0.000 0.485 118 P HA 0.074 nan 4.420 nan 0.000 0.267 118 P C 0.577 177.754 177.300 -0.206 0.000 1.205 118 P CA 0.695 63.690 63.100 -0.174 0.000 0.765 118 P CB 0.846 32.501 31.700 -0.075 0.000 0.828 119 G N 1.447 110.000 108.800 -0.411 0.000 2.284 119 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.201 119 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.201 119 G C -0.174 174.466 174.900 -0.433 0.000 0.998 119 G CA -0.389 44.550 45.100 -0.270 0.000 0.651 119 G HN 0.485 nan 8.290 nan 0.000 0.489 120 V N 2.272 121.841 119.914 -0.575 0.000 2.364 120 V HA 0.736 4.856 4.120 -0.000 0.000 0.272 120 V C -0.227 175.525 176.094 -0.570 0.000 1.036 120 V CA -0.235 61.840 62.300 -0.376 0.000 0.880 120 V CB 0.442 32.140 31.823 -0.208 0.000 0.991 120 V HN 0.219 nan 8.190 nan 0.000 0.460 121 F N 1.822 121.807 119.950 0.057 0.000 2.593 121 F HA 0.549 5.076 4.527 -0.000 0.000 0.320 121 F C 0.582 176.479 175.800 0.162 0.000 1.060 121 F CA -0.791 57.270 58.000 0.101 0.000 0.940 121 F CB 2.008 41.076 39.000 0.113 0.000 1.268 121 F HN 0.368 nan 8.300 nan 0.000 0.475 122 S N 0.960 116.925 115.700 0.442 0.000 2.528 122 S HA 0.478 4.948 4.470 -0.000 0.000 0.277 122 S C 0.978 175.796 174.600 0.364 0.000 1.297 122 S CA -0.057 58.406 58.200 0.439 0.000 1.052 122 S CB 1.049 64.534 63.200 0.476 0.000 0.917 122 S HN 0.819 nan 8.310 nan 0.000 0.492 123 A N 5.694 128.703 122.820 0.315 0.000 1.908 123 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 123 A C 2.194 179.903 177.584 0.208 0.000 1.181 123 A CA 1.372 53.562 52.037 0.256 0.000 0.627 123 A CB -0.493 18.643 19.000 0.226 0.000 0.818 123 A HN 0.933 nan 8.150 nan 0.000 0.445 124 R N -0.812 119.754 120.500 0.110 0.000 2.307 124 R HA 0.141 4.481 4.340 -0.000 0.000 0.199 124 R C 2.109 178.441 176.300 0.053 0.000 1.000 124 R CA 0.615 56.699 56.100 -0.027 0.000 1.023 124 R CB -0.205 29.924 30.300 -0.285 0.000 0.908 124 R HN 0.538 nan 8.270 nan 0.000 0.473 125 A N 0.271 123.188 122.820 0.162 0.000 1.935 125 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 125 A C 1.760 179.420 177.584 0.126 0.000 1.178 125 A CA 0.502 52.629 52.037 0.149 0.000 0.640 125 A CB -0.359 18.778 19.000 0.228 0.000 0.825 125 A HN 0.319 nan 8.150 nan 0.000 0.447 126 F N 0.755 120.718 119.950 0.022 0.000 2.134 126 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 126 F C 2.217 177.982 175.800 -0.058 0.000 1.097 126 F CA 1.916 59.926 58.000 0.017 0.000 1.264 126 F CB -0.164 38.861 39.000 0.043 0.000 1.001 126 F HN 0.030 nan 8.300 nan 0.000 0.479 127 V N 0.235 120.078 119.914 -0.118 0.000 2.295 127 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 127 V C 2.764 178.463 176.094 -0.658 0.000 1.049 127 V CA 1.956 63.821 62.300 -0.726 0.000 1.024 127 V CB -1.644 30.019 31.823 -0.268 0.000 0.648 127 V HN 0.532 nan 8.190 nan 0.000 0.447 128 G N -1.216 107.435 108.800 -0.248 0.000 2.442 128 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 128 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 128 G C 1.302 176.120 174.900 -0.138 0.000 1.141 128 G CA 0.898 45.909 45.100 -0.148 0.000 0.763 128 G HN 0.644 nan 8.290 nan 0.000 0.554 129 W N 1.994 123.095 121.300 -0.332 0.000 2.332 129 W HA -0.200 4.460 4.660 -0.000 0.000 0.321 129 W C 2.394 178.774 176.519 -0.233 0.000 1.219 129 W CA 2.041 59.210 57.345 -0.295 0.000 1.277 129 W CB -0.771 28.445 29.460 -0.406 0.000 1.161 129 W HN 0.401 nan 8.180 nan 0.000 0.476 130 Y N -0.768 119.194 120.300 -0.564 0.000 2.519 130 Y HA 0.246 4.796 4.550 -0.000 0.000 0.287 130 Y C 1.514 177.195 175.900 -0.365 0.000 1.128 130 Y CA 0.982 58.623 58.100 -0.764 0.000 1.282 130 Y CB -1.599 36.444 38.460 -0.696 0.000 1.027 130 Y HN -0.083 nan 8.280 nan 0.000 0.551 131 N N 0.719 119.325 118.700 -0.157 0.000 2.322 131 N HA 0.134 4.874 4.740 -0.000 0.000 0.194 131 N C 1.371 176.932 175.510 0.086 0.000 1.126 131 N CA 0.877 53.941 53.050 0.024 0.000 0.845 131 N CB 0.279 38.779 38.487 0.021 0.000 0.976 131 N HN 0.666 nan 8.380 nan 0.000 0.475 132 G N 0.731 109.532 108.800 0.001 0.000 2.143 132 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.249 132 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.249 132 G C -0.019 174.983 174.900 0.169 0.000 0.981 132 G CA -0.011 45.133 45.100 0.072 0.000 0.665 132 G HN 0.335 nan 8.290 nan 0.000 0.528 133 L N 1.174 122.435 121.223 0.064 0.000 2.562 133 L HA 0.439 4.779 4.340 -0.000 0.000 0.271 133 L C -0.119 176.655 176.870 -0.160 0.000 1.167 133 L CA -1.126 53.532 54.840 -0.304 0.000 0.917 133 L CB 0.786 42.590 42.059 -0.427 0.000 1.187 133 L HN -0.071 nan 8.230 nan 0.000 0.482 134 P HA -0.263 nan 4.420 nan 0.000 0.218 134 P C 0.942 178.215 177.300 -0.045 0.000 1.154 134 P CA 2.001 65.066 63.100 -0.057 0.000 0.872 134 P CB 0.048 31.720 31.700 -0.047 0.000 0.790 135 E N -0.745 119.409 120.200 -0.077 0.000 2.409 135 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 135 E C 0.790 177.392 176.600 0.003 0.000 1.024 135 E CA 1.040 57.420 56.400 -0.033 0.000 0.861 135 E CB -0.933 28.740 29.700 -0.045 0.000 0.788 135 E HN 0.383 nan 8.360 nan 0.000 0.521 136 N N 0.553 119.257 118.700 0.006 0.000 2.214 136 N HA 0.082 4.822 4.740 -0.000 0.000 0.214 136 N C 1.212 176.809 175.510 0.146 0.000 1.132 136 N CA -0.231 52.860 53.050 0.069 0.000 0.856 136 N CB 0.359 38.884 38.487 0.063 0.000 1.020 136 N HN 0.208 nan 8.380 nan 0.000 0.509 137 R N 0.629 121.188 120.500 0.098 0.000 2.148 137 R HA 0.030 4.370 4.340 -0.000 0.000 0.227 137 R C 0.406 176.812 176.300 0.177 0.000 1.103 137 R CA 1.066 57.241 56.100 0.125 0.000 0.983 137 R CB -0.022 30.311 30.300 0.056 0.000 0.874 137 R HN 0.094 nan 8.270 nan 0.000 0.451 138 E N 0.941 121.217 120.200 0.126 0.000 2.437 138 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 138 E C 1.157 177.796 176.600 0.065 0.000 1.029 138 E CA -0.209 56.251 56.400 0.100 0.000 0.948 138 E CB 0.488 30.229 29.700 0.068 0.000 1.082 138 E HN 0.207 nan 8.360 nan 0.000 0.456 139 L N 1.356 122.604 121.223 0.042 0.000 2.012 139 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 139 L C 0.805 177.527 176.870 -0.248 0.000 1.073 139 L CA 1.738 56.499 54.840 -0.131 0.000 0.748 139 L CB -0.486 41.363 42.059 -0.349 0.000 0.891 139 L HN 0.216 nan 8.230 nan 0.000 0.431 140 A N -0.574 122.048 122.820 -0.330 0.000 2.312 140 A HA -0.161 4.158 4.320 -0.000 0.000 0.286 140 A C -1.735 175.656 177.584 -0.322 0.000 1.425 140 A CA 0.430 52.316 52.037 -0.252 0.000 0.748 140 A CB -2.442 16.537 19.000 -0.036 0.000 1.126 140 A HN 0.504 nan 8.150 nan 0.000 0.368 141 P HA 0.230 nan 4.420 nan 0.000 0.271 141 P C -0.501 176.709 177.300 -0.150 0.000 1.218 141 P CA -0.074 62.725 63.100 -0.502 0.000 0.780 141 P CB 0.676 31.862 31.700 -0.857 0.000 0.901 142 D N 2.509 122.948 120.400 0.065 0.000 2.339 142 D HA 0.136 4.776 4.640 -0.000 0.000 0.241 142 D C 0.392 176.730 176.300 0.063 0.000 1.183 142 D CA -0.162 53.877 54.000 0.064 0.000 0.859 142 D CB 0.275 41.130 40.800 0.092 0.000 1.067 142 D HN 0.282 nan 8.370 nan 0.000 0.484 143 L N 3.106 124.357 121.223 0.047 0.000 2.928 143 L HA 0.070 4.410 4.340 -0.000 0.000 0.246 143 L C 1.781 178.683 176.870 0.054 0.000 1.239 143 L CA -0.157 54.720 54.840 0.061 0.000 1.035 143 L CB 0.105 42.214 42.059 0.083 0.000 1.360 143 L HN 0.277 nan 8.230 nan 0.000 0.529 144 S N -1.408 114.321 115.700 0.048 0.000 2.558 144 S HA -0.026 4.444 4.470 -0.000 0.000 0.217 144 S C 1.027 175.650 174.600 0.038 0.000 0.975 144 S CA -0.475 57.749 58.200 0.040 0.000 0.912 144 S CB -0.664 62.557 63.200 0.037 0.000 0.776 144 S HN 0.539 nan 8.310 nan 0.000 0.526 145 C N 2.316 121.642 119.300 0.043 0.000 2.520 145 C HA 0.705 5.165 4.460 -0.000 0.000 0.376 145 C C 1.091 176.104 174.990 0.038 0.000 1.268 145 C CA -0.270 58.772 59.018 0.041 0.000 2.414 145 C CB 0.618 28.387 27.740 0.048 0.000 2.521 145 C HN 0.569 nan 8.230 nan 0.000 0.618 146 D N -0.423 119.999 120.400 0.037 0.000 2.379 146 D HA 0.159 4.799 4.640 -0.000 0.000 0.208 146 D C 0.234 176.552 176.300 0.031 0.000 1.065 146 D CA 0.070 54.088 54.000 0.030 0.000 0.848 146 D CB -0.051 40.764 40.800 0.026 0.000 0.949 146 D HN 0.614 nan 8.370 nan 0.000 0.509 147 T N 0.322 114.906 114.554 0.051 0.000 2.824 147 T HA 0.750 5.100 4.350 -0.000 0.000 0.282 147 T C -0.862 173.884 174.700 0.077 0.000 0.993 147 T CA -0.733 61.411 62.100 0.073 0.000 0.967 147 T CB 1.787 70.736 68.868 0.135 0.000 0.960 147 T HN 0.219 nan 8.240 nan 0.000 0.441 148 A N 2.611 125.472 122.820 0.067 0.000 2.371 148 A HA 0.829 5.149 4.320 -0.000 0.000 0.311 148 A C -0.878 176.773 177.584 0.112 0.000 1.068 148 A CA -0.656 51.416 52.037 0.059 0.000 0.744 148 A CB 1.304 20.301 19.000 -0.004 0.000 1.239 148 A HN 0.660 nan 8.150 nan 0.000 0.435 149 V N 3.549 123.532 119.914 0.115 0.000 2.448 149 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 149 V C -0.431 175.724 176.094 0.102 0.000 1.025 149 V CA -0.208 62.184 62.300 0.152 0.000 0.859 149 V CB 1.393 33.298 31.823 0.136 0.000 0.988 149 V HN 0.748 nan 8.190 nan 0.000 0.431 150 I N 5.659 126.298 120.570 0.114 0.000 2.378 150 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 150 I C -0.576 175.605 176.117 0.108 0.000 0.992 150 I CA -0.544 60.813 61.300 0.096 0.000 1.154 150 I CB 1.768 39.820 38.000 0.086 0.000 1.315 150 I HN 0.339 nan 8.210 nan 0.000 0.448 151 L N 6.167 127.453 121.223 0.105 0.000 2.264 151 L HA 0.749 5.089 4.340 -0.000 0.000 0.289 151 L C 0.481 177.420 176.870 0.115 0.000 1.044 151 L CA -0.287 54.611 54.840 0.096 0.000 0.807 151 L CB 0.975 43.084 42.059 0.085 0.000 1.192 151 L HN 0.905 nan 8.230 nan 0.000 0.425 152 G N 3.123 111.987 108.800 0.106 0.000 2.576 152 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 152 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 152 G C -0.909 174.082 174.900 0.151 0.000 1.242 152 G CA -0.836 44.337 45.100 0.121 0.000 0.819 152 G HN 0.567 nan 8.290 nan 0.000 0.655 153 Q N 0.383 120.282 119.800 0.164 0.000 2.928 153 Q HA 0.513 4.853 4.340 -0.000 0.000 0.353 153 Q C 0.681 176.849 176.000 0.281 0.000 0.870 153 Q CA 0.014 55.974 55.803 0.262 0.000 0.963 153 Q CB 1.327 30.219 28.738 0.257 0.000 1.419 153 Q HN 1.041 nan 8.270 nan 0.000 0.396 154 G N -0.060 108.901 108.800 0.268 0.000 3.016 154 G HA2 0.169 4.129 3.960 -0.000 0.000 0.270 154 G HA3 0.169 4.129 3.960 -0.000 0.000 0.270 154 G C 0.336 175.413 174.900 0.295 0.000 1.352 154 G CA -0.478 44.769 45.100 0.245 0.000 1.060 154 G HN 0.138 nan 8.290 nan 0.000 0.538 155 N N -1.020 117.830 118.700 0.250 0.000 2.381 155 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 155 N C 2.315 177.927 175.510 0.171 0.000 1.025 155 N CA 0.454 53.632 53.050 0.214 0.000 0.888 155 N CB -0.004 38.604 38.487 0.201 0.000 0.965 155 N HN 0.178 nan 8.380 nan 0.000 0.438 156 V N 0.767 120.781 119.914 0.166 0.000 2.427 156 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 156 V C 2.287 178.465 176.094 0.141 0.000 1.051 156 V CA 1.715 64.100 62.300 0.140 0.000 1.048 156 V CB -0.905 30.977 31.823 0.099 0.000 0.666 156 V HN 0.287 nan 8.190 nan 0.000 0.456 157 A N -0.188 122.721 122.820 0.149 0.000 1.902 157 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 157 A C 2.203 179.831 177.584 0.074 0.000 1.181 157 A CA 1.596 53.711 52.037 0.129 0.000 0.623 157 A CB -0.461 18.637 19.000 0.163 0.000 0.818 157 A HN 0.497 nan 8.150 nan 0.000 0.443 158 L N -0.842 120.410 121.223 0.048 0.000 2.093 158 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 158 L C 2.093 178.935 176.870 -0.048 0.000 1.085 158 L CA 1.415 56.212 54.840 -0.072 0.000 0.755 158 L CB -0.718 41.255 42.059 -0.143 0.000 0.904 158 L HN 0.291 nan 8.230 nan 0.000 0.435 159 D N -0.096 120.327 120.400 0.039 0.000 2.084 159 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 159 D C 2.301 178.661 176.300 0.099 0.000 0.990 159 D CA 1.072 55.105 54.000 0.055 0.000 0.826 159 D CB -0.145 40.737 40.800 0.137 0.000 0.971 159 D HN -0.024 nan 8.370 nan 0.000 0.453 160 V N 0.917 120.937 119.914 0.177 0.000 2.332 160 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 160 V C 2.378 178.520 176.094 0.080 0.000 1.055 160 V CA 1.844 64.285 62.300 0.236 0.000 1.038 160 V CB -0.811 31.105 31.823 0.155 0.000 0.651 160 V HN 0.220 nan 8.190 nan 0.000 0.450 161 A N -0.176 122.647 122.820 0.006 0.000 1.898 161 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 161 A C 2.421 179.951 177.584 -0.090 0.000 1.181 161 A CA 1.968 53.976 52.037 -0.049 0.000 0.620 161 A CB -0.550 18.404 19.000 -0.075 0.000 0.819 161 A HN 0.467 nan 8.150 nan 0.000 0.442 162 R N -0.538 119.886 120.500 -0.127 0.000 2.081 162 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 162 R C 1.841 178.064 176.300 -0.128 0.000 1.131 162 R CA 1.578 57.579 56.100 -0.165 0.000 0.960 162 R CB -0.253 29.935 30.300 -0.186 0.000 0.856 162 R HN 0.443 nan 8.270 nan 0.000 0.436 163 I N 1.085 121.591 120.570 -0.106 0.000 2.252 163 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 163 I C 2.233 178.330 176.117 -0.034 0.000 1.102 163 I CA 1.201 62.416 61.300 -0.141 0.000 1.385 163 I CB -0.894 36.934 38.000 -0.286 0.000 1.064 163 I HN 0.290 nan 8.210 nan 0.000 0.414 164 L N -0.204 121.044 121.223 0.042 0.000 2.201 164 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 164 L C 2.068 178.940 176.870 0.004 0.000 1.105 164 L CA 1.028 55.907 54.840 0.064 0.000 0.775 164 L CB -0.188 41.891 42.059 0.033 0.000 0.913 164 L HN 0.214 nan 8.230 nan 0.000 0.440 165 L N -1.884 119.317 121.223 -0.037 0.000 2.693 165 L HA 0.146 4.485 4.340 -0.000 0.000 0.235 165 L C 0.518 177.342 176.870 -0.077 0.000 1.127 165 L CA -0.226 54.585 54.840 -0.048 0.000 0.914 165 L CB 0.156 42.191 42.059 -0.041 0.000 1.193 165 L HN -0.009 nan 8.230 nan 0.000 0.502 166 T N 2.154 116.650 114.554 -0.098 0.000 2.851 166 T HA 0.169 4.519 4.350 -0.000 0.000 0.298 166 T C -2.312 172.281 174.700 -0.180 0.000 0.977 166 T CA -0.886 61.135 62.100 -0.131 0.000 1.126 166 T CB 0.843 69.638 68.868 -0.121 0.000 0.916 166 T HN -0.136 nan 8.240 nan 0.000 0.529 167 P HA 0.105 nan 4.420 nan 0.000 0.261 167 P C -1.850 175.275 177.300 -0.292 0.000 1.203 167 P CA -1.104 61.775 63.100 -0.368 0.000 0.767 167 P CB 0.203 31.492 31.700 -0.685 0.000 0.785 168 P HA -0.276 nan 4.420 nan 0.000 0.219 168 P C 0.796 178.060 177.300 -0.060 0.000 1.153 168 P CA 1.569 64.616 63.100 -0.088 0.000 0.865 168 P CB -0.015 31.653 31.700 -0.054 0.000 0.788 169 D N -2.285 118.083 120.400 -0.053 0.000 2.149 169 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 169 D C 1.526 177.917 176.300 0.150 0.000 0.990 169 D CA 1.063 55.092 54.000 0.048 0.000 0.839 169 D CB -0.783 40.073 40.800 0.092 0.000 0.948 169 D HN 0.477 nan 8.370 nan 0.000 0.460 170 H N -1.064 117.979 119.070 -0.045 0.000 2.563 170 H HA 0.044 4.600 4.556 -0.000 0.000 0.272 170 H C 0.806 176.094 175.328 -0.066 0.000 1.005 170 H CA -0.179 55.838 56.048 -0.051 0.000 1.171 170 H CB 0.517 30.248 29.762 -0.051 0.000 1.351 170 H HN 0.053 nan 8.280 nan 0.000 0.602 171 L N 0.151 121.396 121.223 0.036 0.000 2.693 171 L HA 0.060 4.400 4.340 -0.000 0.000 0.235 171 L C 1.722 178.566 176.870 -0.043 0.000 1.127 171 L CA 0.568 55.386 54.840 -0.036 0.000 0.914 171 L CB 0.226 42.232 42.059 -0.089 0.000 1.193 171 L HN 0.171 nan 8.230 nan 0.000 0.502 172 E N 0.199 120.387 120.200 -0.020 0.000 2.118 172 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 172 E C 1.035 177.615 176.600 -0.033 0.000 0.992 172 E CA 1.109 57.493 56.400 -0.027 0.000 0.804 172 E CB 0.027 29.720 29.700 -0.011 0.000 0.741 172 E HN 0.387 nan 8.360 nan 0.000 0.458 173 K N 0.930 121.311 120.400 -0.031 0.000 2.397 173 K HA 0.062 4.382 4.320 -0.000 0.000 0.202 173 K C 0.405 176.980 176.600 -0.041 0.000 1.022 173 K CA 0.025 56.291 56.287 -0.035 0.000 1.141 173 K CB 0.791 33.271 32.500 -0.033 0.000 0.857 173 K HN 0.125 nan 8.250 nan 0.000 0.514 174 T N -1.119 113.406 114.554 -0.048 0.000 2.849 174 T HA 0.070 4.420 4.350 -0.000 0.000 0.276 174 T C 0.656 175.322 174.700 -0.056 0.000 0.971 174 T CA -0.725 61.343 62.100 -0.053 0.000 0.949 174 T CB 1.069 69.898 68.868 -0.066 0.000 1.093 174 T HN 0.079 nan 8.240 nan 0.000 0.545 175 D N -0.562 119.806 120.400 -0.053 0.000 2.352 175 D HA 0.124 4.764 4.640 -0.000 0.000 0.236 175 D C 0.565 176.830 176.300 -0.058 0.000 1.148 175 D CA -0.610 53.360 54.000 -0.049 0.000 0.844 175 D CB -0.911 39.866 40.800 -0.039 0.000 0.933 175 D HN 0.649 nan 8.370 nan 0.000 0.507 176 I N 1.541 122.063 120.570 -0.080 0.000 2.892 176 I HA -0.003 4.167 4.170 -0.000 0.000 0.287 176 I C 0.587 176.632 176.117 -0.121 0.000 1.205 176 I CA -0.180 61.055 61.300 -0.109 0.000 1.409 176 I CB 0.714 38.616 38.000 -0.164 0.000 1.367 176 I HN 0.123 nan 8.210 nan 0.000 0.597 177 T N 2.894 117.351 114.554 -0.162 0.000 2.930 177 T HA 0.074 4.424 4.350 -0.000 0.000 0.306 177 T C 1.074 175.674 174.700 -0.167 0.000 1.045 177 T CA 0.007 62.007 62.100 -0.167 0.000 1.134 177 T CB 1.008 69.737 68.868 -0.231 0.000 0.961 177 T HN 0.800 nan 8.240 nan 0.000 0.545 178 E N 2.227 122.360 120.200 -0.111 0.000 2.204 178 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 178 E C 2.079 178.629 176.600 -0.083 0.000 0.990 178 E CA 0.934 57.284 56.400 -0.084 0.000 0.821 178 E CB -0.443 29.225 29.700 -0.053 0.000 0.750 178 E HN 0.777 nan 8.360 nan 0.000 0.477 179 A N 1.790 124.549 122.820 -0.102 0.000 1.897 179 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 179 A C 2.494 180.024 177.584 -0.091 0.000 1.181 179 A CA 1.513 53.513 52.037 -0.061 0.000 0.620 179 A CB -0.650 18.326 19.000 -0.040 0.000 0.821 179 A HN 0.401 nan 8.150 nan 0.000 0.443 180 A N -0.451 122.155 122.820 -0.358 0.000 1.873 180 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 180 A C 2.106 179.539 177.584 -0.251 0.000 1.186 180 A CA 1.636 53.268 52.037 -0.676 0.000 0.616 180 A CB -0.680 17.566 19.000 -1.257 0.000 0.823 180 A HN 0.669 nan 8.150 nan 0.000 0.442 181 L N 0.352 121.452 121.223 -0.206 0.000 2.079 181 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 181 L C 2.317 179.167 176.870 -0.033 0.000 1.081 181 L CA 2.226 57.000 54.840 -0.110 0.000 0.752 181 L CB -0.974 41.023 42.059 -0.104 0.000 0.896 181 L HN 0.309 nan 8.230 nan 0.000 0.433 182 G N -1.219 107.571 108.800 -0.016 0.000 2.418 182 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 182 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 182 G C 1.562 176.503 174.900 0.069 0.000 1.158 182 G CA 0.675 45.789 45.100 0.023 0.000 0.771 182 G HN 0.612 nan 8.290 nan 0.000 0.545 183 A N 0.279 123.180 122.820 0.136 0.000 2.014 183 A HA 0.252 4.572 4.320 -0.000 0.000 0.218 183 A C 2.339 180.025 177.584 0.169 0.000 1.163 183 A CA 0.735 52.886 52.037 0.190 0.000 0.652 183 A CB -0.249 18.960 19.000 0.348 0.000 0.808 183 A HN 0.345 nan 8.150 nan 0.000 0.449 184 L N -0.738 120.578 121.223 0.156 0.000 2.217 184 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 184 L C 2.649 179.551 176.870 0.053 0.000 1.107 184 L CA 0.746 55.652 54.840 0.111 0.000 0.783 184 L CB -0.374 41.720 42.059 0.059 0.000 0.919 184 L HN 0.382 nan 8.230 nan 0.000 0.442 185 R N -0.364 120.159 120.500 0.038 0.000 2.115 185 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 185 R C 1.688 178.004 176.300 0.026 0.000 1.100 185 R CA 0.706 56.817 56.100 0.018 0.000 0.980 185 R CB -0.153 30.154 30.300 0.011 0.000 0.875 185 R HN 0.374 nan 8.270 nan 0.000 0.445 186 Q N 0.583 120.408 119.800 0.042 0.000 2.360 186 Q HA 0.108 4.448 4.340 -0.000 0.000 0.202 186 Q C 0.541 176.568 176.000 0.045 0.000 0.915 186 Q CA 0.079 55.906 55.803 0.040 0.000 0.943 186 Q CB 0.439 29.204 28.738 0.045 0.000 1.064 186 Q HN 0.041 nan 8.270 nan 0.000 0.511 187 S N 1.163 116.897 115.700 0.056 0.000 2.546 187 S HA 0.034 4.504 4.470 -0.000 0.000 0.290 187 S C 0.768 175.391 174.600 0.038 0.000 1.290 187 S CA -0.035 58.200 58.200 0.059 0.000 1.069 187 S CB 0.396 63.643 63.200 0.078 0.000 0.846 187 S HN 0.228 nan 8.310 nan 0.000 0.495 188 R N 3.126 123.648 120.500 0.036 0.000 2.468 188 R HA 0.194 4.534 4.340 -0.000 0.000 0.280 188 R C -0.383 175.931 176.300 0.023 0.000 0.963 188 R CA -0.243 55.873 56.100 0.026 0.000 1.083 188 R CB 0.329 30.645 30.300 0.026 0.000 1.200 188 R HN 0.428 nan 8.270 nan 0.000 0.541 189 V N 2.076 122.006 119.914 0.027 0.000 2.521 189 V HA -0.007 4.112 4.120 -0.000 0.000 0.286 189 V C 0.967 177.062 176.094 0.002 0.000 1.034 189 V CA 0.823 63.134 62.300 0.018 0.000 1.045 189 V CB 1.154 32.991 31.823 0.024 0.000 0.974 189 V HN 0.311 nan 8.190 nan 0.000 0.480 190 K N 1.895 122.290 120.400 -0.009 0.000 2.474 190 K HA 0.210 4.530 4.320 -0.000 0.000 0.204 190 K C 0.197 176.762 176.600 -0.058 0.000 1.220 190 K CA 0.112 56.385 56.287 -0.024 0.000 0.966 190 K CB 0.992 33.483 32.500 -0.015 0.000 1.049 190 K HN 0.648 nan 8.250 nan 0.000 0.554 191 T N 1.413 115.922 114.554 -0.075 0.000 2.861 191 T HA 0.439 4.789 4.350 -0.000 0.000 0.287 191 T C -1.023 173.557 174.700 -0.200 0.000 1.003 191 T CA -0.554 61.435 62.100 -0.185 0.000 0.977 191 T CB 2.568 71.325 68.868 -0.183 0.000 0.996 191 T HN -0.262 nan 8.240 nan 0.000 0.448 192 V N 3.040 122.773 119.914 -0.303 0.000 2.482 192 V HA 0.416 4.535 4.120 -0.000 0.000 0.295 192 V C -1.265 174.671 176.094 -0.264 0.000 1.026 192 V CA -1.072 61.121 62.300 -0.178 0.000 0.856 192 V CB 1.378 33.170 31.823 -0.052 0.000 1.001 192 V HN 0.896 nan 8.190 nan 0.000 0.424 193 W N 5.210 126.537 121.300 0.045 0.000 2.391 193 W HA 0.693 5.352 4.660 -0.000 0.000 0.311 193 W C -0.120 176.418 176.519 0.031 0.000 1.087 193 W CA -0.520 56.842 57.345 0.028 0.000 1.209 193 W CB 1.430 30.889 29.460 -0.001 0.000 1.273 193 W HN 0.396 nan 8.180 nan 0.000 0.482 194 I N 5.092 125.840 120.570 0.296 0.000 2.337 194 I HA 0.212 4.381 4.170 -0.000 0.000 0.285 194 I C -0.435 175.746 176.117 0.106 0.000 1.041 194 I CA -0.842 60.571 61.300 0.188 0.000 1.199 194 I CB 0.324 38.442 38.000 0.196 0.000 1.370 194 I HN -0.017 nan 8.210 nan 0.000 0.470 195 V N 5.052 125.013 119.914 0.079 0.000 2.427 195 V HA 0.715 4.834 4.120 -0.000 0.000 0.286 195 V C 0.675 176.772 176.094 0.005 0.000 1.034 195 V CA -0.446 61.851 62.300 -0.004 0.000 0.893 195 V CB 1.398 33.224 31.823 0.004 0.000 0.982 195 V HN 0.828 nan 8.190 nan 0.000 0.452 196 G N 3.003 111.781 108.800 -0.036 0.000 2.481 196 G HA2 0.530 4.490 3.960 -0.000 0.000 0.315 196 G HA3 0.530 4.490 3.960 -0.000 0.000 0.315 196 G C 0.252 175.162 174.900 0.016 0.000 1.231 196 G CA -0.794 44.320 45.100 0.023 0.000 0.968 196 G HN 0.643 nan 8.290 nan 0.000 0.482 197 R N -0.254 120.264 120.500 0.031 0.000 2.115 197 R HA 0.068 4.408 4.340 -0.000 0.000 0.226 197 R C 1.418 177.745 176.300 0.045 0.000 1.100 197 R CA 0.775 56.900 56.100 0.043 0.000 0.980 197 R CB 0.091 30.416 30.300 0.043 0.000 0.875 197 R HN 0.419 nan 8.270 nan 0.000 0.445 198 R N -0.668 119.828 120.500 -0.007 0.000 3.139 198 R HA 0.406 4.746 4.340 -0.000 0.000 0.218 198 R C 0.456 176.501 176.300 -0.425 0.000 1.637 198 R CA -0.500 55.556 56.100 -0.073 0.000 0.971 198 R CB 0.199 30.490 30.300 -0.016 0.000 2.211 198 R HN 0.092 nan 8.270 nan 0.000 0.535 199 G N -0.101 108.422 108.800 -0.461 0.000 2.753 199 G HA2 0.286 4.246 3.960 -0.000 0.000 0.285 199 G HA3 0.286 4.246 3.960 -0.000 0.000 0.285 199 G C -2.124 172.265 174.900 -0.851 0.000 1.344 199 G CA -1.222 43.349 45.100 -0.881 0.000 1.050 199 G HN 0.179 nan 8.290 nan 0.000 0.532 200 P HA -0.082 nan 4.420 nan 0.000 0.216 200 P C 1.878 178.957 177.300 -0.368 0.000 1.153 200 P CA 0.929 63.462 63.100 -0.946 0.000 0.858 200 P CB 0.110 31.197 31.700 -1.022 0.000 0.789 201 L N -1.766 119.285 121.223 -0.287 0.000 2.551 201 L HA -0.103 4.237 4.340 -0.000 0.000 0.228 201 L C 1.664 178.453 176.870 -0.135 0.000 1.153 201 L CA 1.100 55.851 54.840 -0.149 0.000 0.851 201 L CB -0.529 41.470 42.059 -0.100 0.000 0.959 201 L HN -0.051 nan 8.230 nan 0.000 0.451 202 Q N -1.044 118.657 119.800 -0.166 0.000 2.247 202 Q HA 0.089 4.429 4.340 -0.000 0.000 0.211 202 Q C 0.267 176.185 176.000 -0.137 0.000 0.861 202 Q CA -0.091 55.640 55.803 -0.120 0.000 0.949 202 Q CB 0.564 29.249 28.738 -0.088 0.000 1.115 202 Q HN 0.331 nan 8.270 nan 0.000 0.507 203 V N -1.248 118.542 119.914 -0.206 0.000 2.694 203 V HA 0.210 4.330 4.120 -0.000 0.000 0.306 203 V C 0.955 176.813 176.094 -0.393 0.000 1.054 203 V CA 0.538 62.620 62.300 -0.362 0.000 1.161 203 V CB 0.851 32.207 31.823 -0.779 0.000 0.916 203 V HN 0.182 nan 8.190 nan 0.000 0.490 204 A N 4.274 126.917 122.820 -0.296 0.000 2.220 204 A HA 0.420 4.740 4.320 -0.000 0.000 0.211 204 A C 0.751 178.298 177.584 -0.062 0.000 1.176 204 A CA -0.007 51.948 52.037 -0.136 0.000 0.834 204 A CB -0.457 18.530 19.000 -0.022 0.000 0.868 204 A HN 1.135 nan 8.150 nan 0.000 0.488 205 F N 0.800 120.804 119.950 0.090 0.000 2.440 205 F HA 0.549 5.075 4.527 -0.000 0.000 0.323 205 F C 0.634 176.478 175.800 0.074 0.000 1.192 205 F CA -0.619 57.431 58.000 0.083 0.000 1.252 205 F CB -0.529 38.523 39.000 0.087 0.000 1.214 205 F HN 0.010 nan 8.300 nan 0.000 0.578 206 T N -0.491 114.287 114.554 0.373 0.000 2.936 206 T HA 0.371 4.720 4.350 -0.000 0.000 0.282 206 T C 1.001 175.852 174.700 0.251 0.000 1.003 206 T CA -0.589 61.656 62.100 0.241 0.000 1.005 206 T CB 1.484 70.435 68.868 0.138 0.000 1.097 206 T HN 0.886 nan 8.240 nan 0.000 0.532 207 I N 0.426 121.098 120.570 0.170 0.000 2.286 207 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 207 I C 2.645 178.804 176.117 0.070 0.000 1.115 207 I CA 1.479 62.859 61.300 0.133 0.000 1.392 207 I CB -0.219 37.840 38.000 0.098 0.000 1.065 207 I HN 0.839 nan 8.210 nan 0.000 0.418 208 K N 0.612 121.038 120.400 0.043 0.000 2.026 208 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 208 K C 1.917 178.510 176.600 -0.011 0.000 1.048 208 K CA 1.989 58.277 56.287 0.002 0.000 0.929 208 K CB -0.045 32.437 32.500 -0.030 0.000 0.713 208 K HN 0.233 nan 8.250 nan 0.000 0.439 209 E N 0.910 121.112 120.200 0.003 0.000 2.077 209 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 209 E C 1.768 178.277 176.600 -0.150 0.000 0.989 209 E CA 0.901 57.285 56.400 -0.026 0.000 0.800 209 E CB -0.241 29.471 29.700 0.020 0.000 0.746 209 E HN 0.249 nan 8.360 nan 0.000 0.452 210 L N 0.762 121.894 121.223 -0.151 0.000 2.046 210 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 210 L C 2.229 179.005 176.870 -0.156 0.000 1.077 210 L CA 1.829 56.514 54.840 -0.257 0.000 0.747 210 L CB -0.277 41.734 42.059 -0.081 0.000 0.896 210 L HN -0.027 nan 8.230 nan 0.000 0.432 211 R N -0.466 120.000 120.500 -0.058 0.000 2.096 211 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 211 R C 2.093 178.358 176.300 -0.058 0.000 1.127 211 R CA 1.782 57.867 56.100 -0.026 0.000 0.968 211 R CB -0.133 30.166 30.300 -0.001 0.000 0.861 211 R HN 0.578 nan 8.270 nan 0.000 0.440 212 E N -0.353 119.795 120.200 -0.088 0.000 2.152 212 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 212 E C 1.822 178.312 176.600 -0.184 0.000 0.983 212 E CA 1.027 57.373 56.400 -0.090 0.000 0.818 212 E CB -0.040 29.635 29.700 -0.041 0.000 0.758 212 E HN 0.189 nan 8.360 nan 0.000 0.467 213 M N 0.590 119.983 119.600 -0.345 0.000 2.156 213 M HA -0.036 4.443 4.480 -0.000 0.000 0.264 213 M C 1.913 177.929 176.300 -0.474 0.000 1.067 213 M CA 1.260 56.145 55.300 -0.691 0.000 1.131 213 M CB 0.049 31.916 32.600 -1.221 0.000 1.368 213 M HN 0.034 nan 8.290 nan 0.000 0.416 214 I N -0.626 119.868 120.570 -0.126 0.000 2.394 214 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 214 I C 1.483 177.683 176.117 0.138 0.000 1.136 214 I CA 1.204 62.637 61.300 0.221 0.000 1.425 214 I CB -0.346 37.762 38.000 0.181 0.000 1.079 214 I HN 0.380 nan 8.210 nan 0.000 0.425 215 Q N 0.316 120.136 119.800 0.034 0.000 2.280 215 Q HA 0.137 4.477 4.340 -0.000 0.000 0.201 215 Q C 0.108 176.119 176.000 0.017 0.000 0.890 215 Q CA -0.341 55.481 55.803 0.031 0.000 0.947 215 Q CB 0.510 29.256 28.738 0.014 0.000 1.081 215 Q HN 0.259 nan 8.270 nan 0.000 0.502 216 L N 3.131 124.347 121.223 -0.012 0.000 2.562 216 L HA 0.127 4.467 4.340 -0.000 0.000 0.271 216 L C -2.361 174.524 176.870 0.025 0.000 1.167 216 L CA -1.625 53.202 54.840 -0.023 0.000 0.917 216 L CB 0.257 42.254 42.059 -0.104 0.000 1.187 216 L HN -0.120 nan 8.230 nan 0.000 0.482 217 P HA 0.165 nan 4.420 nan 0.000 0.262 217 P C 0.617 177.927 177.300 0.018 0.000 1.182 217 P CA 0.957 64.090 63.100 0.054 0.000 0.761 217 P CB 0.561 32.340 31.700 0.131 0.000 0.795 218 G N 1.539 110.353 108.800 0.022 0.000 2.179 218 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 218 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 218 G C 0.272 175.181 174.900 0.016 0.000 0.977 218 G CA 0.418 45.522 45.100 0.006 0.000 0.641 218 G HN 0.845 nan 8.290 nan 0.000 0.533 219 T N -2.253 112.329 114.554 0.047 0.000 2.932 219 T HA 0.787 5.137 4.350 -0.000 0.000 0.289 219 T C -0.241 174.516 174.700 0.095 0.000 1.039 219 T CA -0.149 62.005 62.100 0.089 0.000 1.024 219 T CB 2.244 71.223 68.868 0.185 0.000 1.090 219 T HN 1.108 nan 8.240 nan 0.000 0.496 220 R N 0.727 121.253 120.500 0.043 0.000 2.686 220 R HA 0.698 5.038 4.340 -0.000 0.000 0.286 220 R C -3.136 173.017 176.300 -0.244 0.000 0.969 220 R CA -2.148 53.928 56.100 -0.041 0.000 0.898 220 R CB 1.920 32.180 30.300 -0.068 0.000 1.183 220 R HN 0.421 nan 8.270 nan 0.000 0.456 221 P HA 0.232 nan 4.420 nan 0.000 0.288 221 P C -0.818 176.104 177.300 -0.630 0.000 1.267 221 P CA -0.588 61.960 63.100 -0.921 0.000 0.815 221 P CB 1.307 32.628 31.700 -0.631 0.000 0.989 222 M N 3.524 122.685 119.600 -0.732 0.000 2.158 222 M HA 0.342 4.822 4.480 -0.000 0.000 0.326 222 M C -0.557 175.651 176.300 -0.153 0.000 1.014 222 M CA -0.207 54.900 55.300 -0.321 0.000 0.961 222 M CB 0.510 32.957 32.600 -0.256 0.000 1.327 222 M HN 0.150 nan 8.290 nan 0.000 0.393 223 L N 1.372 122.536 121.223 -0.098 0.000 2.307 223 L HA 0.472 4.812 4.340 -0.000 0.000 0.284 223 L C 0.000 176.971 176.870 0.167 0.000 1.023 223 L CA -0.788 54.099 54.840 0.079 0.000 0.810 223 L CB 1.547 43.611 42.059 0.009 0.000 1.231 223 L HN 0.395 nan 8.230 nan 0.000 0.423 224 D N 5.419 126.003 120.400 0.307 0.000 2.339 224 D HA 0.136 4.776 4.640 -0.000 0.000 0.241 224 D C -1.483 175.038 176.300 0.370 0.000 1.183 224 D CA -1.866 52.298 54.000 0.274 0.000 0.859 224 D CB 1.770 42.721 40.800 0.252 0.000 1.067 224 D HN 0.262 nan 8.370 nan 0.000 0.484 225 P HA -0.146 nan 4.420 nan 0.000 0.219 225 P C 0.979 178.448 177.300 0.282 0.000 1.146 225 P CA 0.701 63.947 63.100 0.242 0.000 0.808 225 P CB 0.253 32.024 31.700 0.117 0.000 0.779 226 A N 0.341 123.290 122.820 0.216 0.000 2.067 226 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 226 A C 1.949 179.631 177.584 0.164 0.000 1.158 226 A CA 1.519 53.651 52.037 0.160 0.000 0.661 226 A CB -1.010 18.058 19.000 0.114 0.000 0.801 226 A HN 0.072 nan 8.150 nan 0.000 0.452 227 D N -0.841 119.688 120.400 0.215 0.000 2.224 227 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 227 D C 0.358 176.496 176.300 -0.270 0.000 0.965 227 D CA 0.941 54.952 54.000 0.017 0.000 0.852 227 D CB -0.179 40.594 40.800 -0.046 0.000 0.947 227 D HN 0.538 nan 8.370 nan 0.000 0.494 228 F N 0.532 120.523 119.950 0.069 0.000 2.668 228 F HA 0.260 4.787 4.527 -0.000 0.000 0.297 228 F C 0.742 176.561 175.800 0.030 0.000 1.124 228 F CA -0.330 57.690 58.000 0.032 0.000 1.353 228 F CB -0.199 38.826 39.000 0.041 0.000 0.992 228 F HN -0.277 nan 8.300 nan 0.000 0.524 229 L N 0.443 121.749 121.223 0.138 0.000 2.367 229 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 229 L C 1.297 178.198 176.870 0.052 0.000 1.129 229 L CA -0.135 54.760 54.840 0.092 0.000 0.839 229 L CB 0.530 42.628 42.059 0.066 0.000 1.133 229 L HN 0.461 nan 8.230 nan 0.000 0.453 230 G N 3.625 112.454 108.800 0.048 0.000 2.273 230 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 230 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 230 G C 0.426 175.342 174.900 0.026 0.000 1.047 230 G CA 0.245 45.362 45.100 0.029 0.000 0.869 230 G HN 0.608 nan 8.290 nan 0.000 0.502 231 L N -1.420 119.831 121.223 0.046 0.000 2.817 231 L HA 0.180 4.520 4.340 -0.000 0.000 0.248 231 L C 2.453 179.352 176.870 0.048 0.000 1.133 231 L CA 0.610 55.474 54.840 0.039 0.000 0.935 231 L CB 0.130 42.219 42.059 0.050 0.000 1.266 231 L HN 0.313 nan 8.230 nan 0.000 0.535 232 Q N 1.589 121.421 119.800 0.054 0.000 2.029 232 Q HA -0.272 4.067 4.340 -0.000 0.000 0.209 232 Q C 1.409 177.429 176.000 0.033 0.000 0.999 232 Q CA 2.603 58.434 55.803 0.047 0.000 0.857 232 Q CB -0.083 28.680 28.738 0.041 0.000 0.926 232 Q HN 0.379 nan 8.270 nan 0.000 0.415 233 D N -0.809 119.606 120.400 0.025 0.000 2.092 233 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 233 D C 1.940 178.250 176.300 0.016 0.000 0.994 233 D CA 1.415 55.426 54.000 0.018 0.000 0.828 233 D CB -0.157 40.651 40.800 0.013 0.000 0.963 233 D HN 0.239 nan 8.370 nan 0.000 0.450 234 R N -0.064 120.445 120.500 0.014 0.000 2.152 234 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 234 R C 2.195 178.504 176.300 0.014 0.000 1.117 234 R CA 0.607 56.713 56.100 0.010 0.000 0.981 234 R CB -0.176 30.126 30.300 0.003 0.000 0.870 234 R HN 0.309 nan 8.270 nan 0.000 0.451 235 I N 0.652 121.236 120.570 0.024 0.000 2.617 235 I HA -0.179 3.990 4.170 -0.000 0.000 0.256 235 I C 1.568 177.702 176.117 0.027 0.000 1.167 235 I CA 0.878 62.197 61.300 0.031 0.000 1.469 235 I CB -0.038 37.991 38.000 0.049 0.000 1.098 235 I HN -0.031 nan 8.210 nan 0.000 0.436 236 K N 1.027 121.441 120.400 0.024 0.000 2.486 236 K HA -0.015 4.305 4.320 -0.000 0.000 0.194 236 K C 1.035 177.644 176.600 0.016 0.000 1.033 236 K CA 0.757 57.056 56.287 0.020 0.000 1.004 236 K CB -0.050 32.461 32.500 0.019 0.000 0.798 236 K HN 0.476 nan 8.250 nan 0.000 0.495 237 E N 0.206 120.414 120.200 0.014 0.000 2.526 237 E HA 0.169 4.519 4.350 -0.000 0.000 0.208 237 E C -0.008 176.598 176.600 0.009 0.000 0.997 237 E CA -0.281 56.125 56.400 0.010 0.000 0.961 237 E CB 0.765 30.469 29.700 0.007 0.000 1.030 237 E HN 0.106 nan 8.360 nan 0.000 0.483 238 A N 1.689 124.516 122.820 0.011 0.000 2.386 238 A HA 0.544 4.864 4.320 -0.000 0.000 0.248 238 A C 0.598 178.188 177.584 0.010 0.000 1.082 238 A CA -0.044 51.998 52.037 0.009 0.000 0.789 238 A CB 0.293 19.300 19.000 0.012 0.000 1.025 238 A HN 0.234 nan 8.150 nan 0.000 0.490 239 A N 0.848 123.673 122.820 0.008 0.000 2.409 239 A HA 0.266 4.586 4.320 -0.000 0.000 0.246 239 A C 1.623 179.215 177.584 0.013 0.000 1.099 239 A CA 0.573 52.615 52.037 0.009 0.000 0.789 239 A CB -0.103 18.901 19.000 0.006 0.000 1.053 239 A HN 1.046 nan 8.150 nan 0.000 0.503 240 R N -0.001 120.508 120.500 0.013 0.000 2.096 240 R HA -0.133 4.207 4.340 -0.000 0.000 0.240 240 R C -0.842 175.471 176.300 0.021 0.000 1.139 240 R CA 2.264 58.374 56.100 0.017 0.000 0.952 240 R CB -1.360 28.949 30.300 0.015 0.000 0.854 240 R HN 0.643 nan 8.270 nan 0.000 0.436 241 P HA -0.125 nan 4.420 nan 0.000 0.215 241 P C 0.765 178.082 177.300 0.029 0.000 1.157 241 P CA 1.145 64.259 63.100 0.024 0.000 0.863 241 P CB -0.009 31.703 31.700 0.020 0.000 0.787 242 R N 0.558 121.071 120.500 0.021 0.000 2.070 242 R HA -0.106 4.234 4.340 -0.000 0.000 0.227 242 R C 2.241 178.561 176.300 0.033 0.000 1.147 242 R CA 1.944 58.056 56.100 0.020 0.000 0.924 242 R CB -1.222 29.082 30.300 0.007 0.000 0.827 242 R HN -0.066 nan 8.270 nan 0.000 0.431 243 K N 0.038 120.455 120.400 0.029 0.000 2.044 243 K HA -0.345 3.974 4.320 -0.000 0.000 0.224 243 K C 2.216 178.844 176.600 0.046 0.000 1.056 243 K CA 2.633 58.941 56.287 0.035 0.000 0.962 243 K CB -0.350 32.166 32.500 0.028 0.000 0.730 243 K HN 0.124 nan 8.250 nan 0.000 0.453 244 R N 0.171 120.698 120.500 0.044 0.000 2.105 244 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 244 R C 2.433 178.775 176.300 0.070 0.000 1.135 244 R CA 1.574 57.704 56.100 0.050 0.000 0.967 244 R CB -0.312 30.014 30.300 0.043 0.000 0.861 244 R HN 0.378 nan 8.270 nan 0.000 0.442 245 L N -0.192 121.081 121.223 0.083 0.000 2.023 245 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 245 L C 1.898 178.855 176.870 0.144 0.000 1.073 245 L CA 1.708 56.622 54.840 0.125 0.000 0.745 245 L CB -0.311 41.824 42.059 0.126 0.000 0.900 245 L HN 0.180 nan 8.230 nan 0.000 0.435 246 M N -0.422 119.247 119.600 0.114 0.000 2.159 246 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 246 M C 2.149 178.522 176.300 0.122 0.000 1.063 246 M CA 1.526 56.904 55.300 0.130 0.000 1.110 246 M CB -1.327 31.327 32.600 0.090 0.000 1.374 246 M HN 0.387 nan 8.290 nan 0.000 0.411 247 E N 0.087 120.339 120.200 0.087 0.000 2.077 247 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 247 E C 2.038 178.673 176.600 0.058 0.000 0.989 247 E CA 0.995 57.434 56.400 0.064 0.000 0.800 247 E CB -0.314 29.416 29.700 0.050 0.000 0.746 247 E HN 0.276 nan 8.360 nan 0.000 0.452 248 L N 0.883 122.151 121.223 0.076 0.000 2.056 248 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 248 L C 2.183 179.098 176.870 0.074 0.000 1.078 248 L CA 1.261 56.145 54.840 0.073 0.000 0.749 248 L CB -0.358 41.757 42.059 0.093 0.000 0.901 248 L HN 0.097 nan 8.230 nan 0.000 0.433 249 L N -0.951 120.348 121.223 0.127 0.000 2.056 249 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 249 L C 2.299 179.094 176.870 -0.123 0.000 1.078 249 L CA 1.627 56.547 54.840 0.134 0.000 0.749 249 L CB -0.809 41.461 42.059 0.351 0.000 0.901 249 L HN 0.359 nan 8.230 nan 0.000 0.433 250 L N -0.406 120.781 121.223 -0.060 0.000 2.046 250 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 250 L C 2.633 179.389 176.870 -0.190 0.000 1.077 250 L CA 1.751 56.490 54.840 -0.169 0.000 0.747 250 L CB -0.806 41.285 42.059 0.055 0.000 0.896 250 L HN 0.419 nan 8.230 nan 0.000 0.432 251 R N -0.732 119.718 120.500 -0.084 0.000 2.070 251 R HA -0.162 4.178 4.340 -0.000 0.000 0.233 251 R C 2.066 178.313 176.300 -0.088 0.000 1.137 251 R CA 2.277 58.342 56.100 -0.059 0.000 0.945 251 R CB -0.285 30.006 30.300 -0.015 0.000 0.845 251 R HN 0.374 nan 8.270 nan 0.000 0.430 252 T N 0.279 114.781 114.554 -0.087 0.000 2.803 252 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 252 T C 1.586 176.197 174.700 -0.149 0.000 1.052 252 T CA 1.347 63.400 62.100 -0.078 0.000 1.136 252 T CB -0.100 68.759 68.868 -0.015 0.000 0.864 252 T HN 0.420 nan 8.240 nan 0.000 0.467 253 A N 1.140 123.779 122.820 -0.302 0.000 2.081 253 A HA 0.097 4.417 4.320 -0.000 0.000 0.214 253 A C 2.369 179.824 177.584 -0.215 0.000 1.158 253 A CA 1.341 53.156 52.037 -0.369 0.000 0.724 253 A CB -0.301 18.108 19.000 -0.985 0.000 0.826 253 A HN 0.565 nan 8.150 nan 0.000 0.463 254 T N -3.622 110.827 114.554 -0.176 0.000 3.003 254 T HA 0.247 4.597 4.350 -0.000 0.000 0.261 254 T C 0.342 175.019 174.700 -0.038 0.000 1.003 254 T CA -0.030 62.029 62.100 -0.068 0.000 0.917 254 T CB 0.012 68.857 68.868 -0.038 0.000 1.084 254 T HN 0.345 nan 8.240 nan 0.000 0.522 255 E N 2.006 122.177 120.200 -0.048 0.000 2.227 255 E HA 0.256 4.606 4.350 -0.000 0.000 0.282 255 E C -0.360 176.228 176.600 -0.020 0.000 1.015 255 E CA -0.652 55.733 56.400 -0.026 0.000 0.823 255 E CB 0.881 30.567 29.700 -0.023 0.000 1.081 255 E HN 0.267 nan 8.360 nan 0.000 0.396 256 K N 6.329 126.723 120.400 -0.010 0.000 2.402 256 K HA 0.114 4.433 4.320 -0.000 0.000 0.285 256 K C -1.998 174.598 176.600 -0.007 0.000 1.054 256 K CA -1.246 55.037 56.287 -0.007 0.000 1.001 256 K CB 0.366 32.865 32.500 -0.001 0.000 0.946 256 K HN 0.313 nan 8.250 nan 0.000 0.473 257 P HA 0.031 nan 4.420 nan 0.000 0.268 257 P C 0.054 177.352 177.300 -0.002 0.000 1.205 257 P CA -0.281 62.815 63.100 -0.007 0.000 0.771 257 P CB 0.845 32.539 31.700 -0.010 0.000 0.858 258 G N 1.032 109.832 108.800 -0.000 0.000 2.651 258 G HA2 0.196 4.156 3.960 -0.000 0.000 0.260 258 G HA3 0.196 4.156 3.960 -0.000 0.000 0.260 258 G C 1.227 176.128 174.900 0.002 0.000 1.216 258 G CA -0.652 44.449 45.100 0.002 0.000 0.913 258 G HN 0.279 nan 8.290 nan 0.000 0.535 259 V N 0.520 120.435 119.914 0.002 0.000 2.392 259 V HA -0.189 3.931 4.120 -0.000 0.000 0.249 259 V C 2.760 178.856 176.094 0.003 0.000 1.059 259 V CA 2.593 64.895 62.300 0.002 0.000 1.051 259 V CB -0.781 31.044 31.823 0.003 0.000 0.658 259 V HN 0.753 nan 8.190 nan 0.000 0.455 260 E N 0.610 120.812 120.200 0.004 0.000 2.031 260 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 260 E C 2.110 178.714 176.600 0.006 0.000 0.994 260 E CA 1.472 57.876 56.400 0.005 0.000 0.800 260 E CB -0.452 29.251 29.700 0.006 0.000 0.752 260 E HN 0.656 nan 8.360 nan 0.000 0.447 261 E N 0.953 121.157 120.200 0.006 0.000 2.047 261 E HA -0.097 4.252 4.350 -0.000 0.000 0.191 261 E C 1.964 178.566 176.600 0.003 0.000 0.987 261 E CA 1.471 57.875 56.400 0.007 0.000 0.799 261 E CB -0.527 29.177 29.700 0.006 0.000 0.752 261 E HN 0.211 nan 8.360 nan 0.000 0.449 262 A N 1.018 123.838 122.820 0.000 0.000 1.917 262 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 262 A C 2.480 180.064 177.584 -0.001 0.000 1.182 262 A CA 2.569 54.605 52.037 -0.002 0.000 0.633 262 A CB -1.236 17.763 19.000 -0.002 0.000 0.819 262 A HN 0.424 nan 8.150 nan 0.000 0.448 263 A N -0.633 122.187 122.820 0.001 0.000 1.877 263 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 263 A C 2.277 179.863 177.584 0.003 0.000 1.186 263 A CA 1.775 53.813 52.037 0.002 0.000 0.620 263 A CB -0.552 18.450 19.000 0.004 0.000 0.822 263 A HN 0.546 nan 8.150 nan 0.000 0.443 264 R N -0.462 120.042 120.500 0.006 0.000 2.091 264 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 264 R C 2.433 178.737 176.300 0.006 0.000 1.136 264 R CA 1.698 57.803 56.100 0.009 0.000 0.959 264 R CB -0.233 30.075 30.300 0.014 0.000 0.856 264 R HN 0.544 nan 8.270 nan 0.000 0.437 265 R N -0.412 120.089 120.500 0.001 0.000 2.075 265 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 265 R C 2.272 178.566 176.300 -0.010 0.000 1.126 265 R CA 1.277 57.372 56.100 -0.007 0.000 0.963 265 R CB -0.279 30.011 30.300 -0.017 0.000 0.858 265 R HN 0.234 nan 8.270 nan 0.000 0.435 266 A N 0.294 123.110 122.820 -0.006 0.000 2.015 266 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 266 A C 1.928 179.510 177.584 -0.003 0.000 1.163 266 A CA 1.378 53.412 52.037 -0.005 0.000 0.646 266 A CB -0.061 18.937 19.000 -0.002 0.000 0.806 266 A HN 0.176 nan 8.150 nan 0.000 0.448 267 S N -0.588 115.112 115.700 -0.001 0.000 2.575 267 S HA 0.425 4.895 4.470 -0.000 0.000 0.215 267 S C 0.882 175.482 174.600 -0.000 0.000 0.966 267 S CA 0.200 58.400 58.200 0.001 0.000 0.911 267 S CB -0.105 63.097 63.200 0.003 0.000 0.780 267 S HN 0.693 nan 8.310 nan 0.000 0.514 268 A N 2.039 124.857 122.820 -0.002 0.000 2.491 268 A HA 0.339 4.659 4.320 -0.000 0.000 0.261 268 A C 1.233 178.812 177.584 -0.009 0.000 1.101 268 A CA -0.128 51.908 52.037 -0.002 0.000 0.772 268 A CB 0.134 19.133 19.000 -0.002 0.000 1.043 268 A HN 0.395 nan 8.150 nan 0.000 0.501 269 S N 2.490 118.185 115.700 -0.009 0.000 2.528 269 S HA 0.154 4.623 4.470 -0.000 0.000 0.219 269 S C 0.755 175.344 174.600 -0.017 0.000 0.985 269 S CA 0.079 58.272 58.200 -0.012 0.000 0.914 269 S CB 0.102 63.295 63.200 -0.012 0.000 0.776 269 S HN 0.718 nan 8.310 nan 0.000 0.526 270 R N 0.230 120.721 120.500 -0.016 0.000 2.795 270 R HA 0.808 5.148 4.340 -0.000 0.000 0.275 270 R C -1.404 174.882 176.300 -0.023 0.000 0.981 270 R CA -0.388 55.699 56.100 -0.021 0.000 0.917 270 R CB 2.258 32.550 30.300 -0.013 0.000 1.202 270 R HN 0.261 nan 8.270 nan 0.000 0.469 271 A N 2.374 125.156 122.820 -0.063 0.000 2.486 271 A HA 0.678 4.998 4.320 -0.000 0.000 0.300 271 A C -1.777 175.709 177.584 -0.163 0.000 1.048 271 A CA -0.762 51.198 52.037 -0.128 0.000 0.696 271 A CB 1.376 20.245 19.000 -0.218 0.000 1.278 271 A HN 0.739 nan 8.150 nan 0.000 0.405 272 W N 1.537 122.654 121.300 -0.304 0.000 2.844 272 W HA 0.809 5.469 4.660 -0.000 0.000 0.340 272 W C -0.398 175.887 176.519 -0.389 0.000 1.093 272 W CA -0.892 56.243 57.345 -0.351 0.000 1.212 272 W CB 1.314 30.648 29.460 -0.210 0.000 1.422 272 W HN 1.198 nan 8.180 nan 0.000 0.515 273 G N 1.678 110.215 108.800 -0.438 0.000 2.690 273 G HA2 0.611 4.571 3.960 -0.000 0.000 0.291 273 G HA3 0.611 4.571 3.960 -0.000 0.000 0.291 273 G C -2.641 172.347 174.900 0.147 0.000 1.403 273 G CA -1.050 43.820 45.100 -0.384 0.000 0.864 273 G HN 0.326 nan 8.290 nan 0.000 0.480 274 L N 1.103 122.417 121.223 0.152 0.000 2.313 274 L HA 0.653 4.993 4.340 -0.000 0.000 0.283 274 L C -0.219 176.516 176.870 -0.225 0.000 1.013 274 L CA -0.972 53.866 54.840 -0.004 0.000 0.816 274 L CB 1.631 43.672 42.059 -0.030 0.000 1.236 274 L HN 0.346 nan 8.230 nan 0.000 0.419 275 R N 3.351 123.650 120.500 -0.336 0.000 2.387 275 R HA 0.595 4.935 4.340 -0.000 0.000 0.314 275 R C -1.053 174.906 176.300 -0.568 0.000 0.958 275 R CA -0.488 55.400 56.100 -0.353 0.000 0.846 275 R CB 1.392 31.567 30.300 -0.209 0.000 1.147 275 R HN 0.250 nan 8.270 nan 0.000 0.447 276 F N 1.498 121.383 119.950 -0.108 0.000 2.557 276 F HA 0.415 4.942 4.527 -0.000 0.000 0.336 276 F C 0.600 176.235 175.800 -0.275 0.000 1.058 276 F CA -1.231 56.544 58.000 -0.374 0.000 0.988 276 F CB 0.492 39.036 39.000 -0.760 0.000 1.275 276 F HN 0.404 nan 8.300 nan 0.000 0.488 277 F N 0.331 120.398 119.950 0.195 0.000 3.074 277 F HA -0.220 4.307 4.527 -0.000 0.000 0.287 277 F C 0.001 175.826 175.800 0.042 0.000 0.932 277 F CA -0.063 57.987 58.000 0.083 0.000 0.995 277 F CB -1.531 37.502 39.000 0.055 0.000 0.966 277 F HN 0.257 nan 8.300 nan 0.000 0.721 278 R N 0.430 120.995 120.500 0.109 0.000 2.515 278 R HA 0.614 4.954 4.340 -0.000 0.000 0.291 278 R C -0.357 175.966 176.300 0.038 0.000 1.046 278 R CA -0.404 55.732 56.100 0.060 0.000 0.914 278 R CB 2.035 32.342 30.300 0.012 0.000 1.191 278 R HN 0.171 nan 8.270 nan 0.000 0.435 279 S N 2.094 117.816 115.700 0.037 0.000 2.472 279 S HA 0.630 5.100 4.470 -0.000 0.000 0.303 279 S C -2.394 172.216 174.600 0.015 0.000 1.099 279 S CA -1.690 56.526 58.200 0.028 0.000 1.077 279 S CB 2.175 65.393 63.200 0.030 0.000 1.031 279 S HN 0.307 nan 8.310 nan 0.000 0.487 280 P HA 0.071 nan 4.420 nan 0.000 0.267 280 P C -0.407 176.893 177.300 -0.000 0.000 1.209 280 P CA 0.178 63.281 63.100 0.005 0.000 0.763 280 P CB 0.983 32.689 31.700 0.009 0.000 0.816 281 Q N 2.801 122.599 119.800 -0.004 0.000 2.471 281 Q HA 0.104 4.444 4.340 -0.000 0.000 0.241 281 Q C 0.216 176.209 176.000 -0.011 0.000 0.886 281 Q CA 0.274 56.072 55.803 -0.007 0.000 0.953 281 Q CB 0.867 29.601 28.738 -0.006 0.000 1.108 281 Q HN 0.565 nan 8.270 nan 0.000 0.575 282 Q N 0.152 119.944 119.800 -0.012 0.000 2.541 282 Q HA 0.275 4.615 4.340 -0.000 0.000 0.259 282 Q C -1.926 174.064 176.000 -0.016 0.000 0.974 282 Q CA -0.404 55.389 55.803 -0.016 0.000 0.955 282 Q CB 2.109 30.838 28.738 -0.015 0.000 1.517 282 Q HN 0.103 nan 8.270 nan 0.000 0.412 283 V N 4.805 124.707 119.914 -0.020 0.000 2.432 283 V HA 0.293 4.413 4.120 -0.000 0.000 0.271 283 V C 0.162 176.244 176.094 -0.021 0.000 1.046 283 V CA -0.245 62.042 62.300 -0.021 0.000 0.945 283 V CB 0.863 32.668 31.823 -0.031 0.000 0.992 283 V HN 0.627 nan 8.190 nan 0.000 0.471 284 L N 8.735 129.948 121.223 -0.017 0.000 2.290 284 L HA 0.426 4.766 4.340 -0.000 0.000 0.284 284 L C -2.034 174.827 176.870 -0.015 0.000 1.078 284 L CA -1.542 53.290 54.840 -0.015 0.000 0.815 284 L CB 1.365 43.417 42.059 -0.011 0.000 1.162 284 L HN 0.430 nan 8.230 nan 0.000 0.435 285 P HA 0.164 nan 4.420 nan 0.000 0.281 285 P C -0.582 176.712 177.300 -0.010 0.000 1.249 285 P CA -0.531 62.559 63.100 -0.016 0.000 0.810 285 P CB 1.543 33.232 31.700 -0.017 0.000 1.008 286 S N 1.683 117.378 115.700 -0.008 0.000 2.608 286 S HA 0.213 4.683 4.470 -0.000 0.000 0.261 286 S C -1.585 173.013 174.600 -0.003 0.000 1.314 286 S CA -0.846 57.352 58.200 -0.003 0.000 0.992 286 S CB -0.746 62.454 63.200 -0.001 0.000 0.935 286 S HN 0.279 nan 8.310 nan 0.000 0.564 287 P HA -0.189 nan 4.420 nan 0.000 0.216 287 P C 0.788 178.087 177.300 -0.002 0.000 1.157 287 P CA 1.919 65.018 63.100 -0.001 0.000 0.880 287 P CB -0.292 31.409 31.700 0.001 0.000 0.791 288 D N -2.379 118.020 120.400 -0.001 0.000 2.348 288 D HA 0.044 4.684 4.640 -0.000 0.000 0.216 288 D C 1.374 177.671 176.300 -0.004 0.000 0.970 288 D CA 0.890 54.889 54.000 -0.002 0.000 0.889 288 D CB -1.156 39.644 40.800 -0.000 0.000 0.912 288 D HN 0.224 nan 8.370 nan 0.000 0.524 289 G N 0.498 109.294 108.800 -0.006 0.000 2.166 289 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.260 289 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.260 289 G C 1.116 176.008 174.900 -0.013 0.000 0.986 289 G CA 0.435 45.529 45.100 -0.010 0.000 0.683 289 G HN 0.444 nan 8.290 nan 0.000 0.527 290 R N -0.285 120.208 120.500 -0.010 0.000 2.246 290 R HA 0.171 4.511 4.340 -0.000 0.000 0.199 290 R C 1.499 177.789 176.300 -0.017 0.000 0.984 290 R CA 1.228 57.322 56.100 -0.011 0.000 1.015 290 R CB 0.147 30.445 30.300 -0.005 0.000 0.930 290 R HN 0.758 nan 8.270 nan 0.000 0.475 291 R N -1.486 119.003 120.500 -0.018 0.000 2.766 291 R HA 0.577 4.917 4.340 -0.000 0.000 0.270 291 R C -1.621 174.662 176.300 -0.027 0.000 1.035 291 R CA -0.860 55.224 56.100 -0.026 0.000 0.911 291 R CB 0.899 31.192 30.300 -0.012 0.000 1.243 291 R HN -0.101 nan 8.270 nan 0.000 0.460 292 A N 0.169 122.967 122.820 -0.036 0.000 2.409 292 A HA 0.572 4.892 4.320 -0.000 0.000 0.267 292 A C 0.564 178.142 177.584 -0.009 0.000 1.127 292 A CA 0.083 52.102 52.037 -0.030 0.000 0.795 292 A CB 0.633 19.606 19.000 -0.045 0.000 1.061 292 A HN 0.886 nan 8.150 nan 0.000 0.502 293 A N 2.115 124.932 122.820 -0.005 0.000 2.324 293 A HA 0.624 4.944 4.320 -0.000 0.000 0.220 293 A C 0.924 178.514 177.584 0.009 0.000 1.209 293 A CA 0.897 52.937 52.037 0.005 0.000 0.918 293 A CB 0.026 19.028 19.000 0.003 0.000 0.959 293 A HN 2.190 nan 8.150 nan 0.000 0.507 294 G N -1.136 107.667 108.800 0.004 0.000 2.320 294 G HA2 0.446 4.406 3.960 -0.000 0.000 0.296 294 G HA3 0.446 4.406 3.960 -0.000 0.000 0.296 294 G C -1.764 173.135 174.900 -0.002 0.000 1.306 294 G CA -0.101 45.002 45.100 0.006 0.000 0.836 294 G HN 0.576 nan 8.290 nan 0.000 0.517 295 I N -0.259 120.308 120.570 -0.005 0.000 2.619 295 I HA 0.709 4.879 4.170 -0.000 0.000 0.292 295 I C -0.388 175.718 176.117 -0.018 0.000 1.100 295 I CA -1.149 60.146 61.300 -0.010 0.000 1.043 295 I CB 2.043 40.042 38.000 -0.002 0.000 1.239 295 I HN 0.622 nan 8.210 nan 0.000 0.420 296 R N 7.436 127.926 120.500 -0.017 0.000 2.229 296 R HA 0.642 4.982 4.340 -0.000 0.000 0.328 296 R C -1.740 174.549 176.300 -0.017 0.000 1.009 296 R CA -0.396 55.692 56.100 -0.020 0.000 0.864 296 R CB 0.867 31.157 30.300 -0.016 0.000 1.085 296 R HN 0.629 nan 8.270 nan 0.000 0.453 297 L N 3.135 124.345 121.223 -0.022 0.000 2.334 297 L HA 0.664 5.004 4.340 -0.000 0.000 0.272 297 L C -0.163 176.703 176.870 -0.007 0.000 1.020 297 L CA -1.118 53.713 54.840 -0.015 0.000 0.812 297 L CB 1.995 44.039 42.059 -0.025 0.000 1.264 297 L HN 0.695 nan 8.230 nan 0.000 0.439 298 A N 2.030 124.853 122.820 0.004 0.000 2.276 298 A HA 0.639 4.959 4.320 -0.000 0.000 0.316 298 A C -0.332 177.268 177.584 0.026 0.000 1.229 298 A CA -0.521 51.522 52.037 0.010 0.000 0.851 298 A CB 0.935 19.941 19.000 0.010 0.000 1.165 298 A HN 0.400 nan 8.150 nan 0.000 0.513 299 V N 2.776 122.704 119.914 0.025 0.000 2.715 299 V HA 0.453 4.573 4.120 -0.000 0.000 0.299 299 V C 0.971 177.097 176.094 0.052 0.000 1.054 299 V CA 0.781 63.108 62.300 0.046 0.000 1.077 299 V CB 0.956 32.793 31.823 0.023 0.000 0.972 299 V HN 1.127 nan 8.190 nan 0.000 0.484 300 T N 3.238 117.850 114.554 0.097 0.000 2.883 300 T HA 0.766 5.116 4.350 -0.000 0.000 0.296 300 T C -0.723 174.017 174.700 0.066 0.000 1.117 300 T CA -1.115 61.038 62.100 0.088 0.000 1.006 300 T CB 2.260 71.201 68.868 0.122 0.000 1.191 300 T HN 0.583 nan 8.240 nan 0.000 0.508 301 R N 0.166 120.676 120.500 0.017 0.000 2.808 301 R HA 0.567 4.907 4.340 -0.000 0.000 0.272 301 R C -0.827 175.477 176.300 0.007 0.000 0.995 301 R CA -1.034 55.022 56.100 -0.075 0.000 0.917 301 R CB 2.074 32.299 30.300 -0.125 0.000 1.217 301 R HN 0.550 nan 8.270 nan 0.000 0.471 302 L N 1.572 122.794 121.223 -0.002 0.000 2.397 302 L HA 0.248 4.588 4.340 -0.000 0.000 0.271 302 L C 0.327 177.198 176.870 0.002 0.000 1.148 302 L CA 0.118 54.980 54.840 0.036 0.000 0.825 302 L CB 0.529 42.624 42.059 0.060 0.000 1.117 302 L HN 0.362 nan 8.230 nan 0.000 0.456 303 E N 2.734 122.940 120.200 0.009 0.000 2.207 303 E HA 0.523 4.873 4.350 -0.000 0.000 0.250 303 E C -0.071 176.529 176.600 -0.000 0.000 0.890 303 E CA -0.086 56.314 56.400 -0.001 0.000 0.749 303 E CB 1.759 31.460 29.700 0.000 0.000 1.193 303 E HN 0.814 nan 8.360 nan 0.000 0.423 304 G N 2.574 111.371 108.800 -0.004 0.000 2.434 304 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.671 304 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.671 304 G C -0.742 174.155 174.900 -0.004 0.000 1.280 304 G CA -0.795 44.302 45.100 -0.005 0.000 0.975 304 G HN 0.372 nan 8.290 nan 0.000 0.510 305 I N 0.420 120.987 120.570 -0.005 0.000 3.206 305 I HA 0.737 4.907 4.170 -0.000 0.000 0.313 305 I C 1.429 177.542 176.117 -0.006 0.000 1.103 305 I CA -0.163 61.133 61.300 -0.006 0.000 0.985 305 I CB 1.360 39.356 38.000 -0.007 0.000 1.240 305 I HN 2.183 nan 8.210 nan 0.000 0.464 306 G N 1.711 110.506 108.800 -0.008 0.000 2.596 306 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.295 306 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.295 306 G C 0.544 175.438 174.900 -0.011 0.000 1.240 306 G CA 0.349 45.443 45.100 -0.009 0.000 0.985 306 G HN 0.670 nan 8.290 nan 0.000 0.555 307 E N 0.862 121.055 120.200 -0.011 0.000 2.442 307 E HA 0.258 4.608 4.350 -0.000 0.000 0.195 307 E C 2.492 179.086 176.600 -0.011 0.000 1.030 307 E CA 0.988 57.380 56.400 -0.013 0.000 0.869 307 E CB -0.087 29.604 29.700 -0.015 0.000 0.857 307 E HN 0.798 nan 8.360 nan 0.000 0.505 308 A N 1.036 123.851 122.820 -0.008 0.000 2.238 308 A HA -0.006 4.314 4.320 -0.000 0.000 0.208 308 A C 1.367 178.949 177.584 -0.003 0.000 1.177 308 A CA 0.212 52.245 52.037 -0.007 0.000 0.804 308 A CB -0.320 18.677 19.000 -0.007 0.000 0.823 308 A HN 0.059 nan 8.150 nan 0.000 0.482 309 T N 1.014 115.567 114.554 -0.002 0.000 2.888 309 T HA 0.368 4.718 4.350 -0.000 0.000 0.301 309 T C -0.008 174.699 174.700 0.011 0.000 1.001 309 T CA 0.049 62.152 62.100 0.005 0.000 1.147 309 T CB -0.006 68.866 68.868 0.007 0.000 0.931 309 T HN 0.323 nan 8.240 nan 0.000 0.541 310 R N 2.292 122.803 120.500 0.018 0.000 2.808 310 R HA 0.682 5.022 4.340 -0.000 0.000 0.272 310 R C -0.846 175.479 176.300 0.040 0.000 0.995 310 R CA -0.872 55.242 56.100 0.023 0.000 0.917 310 R CB 1.827 32.135 30.300 0.014 0.000 1.217 310 R HN 0.707 nan 8.270 nan 0.000 0.471 311 A N 1.548 124.398 122.820 0.050 0.000 2.289 311 A HA 0.519 4.839 4.320 -0.000 0.000 0.298 311 A C -0.055 177.557 177.584 0.047 0.000 1.208 311 A CA -0.554 51.526 52.037 0.072 0.000 0.845 311 A CB 0.391 19.445 19.000 0.091 0.000 1.125 311 A HN 0.429 nan 8.150 nan 0.000 0.517 312 V N 1.267 121.205 119.914 0.040 0.000 2.487 312 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 312 V C -2.667 173.439 176.094 0.020 0.000 1.028 312 V CA -2.525 59.788 62.300 0.021 0.000 0.860 312 V CB 1.481 33.309 31.823 0.008 0.000 0.991 312 V HN 0.753 nan 8.190 nan 0.000 0.427 313 P HA 0.090 nan 4.420 nan 0.000 0.266 313 P C 0.757 178.058 177.300 0.001 0.000 1.195 313 P CA 0.616 63.724 63.100 0.013 0.000 0.768 313 P CB 1.075 32.781 31.700 0.010 0.000 0.838 314 T N -1.276 113.277 114.554 -0.003 0.000 3.040 314 T HA 0.278 4.628 4.350 -0.000 0.000 0.252 314 T C 1.313 176.006 174.700 -0.012 0.000 1.064 314 T CA 0.944 63.036 62.100 -0.014 0.000 1.110 314 T CB -0.372 68.482 68.868 -0.023 0.000 0.921 314 T HN 0.604 nan 8.240 nan 0.000 0.480 315 G N 0.885 109.680 108.800 -0.007 0.000 2.336 315 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.194 315 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.194 315 G C -0.415 174.481 174.900 -0.008 0.000 0.999 315 G CA -0.105 44.990 45.100 -0.008 0.000 0.669 315 G HN 0.546 nan 8.290 nan 0.000 0.482 316 D N 0.630 121.025 120.400 -0.008 0.000 2.329 316 D HA 0.598 5.238 4.640 -0.000 0.000 0.246 316 D C 0.885 177.182 176.300 -0.006 0.000 1.111 316 D CA 0.620 54.615 54.000 -0.009 0.000 0.941 316 D CB 2.137 42.931 40.800 -0.011 0.000 1.169 316 D HN 0.946 nan 8.370 nan 0.000 0.441 317 V N -2.281 117.627 119.914 -0.010 0.000 3.158 317 V HA 0.741 4.861 4.120 -0.000 0.000 0.311 317 V C -0.701 175.382 176.094 -0.019 0.000 1.181 317 V CA -0.855 61.438 62.300 -0.012 0.000 1.054 317 V CB 2.298 34.113 31.823 -0.012 0.000 1.085 317 V HN 0.550 nan 8.190 nan 0.000 0.446 318 E N 0.202 120.386 120.200 -0.026 0.000 2.311 318 E HA 0.388 4.738 4.350 -0.000 0.000 0.281 318 E C -2.036 174.536 176.600 -0.046 0.000 0.905 318 E CA -0.568 55.807 56.400 -0.041 0.000 0.778 318 E CB 2.103 31.770 29.700 -0.055 0.000 1.240 318 E HN 0.895 nan 8.360 nan 0.000 0.410 319 D N 3.088 123.460 120.400 -0.046 0.000 2.232 319 D HA 0.306 4.946 4.640 -0.000 0.000 0.242 319 D C -0.928 175.337 176.300 -0.059 0.000 1.093 319 D CA -0.261 53.714 54.000 -0.042 0.000 0.845 319 D CB 1.208 41.991 40.800 -0.029 0.000 1.124 319 D HN 0.165 nan 8.370 nan 0.000 0.467 320 L N 4.984 126.172 121.223 -0.060 0.000 2.345 320 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 320 L C -2.717 174.139 176.870 -0.023 0.000 0.999 320 L CA -2.061 52.733 54.840 -0.077 0.000 0.849 320 L CB 1.665 43.646 42.059 -0.130 0.000 1.220 320 L HN 0.117 nan 8.230 nan 0.000 0.422 321 P HA 0.428 nan 4.420 nan 0.000 0.271 321 P C -1.111 176.223 177.300 0.057 0.000 1.216 321 P CA -0.207 62.908 63.100 0.025 0.000 0.776 321 P CB 0.626 32.342 31.700 0.026 0.000 0.881 322 C N -0.479 118.853 119.300 0.052 0.000 3.197 322 C HA 0.708 5.168 4.460 -0.000 0.000 0.343 322 C C 0.896 175.914 174.990 0.047 0.000 1.291 322 C CA -0.148 58.911 59.018 0.068 0.000 1.191 322 C CB 1.082 28.875 27.740 0.089 0.000 1.444 322 C HN 0.619 nan 8.230 nan 0.000 0.468 323 G N -0.540 108.291 108.800 0.051 0.000 3.228 323 G HA2 0.497 4.457 3.960 -0.000 0.000 0.245 323 G HA3 0.497 4.457 3.960 -0.000 0.000 0.245 323 G C -0.604 174.328 174.900 0.053 0.000 1.051 323 G CA 0.371 45.496 45.100 0.043 0.000 0.809 323 G HN 1.042 nan 8.290 nan 0.000 0.531 324 L N 1.252 122.511 121.223 0.060 0.000 2.482 324 L HA 0.666 5.006 4.340 -0.000 0.000 0.269 324 L C -1.371 175.538 176.870 0.064 0.000 0.967 324 L CA -0.889 54.000 54.840 0.081 0.000 0.851 324 L CB 2.286 44.390 42.059 0.075 0.000 1.242 324 L HN -0.167 nan 8.230 nan 0.000 0.404 325 V N 6.447 126.397 119.914 0.061 0.000 2.407 325 V HA 0.524 4.644 4.120 -0.000 0.000 0.291 325 V C -0.391 175.754 176.094 0.085 0.000 1.018 325 V CA -0.426 61.905 62.300 0.052 0.000 0.842 325 V CB 1.667 33.501 31.823 0.018 0.000 0.996 325 V HN 0.576 nan 8.190 nan 0.000 0.426 326 L N 3.743 125.017 121.223 0.085 0.000 2.313 326 L HA 0.555 4.895 4.340 -0.000 0.000 0.283 326 L C 0.302 177.257 176.870 0.141 0.000 1.013 326 L CA -0.118 54.793 54.840 0.119 0.000 0.816 326 L CB 2.042 44.120 42.059 0.033 0.000 1.236 326 L HN 0.605 nan 8.230 nan 0.000 0.419 327 S N 1.562 117.383 115.700 0.202 0.000 2.422 327 S HA 0.448 4.918 4.470 -0.000 0.000 0.298 327 S C 0.025 174.774 174.600 0.248 0.000 1.118 327 S CA -0.556 57.782 58.200 0.229 0.000 1.083 327 S CB 0.470 63.844 63.200 0.289 0.000 0.971 327 S HN 0.622 nan 8.310 nan 0.000 0.478 328 S N 6.029 121.863 115.700 0.223 0.000 2.158 328 S HA 0.609 5.079 4.470 -0.000 0.000 0.160 328 S C -0.400 174.364 174.600 0.272 0.000 1.693 328 S CA -0.775 57.612 58.200 0.313 0.000 1.251 328 S CB -0.809 62.538 63.200 0.245 0.000 1.153 328 S HN 0.783 nan 8.310 nan 0.000 0.439 329 I N -2.542 118.135 120.570 0.179 0.000 2.828 329 I HA 0.763 4.933 4.170 -0.000 0.000 0.295 329 I C 0.099 176.207 176.117 -0.015 0.000 1.459 329 I CA -0.596 60.774 61.300 0.117 0.000 1.015 329 I CB 1.192 39.248 38.000 0.093 0.000 1.345 329 I HN 0.605 nan 8.210 nan 0.000 0.449 330 G N 3.160 111.982 108.800 0.038 0.000 2.330 330 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.239 330 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.239 330 G C -1.124 173.739 174.900 -0.062 0.000 0.818 330 G CA 0.072 45.179 45.100 0.012 0.000 1.189 330 G HN 0.772 nan 8.290 nan 0.000 0.337 331 Y N 1.475 121.837 120.300 0.103 0.000 2.557 331 Y HA 0.285 4.835 4.550 -0.000 0.000 0.352 331 Y C 1.433 177.415 175.900 0.137 0.000 0.918 331 Y CA -0.689 57.489 58.100 0.129 0.000 1.232 331 Y CB 0.461 38.974 38.460 0.087 0.000 1.235 331 Y HN 0.496 nan 8.280 nan 0.000 0.596 332 K N 0.107 120.644 120.400 0.228 0.000 2.185 332 K HA 0.187 4.507 4.320 -0.000 0.000 0.245 332 K C 0.068 176.835 176.600 0.277 0.000 1.035 332 K CA 0.182 56.611 56.287 0.236 0.000 0.847 332 K CB 0.259 32.903 32.500 0.240 0.000 1.056 332 K HN 0.107 nan 8.250 nan 0.000 0.518 333 S N 1.253 117.144 115.700 0.318 0.000 2.448 333 S HA 0.170 4.640 4.470 -0.000 0.000 0.320 333 S C -0.294 174.351 174.600 0.076 0.000 1.071 333 S CA -0.948 57.420 58.200 0.280 0.000 1.113 333 S CB 0.759 64.131 63.200 0.287 0.000 0.972 333 S HN 0.502 nan 8.310 nan 0.000 0.465 334 R N 1.872 122.351 120.500 -0.035 0.000 2.784 334 R HA 0.233 4.573 4.340 -0.000 0.000 0.266 334 R C -2.945 173.064 176.300 -0.485 0.000 1.044 334 R CA -1.152 54.747 56.100 -0.335 0.000 1.151 334 R CB -0.833 29.378 30.300 -0.148 0.000 1.037 334 R HN 0.161 nan 8.270 nan 0.000 0.478 335 P HA 0.032 nan 4.420 nan 0.000 0.273 335 P C 0.436 177.602 177.300 -0.223 0.000 1.319 335 P CA 0.047 62.896 63.100 -0.419 0.000 0.885 335 P CB 0.411 31.919 31.700 -0.321 0.000 1.015 336 I N 1.475 121.909 120.570 -0.227 0.000 2.315 336 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 336 I C 0.254 176.247 176.117 -0.206 0.000 1.125 336 I CA 1.755 62.840 61.300 -0.359 0.000 1.392 336 I CB 0.269 37.815 38.000 -0.756 0.000 1.065 336 I HN 0.258 nan 8.210 nan 0.000 0.424 337 D N -0.545 119.783 120.400 -0.120 0.000 2.934 337 D HA 0.230 4.870 4.640 -0.000 0.000 0.230 337 D C -2.152 174.129 176.300 -0.032 0.000 1.204 337 D CA -1.522 52.434 54.000 -0.073 0.000 0.873 337 D CB 2.213 42.978 40.800 -0.058 0.000 1.645 337 D HN -0.090 nan 8.370 nan 0.000 0.502 338 P HA -0.067 nan 4.420 nan 0.000 0.234 338 P C 1.014 178.321 177.300 0.012 0.000 1.167 338 P CA 0.480 63.578 63.100 -0.004 0.000 0.763 338 P CB 0.469 32.163 31.700 -0.009 0.000 0.835 339 S N -0.824 114.881 115.700 0.007 0.000 2.501 339 S HA 0.068 4.538 4.470 -0.000 0.000 0.220 339 S C 0.747 175.367 174.600 0.033 0.000 0.997 339 S CA -0.133 58.077 58.200 0.016 0.000 0.919 339 S CB -0.313 62.891 63.200 0.006 0.000 0.778 339 S HN -0.127 nan 8.310 nan 0.000 0.523 340 V N 4.797 124.739 119.914 0.046 0.000 2.407 340 V HA 0.437 4.557 4.120 -0.000 0.000 0.278 340 V C -2.023 174.141 176.094 0.118 0.000 1.037 340 V CA -2.075 60.275 62.300 0.083 0.000 0.900 340 V CB 1.202 33.093 31.823 0.112 0.000 0.983 340 V HN 0.347 nan 8.190 nan 0.000 0.459 341 P HA 0.280 nan 4.420 nan 0.000 0.272 341 P C -1.151 176.301 177.300 0.253 0.000 1.230 341 P CA -0.080 63.102 63.100 0.137 0.000 0.788 341 P CB 0.911 32.659 31.700 0.079 0.000 0.949 342 F N 0.515 120.488 119.950 0.037 0.000 2.608 342 F HA 0.287 4.814 4.527 -0.000 0.000 0.309 342 F C -1.178 174.640 175.800 0.031 0.000 1.103 342 F CA -1.029 56.997 58.000 0.045 0.000 0.954 342 F CB 1.978 41.013 39.000 0.057 0.000 1.267 342 F HN 0.159 nan 8.300 nan 0.000 0.444 343 D N 6.784 126.657 120.400 -0.878 0.000 2.485 343 D HA 0.352 4.992 4.640 -0.000 0.000 0.229 343 D C -2.135 173.692 176.300 -0.787 0.000 1.101 343 D CA -2.167 51.474 54.000 -0.598 0.000 0.906 343 D CB 1.872 42.442 40.800 -0.383 0.000 1.019 343 D HN 0.194 nan 8.370 nan 0.000 0.516 344 P HA -0.195 nan 4.420 nan 0.000 0.216 344 P C 1.259 178.492 177.300 -0.112 0.000 1.150 344 P CA 1.263 64.287 63.100 -0.126 0.000 0.843 344 P CB 0.424 32.145 31.700 0.036 0.000 0.787 345 K N 0.114 120.438 120.400 -0.128 0.000 1.977 345 K HA -0.153 4.167 4.320 -0.000 0.000 0.218 345 K C 1.597 178.141 176.600 -0.094 0.000 1.051 345 K CA 1.839 58.074 56.287 -0.087 0.000 0.953 345 K CB -1.321 31.130 32.500 -0.082 0.000 0.727 345 K HN -0.049 nan 8.250 nan 0.000 0.445 346 L N 0.259 121.397 121.223 -0.142 0.000 2.554 346 L HA 0.258 4.598 4.340 -0.000 0.000 0.226 346 L C 1.079 177.879 176.870 -0.116 0.000 1.137 346 L CA 1.168 55.938 54.840 -0.118 0.000 0.863 346 L CB -0.505 41.482 42.059 -0.119 0.000 0.985 346 L HN 0.620 nan 8.230 nan 0.000 0.451 347 G N -0.137 108.548 108.800 -0.192 0.000 2.305 347 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.287 347 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.287 347 G C 0.065 174.993 174.900 0.046 0.000 1.036 347 G CA 0.582 45.674 45.100 -0.014 0.000 0.887 347 G HN 0.234 nan 8.290 nan 0.000 0.505 348 V N -1.221 118.528 119.914 -0.275 0.000 3.158 348 V HA 0.720 4.840 4.120 -0.000 0.000 0.311 348 V C 0.200 176.242 176.094 -0.087 0.000 1.181 348 V CA -0.748 61.533 62.300 -0.032 0.000 1.054 348 V CB 2.422 34.213 31.823 -0.054 0.000 1.085 348 V HN 0.366 nan 8.190 nan 0.000 0.446 349 V N 4.631 124.612 119.914 0.111 0.000 2.408 349 V HA 0.312 4.432 4.120 -0.000 0.000 0.267 349 V C -2.267 173.843 176.094 0.027 0.000 1.047 349 V CA -1.669 60.721 62.300 0.150 0.000 0.937 349 V CB 1.251 33.178 31.823 0.173 0.000 0.999 349 V HN 0.812 nan 8.190 nan 0.000 0.472 350 P HA 0.026 nan 4.420 nan 0.000 0.258 350 P C -0.703 176.592 177.300 -0.007 0.000 1.172 350 P CA 0.526 63.610 63.100 -0.028 0.000 0.762 350 P CB 0.077 31.763 31.700 -0.023 0.000 0.764 351 N N 1.812 120.505 118.700 -0.013 0.000 2.710 351 N HA 0.584 5.324 4.740 -0.000 0.000 0.257 351 N C -1.434 174.073 175.510 -0.005 0.000 1.327 351 N CA -0.882 52.163 53.050 -0.007 0.000 0.861 351 N CB 1.234 39.726 38.487 0.008 0.000 1.532 351 N HN 0.048 nan 8.380 nan 0.000 0.499 352 M N 1.081 120.680 119.600 -0.001 0.000 2.035 352 M HA 0.330 4.810 4.480 -0.000 0.000 0.286 352 M C -0.801 175.513 176.300 0.024 0.000 0.907 352 M CA -0.266 55.039 55.300 0.007 0.000 0.935 352 M CB 1.371 33.973 32.600 0.004 0.000 1.557 352 M HN 0.840 nan 8.290 nan 0.000 0.426 353 E N 0.898 121.116 120.200 0.030 0.000 2.791 353 E HA -0.239 4.111 4.350 -0.000 0.000 0.271 353 E C 0.831 177.477 176.600 0.077 0.000 1.044 353 E CA 0.667 57.094 56.400 0.045 0.000 0.814 353 E CB -1.566 28.161 29.700 0.045 0.000 1.400 353 E HN 1.267 nan 8.360 nan 0.000 0.423 354 G N 0.163 109.008 108.800 0.076 0.000 2.213 354 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.226 354 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.226 354 G C 0.215 175.188 174.900 0.122 0.000 0.992 354 G CA 0.155 45.332 45.100 0.129 0.000 0.632 354 G HN 0.209 nan 8.290 nan 0.000 0.511 355 R N 0.732 121.243 120.500 0.019 0.000 2.202 355 R HA 0.506 4.846 4.340 -0.000 0.000 0.334 355 R C 0.421 176.650 176.300 -0.119 0.000 1.036 355 R CA -0.505 55.490 56.100 -0.175 0.000 0.878 355 R CB 1.755 31.968 30.300 -0.144 0.000 1.067 355 R HN 0.097 nan 8.270 nan 0.000 0.457 356 V N 4.621 124.449 119.914 -0.144 0.000 2.540 356 V HA -0.057 4.063 4.120 -0.000 0.000 0.297 356 V C 0.726 176.785 176.094 -0.058 0.000 1.024 356 V CA -0.045 62.219 62.300 -0.060 0.000 1.105 356 V CB 0.911 32.714 31.823 -0.032 0.000 0.938 356 V HN 0.492 nan 8.190 nan 0.000 0.482 357 V N 5.708 125.606 119.914 -0.028 0.000 2.475 357 V HA 0.010 4.130 4.120 -0.000 0.000 0.292 357 V C 1.029 177.112 176.094 -0.017 0.000 1.003 357 V CA 1.198 63.485 62.300 -0.022 0.000 1.120 357 V CB -0.438 31.376 31.823 -0.014 0.000 0.937 357 V HN 1.200 nan 8.190 nan 0.000 0.476 358 D N 3.123 123.510 120.400 -0.022 0.000 3.068 358 D HA -0.148 4.492 4.640 -0.000 0.000 0.218 358 D C -0.370 175.920 176.300 -0.017 0.000 1.145 358 D CA 1.007 54.997 54.000 -0.015 0.000 0.896 358 D CB -0.606 40.190 40.800 -0.006 0.000 1.105 358 D HN 0.411 nan 8.370 nan 0.000 0.423 359 V N 0.597 120.491 119.914 -0.034 0.000 2.538 359 V HA 0.369 4.489 4.120 -0.000 0.000 0.265 359 V C -2.145 173.911 176.094 -0.064 0.000 0.977 359 V CA -1.229 61.051 62.300 -0.033 0.000 0.852 359 V CB 1.561 33.372 31.823 -0.019 0.000 1.058 359 V HN -0.023 nan 8.190 nan 0.000 0.462 360 P HA 0.261 nan 4.420 nan 0.000 0.264 360 P C 1.170 178.471 177.300 0.001 0.000 1.183 360 P CA 1.656 64.740 63.100 -0.027 0.000 0.763 360 P CB 0.772 32.482 31.700 0.017 0.000 0.807 361 G N 1.362 110.173 108.800 0.018 0.000 2.225 361 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 361 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 361 G C -0.286 174.716 174.900 0.171 0.000 0.988 361 G CA -0.146 45.069 45.100 0.191 0.000 0.625 361 G HN 0.571 nan 8.290 nan 0.000 0.527 362 L N 1.171 122.341 121.223 -0.089 0.000 2.296 362 L HA 0.852 5.192 4.340 -0.000 0.000 0.286 362 L C -0.410 176.303 176.870 -0.262 0.000 1.023 362 L CA -1.651 53.170 54.840 -0.031 0.000 0.812 362 L CB 0.711 42.761 42.059 -0.014 0.000 1.223 362 L HN 0.154 nan 8.230 nan 0.000 0.421 363 Y N 2.978 123.311 120.300 0.054 0.000 2.693 363 Y HA 0.770 5.320 4.550 -0.000 0.000 0.331 363 Y C 0.143 176.069 175.900 0.044 0.000 1.092 363 Y CA -0.874 57.255 58.100 0.047 0.000 1.131 363 Y CB 1.651 40.137 38.460 0.043 0.000 1.318 363 Y HN 0.769 nan 8.280 nan 0.000 0.510 364 C N -0.490 118.935 119.300 0.208 0.000 3.285 364 C HA 0.942 5.402 4.460 -0.000 0.000 0.325 364 C C -0.865 174.183 174.990 0.097 0.000 1.304 364 C CA -0.900 58.185 59.018 0.112 0.000 1.319 364 C CB 1.108 28.884 27.740 0.059 0.000 1.640 364 C HN 1.053 nan 8.230 nan 0.000 0.477 365 S N 0.640 116.377 115.700 0.061 0.000 2.588 365 S HA 0.958 5.428 4.470 -0.000 0.000 0.269 365 S C 0.004 174.640 174.600 0.061 0.000 1.157 365 S CA 0.501 58.739 58.200 0.063 0.000 0.824 365 S CB 0.857 64.099 63.200 0.070 0.000 1.126 365 S HN 3.172 nan 8.310 nan 0.000 0.464 366 G N 0.755 109.610 108.800 0.091 0.000 2.584 366 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.229 366 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.229 366 G C 0.166 175.228 174.900 0.269 0.000 1.320 366 G CA 0.298 45.488 45.100 0.150 0.000 0.891 366 G HN 0.980 nan 8.290 nan 0.000 0.573 367 W N -0.440 120.860 121.300 -0.000 0.000 2.350 367 W HA 0.067 4.727 4.660 -0.000 0.000 0.289 367 W C 2.837 179.345 176.519 -0.018 0.000 1.215 367 W CA 1.490 58.839 57.345 0.007 0.000 1.236 367 W CB -1.207 28.272 29.460 0.032 0.000 1.130 367 W HN 0.558 nan 8.180 nan 0.000 0.541 368 V N 0.700 120.688 119.914 0.124 0.000 2.970 368 V HA -0.189 3.931 4.120 -0.000 0.000 0.260 368 V C 2.226 178.320 176.094 0.001 0.000 1.100 368 V CA 2.207 64.479 62.300 -0.048 0.000 1.122 368 V CB -0.348 31.208 31.823 -0.445 0.000 0.721 368 V HN 0.185 nan 8.190 nan 0.000 0.483 369 K N -1.223 119.199 120.400 0.037 0.000 2.287 369 K HA 0.065 4.385 4.320 -0.000 0.000 0.199 369 K C 2.081 178.699 176.600 0.029 0.000 1.061 369 K CA 0.033 56.341 56.287 0.035 0.000 0.976 369 K CB 0.107 32.634 32.500 0.046 0.000 0.898 369 K HN 0.203 nan 8.250 nan 0.000 0.492 370 R N 0.106 120.631 120.500 0.042 0.000 2.279 370 R HA 0.232 4.572 4.340 -0.000 0.000 0.195 370 R C 0.100 176.367 176.300 -0.054 0.000 0.905 370 R CA 0.794 56.897 56.100 0.005 0.000 1.044 370 R CB 0.988 31.304 30.300 0.026 0.000 1.056 370 R HN 0.411 nan 8.270 nan 0.000 0.535 371 G N 1.885 110.641 108.800 -0.074 0.000 2.539 371 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 371 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 371 G C -2.871 171.733 174.900 -0.494 0.000 1.258 371 G CA -0.999 44.000 45.100 -0.169 0.000 0.846 371 G HN -0.109 nan 8.290 nan 0.000 0.647 372 P HA 0.215 nan 4.420 nan 0.000 0.244 372 P C 0.696 177.202 177.300 -1.323 0.000 1.769 372 P CA 0.760 62.882 63.100 -1.631 0.000 1.102 372 P CB -0.024 31.187 31.700 -0.815 0.000 1.937 373 T N -1.871 112.034 114.554 -1.081 0.000 3.123 373 T HA 0.196 4.546 4.350 -0.000 0.000 0.259 373 T C 0.910 175.567 174.700 -0.071 0.000 0.871 373 T CA 0.141 62.002 62.100 -0.398 0.000 0.857 373 T CB -0.419 68.315 68.868 -0.223 0.000 1.267 373 T HN 0.213 nan 8.240 nan 0.000 0.556 374 G N 2.903 111.734 108.800 0.052 0.000 2.415 374 G HA2 0.541 4.501 3.960 -0.000 0.000 0.269 374 G HA3 0.541 4.501 3.960 -0.000 0.000 0.269 374 G C 0.306 175.454 174.900 0.414 0.000 1.209 374 G CA -0.118 45.136 45.100 0.256 0.000 0.835 374 G HN 0.787 nan 8.290 nan 0.000 0.534 375 V N 1.780 121.832 119.914 0.230 0.000 3.441 375 V HA 0.224 4.344 4.120 -0.000 0.000 0.300 375 V C 1.766 177.943 176.094 0.138 0.000 1.091 375 V CA -0.253 62.154 62.300 0.178 0.000 1.099 375 V CB 0.388 32.271 31.823 0.101 0.000 1.138 375 V HN 0.703 nan 8.190 nan 0.000 0.471 376 I N 0.186 120.810 120.570 0.090 0.000 2.208 376 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 376 I C 2.639 178.773 176.117 0.028 0.000 1.097 376 I CA 2.133 63.483 61.300 0.084 0.000 1.363 376 I CB -0.599 37.462 38.000 0.102 0.000 1.051 376 I HN 0.903 nan 8.210 nan 0.000 0.413 377 T N -0.072 114.477 114.554 -0.008 0.000 2.788 377 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 377 T C 1.898 176.534 174.700 -0.108 0.000 1.044 377 T CA 1.983 64.031 62.100 -0.086 0.000 1.139 377 T CB -0.347 68.493 68.868 -0.047 0.000 0.867 377 T HN 0.384 nan 8.240 nan 0.000 0.454 378 T N 1.711 116.250 114.554 -0.024 0.000 2.777 378 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 378 T C 2.300 176.989 174.700 -0.017 0.000 1.040 378 T CA 1.483 63.579 62.100 -0.006 0.000 1.141 378 T CB -0.585 68.319 68.868 0.059 0.000 0.868 378 T HN 0.398 nan 8.240 nan 0.000 0.444 379 T N 2.314 116.883 114.554 0.025 0.000 2.788 379 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 379 T C 1.939 176.570 174.700 -0.116 0.000 1.044 379 T CA 1.048 63.170 62.100 0.036 0.000 1.139 379 T CB -0.303 68.612 68.868 0.079 0.000 0.867 379 T HN 0.319 nan 8.240 nan 0.000 0.454 380 M N 1.013 120.422 119.600 -0.319 0.000 2.086 380 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 380 M C 2.205 177.929 176.300 -0.961 0.000 1.067 380 M CA 1.669 56.416 55.300 -0.922 0.000 1.116 380 M CB -0.558 31.199 32.600 -1.404 0.000 1.348 380 M HN 0.148 nan 8.290 nan 0.000 0.407 381 T N 0.245 114.476 114.554 -0.538 0.000 2.759 381 T HA -0.202 4.147 4.350 -0.000 0.000 0.269 381 T C 1.276 175.887 174.700 -0.149 0.000 1.042 381 T CA 1.944 63.874 62.100 -0.285 0.000 1.140 381 T CB -0.554 68.243 68.868 -0.118 0.000 0.864 381 T HN 0.573 nan 8.240 nan 0.000 0.455 382 D N 0.732 121.059 120.400 -0.121 0.000 2.117 382 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 382 D C 2.223 178.511 176.300 -0.020 0.000 0.982 382 D CA 1.108 55.087 54.000 -0.035 0.000 0.828 382 D CB -0.152 40.652 40.800 0.007 0.000 0.967 382 D HN 0.222 nan 8.370 nan 0.000 0.464 383 S N -0.583 115.083 115.700 -0.057 0.000 2.383 383 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 383 S C 1.628 176.306 174.600 0.129 0.000 1.026 383 S CA 0.471 58.693 58.200 0.036 0.000 0.981 383 S CB -0.356 62.889 63.200 0.074 0.000 0.818 383 S HN 0.275 nan 8.310 nan 0.000 0.472 384 F N 1.626 121.524 119.950 -0.086 0.000 2.146 384 F HA 0.116 4.642 4.527 -0.000 0.000 0.298 384 F C 1.973 177.524 175.800 -0.415 0.000 1.096 384 F CA 0.004 57.858 58.000 -0.243 0.000 1.275 384 F CB -1.187 37.771 39.000 -0.071 0.000 1.008 384 F HN 0.153 nan 8.300 nan 0.000 0.480 385 L N -0.962 120.261 121.223 -0.000 0.000 2.141 385 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 385 L C 2.239 179.070 176.870 -0.065 0.000 1.094 385 L CA 1.322 56.135 54.840 -0.045 0.000 0.763 385 L CB -0.893 41.168 42.059 0.003 0.000 0.908 385 L HN 0.113 nan 8.230 nan 0.000 0.437 386 T N -0.658 113.872 114.554 -0.039 0.000 2.851 386 T HA -0.059 4.290 4.350 -0.000 0.000 0.262 386 T C 1.837 176.479 174.700 -0.097 0.000 1.043 386 T CA 1.186 63.282 62.100 -0.006 0.000 1.140 386 T CB -0.331 68.567 68.868 0.051 0.000 0.872 386 T HN 0.511 nan 8.240 nan 0.000 0.446 387 G N 0.791 109.500 108.800 -0.151 0.000 2.432 387 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 387 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 387 G C 1.435 176.248 174.900 -0.144 0.000 1.135 387 G CA 0.980 46.000 45.100 -0.134 0.000 0.767 387 G HN 0.518 nan 8.290 nan 0.000 0.550 388 Q N -0.262 119.328 119.800 -0.351 0.000 2.046 388 Q HA 0.012 4.351 4.340 -0.000 0.000 0.200 388 Q C 2.397 178.363 176.000 -0.056 0.000 0.975 388 Q CA 1.158 56.892 55.803 -0.116 0.000 0.836 388 Q CB -0.224 28.417 28.738 -0.161 0.000 0.896 388 Q HN 0.515 nan 8.270 nan 0.000 0.428 389 I N 0.329 120.861 120.570 -0.063 0.000 2.546 389 I HA -0.194 3.976 4.170 -0.000 0.000 0.255 389 I C 2.116 178.197 176.117 -0.059 0.000 1.163 389 I CA 0.429 61.717 61.300 -0.020 0.000 1.457 389 I CB 0.103 38.136 38.000 0.055 0.000 1.092 389 I HN 0.383 nan 8.210 nan 0.000 0.434 390 L N 0.211 121.312 121.223 -0.203 0.000 2.056 390 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 390 L C 2.225 178.976 176.870 -0.197 0.000 1.078 390 L CA 1.420 55.983 54.840 -0.461 0.000 0.749 390 L CB -0.123 41.514 42.059 -0.703 0.000 0.901 390 L HN 0.226 nan 8.230 nan 0.000 0.433 391 L N -0.796 120.378 121.223 -0.081 0.000 2.217 391 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 391 L C 2.513 179.381 176.870 -0.003 0.000 1.107 391 L CA 0.858 55.703 54.840 0.008 0.000 0.783 391 L CB -0.317 41.798 42.059 0.093 0.000 0.919 391 L HN 0.397 nan 8.230 nan 0.000 0.442 392 Q N -0.361 119.415 119.800 -0.041 0.000 2.123 392 Q HA -0.162 4.178 4.340 -0.000 0.000 0.199 392 Q C 1.555 177.473 176.000 -0.137 0.000 0.966 392 Q CA 1.145 56.913 55.803 -0.058 0.000 0.845 392 Q CB 0.124 28.829 28.738 -0.055 0.000 0.907 392 Q HN 0.439 nan 8.270 nan 0.000 0.439 393 D N 0.721 120.996 120.400 -0.209 0.000 2.149 393 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 393 D C 1.810 178.046 176.300 -0.108 0.000 0.972 393 D CA 0.557 54.298 54.000 -0.431 0.000 0.835 393 D CB -0.040 40.628 40.800 -0.220 0.000 0.966 393 D HN 0.173 nan 8.370 nan 0.000 0.476 394 L N 0.798 122.005 121.223 -0.026 0.000 2.046 394 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 394 L C 2.135 179.034 176.870 0.048 0.000 1.077 394 L CA 1.407 56.263 54.840 0.027 0.000 0.747 394 L CB -0.026 42.038 42.059 0.008 0.000 0.896 394 L HN -0.110 nan 8.230 nan 0.000 0.432 395 K N -0.151 120.273 120.400 0.040 0.000 2.366 395 K HA -0.026 4.294 4.320 -0.000 0.000 0.198 395 K C 1.318 177.955 176.600 0.060 0.000 1.044 395 K CA 0.869 57.187 56.287 0.051 0.000 0.973 395 K CB 0.091 32.615 32.500 0.039 0.000 0.767 395 K HN 0.422 nan 8.250 nan 0.000 0.475 396 A N 0.196 123.061 122.820 0.075 0.000 2.460 396 A HA 0.301 4.621 4.320 -0.000 0.000 0.258 396 A C 0.964 178.710 177.584 0.270 0.000 1.300 396 A CA 0.368 52.503 52.037 0.163 0.000 0.913 396 A CB -0.118 18.992 19.000 0.183 0.000 1.031 396 A HN 0.422 nan 8.150 nan 0.000 0.512 397 G N -0.837 108.082 108.800 0.197 0.000 2.153 397 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.252 397 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.252 397 G C 0.573 175.598 174.900 0.209 0.000 0.994 397 G CA 0.936 46.133 45.100 0.163 0.000 0.698 397 G HN 0.648 nan 8.290 nan 0.000 0.521 398 H N -0.542 118.570 119.070 0.069 0.000 2.428 398 H HA 0.242 4.798 4.556 -0.000 0.000 0.296 398 H C 1.938 177.324 175.328 0.096 0.000 1.062 398 H CA 1.238 57.336 56.048 0.083 0.000 1.350 398 H CB -0.007 29.822 29.762 0.112 0.000 1.403 398 H HN 0.506 nan 8.280 nan 0.000 0.533 399 L N 1.623 122.989 121.223 0.238 0.000 2.375 399 L HA 0.278 4.618 4.340 -0.000 0.000 0.271 399 L C -1.820 175.147 176.870 0.163 0.000 1.107 399 L CA -2.241 52.718 54.840 0.199 0.000 0.806 399 L CB 0.325 42.497 42.059 0.187 0.000 1.146 399 L HN -0.041 nan 8.230 nan 0.000 0.447 400 P HA -0.034 nan 4.420 nan 0.000 0.261 400 P C -0.518 176.894 177.300 0.187 0.000 1.173 400 P CA 0.084 63.286 63.100 0.170 0.000 0.760 400 P CB 0.404 32.206 31.700 0.170 0.000 0.783 401 S N 1.912 117.680 115.700 0.114 0.000 2.632 401 S HA 0.726 5.196 4.470 -0.000 0.000 0.271 401 S C 0.371 175.039 174.600 0.114 0.000 1.260 401 S CA 0.064 58.316 58.200 0.087 0.000 1.010 401 S CB 0.880 64.113 63.200 0.054 0.000 0.965 401 S HN 0.940 nan 8.310 nan 0.000 0.534 402 G N 1.214 110.081 108.800 0.112 0.000 2.712 402 G HA2 0.058 4.018 3.960 -0.000 0.000 0.686 402 G HA3 0.058 4.018 3.960 -0.000 0.000 0.686 402 G C -3.095 171.928 174.900 0.204 0.000 1.181 402 G CA -0.643 44.523 45.100 0.110 0.000 0.762 402 G HN 0.757 nan 8.290 nan 0.000 0.641 403 P HA 0.440 nan 4.420 nan 0.000 0.272 403 P C -0.618 176.668 177.300 -0.023 0.000 1.223 403 P CA -0.095 63.076 63.100 0.118 0.000 0.784 403 P CB 0.839 32.569 31.700 0.050 0.000 0.923 404 R N 2.482 122.895 120.500 -0.145 0.000 2.621 404 R HA 0.324 4.663 4.340 -0.000 0.000 0.292 404 R C -1.502 174.652 176.300 -0.245 0.000 0.969 404 R CA -2.233 53.672 56.100 -0.324 0.000 0.887 404 R CB 1.286 31.178 30.300 -0.679 0.000 1.180 404 R HN 0.365 nan 8.270 nan 0.000 0.450 405 P HA -0.097 nan 4.420 nan 0.000 0.218 405 P C 0.719 177.872 177.300 -0.246 0.000 1.149 405 P CA 1.486 64.484 63.100 -0.170 0.000 0.817 405 P CB 0.553 32.192 31.700 -0.101 0.000 0.785 406 G N 0.753 109.259 108.800 -0.489 0.000 2.556 406 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.283 406 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.283 406 G C 1.182 175.838 174.900 -0.407 0.000 1.177 406 G CA 1.280 45.876 45.100 -0.841 0.000 0.978 406 G HN 0.453 nan 8.290 nan 0.000 0.554 407 S N 0.543 116.157 115.700 -0.144 0.000 2.447 407 S HA 0.225 4.695 4.470 -0.000 0.000 0.233 407 S C 2.662 177.225 174.600 -0.061 0.000 1.006 407 S CA 2.008 60.192 58.200 -0.026 0.000 0.957 407 S CB -0.547 62.675 63.200 0.037 0.000 0.773 407 S HN 2.112 nan 8.310 nan 0.000 0.507 408 A N 1.318 124.109 122.820 -0.050 0.000 1.917 408 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 408 A C 1.947 179.536 177.584 0.007 0.000 1.182 408 A CA 1.734 53.761 52.037 -0.017 0.000 0.633 408 A CB -0.972 18.022 19.000 -0.011 0.000 0.819 408 A HN 0.640 nan 8.150 nan 0.000 0.448 409 F N 0.071 119.950 119.950 -0.117 0.000 2.317 409 F HA 0.064 4.591 4.527 -0.000 0.000 0.293 409 F C 1.847 177.596 175.800 -0.085 0.000 1.085 409 F CA 0.608 58.548 58.000 -0.101 0.000 1.390 409 F CB 0.020 38.949 39.000 -0.119 0.000 1.077 409 F HN 0.095 nan 8.300 nan 0.000 0.517 410 I N 0.637 121.066 120.570 -0.235 0.000 2.394 410 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 410 I C 2.117 178.073 176.117 -0.269 0.000 1.136 410 I CA 1.197 62.337 61.300 -0.268 0.000 1.425 410 I CB -1.282 36.700 38.000 -0.030 0.000 1.079 410 I HN 0.186 nan 8.210 nan 0.000 0.425 411 K N 0.983 121.250 120.400 -0.222 0.000 2.057 411 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 411 K C 2.256 178.746 176.600 -0.184 0.000 1.049 411 K CA 1.608 57.788 56.287 -0.178 0.000 0.931 411 K CB -0.162 32.273 32.500 -0.108 0.000 0.714 411 K HN 0.286 nan 8.250 nan 0.000 0.440 412 A N 1.087 123.767 122.820 -0.234 0.000 1.898 412 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 412 A C 2.062 179.476 177.584 -0.283 0.000 1.181 412 A CA 1.031 52.929 52.037 -0.231 0.000 0.620 412 A CB -0.531 18.340 19.000 -0.215 0.000 0.819 412 A HN 0.202 nan 8.150 nan 0.000 0.442 413 L N -0.108 120.843 121.223 -0.452 0.000 2.042 413 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 413 L C 2.333 179.065 176.870 -0.229 0.000 1.076 413 L CA 1.693 56.287 54.840 -0.410 0.000 0.749 413 L CB -0.528 41.179 42.059 -0.586 0.000 0.893 413 L HN 0.420 nan 8.230 nan 0.000 0.432 414 L N -1.104 120.001 121.223 -0.197 0.000 2.093 414 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 414 L C 2.264 179.080 176.870 -0.090 0.000 1.085 414 L CA 1.178 55.952 54.840 -0.110 0.000 0.755 414 L CB -0.779 41.239 42.059 -0.069 0.000 0.904 414 L HN 0.296 nan 8.230 nan 0.000 0.435 415 D N -0.142 120.187 120.400 -0.118 0.000 2.123 415 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 415 D C 2.323 178.558 176.300 -0.108 0.000 0.992 415 D CA 1.895 55.821 54.000 -0.125 0.000 0.833 415 D CB -0.048 40.661 40.800 -0.151 0.000 0.954 415 D HN 0.351 nan 8.370 nan 0.000 0.455 416 S N 0.122 115.756 115.700 -0.109 0.000 2.507 416 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 416 S C 1.646 176.206 174.600 -0.066 0.000 0.988 416 S CA 0.470 58.618 58.200 -0.087 0.000 0.944 416 S CB -0.100 63.047 63.200 -0.090 0.000 0.762 416 S HN 0.176 nan 8.310 nan 0.000 0.526 417 R N 0.256 120.718 120.500 -0.064 0.000 2.362 417 R HA 0.321 4.661 4.340 -0.000 0.000 0.227 417 R C 1.335 177.621 176.300 -0.023 0.000 0.905 417 R CA 0.372 56.447 56.100 -0.042 0.000 1.067 417 R CB 0.193 30.466 30.300 -0.045 0.000 1.078 417 R HN 0.529 nan 8.270 nan 0.000 0.516 418 G N 0.909 109.693 108.800 -0.027 0.000 2.136 418 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 418 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 418 G C -0.003 174.924 174.900 0.045 0.000 0.989 418 G CA -0.007 45.092 45.100 -0.001 0.000 0.682 418 G HN 0.139 nan 8.290 nan 0.000 0.522 419 V N 0.934 120.873 119.914 0.041 0.000 2.348 419 V HA 0.466 4.586 4.120 -0.000 0.000 0.270 419 V C 0.154 176.354 176.094 0.176 0.000 1.037 419 V CA -0.779 61.581 62.300 0.100 0.000 0.872 419 V CB 1.129 32.989 31.823 0.061 0.000 1.002 419 V HN 0.329 nan 8.190 nan 0.000 0.464 420 W N 9.296 130.618 121.300 0.036 0.000 2.316 420 W HA 0.479 5.139 4.660 -0.000 0.000 0.339 420 W C -2.591 174.013 176.519 0.141 0.000 1.002 420 W CA -3.320 54.053 57.345 0.047 0.000 1.465 420 W CB 0.759 30.223 29.460 0.006 0.000 1.300 420 W HN 0.417 nan 8.180 nan 0.000 0.378 421 P HA 0.001 nan 4.420 nan 0.000 0.269 421 P C -0.674 176.851 177.300 0.374 0.000 1.215 421 P CA 0.049 63.365 63.100 0.360 0.000 0.780 421 P CB 0.919 32.855 31.700 0.393 0.000 0.898 422 V N 2.597 122.628 119.914 0.194 0.000 2.370 422 V HA 0.238 4.358 4.120 -0.000 0.000 0.283 422 V C 0.662 176.877 176.094 0.203 0.000 1.023 422 V CA -0.237 62.154 62.300 0.152 0.000 0.857 422 V CB 0.956 32.818 31.823 0.066 0.000 0.985 422 V HN 0.693 nan 8.190 nan 0.000 0.443 423 S N 4.276 120.116 115.700 0.234 0.000 2.655 423 S HA 0.351 4.821 4.470 -0.000 0.000 0.265 423 S C 0.806 175.663 174.600 0.428 0.000 1.240 423 S CA -0.217 58.139 58.200 0.260 0.000 0.986 423 S CB 0.647 63.956 63.200 0.182 0.000 0.985 423 S HN 0.513 nan 8.310 nan 0.000 0.562 424 F N 1.546 121.656 119.950 0.267 0.000 2.259 424 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 424 F C 2.728 178.617 175.800 0.148 0.000 1.088 424 F CA 1.587 59.686 58.000 0.165 0.000 1.358 424 F CB -0.560 38.497 39.000 0.096 0.000 1.040 424 F HN 0.752 nan 8.300 nan 0.000 0.505 425 S N -0.816 115.019 115.700 0.225 0.000 2.402 425 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 425 S C 1.749 176.341 174.600 -0.013 0.000 1.021 425 S CA 1.394 59.650 58.200 0.093 0.000 0.974 425 S CB -0.595 62.674 63.200 0.115 0.000 0.800 425 S HN 0.362 nan 8.310 nan 0.000 0.484 426 D N 0.886 121.306 120.400 0.033 0.000 2.117 426 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 426 D C 1.583 177.824 176.300 -0.098 0.000 0.982 426 D CA 1.084 55.068 54.000 -0.028 0.000 0.828 426 D CB -0.555 40.239 40.800 -0.010 0.000 0.967 426 D HN 0.682 nan 8.370 nan 0.000 0.464 427 W N 2.239 123.386 121.300 -0.256 0.000 2.363 427 W HA -0.166 4.494 4.660 -0.000 0.000 0.296 427 W C 1.374 177.664 176.519 -0.383 0.000 1.212 427 W CA 0.844 57.958 57.345 -0.386 0.000 1.260 427 W CB 0.134 29.186 29.460 -0.679 0.000 1.131 427 W HN -0.094 nan 8.180 nan 0.000 0.530 428 E N 1.041 120.746 120.200 -0.827 0.000 2.160 428 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 428 E C 1.912 178.159 176.600 -0.589 0.000 0.991 428 E CA 1.516 57.451 56.400 -0.775 0.000 0.810 428 E CB -0.446 29.035 29.700 -0.365 0.000 0.742 428 E HN 0.470 nan 8.360 nan 0.000 0.466 429 K N 0.446 120.599 120.400 -0.411 0.000 2.025 429 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 429 K C 2.399 178.793 176.600 -0.343 0.000 1.049 429 K CA 0.732 56.844 56.287 -0.292 0.000 0.933 429 K CB -0.114 32.274 32.500 -0.187 0.000 0.714 429 K HN 0.070 nan 8.250 nan 0.000 0.438 430 L N 0.839 121.817 121.223 -0.407 0.000 2.056 430 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 430 L C 2.269 178.816 176.870 -0.539 0.000 1.078 430 L CA 1.215 55.844 54.840 -0.352 0.000 0.749 430 L CB -0.482 41.477 42.059 -0.168 0.000 0.901 430 L HN 0.242 nan 8.230 nan 0.000 0.433 431 D N 0.316 120.072 120.400 -1.074 0.000 2.092 431 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 431 D C 2.148 178.160 176.300 -0.480 0.000 0.994 431 D CA 1.713 55.096 54.000 -1.028 0.000 0.828 431 D CB 0.091 40.080 40.800 -1.352 0.000 0.963 431 D HN 0.236 nan 8.370 nan 0.000 0.450 432 A N 0.042 122.615 122.820 -0.413 0.000 1.908 432 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 432 A C 2.184 179.654 177.584 -0.189 0.000 1.181 432 A CA 2.155 54.043 52.037 -0.250 0.000 0.627 432 A CB -0.933 17.939 19.000 -0.214 0.000 0.818 432 A HN 0.339 nan 8.150 nan 0.000 0.445 433 E N 0.488 120.571 120.200 -0.196 0.000 2.058 433 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 433 E C 1.871 178.404 176.600 -0.112 0.000 0.997 433 E CA 1.998 58.316 56.400 -0.136 0.000 0.801 433 E CB -0.355 29.267 29.700 -0.129 0.000 0.746 433 E HN 0.725 nan 8.360 nan 0.000 0.450 434 E N -0.432 119.693 120.200 -0.125 0.000 2.072 434 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 434 E C 2.215 178.770 176.600 -0.075 0.000 0.985 434 E CA 1.334 57.686 56.400 -0.080 0.000 0.801 434 E CB -0.047 29.621 29.700 -0.053 0.000 0.750 434 E HN 0.146 nan 8.360 nan 0.000 0.452 435 V N 1.279 121.135 119.914 -0.097 0.000 2.343 435 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 435 V C 2.303 178.355 176.094 -0.070 0.000 1.051 435 V CA 1.884 64.136 62.300 -0.081 0.000 1.036 435 V CB -0.430 31.336 31.823 -0.095 0.000 0.654 435 V HN 0.198 nan 8.190 nan 0.000 0.451 436 S N -0.125 115.529 115.700 -0.077 0.000 2.356 436 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 436 S C 1.826 176.394 174.600 -0.053 0.000 1.032 436 S CA 1.223 59.385 58.200 -0.063 0.000 1.005 436 S CB -0.352 62.808 63.200 -0.067 0.000 0.867 436 S HN 0.559 nan 8.310 nan 0.000 0.449 437 R N 0.835 121.304 120.500 -0.053 0.000 2.369 437 R HA 0.036 4.376 4.340 -0.000 0.000 0.200 437 R C 1.675 177.951 176.300 -0.040 0.000 1.046 437 R CA 0.622 56.696 56.100 -0.043 0.000 1.057 437 R CB -0.336 29.939 30.300 -0.042 0.000 0.888 437 R HN 0.457 nan 8.270 nan 0.000 0.474 438 G N -0.399 108.375 108.800 -0.043 0.000 2.759 438 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.208 438 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.208 438 G C 1.176 176.052 174.900 -0.039 0.000 1.076 438 G CA -0.288 44.788 45.100 -0.041 0.000 0.789 438 G HN 0.051 nan 8.290 nan 0.000 0.546 439 Q N 1.414 121.191 119.800 -0.040 0.000 2.061 439 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 439 Q C 2.879 178.860 176.000 -0.032 0.000 0.984 439 Q CA 1.617 57.398 55.803 -0.037 0.000 0.846 439 Q CB -0.891 27.825 28.738 -0.038 0.000 0.902 439 Q HN 0.408 nan 8.270 nan 0.000 0.421 440 A N 1.271 124.073 122.820 -0.031 0.000 1.986 440 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 440 A C 2.216 179.785 177.584 -0.026 0.000 1.171 440 A CA 2.217 54.238 52.037 -0.027 0.000 0.640 440 A CB -0.456 18.529 19.000 -0.025 0.000 0.811 440 A HN 0.484 nan 8.150 nan 0.000 0.451 441 S N -2.814 112.869 115.700 -0.028 0.000 2.556 441 S HA 0.421 4.891 4.470 -0.000 0.000 0.216 441 S C 1.334 175.916 174.600 -0.029 0.000 0.970 441 S CA 0.948 59.132 58.200 -0.027 0.000 0.912 441 S CB 0.089 63.271 63.200 -0.030 0.000 0.790 441 S HN 1.916 nan 8.310 nan 0.000 0.504 442 G N 1.305 110.087 108.800 -0.030 0.000 2.143 442 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.249 442 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.249 442 G C -0.117 174.762 174.900 -0.035 0.000 0.981 442 G CA 0.237 45.318 45.100 -0.031 0.000 0.665 442 G HN 0.579 nan 8.290 nan 0.000 0.528 443 K N -0.154 120.224 120.400 -0.037 0.000 2.095 443 K HA 0.478 4.798 4.320 -0.000 0.000 0.252 443 K C -1.566 175.010 176.600 -0.040 0.000 0.977 443 K CA -1.898 54.365 56.287 -0.039 0.000 0.900 443 K CB 1.496 33.971 32.500 -0.042 0.000 1.060 443 K HN -0.125 nan 8.250 nan 0.000 0.449 444 P HA -0.138 nan 4.420 nan 0.000 0.220 444 P C -0.766 176.509 177.300 -0.041 0.000 1.148 444 P CA 1.063 64.138 63.100 -0.042 0.000 0.803 444 P CB 0.245 31.920 31.700 -0.041 0.000 0.782 445 R N -3.308 117.169 120.500 -0.039 0.000 3.012 445 R HA 0.453 4.793 4.340 -0.000 0.000 0.287 445 R C -1.847 174.432 176.300 -0.035 0.000 0.990 445 R CA -0.833 55.244 56.100 -0.037 0.000 0.839 445 R CB 0.229 30.513 30.300 -0.027 0.000 1.317 445 R HN -0.370 nan 8.270 nan 0.000 0.518 446 E N 1.664 121.844 120.200 -0.033 0.000 2.331 446 E HA 0.292 4.642 4.350 -0.000 0.000 0.243 446 E C -1.242 175.346 176.600 -0.019 0.000 0.925 446 E CA -0.632 55.749 56.400 -0.032 0.000 0.760 446 E CB 1.170 30.849 29.700 -0.035 0.000 1.254 446 E HN 0.435 nan 8.360 nan 0.000 0.419 447 K N 3.094 123.489 120.400 -0.007 0.000 2.527 447 K HA 0.029 4.349 4.320 -0.000 0.000 0.278 447 K C -0.003 176.609 176.600 0.021 0.000 0.981 447 K CA -0.043 56.257 56.287 0.022 0.000 1.009 447 K CB 0.488 33.009 32.500 0.035 0.000 0.895 447 K HN 0.430 nan 8.250 nan 0.000 0.493 448 L N 4.817 126.064 121.223 0.040 0.000 2.319 448 L HA 0.073 4.413 4.340 -0.000 0.000 0.280 448 L C 1.157 178.056 176.870 0.048 0.000 1.099 448 L CA 0.504 55.362 54.840 0.029 0.000 0.828 448 L CB 0.718 42.792 42.059 0.025 0.000 1.150 448 L HN 0.698 nan 8.230 nan 0.000 0.442 449 L N 1.353 122.594 121.223 0.029 0.000 2.537 449 L HA 0.156 4.495 4.340 -0.000 0.000 0.224 449 L C 0.415 177.300 176.870 0.024 0.000 1.065 449 L CA 0.011 54.870 54.840 0.032 0.000 0.860 449 L CB 0.147 42.214 42.059 0.014 0.000 1.086 449 L HN 0.541 nan 8.230 nan 0.000 0.482 450 D N 1.101 121.511 120.400 0.017 0.000 2.336 450 D HA 0.127 4.767 4.640 -0.000 0.000 0.249 450 D C -1.685 174.620 176.300 0.009 0.000 1.213 450 D CA -1.846 52.162 54.000 0.012 0.000 0.870 450 D CB 1.526 42.332 40.800 0.009 0.000 1.076 450 D HN -0.148 nan 8.370 nan 0.000 0.483 451 P HA -0.187 nan 4.420 nan 0.000 0.217 451 P C 1.066 178.362 177.300 -0.007 0.000 1.148 451 P CA 0.908 64.010 63.100 0.003 0.000 0.828 451 P CB 0.290 31.993 31.700 0.005 0.000 0.783 452 Q N 0.051 119.851 119.800 -0.001 0.000 2.046 452 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 452 Q C 2.134 178.126 176.000 -0.012 0.000 0.975 452 Q CA 1.669 57.471 55.803 -0.002 0.000 0.836 452 Q CB -0.804 27.939 28.738 0.007 0.000 0.896 452 Q HN 0.283 nan 8.270 nan 0.000 0.428 453 E N -1.095 119.099 120.200 -0.011 0.000 2.268 453 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 453 E C 1.658 178.238 176.600 -0.034 0.000 0.995 453 E CA 0.743 57.132 56.400 -0.018 0.000 0.836 453 E CB 0.021 29.714 29.700 -0.012 0.000 0.763 453 E HN 0.410 nan 8.360 nan 0.000 0.491 454 M N 0.021 119.600 119.600 -0.036 0.000 2.098 454 M HA -0.093 4.387 4.480 -0.000 0.000 0.262 454 M C 2.294 178.527 176.300 -0.111 0.000 1.072 454 M CA 1.149 56.416 55.300 -0.055 0.000 1.133 454 M CB -0.176 32.408 32.600 -0.027 0.000 1.344 454 M HN 0.157 nan 8.290 nan 0.000 0.414 455 L N -0.318 120.835 121.223 -0.116 0.000 2.079 455 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 455 L C 2.727 179.518 176.870 -0.132 0.000 1.081 455 L CA 1.269 56.002 54.840 -0.179 0.000 0.752 455 L CB -0.754 41.244 42.059 -0.102 0.000 0.896 455 L HN 0.341 nan 8.230 nan 0.000 0.433 456 R N 0.781 121.240 120.500 -0.069 0.000 2.091 456 R HA -0.193 4.146 4.340 -0.000 0.000 0.238 456 R C 2.261 178.531 176.300 -0.049 0.000 1.136 456 R CA 1.553 57.630 56.100 -0.039 0.000 0.959 456 R CB -0.289 29.997 30.300 -0.022 0.000 0.856 456 R HN 0.338 nan 8.270 nan 0.000 0.437 457 L N 0.669 121.850 121.223 -0.071 0.000 2.275 457 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 457 L C 1.726 178.542 176.870 -0.090 0.000 1.119 457 L CA 0.699 55.494 54.840 -0.075 0.000 0.790 457 L CB 0.015 42.023 42.059 -0.085 0.000 0.919 457 L HN 0.265 nan 8.230 nan 0.000 0.443 458 L N -1.200 119.942 121.223 -0.135 0.000 2.607 458 L HA 0.279 4.619 4.340 -0.000 0.000 0.228 458 L C 1.554 178.429 176.870 0.009 0.000 1.123 458 L CA 0.451 55.203 54.840 -0.147 0.000 0.890 458 L CB -0.170 41.618 42.059 -0.452 0.000 1.103 458 L HN 0.355 nan 8.230 nan 0.000 0.468 459 G N -0.640 108.162 108.800 0.002 0.000 2.184 459 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 459 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 459 G C 0.251 175.162 174.900 0.019 0.000 0.975 459 G CA 0.258 45.391 45.100 0.055 0.000 0.642 459 G HN 0.411 nan 8.290 nan 0.000 0.536 460 H N 0.000 118.810 119.070 -0.434 0.000 2.539 460 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 460 H CA 0.000 55.502 56.048 -0.910 0.000 1.023 460 H CB 0.000 29.137 29.762 -1.042 0.000 1.292 460 H HN 0.000 nan 8.280 nan 0.000 0.496