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 3ju8_1_B DATA FIRST_RESID 3 DATA SEQUENCE STHYIAGQWL AGQGETLESL DPVGQGVVWS GRGADATQVD AAVCAAREAF DATA SEQUENCE PAWARRPLEQ RIELLERFAA TLKSRADELA RVIGEETGKP LWESATEVTS DATA SEQUENCE XVNKVAISVQ AFRERTGEKS GPLADATAVL RHKPHGVVAV FGPYNFPGHL DATA SEQUENCE PNGHIVPALL AGNCVVFKPS ELTPKVAELT LKAWIQAGLP AGVLNLVQGG DATA SEQUENCE RETGVALAAH RGLDGLFFTG SSRTGNLLHS QFGGQPQKIL ALEXGGNNPL DATA SEQUENCE VVEEVADLDA AVYTIIQSAF ISAGQRCTCA RRLLVPQGAW GDALLARLVA DATA SEQUENCE VSATLRVGRF DEQPAPFXGA VISLSAAEHL LKAQEHLIGK GAQPLLAXTQ DATA SEQUENCE PIDGAALLTP GILDVSAVAE RPDEEFFGPL LQVIRYSDFA AAIREANATQ DATA SEQUENCE YGLAAGLLSD SRERFEQFLV ESRAGIVNWN KQLTGAASSA PFGGIGASGN DATA SEQUENCE HRPSAYYAAD YCAYPVASLE SPSVSLPATL TPGI 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.622 174.600 0.036 0.000 1.055 3 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 3 S CB 0.000 63.008 63.200 -0.320 0.000 0.593 4 T N 0.961 115.606 114.554 0.151 0.000 3.044 4 T HA 0.179 4.516 4.350 -0.022 0.000 0.237 4 T C 0.364 175.126 174.700 0.104 0.000 1.001 4 T CA 0.684 62.807 62.100 0.039 0.000 1.160 4 T CB 0.001 68.678 68.868 -0.319 0.000 0.889 4 T HN 0.562 nan 8.240 nan 0.000 0.442 5 H N -0.230 119.098 119.070 0.430 0.000 2.502 5 H HA 0.441 4.983 4.556 -0.022 0.000 0.338 5 H C -1.519 173.890 175.328 0.135 0.000 1.155 5 H CA -0.686 55.512 56.048 0.249 0.000 1.237 5 H CB 1.181 31.006 29.762 0.106 0.000 1.534 5 H HN 0.177 nan 8.280 nan 0.000 0.523 6 Y N 2.185 122.353 120.300 -0.220 0.000 2.376 6 Y HA 0.426 4.963 4.550 -0.022 0.000 0.326 6 Y C -1.203 174.495 175.900 -0.337 0.000 0.970 6 Y CA -0.650 57.069 58.100 -0.634 0.000 1.248 6 Y CB 0.313 38.066 38.460 -1.178 0.000 1.117 6 Y HN 0.458 nan 8.280 nan 0.000 0.476 7 I N 5.525 125.745 120.570 -0.583 0.000 2.533 7 I HA 0.491 4.648 4.170 -0.022 0.000 0.290 7 I C 0.251 176.075 176.117 -0.489 0.000 1.056 7 I CA -0.947 60.103 61.300 -0.416 0.000 1.057 7 I CB 2.060 39.933 38.000 -0.212 0.000 1.240 7 I HN 0.789 nan 8.210 nan 0.000 0.423 8 A N 4.470 127.038 122.820 -0.420 0.000 2.783 8 A HA -0.087 4.220 4.320 -0.022 0.000 0.292 8 A C 1.315 178.655 177.584 -0.406 0.000 1.495 8 A CA 1.157 52.999 52.037 -0.325 0.000 0.787 8 A CB -1.918 16.958 19.000 -0.207 0.000 1.017 8 A HN 2.039 nan 8.150 nan 0.000 0.516 9 G N -2.797 105.570 108.800 -0.723 0.000 2.157 9 G HA2 -0.153 3.794 3.960 -0.022 0.000 0.248 9 G HA3 -0.153 3.794 3.960 -0.022 0.000 0.248 9 G C -0.171 174.407 174.900 -0.536 0.000 0.979 9 G CA 0.911 45.642 45.100 -0.615 0.000 0.650 9 G HN 1.672 nan 8.290 nan 0.000 0.529 10 Q N -1.675 117.711 119.800 -0.689 0.000 2.456 10 Q HA 0.563 4.890 4.340 -0.022 0.000 0.284 10 Q C -0.893 174.961 176.000 -0.243 0.000 1.061 10 Q CA -1.059 54.595 55.803 -0.247 0.000 0.799 10 Q CB 1.513 30.211 28.738 -0.068 0.000 1.445 10 Q HN 0.248 nan 8.270 nan 0.000 0.411 11 W N 2.331 123.725 121.300 0.156 0.000 2.303 11 W HA 0.604 5.251 4.660 -0.022 0.000 0.334 11 W C -0.091 176.482 176.519 0.091 0.000 1.197 11 W CA -0.275 57.179 57.345 0.182 0.000 1.262 11 W CB 0.671 30.243 29.460 0.186 0.000 1.153 11 W HN 0.515 nan 8.180 nan 0.000 0.596 12 L N 0.192 121.636 121.223 0.369 0.000 2.568 12 L HA 0.957 5.284 4.340 -0.022 0.000 0.257 12 L C -0.601 176.410 176.870 0.234 0.000 1.024 12 L CA -1.616 53.365 54.840 0.235 0.000 0.854 12 L CB 1.056 43.211 42.059 0.160 0.000 1.460 12 L HN 0.425 nan 8.230 nan 0.000 0.409 13 A N 0.330 123.248 122.820 0.162 0.000 2.351 13 A HA 0.735 5.041 4.320 -0.022 0.000 0.257 13 A C 0.500 178.223 177.584 0.232 0.000 1.087 13 A CA 0.249 52.362 52.037 0.127 0.000 0.798 13 A CB 0.403 19.441 19.000 0.065 0.000 1.033 13 A HN 1.115 nan 8.150 nan 0.000 0.488 14 G N -0.974 107.970 108.800 0.241 0.000 2.507 14 G HA2 0.452 4.399 3.960 -0.022 0.000 0.271 14 G HA3 0.452 4.399 3.960 -0.022 0.000 0.271 14 G C 0.139 175.139 174.900 0.167 0.000 1.189 14 G CA -0.272 45.055 45.100 0.379 0.000 0.859 14 G HN 0.765 nan 8.290 nan 0.000 0.542 15 Q N 0.031 119.899 119.800 0.113 0.000 2.214 15 Q HA 0.191 4.518 4.340 -0.022 0.000 0.229 15 Q C 1.420 177.451 176.000 0.050 0.000 0.835 15 Q CA -0.018 55.821 55.803 0.060 0.000 0.953 15 Q CB 1.164 29.922 28.738 0.032 0.000 1.131 15 Q HN 0.624 nan 8.270 nan 0.000 0.501 16 G N 0.395 109.235 108.800 0.067 0.000 2.543 16 G HA2 0.143 4.090 3.960 -0.022 0.000 0.267 16 G HA3 0.143 4.090 3.960 -0.022 0.000 0.267 16 G C -0.129 174.810 174.900 0.065 0.000 1.406 16 G CA -0.444 44.690 45.100 0.057 0.000 1.048 16 G HN -0.044 nan 8.290 nan 0.000 0.548 17 E N 0.431 120.668 120.200 0.062 0.000 2.384 17 E HA 0.148 4.485 4.350 -0.022 0.000 0.266 17 E C 0.419 177.062 176.600 0.071 0.000 1.012 17 E CA 0.126 56.560 56.400 0.057 0.000 0.901 17 E CB 0.584 30.315 29.700 0.052 0.000 0.967 17 E HN 0.253 nan 8.360 nan 0.000 0.435 18 T N 3.138 117.723 114.554 0.051 0.000 2.934 18 T HA 0.124 4.461 4.350 -0.022 0.000 0.306 18 T C 0.101 174.847 174.700 0.076 0.000 1.042 18 T CA 0.005 62.132 62.100 0.045 0.000 1.145 18 T CB 0.106 68.981 68.868 0.012 0.000 0.982 18 T HN 0.196 nan 8.240 nan 0.000 0.544 19 L N 3.378 124.674 121.223 0.121 0.000 2.365 19 L HA 0.593 4.920 4.340 -0.022 0.000 0.273 19 L C -0.624 176.380 176.870 0.223 0.000 1.000 19 L CA -0.338 54.616 54.840 0.188 0.000 0.819 19 L CB 1.847 44.075 42.059 0.281 0.000 1.284 19 L HN 0.615 nan 8.230 nan 0.000 0.418 20 E N 2.104 122.412 120.200 0.179 0.000 2.248 20 E HA 0.581 4.918 4.350 -0.022 0.000 0.267 20 E C -1.185 175.525 176.600 0.183 0.000 0.877 20 E CA -0.714 55.797 56.400 0.186 0.000 0.759 20 E CB 1.966 31.717 29.700 0.086 0.000 1.182 20 E HN 0.710 nan 8.360 nan 0.000 0.418 21 S N 2.915 118.751 115.700 0.226 0.000 2.509 21 S HA 0.641 5.097 4.470 -0.022 0.000 0.297 21 S C -0.424 174.224 174.600 0.080 0.000 1.118 21 S CA -0.834 57.431 58.200 0.109 0.000 1.074 21 S CB 0.730 63.962 63.200 0.053 0.000 1.038 21 S HN 0.374 nan 8.310 nan 0.000 0.498 22 L N 2.027 123.270 121.223 0.033 0.000 2.365 22 L HA 0.465 4.792 4.340 -0.022 0.000 0.273 22 L C -0.284 176.590 176.870 0.006 0.000 1.000 22 L CA -1.034 53.821 54.840 0.024 0.000 0.819 22 L CB 1.628 43.697 42.059 0.017 0.000 1.284 22 L HN 0.708 nan 8.230 nan 0.000 0.418 23 D N 4.356 124.764 120.400 0.013 0.000 2.520 23 D HA 0.002 4.629 4.640 -0.022 0.000 0.243 23 D C -1.724 174.584 176.300 0.013 0.000 1.160 23 D CA -1.230 52.777 54.000 0.011 0.000 0.877 23 D CB 1.442 42.267 40.800 0.041 0.000 1.150 23 D HN 0.207 nan 8.370 nan 0.000 0.494 24 P HA -0.118 nan 4.420 nan 0.000 0.221 24 P C 1.184 178.496 177.300 0.020 0.000 1.145 24 P CA 0.483 63.584 63.100 0.002 0.000 0.795 24 P CB 0.404 32.100 31.700 -0.007 0.000 0.775 25 V N -0.712 119.226 119.914 0.040 0.000 2.398 25 V HA 0.088 4.194 4.120 -0.022 0.000 0.236 25 V C 2.430 178.547 176.094 0.038 0.000 1.054 25 V CA 2.176 64.502 62.300 0.044 0.000 1.060 25 V CB -1.558 30.304 31.823 0.064 0.000 0.707 25 V HN 0.052 nan 8.190 nan 0.000 0.480 26 G N -1.441 107.387 108.800 0.047 0.000 2.880 26 G HA2 0.023 3.970 3.960 -0.022 0.000 0.209 26 G HA3 0.023 3.970 3.960 -0.022 0.000 0.209 26 G C 0.763 175.681 174.900 0.031 0.000 1.157 26 G CA 0.485 45.608 45.100 0.039 0.000 0.779 26 G HN 0.422 nan 8.290 nan 0.000 0.539 27 Q N -1.582 118.235 119.800 0.029 0.000 2.362 27 Q HA -0.151 4.176 4.340 -0.022 0.000 0.220 27 Q C 1.036 177.051 176.000 0.025 0.000 0.713 27 Q CA 0.939 56.756 55.803 0.023 0.000 1.345 27 Q CB -2.410 26.340 28.738 0.018 0.000 1.570 27 Q HN 0.648 nan 8.270 nan 0.000 0.701 28 G N 0.509 109.327 108.800 0.030 0.000 2.491 28 G HA2 0.327 4.274 3.960 -0.022 0.000 0.238 28 G HA3 0.327 4.274 3.960 -0.022 0.000 0.238 28 G C 0.289 175.208 174.900 0.032 0.000 1.277 28 G CA -0.084 45.034 45.100 0.029 0.000 0.851 28 G HN 0.064 nan 8.290 nan 0.000 0.573 29 V N 2.435 122.365 119.914 0.028 0.000 2.479 29 V HA -0.002 4.105 4.120 -0.022 0.000 0.281 29 V C 1.264 177.387 176.094 0.048 0.000 1.031 29 V CA -0.121 62.201 62.300 0.037 0.000 1.038 29 V CB 1.243 33.078 31.823 0.019 0.000 0.981 29 V HN 0.543 nan 8.190 nan 0.000 0.478 30 V N 4.614 124.575 119.914 0.079 0.000 3.125 30 V HA 0.198 4.305 4.120 -0.022 0.000 0.249 30 V C 0.149 176.353 176.094 0.183 0.000 1.113 30 V CA 0.550 62.906 62.300 0.093 0.000 1.106 30 V CB 0.260 32.121 31.823 0.063 0.000 0.768 30 V HN 0.905 nan 8.190 nan 0.000 0.468 31 W N -0.563 120.716 121.300 -0.036 0.000 3.419 31 W HA 0.557 5.204 4.660 -0.022 0.000 0.298 31 W C -0.879 175.619 176.519 -0.035 0.000 1.260 31 W CA -0.092 57.229 57.345 -0.041 0.000 1.199 31 W CB 1.489 30.924 29.460 -0.043 0.000 1.349 31 W HN -0.076 nan 8.180 nan 0.000 0.557 32 S N 3.705 119.023 115.700 -0.637 0.000 2.579 32 S HA 0.984 5.440 4.470 -0.022 0.000 0.272 32 S C -0.735 173.126 174.600 -1.232 0.000 1.141 32 S CA -0.238 57.597 58.200 -0.609 0.000 0.843 32 S CB 1.788 64.837 63.200 -0.252 0.000 1.122 32 S HN 1.596 nan 8.310 nan 0.000 0.468 33 G N 0.690 109.040 108.800 -0.750 0.000 2.368 33 G HA2 0.479 4.426 3.960 -0.022 0.000 0.293 33 G HA3 0.479 4.426 3.960 -0.022 0.000 0.293 33 G C -1.949 172.880 174.900 -0.118 0.000 1.467 33 G CA -1.084 43.691 45.100 -0.542 0.000 0.804 33 G HN 0.760 nan 8.290 nan 0.000 0.535 34 R N -0.175 120.313 120.500 -0.020 0.000 2.357 34 R HA 0.527 4.854 4.340 -0.022 0.000 0.296 34 R C 1.047 177.504 176.300 0.262 0.000 1.052 34 R CA 0.106 56.269 56.100 0.103 0.000 0.988 34 R CB 1.381 31.735 30.300 0.091 0.000 1.025 34 R HN 0.723 nan 8.270 nan 0.000 0.469 35 G N 1.031 109.978 108.800 0.245 0.000 2.664 35 G HA2 0.269 4.216 3.960 -0.022 0.000 0.242 35 G HA3 0.269 4.216 3.960 -0.022 0.000 0.242 35 G C -0.368 174.667 174.900 0.225 0.000 1.225 35 G CA -0.512 44.763 45.100 0.292 0.000 0.849 35 G HN 0.673 nan 8.290 nan 0.000 0.581 36 A N 1.147 123.967 122.820 0.000 0.000 2.404 36 A HA 0.471 4.777 4.320 -0.022 0.000 0.273 36 A C 0.596 178.108 177.584 -0.120 0.000 1.144 36 A CA -0.242 51.581 52.037 -0.356 0.000 0.806 36 A CB 0.060 18.717 19.000 -0.571 0.000 1.080 36 A HN 0.842 nan 8.150 nan 0.000 0.509 37 D N 2.352 122.702 120.400 -0.083 0.000 2.414 37 D HA 0.382 5.009 4.640 -0.022 0.000 0.251 37 D C 1.209 177.486 176.300 -0.039 0.000 1.252 37 D CA 0.092 54.071 54.000 -0.035 0.000 0.999 37 D CB 0.463 41.256 40.800 -0.012 0.000 1.093 37 D HN 0.370 nan 8.370 nan 0.000 0.515 38 A N -0.242 122.570 122.820 -0.013 0.000 1.940 38 A HA -0.172 4.134 4.320 -0.022 0.000 0.219 38 A C 2.159 179.744 177.584 0.001 0.000 1.176 38 A CA 2.277 54.315 52.037 0.002 0.000 0.631 38 A CB -1.344 17.659 19.000 0.005 0.000 0.814 38 A HN 0.678 nan 8.150 nan 0.000 0.446 39 T N 0.078 114.625 114.554 -0.011 0.000 2.746 39 T HA -0.184 4.153 4.350 -0.022 0.000 0.267 39 T C 2.044 176.726 174.700 -0.030 0.000 1.039 39 T CA 1.827 63.920 62.100 -0.012 0.000 1.142 39 T CB -0.252 68.608 68.868 -0.014 0.000 0.866 39 T HN 0.670 nan 8.240 nan 0.000 0.444 40 Q N 0.135 119.897 119.800 -0.063 0.000 2.123 40 Q HA -0.002 4.325 4.340 -0.022 0.000 0.199 40 Q C 2.571 178.497 176.000 -0.123 0.000 0.966 40 Q CA 0.803 56.541 55.803 -0.108 0.000 0.845 40 Q CB -0.283 28.345 28.738 -0.183 0.000 0.907 40 Q HN 0.326 nan 8.270 nan 0.000 0.439 41 V N 1.741 121.593 119.914 -0.103 0.000 2.287 41 V HA -0.284 3.822 4.120 -0.022 0.000 0.248 41 V C 1.622 177.670 176.094 -0.077 0.000 1.053 41 V CA 2.029 64.276 62.300 -0.087 0.000 1.027 41 V CB -0.528 31.276 31.823 -0.032 0.000 0.646 41 V HN 0.333 nan 8.190 nan 0.000 0.447 42 D N 0.368 120.776 120.400 0.014 0.000 2.116 42 D HA -0.196 4.431 4.640 -0.022 0.000 0.193 42 D C 2.217 178.491 176.300 -0.044 0.000 0.998 42 D CA 1.891 55.933 54.000 0.071 0.000 0.836 42 D CB -0.387 40.477 40.800 0.108 0.000 0.951 42 D HN 0.457 nan 8.370 nan 0.000 0.449 43 A N 0.795 123.580 122.820 -0.058 0.000 1.902 43 A HA -0.042 4.265 4.320 -0.022 0.000 0.217 43 A C 2.314 179.827 177.584 -0.119 0.000 1.181 43 A CA 2.325 54.316 52.037 -0.077 0.000 0.623 43 A CB -0.713 18.244 19.000 -0.073 0.000 0.818 43 A HN 0.249 nan 8.150 nan 0.000 0.443 44 A N -0.509 122.225 122.820 -0.144 0.000 1.877 44 A HA -0.022 4.285 4.320 -0.022 0.000 0.216 44 A C 2.229 179.699 177.584 -0.191 0.000 1.186 44 A CA 1.862 53.799 52.037 -0.167 0.000 0.620 44 A CB -0.986 17.916 19.000 -0.163 0.000 0.822 44 A HN 0.411 nan 8.150 nan 0.000 0.443 45 V N -0.976 118.783 119.914 -0.259 0.000 2.343 45 V HA -0.299 3.808 4.120 -0.022 0.000 0.247 45 V C 2.690 178.661 176.094 -0.206 0.000 1.051 45 V CA 1.850 63.956 62.300 -0.323 0.000 1.036 45 V CB -1.180 30.219 31.823 -0.707 0.000 0.654 45 V HN 0.810 nan 8.190 nan 0.000 0.451 46 C N 0.472 119.680 119.300 -0.152 0.000 2.413 46 C HA -0.136 4.311 4.460 -0.022 0.000 0.277 46 C C 3.057 178.003 174.990 -0.074 0.000 1.265 46 C CA 0.943 59.914 59.018 -0.077 0.000 1.752 46 C CB -1.227 26.484 27.740 -0.047 0.000 1.998 46 C HN 0.582 nan 8.230 nan 0.000 0.489 47 A N 0.353 123.111 122.820 -0.103 0.000 1.873 47 A HA 0.140 4.447 4.320 -0.022 0.000 0.215 47 A C 2.510 180.037 177.584 -0.095 0.000 1.186 47 A CA 2.191 54.163 52.037 -0.109 0.000 0.616 47 A CB -1.237 17.670 19.000 -0.155 0.000 0.823 47 A HN 0.849 nan 8.150 nan 0.000 0.442 48 A N -0.193 122.561 122.820 -0.109 0.000 1.902 48 A HA -0.169 4.138 4.320 -0.022 0.000 0.217 48 A C 2.179 179.760 177.584 -0.005 0.000 1.181 48 A CA 2.209 54.195 52.037 -0.085 0.000 0.623 48 A CB -0.469 18.459 19.000 -0.120 0.000 0.818 48 A HN 0.460 nan 8.150 nan 0.000 0.443 49 R N 0.362 120.850 120.500 -0.019 0.000 2.091 49 R HA -0.163 4.164 4.340 -0.022 0.000 0.238 49 R C 2.037 178.397 176.300 0.101 0.000 1.136 49 R CA 2.235 58.361 56.100 0.043 0.000 0.959 49 R CB -0.643 29.661 30.300 0.006 0.000 0.856 49 R HN 0.702 nan 8.270 nan 0.000 0.437 50 E N -0.931 119.294 120.200 0.043 0.000 2.106 50 E HA -0.124 4.212 4.350 -0.022 0.000 0.192 50 E C 1.517 178.151 176.600 0.056 0.000 0.984 50 E CA 1.114 57.538 56.400 0.040 0.000 0.806 50 E CB -0.137 29.563 29.700 -0.001 0.000 0.750 50 E HN 0.462 nan 8.360 nan 0.000 0.458 51 A N 0.244 123.094 122.820 0.051 0.000 2.067 51 A HA -0.060 4.246 4.320 -0.022 0.000 0.217 51 A C 1.795 179.468 177.584 0.148 0.000 1.156 51 A CA 0.416 52.486 52.037 0.055 0.000 0.683 51 A CB -0.615 18.368 19.000 -0.029 0.000 0.808 51 A HN 0.486 nan 8.150 nan 0.000 0.455 52 F N 1.876 121.856 119.950 0.051 0.000 2.069 52 F HA -0.068 4.446 4.527 -0.022 0.000 0.298 52 F C -0.779 175.102 175.800 0.135 0.000 1.113 52 F CA 1.828 59.895 58.000 0.112 0.000 1.214 52 F CB -1.315 37.733 39.000 0.080 0.000 0.978 52 F HN 0.141 nan 8.300 nan 0.000 0.474 53 P HA -0.193 nan 4.420 nan 0.000 0.215 53 P C 1.589 178.748 177.300 -0.234 0.000 1.157 53 P CA 2.704 65.603 63.100 -0.334 0.000 0.874 53 P CB -0.372 31.274 31.700 -0.090 0.000 0.790 54 A N -1.382 121.393 122.820 -0.074 0.000 1.929 54 A HA -0.169 4.138 4.320 -0.022 0.000 0.216 54 A C 2.228 179.823 177.584 0.018 0.000 1.176 54 A CA 0.982 53.006 52.037 -0.021 0.000 0.628 54 A CB -1.847 17.174 19.000 0.035 0.000 0.816 54 A HN 0.301 nan 8.150 nan 0.000 0.444 55 W N 0.746 121.961 121.300 -0.141 0.000 2.379 55 W HA -0.148 4.499 4.660 -0.022 0.000 0.307 55 W C 2.214 178.643 176.519 -0.151 0.000 1.200 55 W CA 1.654 58.935 57.345 -0.106 0.000 1.297 55 W CB -0.154 29.278 29.460 -0.046 0.000 1.140 55 W HN 0.410 nan 8.180 nan 0.000 0.507 56 A N 0.813 123.476 122.820 -0.262 0.000 1.972 56 A HA -0.205 4.102 4.320 -0.022 0.000 0.219 56 A C 2.009 179.406 177.584 -0.310 0.000 1.169 56 A CA 1.733 53.547 52.037 -0.372 0.000 0.635 56 A CB -0.844 17.757 19.000 -0.665 0.000 0.810 56 A HN 0.383 nan 8.150 nan 0.000 0.446 57 R N 0.043 120.384 120.500 -0.265 0.000 2.153 57 R HA -0.021 4.306 4.340 -0.022 0.000 0.218 57 R C 1.074 177.269 176.300 -0.176 0.000 1.072 57 R CA 0.370 56.358 56.100 -0.187 0.000 0.990 57 R CB -0.083 30.131 30.300 -0.143 0.000 0.889 57 R HN 0.709 nan 8.270 nan 0.000 0.452 58 R N 1.381 121.751 120.500 -0.217 0.000 2.738 58 R HA 0.188 4.515 4.340 -0.022 0.000 0.268 58 R C -2.451 173.715 176.300 -0.222 0.000 1.062 58 R CA -1.630 54.350 56.100 -0.201 0.000 1.158 58 R CB -0.580 29.597 30.300 -0.206 0.000 1.046 58 R HN -0.149 nan 8.270 nan 0.000 0.493 59 P HA -0.078 nan 4.420 nan 0.000 0.266 59 P C 0.611 177.792 177.300 -0.198 0.000 1.195 59 P CA -0.252 62.761 63.100 -0.144 0.000 0.768 59 P CB 0.441 32.082 31.700 -0.097 0.000 0.838 60 L N 3.602 124.719 121.223 -0.177 0.000 2.043 60 L HA -0.239 4.088 4.340 -0.022 0.000 0.212 60 L C 2.032 178.784 176.870 -0.198 0.000 1.075 60 L CA 2.124 56.829 54.840 -0.225 0.000 0.752 60 L CB -1.036 40.928 42.059 -0.158 0.000 0.891 60 L HN 0.354 nan 8.230 nan 0.000 0.432 61 E N -0.655 119.471 120.200 -0.124 0.000 2.204 61 E HA -0.241 4.095 4.350 -0.022 0.000 0.195 61 E C 2.102 178.654 176.600 -0.081 0.000 0.990 61 E CA 1.453 57.802 56.400 -0.085 0.000 0.821 61 E CB -0.192 29.479 29.700 -0.048 0.000 0.750 61 E HN 0.705 nan 8.360 nan 0.000 0.477 62 Q N -0.411 119.324 119.800 -0.108 0.000 2.123 62 Q HA -0.035 4.292 4.340 -0.022 0.000 0.199 62 Q C 2.288 178.232 176.000 -0.094 0.000 0.966 62 Q CA 1.108 56.862 55.803 -0.082 0.000 0.845 62 Q CB -0.046 28.636 28.738 -0.094 0.000 0.907 62 Q HN 0.240 nan 8.270 nan 0.000 0.439 63 R N 0.352 120.704 120.500 -0.246 0.000 2.075 63 R HA -0.079 4.248 4.340 -0.022 0.000 0.232 63 R C 2.250 178.536 176.300 -0.025 0.000 1.126 63 R CA 1.061 57.014 56.100 -0.245 0.000 0.963 63 R CB -0.329 29.642 30.300 -0.548 0.000 0.858 63 R HN 0.272 nan 8.270 nan 0.000 0.435 64 I N 1.134 121.657 120.570 -0.078 0.000 2.179 64 I HA -0.268 3.889 4.170 -0.022 0.000 0.242 64 I C 2.150 178.292 176.117 0.043 0.000 1.088 64 I CA 1.489 62.775 61.300 -0.022 0.000 1.357 64 I CB -0.292 37.675 38.000 -0.056 0.000 1.051 64 I HN 0.216 nan 8.210 nan 0.000 0.409 65 E N 0.533 120.755 120.200 0.036 0.000 2.085 65 E HA -0.288 4.049 4.350 -0.022 0.000 0.194 65 E C 2.117 178.784 176.600 0.112 0.000 0.994 65 E CA 1.525 57.961 56.400 0.060 0.000 0.801 65 E CB -0.236 29.493 29.700 0.048 0.000 0.743 65 E HN 0.354 nan 8.360 nan 0.000 0.453 66 L N 0.641 121.964 121.223 0.168 0.000 2.017 66 L HA -0.175 4.152 4.340 -0.022 0.000 0.208 66 L C 2.063 179.101 176.870 0.280 0.000 1.073 66 L CA 1.475 56.465 54.840 0.250 0.000 0.745 66 L CB -0.356 41.926 42.059 0.372 0.000 0.894 66 L HN 0.052 nan 8.230 nan 0.000 0.432 67 L N 0.072 121.474 121.223 0.299 0.000 2.079 67 L HA -0.216 4.111 4.340 -0.022 0.000 0.210 67 L C 2.568 179.553 176.870 0.192 0.000 1.081 67 L CA 1.794 56.818 54.840 0.308 0.000 0.752 67 L CB -1.011 41.209 42.059 0.269 0.000 0.896 67 L HN 0.413 nan 8.230 nan 0.000 0.433 68 E N -1.111 119.164 120.200 0.124 0.000 2.106 68 E HA -0.190 4.147 4.350 -0.022 0.000 0.192 68 E C 2.348 178.970 176.600 0.037 0.000 0.984 68 E CA 0.743 57.180 56.400 0.063 0.000 0.806 68 E CB -0.080 29.647 29.700 0.045 0.000 0.750 68 E HN 0.409 nan 8.360 nan 0.000 0.458 69 R N -0.097 120.446 120.500 0.072 0.000 2.092 69 R HA -0.120 4.207 4.340 -0.022 0.000 0.231 69 R C 2.248 178.559 176.300 0.019 0.000 1.119 69 R CA 1.020 57.150 56.100 0.051 0.000 0.970 69 R CB -0.301 30.053 30.300 0.091 0.000 0.864 69 R HN 0.182 nan 8.270 nan 0.000 0.440 70 F N 1.507 121.373 119.950 -0.141 0.000 2.075 70 F HA -0.179 4.335 4.527 -0.022 0.000 0.297 70 F C 2.230 177.840 175.800 -0.318 0.000 1.113 70 F CA 1.436 59.221 58.000 -0.360 0.000 1.218 70 F CB -0.533 37.968 39.000 -0.831 0.000 0.984 70 F HN -0.041 nan 8.300 nan 0.000 0.472 71 A N 0.598 123.171 122.820 -0.411 0.000 1.908 71 A HA -0.085 4.222 4.320 -0.022 0.000 0.218 71 A C 2.416 179.805 177.584 -0.325 0.000 1.181 71 A CA 1.978 53.753 52.037 -0.436 0.000 0.627 71 A CB -1.638 17.252 19.000 -0.183 0.000 0.818 71 A HN 0.571 nan 8.150 nan 0.000 0.445 72 A N -1.255 121.446 122.820 -0.198 0.000 1.969 72 A HA -0.033 4.273 4.320 -0.022 0.000 0.218 72 A C 2.256 179.745 177.584 -0.159 0.000 1.169 72 A CA 2.147 54.101 52.037 -0.138 0.000 0.635 72 A CB -1.000 17.957 19.000 -0.072 0.000 0.810 72 A HN 0.437 nan 8.150 nan 0.000 0.445 73 T N 0.300 114.731 114.554 -0.205 0.000 2.812 73 T HA -0.004 4.333 4.350 -0.022 0.000 0.264 73 T C 1.819 176.377 174.700 -0.237 0.000 1.042 73 T CA 1.135 63.130 62.100 -0.175 0.000 1.140 73 T CB -0.320 68.468 68.868 -0.133 0.000 0.870 73 T HN 0.351 nan 8.240 nan 0.000 0.445 74 L N 0.648 121.617 121.223 -0.423 0.000 2.012 74 L HA -0.171 4.156 4.340 -0.022 0.000 0.210 74 L C 2.723 179.455 176.870 -0.230 0.000 1.073 74 L CA 1.553 56.157 54.840 -0.393 0.000 0.748 74 L CB -0.439 41.265 42.059 -0.592 0.000 0.891 74 L HN 0.222 nan 8.230 nan 0.000 0.431 75 K N -0.036 120.237 120.400 -0.212 0.000 2.032 75 K HA -0.199 4.108 4.320 -0.022 0.000 0.209 75 K C 2.274 178.818 176.600 -0.094 0.000 1.048 75 K CA 1.812 58.020 56.287 -0.132 0.000 0.927 75 K CB -0.064 32.368 32.500 -0.113 0.000 0.712 75 K HN 0.359 nan 8.250 nan 0.000 0.441 76 S N 0.065 115.709 115.700 -0.093 0.000 2.481 76 S HA -0.068 4.389 4.470 -0.022 0.000 0.231 76 S C 1.342 175.912 174.600 -0.050 0.000 0.996 76 S CA 0.529 58.693 58.200 -0.060 0.000 0.942 76 S CB -0.072 63.098 63.200 -0.050 0.000 0.768 76 S HN 0.266 nan 8.310 nan 0.000 0.520 77 R N 0.323 120.783 120.500 -0.066 0.000 2.586 77 R HA 0.479 4.806 4.340 -0.022 0.000 0.336 77 R C 1.757 178.031 176.300 -0.043 0.000 1.060 77 R CA 0.391 56.464 56.100 -0.046 0.000 1.079 77 R CB 0.064 30.337 30.300 -0.045 0.000 1.317 77 R HN 0.462 nan 8.270 nan 0.000 0.568 78 A N 1.333 124.124 122.820 -0.048 0.000 1.902 78 A HA -0.194 4.113 4.320 -0.022 0.000 0.217 78 A C 1.388 178.963 177.584 -0.014 0.000 1.181 78 A CA 1.558 53.570 52.037 -0.042 0.000 0.623 78 A CB -0.107 18.867 19.000 -0.042 0.000 0.818 78 A HN 0.140 nan 8.150 nan 0.000 0.443 79 D N -0.675 119.724 120.400 -0.002 0.000 2.117 79 D HA -0.155 4.472 4.640 -0.022 0.000 0.197 79 D C 1.905 178.220 176.300 0.025 0.000 0.987 79 D CA 1.463 55.474 54.000 0.019 0.000 0.829 79 D CB -0.383 40.430 40.800 0.023 0.000 0.961 79 D HN 0.753 nan 8.370 nan 0.000 0.460 80 E N 0.122 120.331 120.200 0.015 0.000 2.051 80 E HA -0.174 4.162 4.350 -0.022 0.000 0.192 80 E C 2.091 178.698 176.600 0.012 0.000 0.991 80 E CA 0.545 56.955 56.400 0.018 0.000 0.799 80 E CB -0.066 29.640 29.700 0.010 0.000 0.748 80 E HN 0.083 nan 8.360 nan 0.000 0.449 81 L N 0.941 122.165 121.223 0.001 0.000 2.093 81 L HA -0.021 4.306 4.340 -0.022 0.000 0.208 81 L C 2.288 179.154 176.870 -0.006 0.000 1.085 81 L CA 2.057 56.895 54.840 -0.002 0.000 0.755 81 L CB -0.764 41.289 42.059 -0.010 0.000 0.904 81 L HN 0.192 nan 8.230 nan 0.000 0.435 82 A N -0.456 122.365 122.820 0.002 0.000 1.908 82 A HA -0.271 4.035 4.320 -0.022 0.000 0.218 82 A C 2.535 180.127 177.584 0.013 0.000 1.181 82 A CA 1.933 53.974 52.037 0.007 0.000 0.627 82 A CB -0.620 18.395 19.000 0.026 0.000 0.818 82 A HN 0.487 nan 8.150 nan 0.000 0.445 83 R N -0.742 119.782 120.500 0.041 0.000 2.075 83 R HA -0.073 4.254 4.340 -0.022 0.000 0.232 83 R C 1.985 178.216 176.300 -0.116 0.000 1.126 83 R CA 1.591 57.733 56.100 0.071 0.000 0.963 83 R CB -0.342 30.029 30.300 0.119 0.000 0.858 83 R HN 0.330 nan 8.270 nan 0.000 0.435 84 V N 0.927 120.792 119.914 -0.082 0.000 2.358 84 V HA -0.241 3.866 4.120 -0.022 0.000 0.246 84 V C 2.233 178.225 176.094 -0.169 0.000 1.047 84 V CA 1.740 63.971 62.300 -0.115 0.000 1.035 84 V CB -0.326 31.472 31.823 -0.042 0.000 0.658 84 V HN 0.332 nan 8.190 nan 0.000 0.452 85 I N 0.670 121.166 120.570 -0.123 0.000 2.163 85 I HA -0.221 3.936 4.170 -0.022 0.000 0.243 85 I C 2.606 178.590 176.117 -0.222 0.000 1.085 85 I CA 1.865 63.092 61.300 -0.122 0.000 1.347 85 I CB -0.986 36.974 38.000 -0.067 0.000 1.044 85 I HN 0.420 nan 8.210 nan 0.000 0.408 86 G N 0.269 108.884 108.800 -0.307 0.000 2.459 86 G HA2 -0.253 3.694 3.960 -0.022 0.000 0.217 86 G HA3 -0.253 3.694 3.960 -0.022 0.000 0.217 86 G C 1.485 175.758 174.900 -1.044 0.000 1.183 86 G CA 0.758 45.547 45.100 -0.519 0.000 0.776 86 G HN 0.414 nan 8.290 nan 0.000 0.552 87 E N -0.014 119.407 120.200 -1.298 0.000 2.070 87 E HA -0.176 4.161 4.350 -0.022 0.000 0.197 87 E C 2.368 178.737 176.600 -0.386 0.000 1.004 87 E CA 1.343 57.211 56.400 -0.887 0.000 0.805 87 E CB -0.099 29.331 29.700 -0.449 0.000 0.744 87 E HN 0.577 nan 8.360 nan 0.000 0.451 88 E N -0.806 119.227 120.200 -0.280 0.000 2.190 88 E HA -0.071 4.266 4.350 -0.022 0.000 0.191 88 E C 1.916 178.446 176.600 -0.117 0.000 0.978 88 E CA 1.343 57.653 56.400 -0.150 0.000 0.839 88 E CB 0.350 29.980 29.700 -0.116 0.000 0.787 88 E HN 0.285 nan 8.360 nan 0.000 0.473 89 T N -4.243 110.233 114.554 -0.129 0.000 3.022 89 T HA 0.262 4.598 4.350 -0.022 0.000 0.250 89 T C 1.505 176.166 174.700 -0.065 0.000 1.060 89 T CA 0.592 62.648 62.100 -0.074 0.000 1.013 89 T CB 0.920 69.750 68.868 -0.063 0.000 0.982 89 T HN 0.226 nan 8.240 nan 0.000 0.508 90 G N 1.681 110.432 108.800 -0.082 0.000 2.205 90 G HA2 -0.281 3.666 3.960 -0.022 0.000 0.261 90 G HA3 -0.281 3.666 3.960 -0.022 0.000 0.261 90 G C 0.090 175.011 174.900 0.035 0.000 0.980 90 G CA 0.216 45.324 45.100 0.013 0.000 0.632 90 G HN 0.680 nan 8.290 nan 0.000 0.533 91 K N 1.619 121.990 120.400 -0.050 0.000 2.484 91 K HA 0.268 4.575 4.320 -0.022 0.000 0.280 91 K C -2.045 174.551 176.600 -0.006 0.000 1.013 91 K CA -1.079 55.147 56.287 -0.101 0.000 1.029 91 K CB 0.510 32.897 32.500 -0.189 0.000 0.902 91 K HN 0.128 nan 8.250 nan 0.000 0.481 92 P HA -0.076 nan 4.420 nan 0.000 0.268 92 P C 0.719 178.057 177.300 0.064 0.000 1.208 92 P CA 0.109 63.269 63.100 0.101 0.000 0.777 92 P CB 0.507 32.336 31.700 0.215 0.000 0.875 93 L N 0.655 121.992 121.223 0.189 0.000 2.079 93 L HA -0.174 4.153 4.340 -0.022 0.000 0.210 93 L C 2.233 179.176 176.870 0.122 0.000 1.081 93 L CA 1.724 56.664 54.840 0.168 0.000 0.752 93 L CB -0.732 41.436 42.059 0.181 0.000 0.896 93 L HN 0.588 nan 8.230 nan 0.000 0.433 94 W N 1.104 122.430 121.300 0.042 0.000 2.363 94 W HA -0.214 4.434 4.660 -0.019 0.000 0.296 94 W C 2.193 178.726 176.519 0.024 0.000 1.212 94 W CA 1.551 58.914 57.345 0.031 0.000 1.260 94 W CB -0.343 29.136 29.460 0.032 0.000 1.131 94 W HN 0.107 nan 8.180 nan 0.000 0.530 95 E N 0.124 119.690 120.200 -1.056 0.000 2.112 95 E HA -0.136 4.201 4.350 -0.022 0.000 0.190 95 E C 2.184 178.512 176.600 -0.453 0.000 0.979 95 E CA 1.399 57.117 56.400 -1.135 0.000 0.814 95 E CB -0.199 28.711 29.700 -1.316 0.000 0.762 95 E HN 0.252 nan 8.360 nan 0.000 0.460 96 S N 0.649 116.179 115.700 -0.283 0.000 2.382 96 S HA -0.161 4.296 4.470 -0.022 0.000 0.228 96 S C 2.024 176.576 174.600 -0.080 0.000 1.027 96 S CA 0.977 59.097 58.200 -0.134 0.000 0.991 96 S CB -0.198 62.961 63.200 -0.069 0.000 0.823 96 S HN 0.441 nan 8.310 nan 0.000 0.469 97 A N 1.589 124.371 122.820 -0.063 0.000 1.940 97 A HA -0.160 4.147 4.320 -0.022 0.000 0.219 97 A C 2.447 180.009 177.584 -0.037 0.000 1.176 97 A CA 2.238 54.262 52.037 -0.022 0.000 0.631 97 A CB -1.454 17.563 19.000 0.028 0.000 0.814 97 A HN 0.657 nan 8.150 nan 0.000 0.446 98 T N -2.121 112.391 114.554 -0.070 0.000 2.867 98 T HA -0.158 4.179 4.350 -0.022 0.000 0.268 98 T C 1.714 176.369 174.700 -0.074 0.000 1.057 98 T CA 1.562 63.626 62.100 -0.061 0.000 1.136 98 T CB -0.333 68.497 68.868 -0.063 0.000 0.874 98 T HN 0.636 nan 8.240 nan 0.000 0.466 99 E N 0.595 120.766 120.200 -0.049 0.000 2.085 99 E HA -0.121 4.216 4.350 -0.022 0.000 0.194 99 E C 2.147 178.737 176.600 -0.017 0.000 0.994 99 E CA 1.315 57.715 56.400 0.000 0.000 0.801 99 E CB -0.236 29.535 29.700 0.117 0.000 0.743 99 E HN 0.435 nan 8.360 nan 0.000 0.453 100 V N 0.668 120.569 119.914 -0.021 0.000 2.343 100 V HA -0.245 3.862 4.120 -0.022 0.000 0.247 100 V C 2.364 178.425 176.094 -0.055 0.000 1.051 100 V CA 2.134 64.415 62.300 -0.032 0.000 1.036 100 V CB -0.736 31.063 31.823 -0.039 0.000 0.654 100 V HN 0.389 nan 8.190 nan 0.000 0.451 101 T N -0.192 114.328 114.554 -0.055 0.000 2.746 101 T HA -0.105 4.232 4.350 -0.022 0.000 0.267 101 T C 1.267 175.927 174.700 -0.067 0.000 1.039 101 T CA 1.172 63.237 62.100 -0.058 0.000 1.142 101 T CB -0.147 68.695 68.868 -0.042 0.000 0.866 101 T HN 0.483 nan 8.240 nan 0.000 0.444 105 N N 1.138 119.826 118.700 -0.020 0.000 2.381 105 N HA -0.120 4.606 4.740 -0.022 0.000 0.182 105 N C 1.483 177.016 175.510 0.039 0.000 1.025 105 N CA 1.428 54.482 53.050 0.006 0.000 0.888 105 N CB -0.183 38.304 38.487 0.001 0.000 0.965 105 N HN 0.468 nan 8.380 nan 0.000 0.438 106 K N 1.047 121.482 120.400 0.059 0.000 2.147 106 K HA 0.017 4.323 4.320 -0.022 0.000 0.205 106 K C 1.611 178.262 176.600 0.085 0.000 1.049 106 K CA 0.634 56.970 56.287 0.082 0.000 0.936 106 K CB -0.320 32.237 32.500 0.095 0.000 0.722 106 K HN -0.092 nan 8.250 nan 0.000 0.446 107 V N 0.685 120.650 119.914 0.084 0.000 2.244 107 V HA -0.222 3.885 4.120 -0.022 0.000 0.244 107 V C 2.333 178.470 176.094 0.072 0.000 1.042 107 V CA 2.039 64.397 62.300 0.095 0.000 1.006 107 V CB -0.928 30.952 31.823 0.096 0.000 0.641 107 V HN 0.484 nan 8.190 nan 0.000 0.446 108 A N -0.440 122.415 122.820 0.058 0.000 1.933 108 A HA -0.208 4.099 4.320 -0.022 0.000 0.218 108 A C 2.137 179.769 177.584 0.081 0.000 1.175 108 A CA 2.081 54.153 52.037 0.058 0.000 0.628 108 A CB -0.581 18.447 19.000 0.046 0.000 0.814 108 A HN 0.465 nan 8.150 nan 0.000 0.444 109 I N -0.280 120.347 120.570 0.095 0.000 2.439 109 I HA -0.112 4.045 4.170 -0.022 0.000 0.251 109 I C 2.354 178.541 176.117 0.117 0.000 1.139 109 I CA 1.632 63.020 61.300 0.148 0.000 1.438 109 I CB -0.179 37.921 38.000 0.167 0.000 1.085 109 I HN 0.201 nan 8.210 nan 0.000 0.427 110 S N -0.506 115.236 115.700 0.070 0.000 2.383 110 S HA -0.110 4.347 4.470 -0.022 0.000 0.227 110 S C 2.087 176.709 174.600 0.036 0.000 1.026 110 S CA 1.362 59.577 58.200 0.025 0.000 0.981 110 S CB -0.343 62.882 63.200 0.042 0.000 0.818 110 S HN 0.343 nan 8.310 nan 0.000 0.472 111 V N 2.040 121.984 119.914 0.050 0.000 2.295 111 V HA -0.240 3.866 4.120 -0.022 0.000 0.246 111 V C 2.610 178.762 176.094 0.098 0.000 1.049 111 V CA 2.023 64.356 62.300 0.055 0.000 1.024 111 V CB -0.731 31.113 31.823 0.034 0.000 0.648 111 V HN 0.520 nan 8.190 nan 0.000 0.447 112 Q N 0.040 119.898 119.800 0.097 0.000 2.061 112 Q HA -0.252 4.075 4.340 -0.022 0.000 0.204 112 Q C 2.241 178.283 176.000 0.069 0.000 0.984 112 Q CA 2.267 58.146 55.803 0.127 0.000 0.846 112 Q CB -0.314 28.544 28.738 0.200 0.000 0.902 112 Q HN 0.622 nan 8.270 nan 0.000 0.421 113 A N 0.181 122.927 122.820 -0.123 0.000 1.933 113 A HA -0.186 4.121 4.320 -0.022 0.000 0.218 113 A C 1.851 179.282 177.584 -0.256 0.000 1.175 113 A CA 1.295 52.991 52.037 -0.567 0.000 0.628 113 A CB -0.957 17.464 19.000 -0.965 0.000 0.814 113 A HN 0.636 nan 8.150 nan 0.000 0.444 114 F N 0.607 120.419 119.950 -0.231 0.000 2.102 114 F HA -0.161 4.352 4.527 -0.022 0.000 0.298 114 F C 2.432 178.134 175.800 -0.163 0.000 1.105 114 F CA 1.920 59.804 58.000 -0.193 0.000 1.239 114 F CB -0.173 38.750 39.000 -0.128 0.000 0.991 114 F HN 0.099 nan 8.300 nan 0.000 0.474 115 R N 0.025 120.584 120.500 0.098 0.000 2.096 115 R HA -0.194 4.133 4.340 -0.022 0.000 0.235 115 R C 2.273 178.517 176.300 -0.094 0.000 1.127 115 R CA 1.723 57.831 56.100 0.013 0.000 0.968 115 R CB -0.557 29.800 30.300 0.095 0.000 0.861 115 R HN 0.482 nan 8.270 nan 0.000 0.440 116 E N 0.281 120.435 120.200 -0.076 0.000 2.046 116 E HA -0.123 4.214 4.350 -0.022 0.000 0.190 116 E C 1.858 178.366 176.600 -0.154 0.000 0.982 116 E CA 0.769 57.136 56.400 -0.055 0.000 0.800 116 E CB 0.311 30.052 29.700 0.069 0.000 0.756 116 E HN 0.095 nan 8.360 nan 0.000 0.449 117 R N -0.440 119.893 120.500 -0.277 0.000 2.175 117 R HA 0.057 4.384 4.340 -0.022 0.000 0.202 117 R C 1.116 177.056 176.300 -0.600 0.000 1.018 117 R CA 1.314 57.200 56.100 -0.357 0.000 1.029 117 R CB 0.421 30.499 30.300 -0.371 0.000 0.959 117 R HN 0.232 nan 8.270 nan 0.000 0.480 118 T N -2.387 111.646 114.554 -0.868 0.000 3.697 118 T HA 0.447 4.783 4.350 -0.022 0.000 0.260 118 T C 0.480 174.411 174.700 -1.281 0.000 0.998 118 T CA -0.383 60.766 62.100 -1.586 0.000 1.128 118 T CB 0.822 68.949 68.868 -1.236 0.000 1.082 118 T HN 0.113 nan 8.240 nan 0.000 0.541 119 G N 0.449 108.856 108.800 -0.655 0.000 2.641 119 G HA2 0.640 4.587 3.960 -0.022 0.000 0.239 119 G HA3 0.640 4.587 3.960 -0.022 0.000 0.239 119 G C -1.029 173.860 174.900 -0.017 0.000 1.402 119 G CA -0.757 44.157 45.100 -0.311 0.000 1.046 119 G HN 0.517 nan 8.290 nan 0.000 0.565 120 E N -0.791 119.408 120.200 -0.002 0.000 2.248 120 E HA 0.537 4.874 4.350 -0.022 0.000 0.267 120 E C -1.020 175.582 176.600 0.003 0.000 0.877 120 E CA -0.610 55.798 56.400 0.013 0.000 0.759 120 E CB 1.346 31.055 29.700 0.015 0.000 1.182 120 E HN 0.310 nan 8.360 nan 0.000 0.418 121 K N 1.632 122.028 120.400 -0.006 0.000 2.477 121 K HA 0.562 4.869 4.320 -0.022 0.000 0.255 121 K C -1.391 175.201 176.600 -0.013 0.000 0.952 121 K CA -0.955 55.328 56.287 -0.006 0.000 0.826 121 K CB 2.287 34.784 32.500 -0.004 0.000 1.331 121 K HN 0.335 nan 8.250 nan 0.000 0.437 122 S N 0.177 115.871 115.700 -0.009 0.000 2.541 122 S HA 0.849 5.305 4.470 -0.022 0.000 0.271 122 S C -1.357 173.239 174.600 -0.008 0.000 1.133 122 S CA -0.428 57.765 58.200 -0.011 0.000 0.876 122 S CB 1.757 64.951 63.200 -0.010 0.000 1.105 122 S HN 0.839 nan 8.310 nan 0.000 0.470 123 G N 2.769 111.564 108.800 -0.008 0.000 2.601 123 G HA2 0.616 4.563 3.960 -0.022 0.000 0.291 123 G HA3 0.616 4.563 3.960 -0.022 0.000 0.291 123 G C -3.509 171.387 174.900 -0.006 0.000 1.456 123 G CA -0.912 44.184 45.100 -0.006 0.000 0.804 123 G HN 0.546 nan 8.290 nan 0.000 0.499 124 P HA 0.467 nan 4.420 nan 0.000 0.275 124 P C -1.069 176.228 177.300 -0.005 0.000 1.228 124 P CA -0.359 62.739 63.100 -0.004 0.000 0.786 124 P CB 2.109 33.808 31.700 -0.003 0.000 0.927 125 L N 2.974 124.194 121.223 -0.005 0.000 2.504 125 L HA 0.541 4.868 4.340 -0.022 0.000 0.265 125 L C 0.412 177.280 176.870 -0.004 0.000 0.975 125 L CA -0.005 54.833 54.840 -0.005 0.000 0.864 125 L CB 0.596 42.652 42.059 -0.006 0.000 1.212 125 L HN 0.782 nan 8.230 nan 0.000 0.416 126 A N 3.511 126.329 122.820 -0.003 0.000 5.391 126 A HA -0.337 3.969 4.320 -0.022 0.000 0.315 126 A C 1.142 178.724 177.584 -0.003 0.000 1.874 126 A CA 1.617 53.652 52.037 -0.003 0.000 0.714 126 A CB -1.657 17.341 19.000 -0.003 0.000 1.335 126 A HN 0.993 nan 8.150 nan 0.000 0.382 127 D N 0.928 121.326 120.400 -0.003 0.000 2.349 127 D HA 0.445 5.072 4.640 -0.022 0.000 0.224 127 D C 0.682 176.980 176.300 -0.003 0.000 1.029 127 D CA 1.365 55.364 54.000 -0.003 0.000 0.879 127 D CB -0.306 40.493 40.800 -0.002 0.000 0.906 127 D HN 1.325 nan 8.370 nan 0.000 0.528 128 A N -0.127 122.690 122.820 -0.004 0.000 2.414 128 A HA 0.663 4.970 4.320 -0.022 0.000 0.278 128 A C -0.533 177.047 177.584 -0.006 0.000 1.228 128 A CA -0.600 51.434 52.037 -0.005 0.000 0.857 128 A CB 1.467 20.465 19.000 -0.005 0.000 1.389 128 A HN 0.023 nan 8.150 nan 0.000 0.452 129 T N 1.106 115.656 114.554 -0.007 0.000 2.792 129 T HA 0.619 4.955 4.350 -0.022 0.000 0.280 129 T C -0.210 174.484 174.700 -0.011 0.000 0.990 129 T CA 0.157 62.252 62.100 -0.008 0.000 0.960 129 T CB 1.286 70.149 68.868 -0.008 0.000 0.939 129 T HN 1.109 nan 8.240 nan 0.000 0.439 130 A N 3.349 126.162 122.820 -0.012 0.000 2.260 130 A HA 0.707 5.014 4.320 -0.022 0.000 0.308 130 A C -0.285 177.286 177.584 -0.021 0.000 1.254 130 A CA -0.513 51.514 52.037 -0.016 0.000 0.874 130 A CB 0.331 19.322 19.000 -0.015 0.000 1.153 130 A HN 0.683 nan 8.150 nan 0.000 0.527 131 V N 3.470 123.368 119.914 -0.028 0.000 2.555 131 V HA 0.483 4.590 4.120 -0.022 0.000 0.302 131 V C -0.562 175.499 176.094 -0.055 0.000 1.038 131 V CA -0.616 61.663 62.300 -0.035 0.000 0.887 131 V CB 1.518 33.321 31.823 -0.033 0.000 0.991 131 V HN 0.839 nan 8.190 nan 0.000 0.434 132 L N 5.814 126.998 121.223 -0.065 0.000 2.322 132 L HA 0.739 5.066 4.340 -0.022 0.000 0.281 132 L C -0.155 176.631 176.870 -0.141 0.000 1.014 132 L CA 0.180 54.949 54.840 -0.119 0.000 0.815 132 L CB 1.270 43.268 42.059 -0.102 0.000 1.247 132 L HN 0.667 nan 8.230 nan 0.000 0.421 133 R N 2.508 122.865 120.500 -0.238 0.000 2.888 133 R HA 0.663 4.990 4.340 -0.022 0.000 0.264 133 R C -1.360 174.651 176.300 -0.481 0.000 1.045 133 R CA -1.117 54.856 56.100 -0.213 0.000 0.962 133 R CB 1.875 32.092 30.300 -0.138 0.000 1.210 133 R HN 0.640 nan 8.270 nan 0.000 0.479 134 H N -0.137 118.808 119.070 -0.207 0.000 2.717 134 H HA 0.456 4.999 4.556 -0.022 0.000 0.366 134 H C -0.931 174.217 175.328 -0.299 0.000 1.132 134 H CA -0.785 55.090 56.048 -0.288 0.000 1.180 134 H CB 1.956 31.532 29.762 -0.311 0.000 1.678 134 H HN 0.126 nan 8.280 nan 0.000 0.537 135 K N 2.448 122.584 120.400 -0.439 0.000 2.435 135 K HA 0.385 4.692 4.320 -0.022 0.000 0.251 135 K C -2.853 173.567 176.600 -0.300 0.000 0.954 135 K CA -2.146 53.902 56.287 -0.399 0.000 0.820 135 K CB 2.438 34.595 32.500 -0.572 0.000 1.292 135 K HN 0.367 nan 8.250 nan 0.000 0.436 136 P HA 0.087 nan 4.420 nan 0.000 0.276 136 P C -0.109 177.334 177.300 0.237 0.000 1.244 136 P CA -0.194 62.992 63.100 0.142 0.000 0.801 136 P CB 0.722 32.652 31.700 0.383 0.000 1.006 137 H N 0.286 119.558 119.070 0.337 0.000 2.363 137 H HA 0.054 4.596 4.556 -0.022 0.000 0.301 137 H C 1.482 176.737 175.328 -0.121 0.000 1.074 137 H CA 2.010 58.182 56.048 0.207 0.000 1.354 137 H CB -0.198 29.657 29.762 0.153 0.000 1.397 137 H HN 0.723 nan 8.280 nan 0.000 0.516 138 G N -0.199 108.405 108.800 -0.327 0.000 1.930 138 G HA2 -0.138 3.809 3.960 -0.022 0.000 0.054 138 G HA3 -0.138 3.809 3.960 -0.022 0.000 0.054 138 G C -1.056 173.456 174.900 -0.647 0.000 0.902 138 G CA -0.094 44.263 45.100 -1.239 0.000 1.168 138 G HN 0.151 nan 8.290 nan 0.000 0.383 139 V N 1.939 121.614 119.914 -0.399 0.000 2.407 139 V HA 0.619 4.726 4.120 -0.022 0.000 0.278 139 V C 0.475 176.452 176.094 -0.194 0.000 1.037 139 V CA -0.019 62.143 62.300 -0.230 0.000 0.900 139 V CB 0.919 32.627 31.823 -0.192 0.000 0.983 139 V HN 1.451 nan 8.190 nan 0.000 0.459 140 V N 2.545 122.336 119.914 -0.204 0.000 2.656 140 V HA 0.983 5.090 4.120 -0.022 0.000 0.307 140 V C 0.041 175.977 176.094 -0.263 0.000 1.051 140 V CA -0.878 61.223 62.300 -0.331 0.000 0.893 140 V CB 1.588 33.061 31.823 -0.583 0.000 0.999 140 V HN 0.969 nan 8.190 nan 0.000 0.426 141 A N 4.003 126.698 122.820 -0.208 0.000 2.309 141 A HA 0.801 5.107 4.320 -0.022 0.000 0.298 141 A C -0.302 177.273 177.584 -0.015 0.000 1.165 141 A CA -0.558 51.445 52.037 -0.057 0.000 0.821 141 A CB 1.154 20.242 19.000 0.147 0.000 1.102 141 A HN 1.359 nan 8.150 nan 0.000 0.500 142 V N 3.013 122.958 119.914 0.051 0.000 2.409 142 V HA 0.366 4.472 4.120 -0.022 0.000 0.291 142 V C -1.111 175.139 176.094 0.259 0.000 1.020 142 V CA -0.202 62.203 62.300 0.174 0.000 0.848 142 V CB 0.808 32.699 31.823 0.112 0.000 0.990 142 V HN 0.696 nan 8.190 nan 0.000 0.430 143 F N 3.136 123.198 119.950 0.186 0.000 2.391 143 F HA 0.675 5.189 4.527 -0.022 0.000 0.359 143 F C 1.020 176.907 175.800 0.144 0.000 1.122 143 F CA -0.440 57.681 58.000 0.201 0.000 1.120 143 F CB 1.492 40.663 39.000 0.286 0.000 1.142 143 F HN 0.543 nan 8.300 nan 0.000 0.483 144 G N 4.133 113.127 108.800 0.322 0.000 2.425 144 G HA2 0.653 4.600 3.960 -0.022 0.000 0.302 144 G HA3 0.653 4.600 3.960 -0.022 0.000 0.302 144 G C -2.814 172.141 174.900 0.093 0.000 1.159 144 G CA -1.398 43.864 45.100 0.269 0.000 0.865 144 G HN 0.338 nan 8.290 nan 0.000 0.515 145 P HA 0.247 nan 4.420 nan 0.000 0.289 145 P C -0.440 176.862 177.300 0.004 0.000 1.300 145 P CA -0.687 62.361 63.100 -0.085 0.000 0.828 145 P CB 1.225 32.802 31.700 -0.204 0.000 1.235 146 Y N -0.330 119.973 120.300 0.005 0.000 2.497 146 Y HA 0.140 4.677 4.550 -0.022 0.000 0.265 146 Y C 1.778 177.687 175.900 0.015 0.000 1.111 146 Y CA 0.423 58.529 58.100 0.009 0.000 1.288 146 Y CB -1.410 37.047 38.460 -0.004 0.000 1.082 146 Y HN 0.147 nan 8.280 nan 0.000 0.536 147 N N 0.709 119.265 118.700 -0.240 0.000 2.207 147 N HA -0.118 4.609 4.740 -0.022 0.000 0.182 147 N C -0.396 174.952 175.510 -0.269 0.000 1.020 147 N CA 0.859 53.824 53.050 -0.143 0.000 0.858 147 N CB -0.666 37.768 38.487 -0.088 0.000 0.991 147 N HN 0.348 nan 8.380 nan 0.000 0.427 148 F N 1.399 121.351 119.950 0.003 0.000 2.449 148 F HA 0.436 4.949 4.527 -0.023 0.000 0.344 148 F C -1.675 174.150 175.800 0.041 0.000 1.180 148 F CA -2.225 55.791 58.000 0.028 0.000 1.209 148 F CB 1.877 40.911 39.000 0.057 0.000 1.440 148 F HN -0.047 nan 8.300 nan 0.000 0.526 149 P HA -0.006 nan 4.420 nan 0.000 0.233 149 P C 1.228 178.645 177.300 0.195 0.000 1.167 149 P CA 0.937 64.134 63.100 0.163 0.000 0.770 149 P CB 0.544 32.306 31.700 0.103 0.000 0.837 150 G N -0.655 108.264 108.800 0.197 0.000 2.763 150 G HA2 -0.116 3.831 3.960 -0.022 0.000 0.205 150 G HA3 -0.116 3.831 3.960 -0.022 0.000 0.205 150 G C 1.487 176.488 174.900 0.169 0.000 1.137 150 G CA 0.327 45.539 45.100 0.187 0.000 0.839 150 G HN 0.280 nan 8.290 nan 0.000 0.596 151 H N 0.470 119.593 119.070 0.089 0.000 2.395 151 H HA 0.204 4.748 4.556 -0.021 0.000 0.299 151 H C 2.325 177.594 175.328 -0.098 0.000 1.070 151 H CA 1.194 57.223 56.048 -0.031 0.000 1.356 151 H CB -0.167 29.510 29.762 -0.141 0.000 1.401 151 H HN 0.233 nan 8.280 nan 0.000 0.524 152 L N 0.131 121.238 121.223 -0.194 0.000 2.072 152 L HA 0.009 4.335 4.340 -0.022 0.000 0.205 152 L C -0.443 176.271 176.870 -0.260 0.000 1.079 152 L CA 0.730 55.364 54.840 -0.342 0.000 0.752 152 L CB -1.016 40.954 42.059 -0.150 0.000 0.906 152 L HN 0.324 nan 8.230 nan 0.000 0.436 153 P HA -0.139 nan 4.420 nan 0.000 0.217 153 P C 1.011 178.207 177.300 -0.174 0.000 1.150 153 P CA 1.270 64.299 63.100 -0.118 0.000 0.832 153 P CB -0.055 31.490 31.700 -0.260 0.000 0.787 154 N N -0.234 118.388 118.700 -0.129 0.000 2.205 154 N HA -0.117 4.610 4.740 -0.022 0.000 0.186 154 N C 1.816 177.291 175.510 -0.058 0.000 1.015 154 N CA 1.651 54.693 53.050 -0.014 0.000 0.862 154 N CB -1.050 37.494 38.487 0.094 0.000 0.986 154 N HN 0.026 nan 8.380 nan 0.000 0.429 155 G N -1.629 107.021 108.800 -0.251 0.000 2.509 155 G HA2 -0.183 3.764 3.960 -0.022 0.000 0.218 155 G HA3 -0.183 3.764 3.960 -0.022 0.000 0.218 155 G C 1.113 175.897 174.900 -0.193 0.000 1.124 155 G CA 0.594 45.515 45.100 -0.299 0.000 0.776 155 G HN 0.427 nan 8.290 nan 0.000 0.547 156 H N -0.294 118.783 119.070 0.012 0.000 2.439 156 H HA 0.232 4.775 4.556 -0.022 0.000 0.299 156 H C 2.590 178.005 175.328 0.144 0.000 1.033 156 H CA 0.162 56.299 56.048 0.148 0.000 1.348 156 H CB 0.151 30.061 29.762 0.247 0.000 1.449 156 H HN 0.297 nan 8.280 nan 0.000 0.544 157 I N 0.339 120.999 120.570 0.149 0.000 2.202 157 I HA -0.208 3.949 4.170 -0.022 0.000 0.242 157 I C 2.448 178.605 176.117 0.067 0.000 1.091 157 I CA 0.679 61.989 61.300 0.017 0.000 1.368 157 I CB -0.124 37.772 38.000 -0.175 0.000 1.058 157 I HN -0.037 nan 8.210 nan 0.000 0.410 158 V N 1.922 121.927 119.914 0.152 0.000 2.233 158 V HA -0.179 3.928 4.120 -0.022 0.000 0.247 158 V C -0.356 175.827 176.094 0.149 0.000 1.050 158 V CA 2.317 64.745 62.300 0.213 0.000 1.010 158 V CB -2.024 29.940 31.823 0.234 0.000 0.637 158 V HN 0.333 nan 8.190 nan 0.000 0.444 159 P HA -0.093 nan 4.420 nan 0.000 0.221 159 P C 1.517 178.905 177.300 0.147 0.000 1.150 159 P CA 1.947 65.098 63.100 0.085 0.000 0.800 159 P CB -0.088 31.610 31.700 -0.003 0.000 0.787 160 A N 0.226 123.177 122.820 0.219 0.000 1.873 160 A HA -0.108 4.199 4.320 -0.022 0.000 0.215 160 A C 2.363 180.096 177.584 0.249 0.000 1.186 160 A CA 1.255 53.476 52.037 0.306 0.000 0.616 160 A CB -1.526 17.712 19.000 0.397 0.000 0.823 160 A HN 0.107 nan 8.150 nan 0.000 0.442 161 L N -1.001 120.333 121.223 0.186 0.000 2.093 161 L HA -0.130 4.197 4.340 -0.022 0.000 0.208 161 L C 2.537 179.617 176.870 0.348 0.000 1.085 161 L CA 0.940 55.961 54.840 0.301 0.000 0.755 161 L CB -0.588 41.520 42.059 0.081 0.000 0.904 161 L HN 0.448 nan 8.230 nan 0.000 0.435 162 L N 0.802 122.115 121.223 0.151 0.000 2.043 162 L HA -0.208 4.119 4.340 -0.022 0.000 0.212 162 L C 2.538 179.265 176.870 -0.239 0.000 1.075 162 L CA 2.195 56.989 54.840 -0.076 0.000 0.752 162 L CB -0.720 41.257 42.059 -0.136 0.000 0.891 162 L HN 0.160 nan 8.230 nan 0.000 0.432 163 A N -1.490 121.320 122.820 -0.017 0.000 2.119 163 A HA 0.325 4.632 4.320 -0.022 0.000 0.217 163 A C 1.778 179.413 177.584 0.085 0.000 1.153 163 A CA 0.978 53.087 52.037 0.119 0.000 0.692 163 A CB -0.759 18.411 19.000 0.283 0.000 0.799 163 A HN 1.000 nan 8.150 nan 0.000 0.458 164 G N -1.301 107.565 108.800 0.110 0.000 2.154 164 G HA2 -0.177 3.770 3.960 -0.022 0.000 0.186 164 G HA3 -0.177 3.770 3.960 -0.022 0.000 0.186 164 G C -0.113 175.111 174.900 0.540 0.000 1.000 164 G CA -0.046 45.118 45.100 0.107 0.000 0.664 164 G HN 0.460 nan 8.290 nan 0.000 0.513 165 N N -0.490 118.509 118.700 0.498 0.000 2.381 165 N HA 0.508 5.235 4.740 -0.022 0.000 0.254 165 N C -0.020 175.718 175.510 0.379 0.000 1.264 165 N CA 0.558 53.874 53.050 0.442 0.000 0.942 165 N CB 1.281 39.931 38.487 0.272 0.000 1.190 165 N HN 0.227 nan 8.380 nan 0.000 0.495 166 C N 0.567 119.981 119.300 0.191 0.000 2.529 166 C HA 0.624 5.071 4.460 -0.022 0.000 0.329 166 C C 0.182 175.112 174.990 -0.100 0.000 1.194 166 C CA -0.612 58.389 59.018 -0.029 0.000 1.779 166 C CB 1.530 29.266 27.740 -0.007 0.000 2.322 166 C HN 0.345 nan 8.230 nan 0.000 0.500 167 V N 2.426 122.234 119.914 -0.176 0.000 2.680 167 V HA 0.564 4.670 4.120 -0.022 0.000 0.309 167 V C -0.604 175.401 176.094 -0.149 0.000 1.052 167 V CA -0.450 61.753 62.300 -0.161 0.000 0.908 167 V CB 2.020 33.732 31.823 -0.186 0.000 1.001 167 V HN 0.668 nan 8.190 nan 0.000 0.431 168 V N 4.953 124.795 119.914 -0.120 0.000 2.357 168 V HA 0.416 4.523 4.120 -0.022 0.000 0.284 168 V C -0.695 175.383 176.094 -0.026 0.000 1.018 168 V CA -0.487 61.754 62.300 -0.097 0.000 0.841 168 V CB 1.350 33.090 31.823 -0.137 0.000 0.991 168 V HN 0.672 nan 8.190 nan 0.000 0.437 169 F N 6.200 126.042 119.950 -0.180 0.000 2.385 169 F HA 0.557 5.070 4.527 -0.022 0.000 0.360 169 F C -0.039 175.645 175.800 -0.193 0.000 1.122 169 F CA -1.306 56.595 58.000 -0.166 0.000 1.090 169 F CB 1.112 40.043 39.000 -0.115 0.000 1.150 169 F HN 0.325 nan 8.300 nan 0.000 0.472 170 K N 8.938 129.163 120.400 -0.290 0.000 2.404 170 K HA 0.431 4.738 4.320 -0.022 0.000 0.257 170 K C -3.004 173.291 176.600 -0.508 0.000 1.026 170 K CA -2.116 53.863 56.287 -0.514 0.000 0.951 170 K CB 1.427 33.507 32.500 -0.699 0.000 1.203 170 K HN 0.336 nan 8.250 nan 0.000 0.446 171 P HA 0.033 nan 4.420 nan 0.000 0.274 171 P C -0.456 176.733 177.300 -0.184 0.000 1.237 171 P CA -0.348 62.458 63.100 -0.489 0.000 0.793 171 P CB 0.673 32.003 31.700 -0.616 0.000 0.977 172 S N 0.714 116.393 115.700 -0.036 0.000 2.558 172 S HA -0.079 4.378 4.470 -0.022 0.000 0.293 172 S C 1.316 175.888 174.600 -0.047 0.000 1.292 172 S CA 0.006 58.222 58.200 0.026 0.000 1.063 172 S CB -0.193 63.075 63.200 0.114 0.000 0.831 172 S HN 0.535 nan 8.310 nan 0.000 0.499 173 E N 4.042 124.232 120.200 -0.017 0.000 2.409 173 E HA -0.109 4.228 4.350 -0.022 0.000 0.198 173 E C 1.355 177.920 176.600 -0.059 0.000 1.024 173 E CA 0.818 57.191 56.400 -0.045 0.000 0.861 173 E CB -0.275 29.431 29.700 0.010 0.000 0.788 173 E HN 0.745 nan 8.360 nan 0.000 0.521 174 L N 1.055 122.254 121.223 -0.040 0.000 2.446 174 L HA 0.058 4.385 4.340 -0.022 0.000 0.219 174 L C 1.169 177.992 176.870 -0.077 0.000 1.116 174 L CA 1.017 55.818 54.840 -0.065 0.000 0.844 174 L CB 0.276 42.265 42.059 -0.116 0.000 0.970 174 L HN 0.215 nan 8.230 nan 0.000 0.457 175 T N -4.573 109.927 114.554 -0.090 0.000 3.624 175 T HA 0.259 4.596 4.350 -0.022 0.000 0.244 175 T C -1.909 172.638 174.700 -0.254 0.000 1.063 175 T CA -1.136 60.893 62.100 -0.118 0.000 1.252 175 T CB 0.451 69.312 68.868 -0.011 0.000 1.021 175 T HN -0.098 nan 8.240 nan 0.000 0.590 176 P HA -0.038 nan 4.420 nan 0.000 0.219 176 P C 1.381 178.189 177.300 -0.820 0.000 1.150 176 P CA 0.763 63.366 63.100 -0.828 0.000 0.814 176 P CB 0.404 31.151 31.700 -1.588 0.000 0.787 177 K N 0.278 120.268 120.400 -0.683 0.000 2.097 177 K HA -0.056 4.251 4.320 -0.022 0.000 0.205 177 K C 2.007 178.530 176.600 -0.129 0.000 1.050 177 K CA 0.939 57.019 56.287 -0.345 0.000 0.938 177 K CB -0.363 32.091 32.500 -0.076 0.000 0.718 177 K HN -0.125 nan 8.250 nan 0.000 0.442 178 V N 1.330 121.180 119.914 -0.107 0.000 2.332 178 V HA -0.273 3.834 4.120 -0.022 0.000 0.248 178 V C 2.415 178.548 176.094 0.065 0.000 1.055 178 V CA 2.069 64.364 62.300 -0.007 0.000 1.038 178 V CB -0.717 31.113 31.823 0.012 0.000 0.651 178 V HN 0.466 nan 8.190 nan 0.000 0.450 179 A N -0.484 122.355 122.820 0.031 0.000 1.902 179 A HA -0.271 4.036 4.320 -0.022 0.000 0.217 179 A C 2.289 179.980 177.584 0.177 0.000 1.181 179 A CA 1.968 54.097 52.037 0.153 0.000 0.623 179 A CB -0.513 18.425 19.000 -0.103 0.000 0.818 179 A HN 0.643 nan 8.150 nan 0.000 0.443 180 E N -0.593 119.658 120.200 0.085 0.000 2.038 180 E HA -0.227 4.110 4.350 -0.022 0.000 0.195 180 E C 1.894 178.633 176.600 0.231 0.000 1.000 180 E CA 1.511 58.046 56.400 0.226 0.000 0.803 180 E CB -0.233 29.577 29.700 0.184 0.000 0.750 180 E HN 0.407 nan 8.360 nan 0.000 0.448 181 L N 0.962 122.272 121.223 0.144 0.000 2.131 181 L HA -0.131 4.196 4.340 -0.022 0.000 0.210 181 L C 2.235 179.212 176.870 0.179 0.000 1.092 181 L CA 2.007 56.924 54.840 0.129 0.000 0.759 181 L CB -0.737 41.367 42.059 0.075 0.000 0.903 181 L HN 0.152 nan 8.230 nan 0.000 0.435 182 T N -0.325 114.368 114.554 0.232 0.000 2.708 182 T HA -0.135 4.202 4.350 -0.022 0.000 0.266 182 T C 1.913 176.871 174.700 0.431 0.000 1.037 182 T CA 1.205 63.498 62.100 0.322 0.000 1.146 182 T CB -0.250 68.846 68.868 0.380 0.000 0.865 182 T HN 0.143 nan 8.240 nan 0.000 0.435 183 L N 1.239 122.704 121.223 0.404 0.000 2.042 183 L HA -0.083 4.243 4.340 -0.022 0.000 0.210 183 L C 2.357 179.381 176.870 0.256 0.000 1.076 183 L CA 1.866 56.904 54.840 0.330 0.000 0.749 183 L CB -0.864 41.299 42.059 0.172 0.000 0.893 183 L HN 0.338 nan 8.230 nan 0.000 0.432 184 K N -0.703 119.858 120.400 0.268 0.000 2.103 184 K HA -0.166 4.140 4.320 -0.022 0.000 0.207 184 K C 2.083 178.787 176.600 0.173 0.000 1.048 184 K CA 1.390 57.801 56.287 0.208 0.000 0.930 184 K CB -0.103 32.490 32.500 0.155 0.000 0.716 184 K HN 0.318 nan 8.250 nan 0.000 0.444 185 A N 0.708 123.641 122.820 0.187 0.000 1.873 185 A HA -0.160 4.147 4.320 -0.022 0.000 0.215 185 A C 1.826 179.564 177.584 0.257 0.000 1.186 185 A CA 1.159 53.285 52.037 0.148 0.000 0.616 185 A CB -0.949 18.076 19.000 0.041 0.000 0.823 185 A HN 0.428 nan 8.150 nan 0.000 0.442 186 W N 0.075 121.559 121.300 0.306 0.000 2.318 186 W HA -0.193 4.454 4.660 -0.021 0.000 0.313 186 W C 2.092 178.635 176.519 0.039 0.000 1.221 186 W CA 1.287 58.683 57.345 0.084 0.000 1.266 186 W CB -0.379 28.972 29.460 -0.182 0.000 1.150 186 W HN 0.271 nan 8.180 nan 0.000 0.496 187 I N -0.330 120.383 120.570 0.239 0.000 2.179 187 I HA -0.361 3.796 4.170 -0.022 0.000 0.242 187 I C 2.576 178.782 176.117 0.149 0.000 1.088 187 I CA 1.698 63.074 61.300 0.127 0.000 1.357 187 I CB -0.853 37.158 38.000 0.018 0.000 1.051 187 I HN 0.070 nan 8.210 nan 0.000 0.409 188 Q N 1.030 120.915 119.800 0.141 0.000 2.181 188 Q HA -0.215 4.112 4.340 -0.022 0.000 0.205 188 Q C 2.107 178.175 176.000 0.113 0.000 0.980 188 Q CA 1.754 57.624 55.803 0.111 0.000 0.862 188 Q CB -0.088 28.699 28.738 0.082 0.000 0.905 188 Q HN 0.570 nan 8.270 nan 0.000 0.429 189 A N -0.600 122.309 122.820 0.148 0.000 2.206 189 A HA 0.226 4.533 4.320 -0.022 0.000 0.211 189 A C 1.423 179.106 177.584 0.165 0.000 1.158 189 A CA 0.931 53.059 52.037 0.152 0.000 0.761 189 A CB -0.309 18.811 19.000 0.201 0.000 0.801 189 A HN 0.638 nan 8.150 nan 0.000 0.473 190 G N -1.865 107.032 108.800 0.162 0.000 2.144 190 G HA2 -0.137 3.810 3.960 -0.022 0.000 0.218 190 G HA3 -0.137 3.810 3.960 -0.022 0.000 0.218 190 G C -0.011 174.978 174.900 0.148 0.000 0.988 190 G CA 0.015 45.203 45.100 0.146 0.000 0.659 190 G HN 0.611 nan 8.290 nan 0.000 0.522 191 L N 1.926 123.246 121.223 0.162 0.000 2.499 191 L HA 0.478 4.805 4.340 -0.022 0.000 0.273 191 L C -1.367 175.503 176.870 -0.000 0.000 1.195 191 L CA -0.939 53.939 54.840 0.063 0.000 0.882 191 L CB 0.192 42.263 42.059 0.019 0.000 1.133 191 L HN 0.015 nan 8.230 nan 0.000 0.483 192 P HA 0.163 nan 4.420 nan 0.000 0.271 192 P C -1.037 176.201 177.300 -0.103 0.000 1.218 192 P CA -0.339 62.730 63.100 -0.051 0.000 0.780 192 P CB 0.566 32.252 31.700 -0.025 0.000 0.901 193 A N 2.668 125.450 122.820 -0.063 0.000 2.584 193 A HA 0.354 4.660 4.320 -0.022 0.000 0.239 193 A C 1.620 179.106 177.584 -0.163 0.000 1.043 193 A CA 0.945 52.910 52.037 -0.119 0.000 0.756 193 A CB -1.452 17.487 19.000 -0.103 0.000 0.963 193 A HN 0.906 nan 8.150 nan 0.000 0.511 194 G N 1.066 109.732 108.800 -0.222 0.000 2.253 194 G HA2 -0.288 3.658 3.960 -0.022 0.000 0.251 194 G HA3 -0.288 3.658 3.960 -0.022 0.000 0.251 194 G C 0.995 175.751 174.900 -0.240 0.000 0.998 194 G CA 0.690 45.664 45.100 -0.211 0.000 0.621 194 G HN 1.297 nan 8.290 nan 0.000 0.524 195 V N -0.158 119.557 119.914 -0.332 0.000 2.407 195 V HA 0.208 4.315 4.120 -0.022 0.000 0.248 195 V C 1.140 176.942 176.094 -0.488 0.000 1.055 195 V CA 2.083 64.059 62.300 -0.539 0.000 1.049 195 V CB -0.091 31.142 31.823 -0.983 0.000 0.662 195 V HN 0.599 nan 8.190 nan 0.000 0.455 196 L N 1.144 122.124 121.223 -0.406 0.000 2.406 196 L HA 0.546 4.873 4.340 -0.022 0.000 0.272 196 L C -0.915 175.853 176.870 -0.170 0.000 0.980 196 L CA -0.168 54.456 54.840 -0.360 0.000 0.831 196 L CB 1.728 43.431 42.059 -0.594 0.000 1.253 196 L HN 0.091 nan 8.230 nan 0.000 0.406 197 N N 4.647 123.268 118.700 -0.133 0.000 2.269 197 N HA 0.545 5.271 4.740 -0.022 0.000 0.304 197 N C -1.653 173.844 175.510 -0.021 0.000 1.072 197 N CA -0.575 52.422 53.050 -0.088 0.000 0.802 197 N CB 2.896 41.291 38.487 -0.154 0.000 1.348 197 N HN 0.488 nan 8.380 nan 0.000 0.484 198 L N 2.177 123.404 121.223 0.007 0.000 2.325 198 L HA 0.480 4.806 4.340 -0.022 0.000 0.281 198 L C -0.920 175.971 176.870 0.036 0.000 1.004 198 L CA -0.879 53.966 54.840 0.008 0.000 0.823 198 L CB 1.224 43.306 42.059 0.038 0.000 1.236 198 L HN 0.337 nan 8.230 nan 0.000 0.415 199 V N 2.759 122.654 119.914 -0.031 0.000 2.378 199 V HA 0.616 4.722 4.120 -0.022 0.000 0.288 199 V C -0.263 175.861 176.094 0.050 0.000 1.016 199 V CA -0.646 61.691 62.300 0.061 0.000 0.840 199 V CB 1.114 32.866 31.823 -0.118 0.000 0.994 199 V HN 0.778 nan 8.190 nan 0.000 0.431 200 Q N 2.781 122.770 119.800 0.315 0.000 2.260 200 Q HA 0.845 5.172 4.340 -0.022 0.000 0.242 200 Q C 0.401 176.517 176.000 0.193 0.000 0.932 200 Q CA 0.441 56.317 55.803 0.122 0.000 0.891 200 Q CB 2.009 30.833 28.738 0.143 0.000 1.222 200 Q HN 1.355 nan 8.270 nan 0.000 0.453 201 G N -0.674 108.170 108.800 0.073 0.000 2.341 201 G HA2 0.358 4.305 3.960 -0.022 0.000 0.293 201 G HA3 0.358 4.305 3.960 -0.022 0.000 0.293 201 G C -0.653 174.281 174.900 0.056 0.000 1.298 201 G CA -0.371 44.792 45.100 0.106 0.000 0.868 201 G HN 0.678 nan 8.290 nan 0.000 0.540 202 G N -1.025 107.817 108.800 0.071 0.000 2.882 202 G HA2 0.495 4.442 3.960 -0.022 0.000 0.164 202 G HA3 0.495 4.442 3.960 -0.022 0.000 0.164 202 G C 1.157 176.102 174.900 0.075 0.000 1.429 202 G CA 0.644 45.783 45.100 0.066 0.000 1.059 202 G HN 0.802 nan 8.290 nan 0.000 0.581 203 R N 0.029 120.574 120.500 0.074 0.000 2.096 203 R HA -0.116 4.211 4.340 -0.022 0.000 0.240 203 R C 2.431 178.778 176.300 0.079 0.000 1.139 203 R CA 2.288 58.437 56.100 0.081 0.000 0.952 203 R CB -0.389 29.949 30.300 0.063 0.000 0.854 203 R HN 0.678 nan 8.270 nan 0.000 0.436 204 E N -0.908 119.329 120.200 0.062 0.000 2.118 204 E HA -0.162 4.174 4.350 -0.022 0.000 0.195 204 E C 1.912 178.545 176.600 0.056 0.000 0.992 204 E CA 1.818 58.249 56.400 0.052 0.000 0.804 204 E CB -0.070 29.654 29.700 0.041 0.000 0.741 204 E HN 0.408 nan 8.360 nan 0.000 0.458 205 T N 0.230 114.815 114.554 0.053 0.000 2.737 205 T HA -0.094 4.243 4.350 -0.022 0.000 0.265 205 T C 1.948 176.686 174.700 0.064 0.000 1.038 205 T CA 1.177 63.296 62.100 0.032 0.000 1.144 205 T CB -0.525 68.349 68.868 0.011 0.000 0.866 205 T HN 0.381 nan 8.240 nan 0.000 0.434 206 G N 1.073 109.945 108.800 0.120 0.000 2.418 206 G HA2 -0.172 3.775 3.960 -0.022 0.000 0.217 206 G HA3 -0.172 3.775 3.960 -0.022 0.000 0.217 206 G C 1.711 176.798 174.900 0.312 0.000 1.158 206 G CA 0.795 46.070 45.100 0.292 0.000 0.771 206 G HN 0.414 nan 8.290 nan 0.000 0.545 207 V N 1.501 121.521 119.914 0.177 0.000 2.332 207 V HA -0.155 3.952 4.120 -0.022 0.000 0.248 207 V C 3.314 179.479 176.094 0.119 0.000 1.055 207 V CA 2.115 64.489 62.300 0.125 0.000 1.038 207 V CB -0.761 31.106 31.823 0.074 0.000 0.651 207 V HN 0.484 nan 8.190 nan 0.000 0.450 208 A N -0.526 122.355 122.820 0.103 0.000 1.930 208 A HA -0.145 4.162 4.320 -0.022 0.000 0.217 208 A C 2.119 179.784 177.584 0.135 0.000 1.175 208 A CA 1.878 53.967 52.037 0.087 0.000 0.627 208 A CB -0.469 18.566 19.000 0.058 0.000 0.815 208 A HN 0.447 nan 8.150 nan 0.000 0.443 209 L N -0.213 121.105 121.223 0.158 0.000 2.044 209 L HA 0.048 4.375 4.340 -0.022 0.000 0.205 209 L C 2.642 179.679 176.870 0.277 0.000 1.075 209 L CA 2.171 57.118 54.840 0.177 0.000 0.747 209 L CB -0.952 41.163 42.059 0.094 0.000 0.903 209 L HN 0.311 nan 8.230 nan 0.000 0.435 210 A N -0.378 122.663 122.820 0.367 0.000 1.940 210 A HA -0.116 4.190 4.320 -0.022 0.000 0.219 210 A C 2.321 180.019 177.584 0.189 0.000 1.176 210 A CA 1.766 53.979 52.037 0.293 0.000 0.631 210 A CB -1.111 17.972 19.000 0.138 0.000 0.814 210 A HN 0.578 nan 8.150 nan 0.000 0.446 211 A N -1.817 121.073 122.820 0.116 0.000 2.206 211 A HA 0.044 4.351 4.320 -0.022 0.000 0.211 211 A C 1.126 178.703 177.584 -0.011 0.000 1.158 211 A CA 0.079 52.123 52.037 0.011 0.000 0.761 211 A CB -0.543 18.455 19.000 -0.004 0.000 0.801 211 A HN 0.603 nan 8.150 nan 0.000 0.473 212 H N 0.791 119.849 119.070 -0.020 0.000 2.848 212 H HA 0.199 4.742 4.556 -0.022 0.000 0.317 212 H C 0.784 176.069 175.328 -0.073 0.000 1.046 212 H CA 0.201 56.226 56.048 -0.039 0.000 1.470 212 H CB 0.517 30.267 29.762 -0.019 0.000 1.483 212 H HN 0.321 nan 8.280 nan 0.000 0.548 213 R N 2.559 122.989 120.500 -0.118 0.000 2.280 213 R HA -0.027 4.299 4.340 -0.022 0.000 0.207 213 R C 1.901 178.241 176.300 0.067 0.000 1.043 213 R CA 0.744 56.806 56.100 -0.063 0.000 1.006 213 R CB 0.258 30.476 30.300 -0.137 0.000 0.885 213 R HN 0.624 nan 8.270 nan 0.000 0.467 214 G N 0.933 109.941 108.800 0.346 0.000 2.744 214 G HA2 -0.007 3.940 3.960 -0.022 0.000 0.211 214 G HA3 -0.007 3.940 3.960 -0.022 0.000 0.211 214 G C 0.591 175.508 174.900 0.028 0.000 1.143 214 G CA -0.131 45.078 45.100 0.182 0.000 0.788 214 G HN 0.061 nan 8.290 nan 0.000 0.534 215 L N 0.947 122.194 121.223 0.040 0.000 2.380 215 L HA 0.211 4.538 4.340 -0.022 0.000 0.273 215 L C 0.494 177.336 176.870 -0.047 0.000 1.138 215 L CA -0.444 54.379 54.840 -0.027 0.000 0.832 215 L CB 1.063 43.138 42.059 0.027 0.000 1.124 215 L HN 0.050 nan 8.230 nan 0.000 0.454 216 D N 1.724 122.072 120.400 -0.086 0.000 2.366 216 D HA 0.162 4.789 4.640 -0.022 0.000 0.205 216 D C 0.689 176.931 176.300 -0.096 0.000 1.022 216 D CA 0.427 54.378 54.000 -0.081 0.000 0.868 216 D CB 1.250 42.001 40.800 -0.082 0.000 0.953 216 D HN 0.692 nan 8.370 nan 0.000 0.514 217 G N 0.350 109.066 108.800 -0.140 0.000 2.692 217 G HA2 0.565 4.512 3.960 -0.022 0.000 0.291 217 G HA3 0.565 4.512 3.960 -0.022 0.000 0.291 217 G C -2.021 172.712 174.900 -0.278 0.000 1.423 217 G CA -0.583 44.391 45.100 -0.209 0.000 0.843 217 G HN 0.072 nan 8.290 nan 0.000 0.486 218 L N 0.479 121.555 121.223 -0.245 0.000 2.439 218 L HA 0.735 5.062 4.340 -0.022 0.000 0.270 218 L C -1.608 175.223 176.870 -0.064 0.000 0.972 218 L CA -0.864 53.862 54.840 -0.190 0.000 0.836 218 L CB 1.458 43.439 42.059 -0.130 0.000 1.255 218 L HN 0.369 nan 8.230 nan 0.000 0.404 219 F N 5.328 125.204 119.950 -0.123 0.000 2.449 219 F HA 0.492 5.006 4.527 -0.022 0.000 0.342 219 F C -0.441 175.211 175.800 -0.247 0.000 1.127 219 F CA -1.219 56.543 58.000 -0.398 0.000 0.975 219 F CB 1.517 40.112 39.000 -0.675 0.000 1.146 219 F HN 0.239 nan 8.300 nan 0.000 0.444 220 F N 1.930 121.797 119.950 -0.139 0.000 2.556 220 F HA 0.725 5.239 4.527 -0.022 0.000 0.314 220 F C -0.821 175.057 175.800 0.130 0.000 1.106 220 F CA -0.301 57.707 58.000 0.014 0.000 0.911 220 F CB 1.831 40.753 39.000 -0.130 0.000 1.190 220 F HN 0.341 nan 8.300 nan 0.000 0.448 221 T N 4.369 118.557 114.554 -0.611 0.000 2.841 221 T HA 0.825 5.162 4.350 -0.022 0.000 0.285 221 T C -0.216 173.837 174.700 -1.079 0.000 0.991 221 T CA -0.329 61.442 62.100 -0.549 0.000 0.966 221 T CB 1.295 70.076 68.868 -0.146 0.000 0.962 221 T HN 1.131 nan 8.240 nan 0.000 0.438 222 G N 1.666 109.995 108.800 -0.786 0.000 2.360 222 G HA2 0.465 4.412 3.960 -0.022 0.000 0.276 222 G HA3 0.465 4.412 3.960 -0.022 0.000 0.276 222 G C -0.650 174.243 174.900 -0.011 0.000 1.256 222 G CA -0.320 44.504 45.100 -0.459 0.000 0.890 222 G HN 0.944 nan 8.290 nan 0.000 0.486 223 S N -0.456 115.315 115.700 0.118 0.000 2.593 223 S HA 0.451 4.908 4.470 -0.022 0.000 0.269 223 S C 1.792 176.504 174.600 0.188 0.000 1.334 223 S CA 0.898 59.149 58.200 0.085 0.000 1.015 223 S CB 1.522 64.746 63.200 0.039 0.000 0.912 223 S HN 2.045 nan 8.310 nan 0.000 0.541 224 S N 1.467 117.261 115.700 0.157 0.000 2.423 224 S HA -0.172 4.285 4.470 -0.022 0.000 0.231 224 S C 1.859 176.490 174.600 0.052 0.000 1.014 224 S CA 0.753 59.037 58.200 0.139 0.000 0.965 224 S CB -0.625 62.717 63.200 0.237 0.000 0.785 224 S HN 0.813 nan 8.310 nan 0.000 0.495 225 R N 0.924 121.459 120.500 0.057 0.000 2.083 225 R HA -0.101 4.226 4.340 -0.022 0.000 0.237 225 R C 2.119 178.403 176.300 -0.027 0.000 1.137 225 R CA 2.131 58.239 56.100 0.014 0.000 0.951 225 R CB -0.939 29.377 30.300 0.026 0.000 0.851 225 R HN 0.509 nan 8.270 nan 0.000 0.434 226 T N -0.774 113.775 114.554 -0.008 0.000 2.857 226 T HA -0.028 4.309 4.350 -0.022 0.000 0.266 226 T C 1.636 176.114 174.700 -0.369 0.000 1.048 226 T CA 1.201 63.242 62.100 -0.099 0.000 1.139 226 T CB -0.299 68.604 68.868 0.059 0.000 0.874 226 T HN 0.573 nan 8.240 nan 0.000 0.455 227 G N 1.743 110.309 108.800 -0.390 0.000 2.421 227 G HA2 -0.184 3.763 3.960 -0.022 0.000 0.217 227 G HA3 -0.184 3.763 3.960 -0.022 0.000 0.217 227 G C 1.635 176.340 174.900 -0.326 0.000 1.143 227 G CA 0.363 45.081 45.100 -0.637 0.000 0.784 227 G HN 0.369 nan 8.290 nan 0.000 0.541 228 N N 0.523 119.117 118.700 -0.177 0.000 2.188 228 N HA -0.003 4.724 4.740 -0.022 0.000 0.184 228 N C 2.235 177.697 175.510 -0.080 0.000 1.018 228 N CA 0.453 53.440 53.050 -0.106 0.000 0.858 228 N CB -0.286 38.153 38.487 -0.081 0.000 0.989 228 N HN 0.286 nan 8.380 nan 0.000 0.426 229 L N 0.505 121.657 121.223 -0.119 0.000 2.017 229 L HA -0.123 4.204 4.340 -0.022 0.000 0.208 229 L C 2.194 178.996 176.870 -0.112 0.000 1.073 229 L CA 0.903 55.685 54.840 -0.097 0.000 0.745 229 L CB -0.443 41.555 42.059 -0.102 0.000 0.894 229 L HN 0.136 nan 8.230 nan 0.000 0.432 230 L N -1.231 119.849 121.223 -0.238 0.000 2.046 230 L HA -0.272 4.055 4.340 -0.022 0.000 0.208 230 L C 2.760 179.518 176.870 -0.187 0.000 1.077 230 L CA 1.186 55.855 54.840 -0.285 0.000 0.747 230 L CB -0.806 40.887 42.059 -0.610 0.000 0.896 230 L HN 0.391 nan 8.230 nan 0.000 0.432 231 H N -0.152 118.762 119.070 -0.261 0.000 2.353 231 H HA -0.138 4.405 4.556 -0.022 0.000 0.300 231 H C 2.330 177.638 175.328 -0.035 0.000 1.090 231 H CA 1.851 57.802 56.048 -0.163 0.000 1.327 231 H CB 0.370 30.041 29.762 -0.151 0.000 1.383 231 H HN 0.273 nan 8.280 nan 0.000 0.508 232 S N 0.476 116.208 115.700 0.055 0.000 2.368 232 S HA -0.199 4.258 4.470 -0.022 0.000 0.225 232 S C 2.116 176.723 174.600 0.012 0.000 1.030 232 S CA 1.330 59.547 58.200 0.028 0.000 0.999 232 S CB -0.287 62.925 63.200 0.021 0.000 0.844 232 S HN 0.530 nan 8.310 nan 0.000 0.459 233 Q N -0.264 119.567 119.800 0.052 0.000 2.170 233 Q HA -0.090 4.237 4.340 -0.022 0.000 0.203 233 Q C 0.970 177.023 176.000 0.088 0.000 0.976 233 Q CA 1.284 57.134 55.803 0.079 0.000 0.858 233 Q CB -0.107 28.714 28.738 0.138 0.000 0.907 233 Q HN 0.512 nan 8.270 nan 0.000 0.433 234 F N -0.108 119.733 119.950 -0.182 0.000 2.765 234 F HA 0.274 4.788 4.527 -0.022 0.000 0.302 234 F C 1.164 176.839 175.800 -0.208 0.000 1.111 234 F CA 0.177 58.061 58.000 -0.193 0.000 1.359 234 F CB -0.114 38.752 39.000 -0.223 0.000 1.097 234 F HN -0.025 nan 8.300 nan 0.000 0.577 235 G N -0.231 108.534 108.800 -0.059 0.000 2.272 235 G HA2 0.347 4.294 3.960 -0.022 0.000 0.247 235 G HA3 0.347 4.294 3.960 -0.022 0.000 0.247 235 G C 1.153 176.012 174.900 -0.069 0.000 1.272 235 G CA 0.358 45.405 45.100 -0.089 0.000 0.921 235 G HN 0.667 nan 8.290 nan 0.000 0.495 236 G N 1.542 110.305 108.800 -0.062 0.000 2.176 236 G HA2 -0.244 3.703 3.960 -0.022 0.000 0.253 236 G HA3 -0.244 3.703 3.960 -0.022 0.000 0.253 236 G C 0.452 175.309 174.900 -0.071 0.000 0.979 236 G CA 0.437 45.502 45.100 -0.058 0.000 0.641 236 G HN 0.864 nan 8.290 nan 0.000 0.530 237 Q N 0.252 120.003 119.800 -0.081 0.000 2.851 237 Q HA 0.266 4.593 4.340 -0.022 0.000 0.331 237 Q C -1.766 174.206 176.000 -0.046 0.000 0.979 237 Q CA -1.573 54.172 55.803 -0.096 0.000 0.955 237 Q CB 1.819 30.441 28.738 -0.194 0.000 1.298 237 Q HN 0.339 nan 8.270 nan 0.000 0.432 238 P HA -0.217 nan 4.420 nan 0.000 0.230 238 P C 1.107 178.399 177.300 -0.013 0.000 1.158 238 P CA 0.986 64.080 63.100 -0.011 0.000 0.769 238 P CB 0.348 32.040 31.700 -0.013 0.000 0.807 239 Q N -0.108 119.672 119.800 -0.034 0.000 2.291 239 Q HA -0.073 4.254 4.340 -0.022 0.000 0.205 239 Q C 0.314 176.291 176.000 -0.038 0.000 0.970 239 Q CA 1.108 56.885 55.803 -0.043 0.000 0.876 239 Q CB -0.556 28.148 28.738 -0.056 0.000 0.935 239 Q HN 0.165 nan 8.270 nan 0.000 0.455 240 K N 1.437 121.832 120.400 -0.008 0.000 2.201 240 K HA 0.382 4.689 4.320 -0.022 0.000 0.278 240 K C -0.358 176.281 176.600 0.066 0.000 1.027 240 K CA -0.734 55.578 56.287 0.042 0.000 0.909 240 K CB 1.813 34.387 32.500 0.123 0.000 1.062 240 K HN 0.172 nan 8.250 nan 0.000 0.465 241 I N 4.213 124.771 120.570 -0.020 0.000 2.342 241 I HA 0.175 4.331 4.170 -0.022 0.000 0.291 241 I C -0.776 175.357 176.117 0.026 0.000 1.010 241 I CA -0.614 60.675 61.300 -0.018 0.000 1.308 241 I CB 0.442 38.364 38.000 -0.131 0.000 1.400 241 I HN 0.326 nan 8.210 nan 0.000 0.488 242 L N 7.886 129.097 121.223 -0.020 0.000 2.325 242 L HA 0.732 5.058 4.340 -0.022 0.000 0.278 242 L C -0.271 176.549 176.870 -0.083 0.000 1.023 242 L CA -0.774 53.992 54.840 -0.125 0.000 0.811 242 L CB 1.671 43.559 42.059 -0.285 0.000 1.249 242 L HN 0.663 nan 8.230 nan 0.000 0.431 243 A N 4.881 127.631 122.820 -0.116 0.000 2.357 243 A HA 0.750 5.057 4.320 -0.022 0.000 0.295 243 A C -0.960 176.548 177.584 -0.127 0.000 1.121 243 A CA -0.399 51.460 52.037 -0.296 0.000 0.742 243 A CB 0.940 19.338 19.000 -1.003 0.000 1.181 243 A HN 0.659 nan 8.150 nan 0.000 0.454 244 L N 3.269 124.470 121.223 -0.037 0.000 2.319 244 L HA 0.512 4.839 4.340 -0.022 0.000 0.281 244 L C -0.370 176.582 176.870 0.136 0.000 1.005 244 L CA -0.608 54.295 54.840 0.105 0.000 0.828 244 L CB 1.529 43.602 42.059 0.024 0.000 1.227 244 L HN 0.668 nan 8.230 nan 0.000 0.415 248 G N -1.250 107.361 108.800 -0.315 0.000 2.687 248 G HA2 0.511 4.458 3.960 -0.022 0.000 0.291 248 G HA3 0.511 4.458 3.960 -0.022 0.000 0.291 248 G C -1.737 172.823 174.900 -0.567 0.000 1.420 248 G CA -0.353 44.480 45.100 -0.446 0.000 0.796 248 G HN 0.976 nan 8.290 nan 0.000 0.485 249 N N 0.618 119.133 118.700 -0.308 0.000 2.790 249 N HA 0.162 4.889 4.740 -0.022 0.000 0.256 249 N C -1.021 174.487 175.510 -0.004 0.000 1.409 249 N CA -0.587 52.383 53.050 -0.133 0.000 0.799 249 N CB 0.165 38.639 38.487 -0.021 0.000 1.170 249 N HN 0.369 nan 8.380 nan 0.000 0.507 250 N N 2.485 121.187 118.700 0.003 0.000 2.430 250 N HA 0.314 5.041 4.740 -0.022 0.000 0.265 250 N C -2.591 172.956 175.510 0.061 0.000 1.100 250 N CA -0.874 52.200 53.050 0.040 0.000 0.961 250 N CB 1.368 39.880 38.487 0.041 0.000 1.075 250 N HN 0.401 nan 8.380 nan 0.000 0.478 251 P HA 0.253 nan 4.420 nan 0.000 0.288 251 P C -0.748 176.633 177.300 0.135 0.000 1.267 251 P CA -0.698 62.465 63.100 0.105 0.000 0.815 251 P CB 1.258 33.024 31.700 0.111 0.000 0.989 252 L N 4.357 125.647 121.223 0.112 0.000 2.343 252 L HA 0.391 4.718 4.340 -0.022 0.000 0.278 252 L C -1.065 175.873 176.870 0.113 0.000 0.996 252 L CA -0.704 54.200 54.840 0.107 0.000 0.831 252 L CB 1.600 43.698 42.059 0.066 0.000 1.232 252 L HN 0.050 nan 8.230 nan 0.000 0.413 253 V N 5.932 125.900 119.914 0.089 0.000 2.394 253 V HA 0.479 4.586 4.120 -0.022 0.000 0.282 253 V C -0.290 175.892 176.094 0.147 0.000 1.031 253 V CA -0.603 61.762 62.300 0.108 0.000 0.881 253 V CB 1.643 33.482 31.823 0.027 0.000 0.982 253 V HN 0.491 nan 8.190 nan 0.000 0.451 254 V N 5.192 125.264 119.914 0.263 0.000 2.305 254 V HA 0.313 4.420 4.120 -0.022 0.000 0.275 254 V C 0.340 176.638 176.094 0.340 0.000 1.020 254 V CA -0.674 61.790 62.300 0.272 0.000 0.811 254 V CB 0.822 32.816 31.823 0.286 0.000 1.031 254 V HN 0.901 nan 8.190 nan 0.000 0.439 255 E N 2.326 122.670 120.200 0.240 0.000 2.409 255 E HA 0.114 4.451 4.350 -0.022 0.000 0.257 255 E C 0.241 176.698 176.600 -0.237 0.000 1.150 255 E CA -0.354 56.108 56.400 0.103 0.000 0.942 255 E CB 1.277 30.991 29.700 0.023 0.000 0.979 255 E HN 0.713 nan 8.360 nan 0.000 0.447 256 E N 1.488 121.313 120.200 -0.625 0.000 2.498 256 E HA 0.044 4.381 4.350 -0.022 0.000 0.252 256 E C -0.693 175.323 176.600 -0.973 0.000 1.025 256 E CA -0.346 55.039 56.400 -1.692 0.000 0.938 256 E CB 0.340 29.267 29.700 -1.288 0.000 0.947 256 E HN 0.287 nan 8.360 nan 0.000 0.478 257 V N 1.401 120.835 119.914 -0.801 0.000 2.960 257 V HA 0.663 4.769 4.120 -0.022 0.000 0.315 257 V C 0.937 176.988 176.094 -0.072 0.000 1.087 257 V CA -0.066 62.092 62.300 -0.237 0.000 0.982 257 V CB 1.366 33.168 31.823 -0.036 0.000 1.039 257 V HN 0.731 nan 8.190 nan 0.000 0.437 258 A N 0.865 123.661 122.820 -0.040 0.000 1.902 258 A HA -0.074 4.233 4.320 -0.022 0.000 0.217 258 A C 1.283 178.922 177.584 0.091 0.000 1.181 258 A CA 1.934 53.982 52.037 0.019 0.000 0.623 258 A CB -0.532 18.462 19.000 -0.010 0.000 0.818 258 A HN 0.995 nan 8.150 nan 0.000 0.443 259 D N 0.079 120.525 120.400 0.076 0.000 2.524 259 D HA 0.248 4.875 4.640 -0.022 0.000 0.222 259 D C 0.950 177.328 176.300 0.130 0.000 1.142 259 D CA -0.290 53.756 54.000 0.075 0.000 0.973 259 D CB 0.244 41.056 40.800 0.021 0.000 1.025 259 D HN 0.304 nan 8.370 nan 0.000 0.519 260 L N 2.810 124.144 121.223 0.184 0.000 2.046 260 L HA -0.151 4.176 4.340 -0.022 0.000 0.208 260 L C 1.188 178.103 176.870 0.075 0.000 1.077 260 L CA 1.454 56.407 54.840 0.188 0.000 0.747 260 L CB 0.159 42.287 42.059 0.115 0.000 0.896 260 L HN 0.148 nan 8.230 nan 0.000 0.432 261 D N 0.328 120.753 120.400 0.042 0.000 2.144 261 D HA -0.166 4.461 4.640 -0.022 0.000 0.199 261 D C 2.240 178.570 176.300 0.051 0.000 0.984 261 D CA 1.415 55.430 54.000 0.025 0.000 0.834 261 D CB -0.113 40.687 40.800 -0.001 0.000 0.955 261 D HN 0.540 nan 8.370 nan 0.000 0.465 262 A N 0.934 123.780 122.820 0.044 0.000 1.902 262 A HA -0.053 4.254 4.320 -0.022 0.000 0.217 262 A C 2.306 179.951 177.584 0.101 0.000 1.181 262 A CA 2.152 54.220 52.037 0.052 0.000 0.623 262 A CB -0.657 18.350 19.000 0.011 0.000 0.818 262 A HN 0.238 nan 8.150 nan 0.000 0.443 263 A N -0.639 122.240 122.820 0.099 0.000 1.898 263 A HA 0.029 4.336 4.320 -0.022 0.000 0.216 263 A C 2.220 179.856 177.584 0.086 0.000 1.181 263 A CA 1.674 53.776 52.037 0.108 0.000 0.620 263 A CB -0.890 18.216 19.000 0.177 0.000 0.819 263 A HN 0.367 nan 8.150 nan 0.000 0.442 264 V N -1.390 118.566 119.914 0.071 0.000 2.343 264 V HA -0.289 3.818 4.120 -0.022 0.000 0.247 264 V C 2.346 178.475 176.094 0.058 0.000 1.051 264 V CA 2.177 64.501 62.300 0.042 0.000 1.036 264 V CB -0.971 30.863 31.823 0.019 0.000 0.654 264 V HN 0.724 nan 8.190 nan 0.000 0.451 265 Y N 1.395 121.678 120.300 -0.027 0.000 2.181 265 Y HA -0.263 4.279 4.550 -0.012 0.000 0.288 265 Y C 2.658 178.548 175.900 -0.017 0.000 1.146 265 Y CA 2.304 60.383 58.100 -0.035 0.000 1.164 265 Y CB -0.529 37.910 38.460 -0.036 0.000 0.982 265 Y HN 0.240 nan 8.280 nan 0.000 0.515 266 T N 1.057 115.666 114.554 0.091 0.000 2.788 266 T HA -0.182 4.155 4.350 -0.022 0.000 0.268 266 T C 1.958 176.622 174.700 -0.060 0.000 1.044 266 T CA 1.905 64.015 62.100 0.015 0.000 1.139 266 T CB -0.415 68.489 68.868 0.060 0.000 0.867 266 T HN 0.345 nan 8.240 nan 0.000 0.454 267 I N 0.500 121.040 120.570 -0.050 0.000 2.179 267 I HA -0.126 4.030 4.170 -0.022 0.000 0.242 267 I C 2.240 178.243 176.117 -0.190 0.000 1.088 267 I CA 1.286 62.530 61.300 -0.094 0.000 1.357 267 I CB -0.375 37.588 38.000 -0.061 0.000 1.051 267 I HN 0.201 nan 8.210 nan 0.000 0.409 268 I N 0.233 120.696 120.570 -0.178 0.000 2.208 268 I HA -0.306 3.851 4.170 -0.022 0.000 0.245 268 I C 2.594 178.646 176.117 -0.109 0.000 1.097 268 I CA 1.200 62.403 61.300 -0.163 0.000 1.363 268 I CB -0.386 37.515 38.000 -0.166 0.000 1.051 268 I HN 0.318 nan 8.210 nan 0.000 0.413 269 Q N 0.128 119.812 119.800 -0.192 0.000 2.170 269 Q HA -0.122 4.205 4.340 -0.022 0.000 0.203 269 Q C 2.422 178.425 176.000 0.005 0.000 0.976 269 Q CA 1.428 57.205 55.803 -0.042 0.000 0.858 269 Q CB -0.376 28.274 28.738 -0.146 0.000 0.907 269 Q HN 0.446 nan 8.270 nan 0.000 0.433 270 S N 0.484 116.145 115.700 -0.065 0.000 2.387 270 S HA 0.013 4.470 4.470 -0.022 0.000 0.226 270 S C 1.853 176.387 174.600 -0.109 0.000 1.026 270 S CA 0.938 59.105 58.200 -0.055 0.000 0.972 270 S CB 0.065 63.235 63.200 -0.051 0.000 0.814 270 S HN 0.491 nan 8.310 nan 0.000 0.477 271 A N -0.083 122.572 122.820 -0.275 0.000 1.973 271 A HA 0.367 4.673 4.320 -0.022 0.000 0.210 271 A C 1.229 178.635 177.584 -0.297 0.000 1.200 271 A CA 0.528 52.283 52.037 -0.471 0.000 0.707 271 A CB -0.131 18.255 19.000 -1.023 0.000 0.862 271 A HN 0.458 nan 8.150 nan 0.000 0.461 272 F N -0.918 119.103 119.950 0.120 0.000 2.728 272 F HA 0.428 4.941 4.527 -0.023 0.000 0.314 272 F C 0.628 176.542 175.800 0.189 0.000 1.094 272 F CA -1.685 56.423 58.000 0.181 0.000 1.217 272 F CB -0.174 38.989 39.000 0.270 0.000 1.056 272 F HN 0.040 nan 8.300 nan 0.000 0.577 273 I N 0.676 121.427 120.570 0.301 0.000 2.815 273 I HA -0.094 4.062 4.170 -0.022 0.000 0.291 273 I C 0.865 176.909 176.117 -0.122 0.000 1.209 273 I CA 0.721 62.017 61.300 -0.005 0.000 1.431 273 I CB 0.424 38.468 38.000 0.073 0.000 1.351 273 I HN 0.272 nan 8.210 nan 0.000 0.585 274 S N 4.624 120.156 115.700 -0.279 0.000 3.521 274 S HA -0.266 4.190 4.470 -0.022 0.000 0.328 274 S C 0.647 175.150 174.600 -0.161 0.000 1.165 274 S CA 0.820 58.863 58.200 -0.263 0.000 0.941 274 S CB -1.839 61.181 63.200 -0.301 0.000 0.951 274 S HN 1.867 nan 8.310 nan 0.000 0.539 275 A N -1.368 121.396 122.820 -0.092 0.000 2.822 275 A HA 0.166 4.473 4.320 -0.022 0.000 0.287 275 A C 2.075 179.664 177.584 0.009 0.000 1.479 275 A CA 1.487 53.524 52.037 -0.000 0.000 0.779 275 A CB -2.177 16.810 19.000 -0.020 0.000 1.022 275 A HN 2.588 nan 8.150 nan 0.000 0.532 276 G N -2.194 106.614 108.800 0.013 0.000 2.153 276 G HA2 -0.308 3.639 3.960 -0.022 0.000 0.252 276 G HA3 -0.308 3.639 3.960 -0.022 0.000 0.252 276 G C 0.270 174.958 174.900 -0.354 0.000 0.994 276 G CA 0.981 46.047 45.100 -0.055 0.000 0.698 276 G HN 1.356 nan 8.290 nan 0.000 0.521 277 Q N -0.525 119.033 119.800 -0.404 0.000 2.201 277 Q HA 0.216 4.543 4.340 -0.022 0.000 0.217 277 Q C 1.064 176.745 176.000 -0.532 0.000 0.860 277 Q CA -0.199 55.142 55.803 -0.771 0.000 0.984 277 Q CB 0.513 29.119 28.738 -0.219 0.000 1.095 277 Q HN 0.545 nan 8.270 nan 0.000 0.477 278 R N -0.137 120.179 120.500 -0.307 0.000 2.486 278 R HA 0.177 4.504 4.340 -0.022 0.000 0.286 278 R C 1.172 177.543 176.300 0.120 0.000 0.999 278 R CA -0.346 55.772 56.100 0.030 0.000 0.993 278 R CB 0.847 31.230 30.300 0.139 0.000 1.084 278 R HN 0.275 nan 8.270 nan 0.000 0.487 279 C N -0.488 119.014 119.300 0.337 0.000 2.403 279 C HA -0.137 4.310 4.460 -0.022 0.000 0.277 279 C C 2.251 177.381 174.990 0.233 0.000 1.248 279 C CA 1.090 60.316 59.018 0.346 0.000 1.762 279 C CB -1.482 26.475 27.740 0.362 0.000 2.014 279 C HN 0.902 nan 8.230 nan 0.000 0.486 280 T N -2.777 111.920 114.554 0.237 0.000 3.129 280 T HA 0.158 4.495 4.350 -0.022 0.000 0.251 280 T C 0.518 175.277 174.700 0.099 0.000 1.117 280 T CA -0.100 62.108 62.100 0.180 0.000 1.034 280 T CB -0.971 68.043 68.868 0.243 0.000 0.968 280 T HN 0.585 nan 8.240 nan 0.000 0.526 281 C N 2.936 122.268 119.300 0.055 0.000 2.634 281 C HA 0.590 5.037 4.460 -0.022 0.000 0.417 281 C C 1.477 176.465 174.990 -0.002 0.000 1.334 281 C CA -0.962 58.056 59.018 -0.000 0.000 1.829 281 C CB -0.896 26.807 27.740 -0.061 0.000 2.665 281 C HN 0.756 nan 8.230 nan 0.000 0.614 282 A N 4.338 127.143 122.820 -0.025 0.000 2.492 282 A HA 0.261 4.568 4.320 -0.022 0.000 0.254 282 A C 1.234 178.806 177.584 -0.020 0.000 1.091 282 A CA 0.245 52.270 52.037 -0.019 0.000 0.768 282 A CB 0.242 19.213 19.000 -0.048 0.000 1.028 282 A HN 0.945 nan 8.150 nan 0.000 0.498 283 R N 1.197 121.710 120.500 0.021 0.000 2.344 283 R HA 0.133 4.460 4.340 -0.022 0.000 0.209 283 R C -0.139 176.210 176.300 0.082 0.000 0.886 283 R CA 0.516 56.650 56.100 0.057 0.000 1.040 283 R CB 0.458 30.791 30.300 0.055 0.000 1.114 283 R HN 0.787 nan 8.270 nan 0.000 0.547 284 R N 0.630 121.171 120.500 0.069 0.000 2.575 284 R HA 0.389 4.715 4.340 -0.022 0.000 0.293 284 R C -1.378 174.969 176.300 0.078 0.000 0.983 284 R CA -0.817 55.334 56.100 0.084 0.000 0.887 284 R CB 2.258 32.612 30.300 0.091 0.000 1.184 284 R HN -0.169 nan 8.270 nan 0.000 0.445 285 L N 3.922 125.196 121.223 0.085 0.000 2.298 285 L HA 0.436 4.763 4.340 -0.022 0.000 0.284 285 L C -1.560 175.396 176.870 0.142 0.000 1.013 285 L CA -0.718 54.178 54.840 0.094 0.000 0.824 285 L CB 1.240 43.338 42.059 0.065 0.000 1.221 285 L HN 0.421 nan 8.230 nan 0.000 0.418 286 L N 6.554 127.889 121.223 0.186 0.000 2.272 286 L HA 0.603 4.929 4.340 -0.022 0.000 0.289 286 L C -0.489 176.648 176.870 0.445 0.000 1.032 286 L CA -0.250 54.771 54.840 0.302 0.000 0.810 286 L CB 1.554 43.739 42.059 0.211 0.000 1.205 286 L HN 0.314 nan 8.230 nan 0.000 0.422 287 V N 5.193 125.331 119.914 0.373 0.000 2.577 287 V HA 0.521 4.628 4.120 -0.022 0.000 0.303 287 V C -2.218 173.749 176.094 -0.210 0.000 1.042 287 V CA -1.634 60.778 62.300 0.188 0.000 0.872 287 V CB 2.230 34.124 31.823 0.118 0.000 0.998 287 V HN 0.574 nan 8.190 nan 0.000 0.423 288 P HA 0.121 nan 4.420 nan 0.000 0.271 288 P C -0.647 176.474 177.300 -0.298 0.000 1.218 288 P CA -0.229 62.356 63.100 -0.857 0.000 0.780 288 P CB 0.689 32.111 31.700 -0.465 0.000 0.901 289 Q N 0.779 120.433 119.800 -0.243 0.000 2.421 289 Q HA 0.422 4.749 4.340 -0.022 0.000 0.255 289 Q C 0.995 176.979 176.000 -0.027 0.000 1.013 289 Q CA 1.017 56.771 55.803 -0.081 0.000 0.895 289 Q CB 0.296 29.009 28.738 -0.042 0.000 1.271 289 Q HN 0.895 nan 8.270 nan 0.000 0.460 290 G N -0.460 108.345 108.800 0.007 0.000 2.384 290 G HA2 0.013 3.959 3.960 -0.022 0.000 0.668 290 G HA3 0.013 3.959 3.960 -0.022 0.000 0.668 290 G C 0.283 175.216 174.900 0.056 0.000 1.280 290 G CA -0.011 45.111 45.100 0.036 0.000 0.992 290 G HN 0.580 nan 8.290 nan 0.000 0.512 291 A N -1.031 121.831 122.820 0.070 0.000 1.877 291 A HA 0.086 4.393 4.320 -0.022 0.000 0.216 291 A C 2.120 179.749 177.584 0.076 0.000 1.186 291 A CA 2.538 54.610 52.037 0.059 0.000 0.620 291 A CB -0.805 18.232 19.000 0.062 0.000 0.822 291 A HN 1.587 nan 8.150 nan 0.000 0.443 292 W N 0.630 121.918 121.300 -0.019 0.000 2.355 292 W HA -0.071 4.573 4.660 -0.026 0.000 0.309 292 W C 2.269 178.778 176.519 -0.018 0.000 1.206 292 W CA 2.161 59.497 57.345 -0.016 0.000 1.284 292 W CB -0.524 28.928 29.460 -0.014 0.000 1.145 292 W HN 0.277 nan 8.180 nan 0.000 0.502 293 G N 0.072 109.012 108.800 0.233 0.000 2.442 293 G HA2 -0.325 3.622 3.960 -0.022 0.000 0.219 293 G HA3 -0.325 3.622 3.960 -0.022 0.000 0.219 293 G C 1.124 175.946 174.900 -0.129 0.000 1.141 293 G CA 1.479 46.613 45.100 0.056 0.000 0.763 293 G HN 0.234 nan 8.290 nan 0.000 0.554 294 D N 0.896 121.241 120.400 -0.091 0.000 2.117 294 D HA -0.000 4.626 4.640 -0.022 0.000 0.197 294 D C 2.799 178.999 176.300 -0.166 0.000 0.987 294 D CA 1.222 55.163 54.000 -0.098 0.000 0.829 294 D CB -0.470 40.297 40.800 -0.056 0.000 0.961 294 D HN 0.317 nan 8.370 nan 0.000 0.460 295 A N 0.616 123.286 122.820 -0.250 0.000 1.898 295 A HA -0.101 4.205 4.320 -0.022 0.000 0.216 295 A C 2.199 179.554 177.584 -0.381 0.000 1.181 295 A CA 0.973 52.832 52.037 -0.297 0.000 0.620 295 A CB -0.788 18.010 19.000 -0.336 0.000 0.819 295 A HN 0.261 nan 8.150 nan 0.000 0.442 296 L N -0.299 120.555 121.223 -0.614 0.000 1.989 296 L HA -0.174 4.153 4.340 -0.022 0.000 0.211 296 L C 2.356 179.070 176.870 -0.260 0.000 1.071 296 L CA 1.871 56.375 54.840 -0.560 0.000 0.749 296 L CB -0.316 41.286 42.059 -0.761 0.000 0.890 296 L HN 0.407 nan 8.230 nan 0.000 0.431 297 L N -0.641 120.468 121.223 -0.190 0.000 2.017 297 L HA -0.176 4.151 4.340 -0.022 0.000 0.208 297 L C 2.740 179.566 176.870 -0.074 0.000 1.073 297 L CA 1.224 56.010 54.840 -0.090 0.000 0.745 297 L CB -0.870 41.156 42.059 -0.054 0.000 0.894 297 L HN 0.403 nan 8.230 nan 0.000 0.432 298 A N -0.051 122.713 122.820 -0.094 0.000 1.933 298 A HA -0.252 4.054 4.320 -0.022 0.000 0.218 298 A C 2.327 179.870 177.584 -0.068 0.000 1.175 298 A CA 1.844 53.839 52.037 -0.070 0.000 0.628 298 A CB -0.471 18.485 19.000 -0.074 0.000 0.814 298 A HN 0.285 nan 8.150 nan 0.000 0.444 299 R N -0.444 119.999 120.500 -0.095 0.000 2.075 299 R HA -0.074 4.253 4.340 -0.022 0.000 0.232 299 R C 1.896 178.168 176.300 -0.046 0.000 1.126 299 R CA 1.599 57.654 56.100 -0.076 0.000 0.963 299 R CB -0.885 29.354 30.300 -0.102 0.000 0.858 299 R HN 0.423 nan 8.270 nan 0.000 0.435 300 L N -0.150 121.047 121.223 -0.043 0.000 2.012 300 L HA -0.134 4.192 4.340 -0.022 0.000 0.210 300 L C 2.039 178.924 176.870 0.026 0.000 1.073 300 L CA 1.717 56.558 54.840 0.002 0.000 0.748 300 L CB -0.668 41.397 42.059 0.009 0.000 0.891 300 L HN 0.088 nan 8.230 nan 0.000 0.431 301 V N -0.004 119.916 119.914 0.010 0.000 2.295 301 V HA -0.308 3.799 4.120 -0.022 0.000 0.246 301 V C 2.791 178.879 176.094 -0.009 0.000 1.049 301 V CA 1.704 64.010 62.300 0.010 0.000 1.024 301 V CB -1.254 30.568 31.823 -0.002 0.000 0.648 301 V HN 0.642 nan 8.190 nan 0.000 0.447 302 A N -0.375 122.434 122.820 -0.020 0.000 1.877 302 A HA -0.168 4.139 4.320 -0.022 0.000 0.216 302 A C 2.359 179.928 177.584 -0.025 0.000 1.186 302 A CA 2.207 54.229 52.037 -0.025 0.000 0.620 302 A CB -0.660 18.321 19.000 -0.030 0.000 0.822 302 A HN 0.353 nan 8.150 nan 0.000 0.443 303 V N -0.195 119.707 119.914 -0.021 0.000 2.453 303 V HA -0.168 3.938 4.120 -0.022 0.000 0.247 303 V C 2.702 178.777 176.094 -0.033 0.000 1.048 303 V CA 2.137 64.422 62.300 -0.025 0.000 1.049 303 V CB -0.711 31.102 31.823 -0.016 0.000 0.672 303 V HN 0.544 nan 8.190 nan 0.000 0.457 304 S N 0.673 116.367 115.700 -0.010 0.000 2.399 304 S HA -0.128 4.329 4.470 -0.022 0.000 0.231 304 S C 2.133 176.684 174.600 -0.082 0.000 1.022 304 S CA 1.280 59.461 58.200 -0.032 0.000 0.983 304 S CB -0.412 62.807 63.200 0.031 0.000 0.803 304 S HN 0.644 nan 8.310 nan 0.000 0.480 305 A N 1.358 124.144 122.820 -0.058 0.000 2.121 305 A HA -0.047 4.260 4.320 -0.022 0.000 0.218 305 A C 2.237 179.793 177.584 -0.048 0.000 1.154 305 A CA 1.660 53.663 52.037 -0.057 0.000 0.679 305 A CB -0.777 18.198 19.000 -0.042 0.000 0.795 305 A HN 0.603 nan 8.150 nan 0.000 0.458 306 T N -2.574 111.953 114.554 -0.045 0.000 3.060 306 T HA 0.359 4.696 4.350 -0.022 0.000 0.249 306 T C 0.520 175.199 174.700 -0.034 0.000 1.079 306 T CA -0.329 61.749 62.100 -0.036 0.000 1.013 306 T CB -0.535 68.312 68.868 -0.035 0.000 0.975 306 T HN 0.210 nan 8.240 nan 0.000 0.518 307 L N 2.392 123.587 121.223 -0.047 0.000 2.540 307 L HA 0.201 4.527 4.340 -0.022 0.000 0.276 307 L C 0.920 177.817 176.870 0.045 0.000 1.212 307 L CA -0.230 54.596 54.840 -0.023 0.000 0.893 307 L CB 0.242 42.284 42.059 -0.028 0.000 1.138 307 L HN 0.140 nan 8.230 nan 0.000 0.491 308 R N 2.644 123.197 120.500 0.089 0.000 2.351 308 R HA 0.281 4.608 4.340 -0.022 0.000 0.318 308 R C -0.901 175.483 176.300 0.140 0.000 1.055 308 R CA -0.265 55.892 56.100 0.095 0.000 0.968 308 R CB 0.699 31.050 30.300 0.085 0.000 0.974 308 R HN 0.350 nan 8.270 nan 0.000 0.439 309 V N 3.105 123.071 119.914 0.087 0.000 2.409 309 V HA 0.706 4.813 4.120 -0.022 0.000 0.291 309 V C 0.638 176.767 176.094 0.059 0.000 1.020 309 V CA -0.426 61.922 62.300 0.080 0.000 0.848 309 V CB 1.581 33.431 31.823 0.045 0.000 0.990 309 V HN 1.038 nan 8.190 nan 0.000 0.430 310 G N 4.355 113.194 108.800 0.065 0.000 2.570 310 G HA2 0.455 4.401 3.960 -0.022 0.000 0.310 310 G HA3 0.455 4.401 3.960 -0.022 0.000 0.310 310 G C -1.171 173.764 174.900 0.058 0.000 1.266 310 G CA -1.100 44.029 45.100 0.049 0.000 0.825 310 G HN 0.513 nan 8.290 nan 0.000 0.483 311 R N -0.371 120.151 120.500 0.037 0.000 2.641 311 R HA 0.321 4.648 4.340 -0.022 0.000 0.269 311 R C 1.531 177.852 176.300 0.035 0.000 1.074 311 R CA 0.074 56.203 56.100 0.048 0.000 1.133 311 R CB 0.503 30.792 30.300 -0.019 0.000 1.029 311 R HN 0.575 nan 8.270 nan 0.000 0.488 312 F N 0.956 120.917 119.950 0.018 0.000 2.161 312 F HA -0.171 4.342 4.527 -0.022 0.000 0.300 312 F C 1.095 176.917 175.800 0.037 0.000 1.089 312 F CA 1.267 59.277 58.000 0.017 0.000 1.282 312 F CB -0.140 38.858 39.000 -0.003 0.000 1.010 312 F HN 0.481 nan 8.300 nan 0.000 0.485 313 D N -0.109 119.719 120.400 -0.953 0.000 2.462 313 D HA 0.061 4.688 4.640 -0.022 0.000 0.221 313 D C 0.165 176.266 176.300 -0.331 0.000 1.173 313 D CA -0.394 53.181 54.000 -0.708 0.000 0.831 313 D CB -0.863 39.284 40.800 -1.088 0.000 1.001 313 D HN 0.619 nan 8.370 nan 0.000 0.499 314 E N 0.578 120.651 120.200 -0.213 0.000 2.404 314 E HA 0.057 4.394 4.350 -0.022 0.000 0.261 314 E C -0.460 176.107 176.600 -0.055 0.000 1.074 314 E CA 0.004 56.342 56.400 -0.104 0.000 0.917 314 E CB 0.540 30.209 29.700 -0.052 0.000 0.965 314 E HN 0.024 nan 8.360 nan 0.000 0.433 315 Q N 3.258 123.033 119.800 -0.042 0.000 2.305 315 Q HA 0.347 4.674 4.340 -0.022 0.000 0.271 315 Q C -2.280 173.710 176.000 -0.018 0.000 1.046 315 Q CA -1.914 53.875 55.803 -0.024 0.000 0.798 315 Q CB 1.700 30.422 28.738 -0.027 0.000 1.286 315 Q HN 0.564 nan 8.270 nan 0.000 0.435 316 P HA 0.138 nan 4.420 nan 0.000 0.269 316 P C -0.883 176.419 177.300 0.004 0.000 1.209 316 P CA -0.157 62.938 63.100 -0.009 0.000 0.776 316 P CB 0.466 32.159 31.700 -0.011 0.000 0.876 317 A N 4.046 126.872 122.820 0.010 0.000 2.511 317 A HA 0.349 4.655 4.320 -0.022 0.000 0.242 317 A C -2.021 175.607 177.584 0.073 0.000 1.069 317 A CA -0.719 51.350 52.037 0.052 0.000 0.763 317 A CB -1.049 17.991 19.000 0.066 0.000 1.001 317 A HN 0.399 nan 8.150 nan 0.000 0.498 318 P HA 0.353 nan 4.420 nan 0.000 0.276 318 P C -0.111 177.366 177.300 0.295 0.000 1.244 318 P CA -0.465 62.739 63.100 0.173 0.000 0.801 318 P CB 0.402 32.194 31.700 0.154 0.000 1.006 322 A N -0.814 122.020 122.820 0.023 0.000 2.346 322 A HA 0.686 4.993 4.320 -0.022 0.000 0.252 322 A C 1.089 178.680 177.584 0.012 0.000 1.089 322 A CA 0.427 52.475 52.037 0.019 0.000 0.797 322 A CB 0.199 19.213 19.000 0.024 0.000 1.047 322 A HN 2.140 nan 8.150 nan 0.000 0.494 323 V N -0.297 119.630 119.914 0.022 0.000 3.385 323 V HA 0.267 4.374 4.120 -0.022 0.000 0.301 323 V C 1.372 177.467 176.094 0.002 0.000 1.082 323 V CA 0.291 62.614 62.300 0.038 0.000 1.085 323 V CB 0.219 32.084 31.823 0.069 0.000 1.152 323 V HN 0.867 nan 8.190 nan 0.000 0.465 324 I N 1.315 121.864 120.570 -0.035 0.000 2.493 324 I HA 0.037 4.194 4.170 -0.022 0.000 0.254 324 I C 1.034 177.065 176.117 -0.144 0.000 1.160 324 I CA 1.713 62.918 61.300 -0.159 0.000 1.445 324 I CB -0.227 37.457 38.000 -0.526 0.000 1.086 324 I HN 1.120 nan 8.210 nan 0.000 0.433 325 S N -2.455 113.185 115.700 -0.099 0.000 2.615 325 S HA 0.345 4.802 4.470 -0.022 0.000 0.269 325 S C 0.448 175.037 174.600 -0.020 0.000 1.161 325 S CA -0.760 57.401 58.200 -0.065 0.000 0.817 325 S CB 0.436 63.583 63.200 -0.089 0.000 1.131 325 S HN 0.045 nan 8.310 nan 0.000 0.467 326 L N 1.263 122.482 121.223 -0.007 0.000 2.083 326 L HA -0.056 4.271 4.340 -0.022 0.000 0.209 326 L C 2.944 179.828 176.870 0.023 0.000 1.083 326 L CA 1.714 56.560 54.840 0.011 0.000 0.752 326 L CB -0.625 41.441 42.059 0.011 0.000 0.899 326 L HN 0.913 nan 8.230 nan 0.000 0.433 327 S N -0.177 115.532 115.700 0.016 0.000 2.356 327 S HA -0.182 4.274 4.470 -0.022 0.000 0.223 327 S C 2.131 176.770 174.600 0.066 0.000 1.032 327 S CA 1.286 59.506 58.200 0.033 0.000 1.005 327 S CB -0.056 63.150 63.200 0.010 0.000 0.867 327 S HN 0.440 nan 8.310 nan 0.000 0.449 328 A N 1.150 123.998 122.820 0.046 0.000 1.930 328 A HA 0.259 4.566 4.320 -0.022 0.000 0.217 328 A C 2.434 180.103 177.584 0.142 0.000 1.175 328 A CA 1.760 53.858 52.037 0.102 0.000 0.627 328 A CB -1.260 17.777 19.000 0.062 0.000 0.815 328 A HN 0.755 nan 8.150 nan 0.000 0.443 329 A N -0.387 122.483 122.820 0.084 0.000 1.898 329 A HA -0.144 4.163 4.320 -0.022 0.000 0.216 329 A C 2.038 179.661 177.584 0.066 0.000 1.181 329 A CA 1.655 53.733 52.037 0.068 0.000 0.620 329 A CB -0.494 18.528 19.000 0.038 0.000 0.819 329 A HN 0.657 nan 8.150 nan 0.000 0.442 330 E N -0.841 119.402 120.200 0.071 0.000 2.077 330 E HA -0.282 4.055 4.350 -0.022 0.000 0.193 330 E C 1.983 178.633 176.600 0.083 0.000 0.989 330 E CA 1.240 57.678 56.400 0.063 0.000 0.800 330 E CB -0.393 29.345 29.700 0.063 0.000 0.746 330 E HN 0.818 nan 8.360 nan 0.000 0.452 331 H N 0.611 119.705 119.070 0.040 0.000 2.387 331 H HA -0.103 4.440 4.556 -0.022 0.000 0.299 331 H C 2.182 177.540 175.328 0.049 0.000 1.090 331 H CA 1.369 57.452 56.048 0.058 0.000 1.332 331 H CB 0.024 29.839 29.762 0.089 0.000 1.386 331 H HN 0.226 nan 8.280 nan 0.000 0.516 332 L N 0.283 121.514 121.223 0.013 0.000 2.109 332 L HA -0.143 4.184 4.340 -0.022 0.000 0.207 332 L C 2.836 179.618 176.870 -0.147 0.000 1.086 332 L CA 0.521 55.310 54.840 -0.084 0.000 0.760 332 L CB -0.225 41.858 42.059 0.040 0.000 0.910 332 L HN 0.209 nan 8.230 nan 0.000 0.437 333 L N -0.552 120.626 121.223 -0.075 0.000 2.141 333 L HA -0.183 4.143 4.340 -0.022 0.000 0.209 333 L C 2.510 179.328 176.870 -0.087 0.000 1.094 333 L CA 1.199 55.998 54.840 -0.069 0.000 0.763 333 L CB -0.380 41.662 42.059 -0.030 0.000 0.908 333 L HN 0.184 nan 8.230 nan 0.000 0.437 334 K N -0.002 120.339 120.400 -0.098 0.000 2.097 334 K HA -0.082 4.225 4.320 -0.022 0.000 0.205 334 K C 2.256 178.782 176.600 -0.124 0.000 1.050 334 K CA 1.140 57.375 56.287 -0.087 0.000 0.938 334 K CB -0.179 32.278 32.500 -0.071 0.000 0.718 334 K HN 0.265 nan 8.250 nan 0.000 0.442 335 A N 1.437 124.092 122.820 -0.274 0.000 1.902 335 A HA -0.254 4.053 4.320 -0.022 0.000 0.217 335 A C 2.149 179.566 177.584 -0.278 0.000 1.181 335 A CA 1.555 53.371 52.037 -0.369 0.000 0.623 335 A CB -0.507 17.968 19.000 -0.876 0.000 0.818 335 A HN 0.375 nan 8.150 nan 0.000 0.443 336 Q N -0.325 119.325 119.800 -0.250 0.000 2.050 336 Q HA -0.243 4.084 4.340 -0.022 0.000 0.202 336 Q C 2.090 178.042 176.000 -0.081 0.000 0.980 336 Q CA 1.894 57.602 55.803 -0.159 0.000 0.840 336 Q CB -0.265 28.400 28.738 -0.121 0.000 0.898 336 Q HN 0.775 nan 8.270 nan 0.000 0.424 337 E N -0.753 119.415 120.200 -0.053 0.000 2.070 337 E HA -0.320 4.017 4.350 -0.022 0.000 0.197 337 E C 1.927 178.533 176.600 0.010 0.000 1.004 337 E CA 1.617 58.007 56.400 -0.017 0.000 0.805 337 E CB -0.226 29.472 29.700 -0.003 0.000 0.744 337 E HN 0.566 nan 8.360 nan 0.000 0.451 338 H N 0.222 119.255 119.070 -0.061 0.000 2.321 338 H HA -0.066 4.477 4.556 -0.022 0.000 0.300 338 H C 2.108 177.427 175.328 -0.014 0.000 1.087 338 H CA 1.927 57.958 56.048 -0.029 0.000 1.319 338 H CB -0.244 29.506 29.762 -0.019 0.000 1.379 338 H HN 0.150 nan 8.280 nan 0.000 0.501 339 L N -0.218 120.947 121.223 -0.097 0.000 2.017 339 L HA -0.169 4.157 4.340 -0.022 0.000 0.208 339 L C 2.549 179.353 176.870 -0.110 0.000 1.073 339 L CA 1.449 56.220 54.840 -0.114 0.000 0.745 339 L CB -0.415 41.625 42.059 -0.032 0.000 0.894 339 L HN 0.355 nan 8.230 nan 0.000 0.432 340 I N -0.121 120.403 120.570 -0.076 0.000 2.264 340 I HA -0.239 3.918 4.170 -0.022 0.000 0.248 340 I C 2.577 178.654 176.117 -0.068 0.000 1.111 340 I CA 1.422 62.688 61.300 -0.056 0.000 1.382 340 I CB -0.808 37.169 38.000 -0.039 0.000 1.060 340 I HN 0.304 nan 8.210 nan 0.000 0.418 341 G N 0.761 109.505 108.800 -0.093 0.000 2.450 341 G HA2 -0.226 3.721 3.960 -0.022 0.000 0.220 341 G HA3 -0.226 3.721 3.960 -0.022 0.000 0.220 341 G C 1.593 176.425 174.900 -0.114 0.000 1.130 341 G CA 0.515 45.559 45.100 -0.093 0.000 0.760 341 G HN 0.371 nan 8.290 nan 0.000 0.557 342 K N -0.171 120.129 120.400 -0.167 0.000 2.417 342 K HA 0.320 4.627 4.320 -0.022 0.000 0.196 342 K C 1.381 177.942 176.600 -0.064 0.000 1.023 342 K CA 0.377 56.588 56.287 -0.128 0.000 1.122 342 K CB 0.441 32.833 32.500 -0.179 0.000 0.850 342 K HN 0.321 nan 8.250 nan 0.000 0.521 343 G N 0.737 109.506 108.800 -0.052 0.000 2.192 343 G HA2 -0.215 3.731 3.960 -0.022 0.000 0.193 343 G HA3 -0.215 3.731 3.960 -0.022 0.000 0.193 343 G C 0.173 175.064 174.900 -0.015 0.000 0.999 343 G CA -0.218 44.867 45.100 -0.025 0.000 0.659 343 G HN 0.394 nan 8.290 nan 0.000 0.503 344 A N 0.248 123.056 122.820 -0.021 0.000 2.462 344 A HA 0.594 4.901 4.320 -0.022 0.000 0.243 344 A C 0.432 178.013 177.584 -0.006 0.000 1.076 344 A CA 0.483 52.517 52.037 -0.005 0.000 0.773 344 A CB 0.356 19.353 19.000 -0.006 0.000 1.010 344 A HN 0.288 nan 8.150 nan 0.000 0.493 345 Q N 1.534 121.336 119.800 0.004 0.000 2.325 345 Q HA 0.361 4.688 4.340 -0.022 0.000 0.262 345 Q C -2.577 173.426 176.000 0.004 0.000 0.968 345 Q CA -2.040 53.764 55.803 0.002 0.000 0.877 345 Q CB 1.519 30.260 28.738 0.005 0.000 1.253 345 Q HN 0.401 nan 8.270 nan 0.000 0.448 346 P HA 0.130 nan 4.420 nan 0.000 0.273 346 P C 0.576 177.877 177.300 0.002 0.000 1.428 346 P CA 0.035 63.134 63.100 -0.001 0.000 0.995 346 P CB 0.228 31.922 31.700 -0.010 0.000 1.286 347 L N 2.014 123.243 121.223 0.011 0.000 2.083 347 L HA -0.038 4.289 4.340 -0.022 0.000 0.209 347 L C 0.917 177.790 176.870 0.005 0.000 1.083 347 L CA 1.322 56.167 54.840 0.009 0.000 0.752 347 L CB -0.203 41.867 42.059 0.019 0.000 0.899 347 L HN 0.289 nan 8.230 nan 0.000 0.433 348 L N -0.279 120.948 121.223 0.007 0.000 2.541 348 L HA 0.613 4.939 4.340 -0.022 0.000 0.266 348 L C -0.093 176.766 176.870 -0.018 0.000 0.966 348 L CA -0.418 54.417 54.840 -0.009 0.000 0.871 348 L CB 1.095 43.147 42.059 -0.012 0.000 1.232 348 L HN -0.075 nan 8.230 nan 0.000 0.408 352 Q N 1.528 121.319 119.800 -0.015 0.000 2.607 352 Q HA 0.392 4.718 4.340 -0.022 0.000 0.247 352 Q C -1.718 174.278 176.000 -0.006 0.000 1.033 352 Q CA -2.375 53.423 55.803 -0.008 0.000 0.769 352 Q CB 1.322 30.059 28.738 -0.003 0.000 1.169 352 Q HN 0.553 nan 8.270 nan 0.000 0.508 353 P HA -0.053 nan 4.420 nan 0.000 0.221 353 P C -0.023 177.276 177.300 -0.001 0.000 1.150 353 P CA 0.866 63.963 63.100 -0.005 0.000 0.800 353 P CB 0.491 32.187 31.700 -0.006 0.000 0.787 354 I N 1.324 121.896 120.570 0.003 0.000 2.382 354 I HA 0.196 4.353 4.170 -0.022 0.000 0.285 354 I C -0.262 175.859 176.117 0.007 0.000 1.007 354 I CA -1.013 60.291 61.300 0.006 0.000 1.142 354 I CB 1.397 39.403 38.000 0.009 0.000 1.289 354 I HN -0.282 nan 8.210 nan 0.000 0.453 355 D N 5.771 126.175 120.400 0.006 0.000 2.493 355 D HA 0.081 4.708 4.640 -0.022 0.000 0.240 355 D C 1.253 177.558 176.300 0.009 0.000 1.142 355 D CA 1.021 55.025 54.000 0.007 0.000 0.872 355 D CB 1.035 41.838 40.800 0.006 0.000 1.173 355 D HN 0.957 nan 8.370 nan 0.000 0.467 356 G N 0.911 109.717 108.800 0.010 0.000 2.155 356 G HA2 -0.106 3.841 3.960 -0.022 0.000 0.257 356 G HA3 -0.106 3.841 3.960 -0.022 0.000 0.257 356 G C 0.260 175.168 174.900 0.014 0.000 0.983 356 G CA 0.374 45.481 45.100 0.012 0.000 0.676 356 G HN 0.868 nan 8.290 nan 0.000 0.528 357 A N -0.721 122.107 122.820 0.014 0.000 2.374 357 A HA 0.942 5.249 4.320 -0.022 0.000 0.317 357 A C 0.798 178.391 177.584 0.016 0.000 1.094 357 A CA 0.493 52.540 52.037 0.017 0.000 0.765 357 A CB 1.544 20.556 19.000 0.019 0.000 1.268 357 A HN 1.743 nan 8.150 nan 0.000 0.438 358 A N 2.014 124.843 122.820 0.016 0.000 2.310 358 A HA 0.426 4.733 4.320 -0.022 0.000 0.230 358 A C 0.345 177.939 177.584 0.017 0.000 1.294 358 A CA 0.008 52.054 52.037 0.015 0.000 0.898 358 A CB -0.924 18.082 19.000 0.009 0.000 0.917 358 A HN 0.686 nan 8.150 nan 0.000 0.491 359 L N 0.496 121.729 121.223 0.017 0.000 2.367 359 L HA 0.350 4.677 4.340 -0.022 0.000 0.275 359 L C -0.377 176.497 176.870 0.006 0.000 1.129 359 L CA 0.158 55.007 54.840 0.015 0.000 0.839 359 L CB 0.790 42.859 42.059 0.017 0.000 1.133 359 L HN 0.267 nan 8.230 nan 0.000 0.453 360 L N 2.616 123.839 121.223 0.000 0.000 2.386 360 L HA 0.494 4.821 4.340 -0.022 0.000 0.271 360 L C 0.242 177.089 176.870 -0.037 0.000 0.993 360 L CA -0.719 54.112 54.840 -0.015 0.000 0.819 360 L CB 2.347 44.401 42.059 -0.009 0.000 1.294 360 L HN 0.595 nan 8.230 nan 0.000 0.414 361 T N -0.512 114.008 114.554 -0.057 0.000 2.913 361 T HA 0.503 4.839 4.350 -0.022 0.000 0.287 361 T C -2.504 172.090 174.700 -0.176 0.000 1.008 361 T CA -1.764 60.278 62.100 -0.098 0.000 1.067 361 T CB 1.041 69.862 68.868 -0.078 0.000 0.996 361 T HN 0.205 nan 8.240 nan 0.000 0.513 362 P HA 0.370 nan 4.420 nan 0.000 0.267 362 P C -0.001 177.098 177.300 -0.335 0.000 1.200 362 P CA -0.099 62.628 63.100 -0.622 0.000 0.772 362 P CB 0.259 31.202 31.700 -1.261 0.000 0.855 363 G N 1.785 110.473 108.800 -0.186 0.000 2.461 363 G HA2 0.677 4.624 3.960 -0.022 0.000 0.323 363 G HA3 0.677 4.624 3.960 -0.022 0.000 0.323 363 G C -1.147 173.821 174.900 0.114 0.000 1.229 363 G CA -0.572 44.512 45.100 -0.026 0.000 0.941 363 G HN 0.387 nan 8.290 nan 0.000 0.477 364 I N 2.336 122.962 120.570 0.094 0.000 2.439 364 I HA 0.326 4.483 4.170 -0.022 0.000 0.283 364 I C -0.693 175.469 176.117 0.074 0.000 1.023 364 I CA -0.419 60.962 61.300 0.136 0.000 1.100 364 I CB 1.919 40.008 38.000 0.148 0.000 1.238 364 I HN 0.089 nan 8.210 nan 0.000 0.445 365 L N 5.260 126.527 121.223 0.072 0.000 2.349 365 L HA 0.397 4.723 4.340 -0.022 0.000 0.278 365 L C -0.522 176.380 176.870 0.054 0.000 0.996 365 L CA -0.674 54.194 54.840 0.046 0.000 0.825 365 L CB 1.897 43.975 42.059 0.032 0.000 1.243 365 L HN 0.494 nan 8.230 nan 0.000 0.412 366 D N 2.812 123.238 120.400 0.042 0.000 2.338 366 D HA 0.127 4.754 4.640 -0.022 0.000 0.255 366 D C 0.583 176.909 176.300 0.044 0.000 1.237 366 D CA -0.142 53.886 54.000 0.046 0.000 0.883 366 D CB 1.527 42.347 40.800 0.034 0.000 1.087 366 D HN 0.288 nan 8.370 nan 0.000 0.485 367 V N 1.333 121.282 119.914 0.059 0.000 3.271 367 V HA 0.161 4.268 4.120 -0.022 0.000 0.327 367 V C 1.567 177.696 176.094 0.058 0.000 1.389 367 V CA -0.175 62.159 62.300 0.058 0.000 1.156 367 V CB -0.036 31.834 31.823 0.078 0.000 1.103 367 V HN 0.321 nan 8.190 nan 0.000 0.453 368 S N 1.973 117.707 115.700 0.056 0.000 2.383 368 S HA -0.088 4.368 4.470 -0.022 0.000 0.229 368 S C 1.983 176.611 174.600 0.046 0.000 1.030 368 S CA 1.990 60.225 58.200 0.058 0.000 1.002 368 S CB -0.202 63.032 63.200 0.056 0.000 0.829 368 S HN 0.977 nan 8.310 nan 0.000 0.467 369 A N 0.608 123.450 122.820 0.036 0.000 2.275 369 A HA 0.359 4.666 4.320 -0.022 0.000 0.212 369 A C 0.638 178.236 177.584 0.023 0.000 1.201 369 A CA -0.146 51.907 52.037 0.027 0.000 0.843 369 A CB 0.082 19.094 19.000 0.019 0.000 0.873 369 A HN 0.237 nan 8.150 nan 0.000 0.492 370 V N 0.926 120.857 119.914 0.028 0.000 2.470 370 V HA 0.278 4.385 4.120 -0.022 0.000 0.276 370 V C 1.635 177.748 176.094 0.032 0.000 1.040 370 V CA 0.206 62.520 62.300 0.024 0.000 1.008 370 V CB 0.312 32.153 31.823 0.029 0.000 0.990 370 V HN 0.513 nan 8.190 nan 0.000 0.477 371 A N 5.319 128.154 122.820 0.025 0.000 1.829 371 A HA -0.115 4.192 4.320 -0.022 0.000 0.216 371 A C 1.029 178.636 177.584 0.038 0.000 1.207 371 A CA 1.288 53.342 52.037 0.029 0.000 0.622 371 A CB -0.276 18.738 19.000 0.024 0.000 0.846 371 A HN 0.925 nan 8.150 nan 0.000 0.447 372 E N 0.445 120.671 120.200 0.043 0.000 2.035 372 E HA 0.477 4.814 4.350 -0.022 0.000 0.271 372 E C -0.856 175.788 176.600 0.073 0.000 0.953 372 E CA -0.567 55.865 56.400 0.054 0.000 0.777 372 E CB 0.762 30.495 29.700 0.055 0.000 1.104 372 E HN 0.336 nan 8.360 nan 0.000 0.408 373 R N 3.809 124.355 120.500 0.077 0.000 2.265 373 R HA 0.240 4.567 4.340 -0.022 0.000 0.314 373 R C -1.913 174.453 176.300 0.110 0.000 1.053 373 R CA -1.828 54.333 56.100 0.102 0.000 0.931 373 R CB 0.475 30.834 30.300 0.098 0.000 1.024 373 R HN 0.532 nan 8.270 nan 0.000 0.457 374 P HA -0.067 nan 4.420 nan 0.000 0.265 374 P C -0.635 176.709 177.300 0.074 0.000 1.193 374 P CA 0.025 63.197 63.100 0.121 0.000 0.765 374 P CB 0.644 32.453 31.700 0.182 0.000 0.823 375 D N 1.800 122.235 120.400 0.058 0.000 2.896 375 D HA 0.087 4.713 4.640 -0.022 0.000 0.240 375 D C -0.199 176.155 176.300 0.091 0.000 1.193 375 D CA -0.059 53.988 54.000 0.077 0.000 0.983 375 D CB -0.319 40.522 40.800 0.069 0.000 1.074 375 D HN 0.391 nan 8.370 nan 0.000 0.496 376 E N 0.765 120.926 120.200 -0.065 0.000 2.238 376 E HA 0.204 4.541 4.350 -0.022 0.000 0.267 376 E C -0.910 175.430 176.600 -0.433 0.000 0.887 376 E CA -0.825 55.444 56.400 -0.219 0.000 0.769 376 E CB 1.304 30.761 29.700 -0.405 0.000 1.187 376 E HN 0.192 nan 8.360 nan 0.000 0.416 377 E N 4.265 124.278 120.200 -0.312 0.000 2.152 377 E HA 0.138 4.475 4.350 -0.022 0.000 0.285 377 E C -1.322 175.158 176.600 -0.199 0.000 1.043 377 E CA -0.487 55.747 56.400 -0.276 0.000 0.839 377 E CB 0.398 29.963 29.700 -0.225 0.000 1.069 377 E HN 0.277 nan 8.360 nan 0.000 0.399 378 F N 5.229 125.277 119.950 0.164 0.000 2.313 378 F HA 0.251 4.764 4.527 -0.022 0.000 0.369 378 F C -0.124 175.814 175.800 0.230 0.000 1.109 378 F CA -0.851 57.275 58.000 0.210 0.000 1.132 378 F CB 0.337 39.423 39.000 0.143 0.000 1.291 378 F HN 0.493 nan 8.300 nan 0.000 0.496 379 F N 3.197 123.318 119.950 0.284 0.000 2.678 379 F HA 0.500 5.014 4.527 -0.021 0.000 0.358 379 F C 0.788 176.716 175.800 0.213 0.000 1.256 379 F CA 0.251 58.372 58.000 0.203 0.000 1.278 379 F CB -0.558 38.550 39.000 0.179 0.000 1.681 379 F HN 0.532 nan 8.300 nan 0.000 0.661 380 G N 2.736 111.568 108.800 0.053 0.000 2.428 380 G HA2 0.226 4.173 3.960 -0.022 0.000 0.304 380 G HA3 0.226 4.173 3.960 -0.022 0.000 0.304 380 G C -3.137 171.818 174.900 0.092 0.000 1.303 380 G CA -0.828 44.312 45.100 0.066 0.000 0.825 380 G HN -0.106 nan 8.290 nan 0.000 0.484 381 P HA 0.343 nan 4.420 nan 0.000 0.214 381 P C -0.762 176.681 177.300 0.238 0.000 1.826 381 P CA -0.114 63.126 63.100 0.234 0.000 0.977 381 P CB 0.249 31.996 31.700 0.078 0.000 1.930 382 L N 2.466 123.832 121.223 0.238 0.000 2.353 382 L HA 0.434 4.761 4.340 -0.022 0.000 0.270 382 L C -1.082 175.924 176.870 0.226 0.000 1.003 382 L CA -1.089 53.861 54.840 0.183 0.000 0.862 382 L CB 1.258 43.348 42.059 0.051 0.000 1.221 382 L HN -0.069 nan 8.230 nan 0.000 0.430 383 L N 4.254 125.643 121.223 0.275 0.000 2.265 383 L HA 0.491 4.818 4.340 -0.022 0.000 0.288 383 L C -0.262 176.695 176.870 0.144 0.000 1.058 383 L CA 0.303 55.251 54.840 0.180 0.000 0.809 383 L CB 1.152 43.290 42.059 0.132 0.000 1.179 383 L HN 0.657 nan 8.230 nan 0.000 0.429 384 Q N 3.574 123.454 119.800 0.133 0.000 2.243 384 Q HA 0.546 4.873 4.340 -0.022 0.000 0.252 384 Q C -1.108 174.955 176.000 0.104 0.000 0.909 384 Q CA -0.734 55.143 55.803 0.123 0.000 0.922 384 Q CB 2.342 31.171 28.738 0.151 0.000 1.215 384 Q HN 0.506 nan 8.270 nan 0.000 0.427 385 V N 3.967 123.938 119.914 0.094 0.000 2.459 385 V HA 0.464 4.570 4.120 -0.022 0.000 0.295 385 V C -0.505 175.648 176.094 0.099 0.000 1.029 385 V CA -0.624 61.732 62.300 0.093 0.000 0.874 385 V CB 1.481 33.350 31.823 0.077 0.000 0.985 385 V HN 0.595 nan 8.190 nan 0.000 0.438 386 I N 5.454 126.097 120.570 0.122 0.000 2.436 386 I HA 0.526 4.683 4.170 -0.022 0.000 0.289 386 I C -0.037 176.180 176.117 0.167 0.000 1.010 386 I CA -0.556 60.823 61.300 0.132 0.000 1.098 386 I CB 1.642 39.721 38.000 0.133 0.000 1.266 386 I HN 0.395 nan 8.210 nan 0.000 0.434 387 R N 5.474 126.048 120.500 0.123 0.000 2.357 387 R HA 0.432 4.759 4.340 -0.022 0.000 0.296 387 R C -1.020 175.370 176.300 0.149 0.000 1.052 387 R CA -0.583 55.571 56.100 0.090 0.000 0.988 387 R CB 0.833 31.151 30.300 0.030 0.000 1.025 387 R HN 0.629 nan 8.270 nan 0.000 0.469 388 Y N -1.965 118.383 120.300 0.080 0.000 2.524 388 Y HA 0.380 4.916 4.550 -0.023 0.000 0.344 388 Y C 1.024 176.972 175.900 0.079 0.000 1.012 388 Y CA -0.957 57.188 58.100 0.074 0.000 1.068 388 Y CB 1.388 39.894 38.460 0.076 0.000 1.249 388 Y HN 0.561 nan 8.280 nan 0.000 0.468 389 S N -0.017 115.835 115.700 0.254 0.000 2.371 389 S HA 0.088 4.545 4.470 -0.022 0.000 0.221 389 S C -0.172 174.564 174.600 0.228 0.000 1.036 389 S CA 1.059 59.352 58.200 0.155 0.000 0.965 389 S CB -0.554 62.718 63.200 0.121 0.000 0.845 389 S HN 0.863 nan 8.310 nan 0.000 0.475 390 D N -1.407 119.204 120.400 0.352 0.000 2.610 390 D HA 0.368 4.994 4.640 -0.022 0.000 0.271 390 D C 0.124 176.658 176.300 0.390 0.000 1.174 390 D CA -0.987 53.228 54.000 0.358 0.000 0.949 390 D CB -0.179 40.745 40.800 0.207 0.000 1.430 390 D HN -0.056 nan 8.370 nan 0.000 0.467 391 F N 0.806 120.855 119.950 0.165 0.000 2.216 391 F HA 0.041 4.555 4.527 -0.021 0.000 0.300 391 F C 2.192 177.966 175.800 -0.043 0.000 1.085 391 F CA 1.819 59.832 58.000 0.022 0.000 1.326 391 F CB -0.439 38.592 39.000 0.051 0.000 1.027 391 F HN 0.520 nan 8.300 nan 0.000 0.497 392 A N -0.013 122.814 122.820 0.013 0.000 1.930 392 A HA -0.001 4.306 4.320 -0.022 0.000 0.217 392 A C 2.398 179.907 177.584 -0.126 0.000 1.175 392 A CA 1.536 53.522 52.037 -0.085 0.000 0.627 392 A CB -1.388 17.616 19.000 0.008 0.000 0.815 392 A HN 0.415 nan 8.150 nan 0.000 0.443 393 A N -0.253 122.532 122.820 -0.059 0.000 1.968 393 A HA 0.262 4.569 4.320 -0.022 0.000 0.217 393 A C 2.437 179.929 177.584 -0.154 0.000 1.169 393 A CA 1.702 53.713 52.037 -0.044 0.000 0.638 393 A CB -0.817 18.226 19.000 0.072 0.000 0.812 393 A HN 0.933 nan 8.150 nan 0.000 0.446 394 A N 0.156 122.743 122.820 -0.389 0.000 1.877 394 A HA -0.085 4.221 4.320 -0.022 0.000 0.216 394 A C 2.103 179.455 177.584 -0.386 0.000 1.186 394 A CA 1.533 53.198 52.037 -0.620 0.000 0.620 394 A CB -0.586 17.672 19.000 -1.236 0.000 0.822 394 A HN 0.471 nan 8.150 nan 0.000 0.443 395 I N -1.060 119.238 120.570 -0.453 0.000 2.226 395 I HA -0.251 3.906 4.170 -0.022 0.000 0.245 395 I C 2.701 178.691 176.117 -0.211 0.000 1.100 395 I CA 1.661 62.758 61.300 -0.339 0.000 1.374 395 I CB -0.259 37.499 38.000 -0.404 0.000 1.057 395 I HN 0.395 nan 8.210 nan 0.000 0.413 396 R N 1.075 121.472 120.500 -0.172 0.000 2.083 396 R HA -0.271 4.056 4.340 -0.022 0.000 0.237 396 R C 2.257 178.512 176.300 -0.075 0.000 1.137 396 R CA 2.115 58.153 56.100 -0.104 0.000 0.951 396 R CB -0.192 30.066 30.300 -0.070 0.000 0.851 396 R HN 0.213 nan 8.270 nan 0.000 0.434 397 E N 0.351 120.510 120.200 -0.068 0.000 2.077 397 E HA -0.123 4.214 4.350 -0.022 0.000 0.193 397 E C 1.712 178.299 176.600 -0.021 0.000 0.989 397 E CA 1.757 58.142 56.400 -0.026 0.000 0.800 397 E CB -0.328 29.371 29.700 -0.001 0.000 0.746 397 E HN 0.448 nan 8.360 nan 0.000 0.452 398 A N 0.630 123.423 122.820 -0.044 0.000 1.940 398 A HA -0.178 4.129 4.320 -0.022 0.000 0.219 398 A C 1.871 179.436 177.584 -0.032 0.000 1.176 398 A CA 1.761 53.791 52.037 -0.012 0.000 0.631 398 A CB -0.613 18.391 19.000 0.008 0.000 0.814 398 A HN 0.285 nan 8.150 nan 0.000 0.446 399 N N 0.081 118.739 118.700 -0.070 0.000 2.467 399 N HA 0.118 4.845 4.740 -0.022 0.000 0.184 399 N C 0.602 176.091 175.510 -0.036 0.000 1.106 399 N CA 0.816 53.825 53.050 -0.069 0.000 0.892 399 N CB -0.211 38.214 38.487 -0.103 0.000 0.969 399 N HN 0.393 nan 8.380 nan 0.000 0.454 400 A N 0.683 123.492 122.820 -0.018 0.000 3.063 400 A HA 0.335 4.642 4.320 -0.022 0.000 0.263 400 A C 0.357 177.952 177.584 0.018 0.000 1.736 400 A CA 0.050 52.085 52.037 -0.003 0.000 1.408 400 A CB -0.429 18.574 19.000 0.004 0.000 1.108 400 A HN 0.042 nan 8.150 nan 0.000 0.621 401 T N -0.547 114.016 114.554 0.015 0.000 2.886 401 T HA 0.295 4.632 4.350 -0.022 0.000 0.330 401 T C 0.653 175.349 174.700 -0.007 0.000 1.488 401 T CA -0.014 62.113 62.100 0.045 0.000 1.054 401 T CB 1.136 70.075 68.868 0.118 0.000 1.348 401 T HN 0.607 nan 8.240 nan 0.000 0.489 402 Q N 1.442 121.194 119.800 -0.079 0.000 2.432 402 Q HA 0.127 4.454 4.340 -0.022 0.000 0.205 402 Q C -0.235 175.622 176.000 -0.239 0.000 0.945 402 Q CA 0.442 56.127 55.803 -0.197 0.000 0.924 402 Q CB -0.108 28.438 28.738 -0.321 0.000 1.016 402 Q HN 0.614 nan 8.270 nan 0.000 0.503 403 Y N 0.375 120.654 120.300 -0.035 0.000 2.344 403 Y HA 0.519 5.056 4.550 -0.022 0.000 0.330 403 Y C 1.173 177.047 175.900 -0.043 0.000 1.330 403 Y CA 0.082 58.160 58.100 -0.036 0.000 1.479 403 Y CB 1.426 39.874 38.460 -0.019 0.000 1.428 403 Y HN 0.065 nan 8.280 nan 0.000 0.544 404 G N 0.195 109.087 108.800 0.153 0.000 5.515 404 G HA2 0.145 4.092 3.960 -0.022 0.000 0.198 404 G HA3 0.145 4.092 3.960 -0.022 0.000 0.198 404 G C -0.161 174.738 174.900 -0.002 0.000 0.858 404 G CA -0.222 44.902 45.100 0.039 0.000 0.634 404 G HN 0.499 nan 8.290 nan 0.000 0.290 405 L N 0.838 122.067 121.223 0.010 0.000 2.056 405 L HA 0.796 5.123 4.340 -0.022 0.000 0.202 405 L C 1.202 178.021 176.870 -0.086 0.000 1.086 405 L CA 2.094 56.897 54.840 -0.062 0.000 0.758 405 L CB -0.166 41.878 42.059 -0.025 0.000 0.912 405 L HN 0.363 nan 8.230 nan 0.000 0.446 406 A N -1.531 121.278 122.820 -0.019 0.000 2.469 406 A HA 0.893 5.200 4.320 -0.022 0.000 0.299 406 A C -1.231 176.395 177.584 0.070 0.000 1.098 406 A CA -0.030 52.018 52.037 0.018 0.000 0.737 406 A CB 1.387 20.414 19.000 0.044 0.000 1.312 406 A HN 0.558 nan 8.150 nan 0.000 0.414 407 A N -0.430 122.469 122.820 0.132 0.000 2.612 407 A HA 0.923 5.230 4.320 -0.022 0.000 0.293 407 A C -0.321 177.478 177.584 0.359 0.000 1.075 407 A CA -0.026 52.152 52.037 0.235 0.000 0.680 407 A CB 1.413 20.537 19.000 0.207 0.000 1.279 407 A HN 2.396 nan 8.150 nan 0.000 0.411 408 G N -0.734 108.295 108.800 0.382 0.000 2.704 408 G HA2 0.688 4.635 3.960 -0.022 0.000 0.293 408 G HA3 0.688 4.635 3.960 -0.022 0.000 0.293 408 G C -2.164 172.715 174.900 -0.035 0.000 1.421 408 G CA -0.476 44.776 45.100 0.253 0.000 0.870 408 G HN 1.568 nan 8.290 nan 0.000 0.492 409 L N 0.732 121.875 121.223 -0.134 0.000 2.410 409 L HA 0.723 5.050 4.340 -0.022 0.000 0.270 409 L C -1.038 175.875 176.870 0.072 0.000 0.983 409 L CA -0.776 53.917 54.840 -0.244 0.000 0.822 409 L CB 1.750 43.487 42.059 -0.536 0.000 1.285 409 L HN 0.439 nan 8.230 nan 0.000 0.409 410 L N 4.546 125.814 121.223 0.075 0.000 2.265 410 L HA 0.764 5.091 4.340 -0.022 0.000 0.289 410 L C -0.104 176.839 176.870 0.121 0.000 1.033 410 L CA -0.344 54.548 54.840 0.086 0.000 0.814 410 L CB 1.318 43.425 42.059 0.081 0.000 1.203 410 L HN 0.739 nan 8.230 nan 0.000 0.423 411 S N 0.984 116.788 115.700 0.173 0.000 2.556 411 S HA 0.225 4.682 4.470 -0.022 0.000 0.280 411 S C -0.299 174.447 174.600 0.244 0.000 1.141 411 S CA -0.654 57.657 58.200 0.185 0.000 0.883 411 S CB 1.584 64.902 63.200 0.196 0.000 1.103 411 S HN 0.647 nan 8.310 nan 0.000 0.453 412 D N 1.873 122.331 120.400 0.097 0.000 2.363 412 D HA 0.096 4.723 4.640 -0.022 0.000 0.226 412 D C 0.410 176.841 176.300 0.219 0.000 1.020 412 D CA 0.594 54.651 54.000 0.096 0.000 0.892 412 D CB 0.363 41.160 40.800 -0.005 0.000 0.900 412 D HN 0.324 nan 8.370 nan 0.000 0.531 413 S N 0.418 116.255 115.700 0.228 0.000 2.420 413 S HA 0.230 4.686 4.470 -0.022 0.000 0.313 413 S C 1.032 175.684 174.600 0.087 0.000 1.079 413 S CA -0.721 57.551 58.200 0.121 0.000 1.104 413 S CB 1.549 64.724 63.200 -0.042 0.000 0.969 413 S HN -0.132 nan 8.310 nan 0.000 0.471 414 R N 4.197 124.743 120.500 0.076 0.000 2.096 414 R HA -0.008 4.319 4.340 -0.022 0.000 0.235 414 R C 1.751 177.910 176.300 -0.235 0.000 1.127 414 R CA 2.081 58.032 56.100 -0.248 0.000 0.968 414 R CB -0.392 29.904 30.300 -0.007 0.000 0.861 414 R HN 0.814 nan 8.270 nan 0.000 0.440 415 E N -0.593 119.536 120.200 -0.118 0.000 2.110 415 E HA -0.207 4.130 4.350 -0.022 0.000 0.193 415 E C 1.958 178.479 176.600 -0.132 0.000 0.988 415 E CA 0.990 57.327 56.400 -0.107 0.000 0.804 415 E CB -0.035 29.621 29.700 -0.073 0.000 0.745 415 E HN 0.076 nan 8.360 nan 0.000 0.458 416 R N 0.219 120.614 120.500 -0.175 0.000 2.081 416 R HA -0.129 4.198 4.340 -0.022 0.000 0.235 416 R C 1.932 178.181 176.300 -0.085 0.000 1.131 416 R CA 1.093 57.055 56.100 -0.231 0.000 0.960 416 R CB -0.673 29.379 30.300 -0.414 0.000 0.856 416 R HN 0.168 nan 8.270 nan 0.000 0.436 417 F N 1.488 121.185 119.950 -0.421 0.000 2.186 417 F HA -0.094 4.422 4.527 -0.019 0.000 0.299 417 F C 1.824 177.500 175.800 -0.207 0.000 1.090 417 F CA 1.415 59.128 58.000 -0.480 0.000 1.307 417 F CB -0.091 38.097 39.000 -1.353 0.000 1.019 417 F HN 0.015 nan 8.300 nan 0.000 0.489 418 E N 0.267 120.271 120.200 -0.326 0.000 2.085 418 E HA -0.305 4.031 4.350 -0.022 0.000 0.194 418 E C 2.169 178.639 176.600 -0.216 0.000 0.994 418 E CA 1.502 57.727 56.400 -0.292 0.000 0.801 418 E CB -0.680 28.926 29.700 -0.157 0.000 0.743 418 E HN 0.634 nan 8.360 nan 0.000 0.453 419 Q N -0.309 119.436 119.800 -0.091 0.000 2.079 419 Q HA -0.162 4.164 4.340 -0.022 0.000 0.200 419 Q C 2.147 178.153 176.000 0.009 0.000 0.974 419 Q CA 1.049 56.854 55.803 0.004 0.000 0.840 419 Q CB -0.248 28.574 28.738 0.139 0.000 0.898 419 Q HN 0.191 nan 8.270 nan 0.000 0.430 420 F N 0.942 120.829 119.950 -0.105 0.000 2.126 420 F HA -0.230 4.285 4.527 -0.020 0.000 0.299 420 F C 1.799 177.428 175.800 -0.284 0.000 1.096 420 F CA 1.383 59.300 58.000 -0.138 0.000 1.255 420 F CB -0.146 38.839 39.000 -0.026 0.000 0.997 420 F HN 0.087 nan 8.300 nan 0.000 0.479 421 L N -1.016 119.966 121.223 -0.402 0.000 2.046 421 L HA -0.245 4.082 4.340 -0.022 0.000 0.208 421 L C 2.350 179.051 176.870 -0.281 0.000 1.077 421 L CA 1.055 55.645 54.840 -0.417 0.000 0.747 421 L CB -0.732 41.035 42.059 -0.487 0.000 0.896 421 L HN -0.023 nan 8.230 nan 0.000 0.432 422 V N -0.348 119.430 119.914 -0.227 0.000 2.343 422 V HA -0.270 3.837 4.120 -0.022 0.000 0.247 422 V C 2.060 178.050 176.094 -0.172 0.000 1.051 422 V CA 1.869 64.073 62.300 -0.161 0.000 1.036 422 V CB -0.396 31.358 31.823 -0.115 0.000 0.654 422 V HN 0.484 nan 8.190 nan 0.000 0.451 423 E N -0.768 119.300 120.200 -0.220 0.000 2.452 423 E HA 0.108 4.445 4.350 -0.022 0.000 0.197 423 E C 0.922 177.332 176.600 -0.315 0.000 1.022 423 E CA -0.147 56.114 56.400 -0.232 0.000 0.890 423 E CB 0.320 29.894 29.700 -0.210 0.000 0.918 423 E HN 0.414 nan 8.360 nan 0.000 0.496 424 S N 1.027 116.464 115.700 -0.437 0.000 2.573 424 S HA 0.161 4.618 4.470 -0.022 0.000 0.277 424 S C 0.478 174.928 174.600 -0.250 0.000 1.346 424 S CA 0.095 58.020 58.200 -0.457 0.000 1.034 424 S CB 0.503 63.368 63.200 -0.558 0.000 0.879 424 S HN 0.123 nan 8.310 nan 0.000 0.528 425 R N 1.513 121.894 120.500 -0.198 0.000 2.653 425 R HA 0.544 4.871 4.340 -0.022 0.000 0.269 425 R C -0.855 175.395 176.300 -0.083 0.000 1.603 425 R CA -0.174 55.857 56.100 -0.115 0.000 1.671 425 R CB 0.555 30.798 30.300 -0.095 0.000 1.300 425 R HN 0.620 nan 8.270 nan 0.000 0.668 426 A N -1.269 121.503 122.820 -0.080 0.000 2.606 426 A HA 0.631 4.938 4.320 -0.022 0.000 0.293 426 A C 0.788 178.334 177.584 -0.063 0.000 1.082 426 A CA -0.241 51.760 52.037 -0.060 0.000 0.685 426 A CB 1.172 20.148 19.000 -0.040 0.000 1.284 426 A HN 0.311 nan 8.150 nan 0.000 0.408 427 G N -0.249 108.495 108.800 -0.093 0.000 2.511 427 G HA2 0.325 4.272 3.960 -0.022 0.000 0.217 427 G HA3 0.325 4.272 3.960 -0.022 0.000 0.217 427 G C 0.316 175.140 174.900 -0.127 0.000 1.133 427 G CA 0.808 45.831 45.100 -0.128 0.000 0.792 427 G HN 0.571 nan 8.290 nan 0.000 0.539 428 I N 0.650 121.162 120.570 -0.097 0.000 2.478 428 I HA 0.377 4.534 4.170 -0.022 0.000 0.287 428 I C -1.313 174.845 176.117 0.069 0.000 1.042 428 I CA -0.729 60.554 61.300 -0.028 0.000 1.067 428 I CB 2.940 40.906 38.000 -0.056 0.000 1.233 428 I HN -0.296 nan 8.210 nan 0.000 0.431 429 V N 5.809 125.810 119.914 0.145 0.000 2.462 429 V HA 0.416 4.522 4.120 -0.022 0.000 0.288 429 V C -0.625 175.713 176.094 0.408 0.000 1.020 429 V CA -0.709 61.761 62.300 0.284 0.000 0.857 429 V CB 1.512 33.477 31.823 0.236 0.000 1.013 429 V HN 0.630 nan 8.190 nan 0.000 0.431 430 N N 2.403 121.326 118.700 0.372 0.000 2.430 430 N HA 0.504 5.231 4.740 -0.022 0.000 0.298 430 N C -1.331 174.302 175.510 0.204 0.000 1.130 430 N CA -0.512 52.689 53.050 0.251 0.000 0.894 430 N CB 2.317 40.889 38.487 0.141 0.000 1.209 430 N HN 0.714 nan 8.380 nan 0.000 0.503 431 W N 2.100 123.171 121.300 -0.382 0.000 2.424 431 W HA 0.368 5.019 4.660 -0.015 0.000 0.318 431 W C -0.200 176.118 176.519 -0.336 0.000 1.016 431 W CA -0.821 56.127 57.345 -0.662 0.000 1.268 431 W CB -0.385 28.102 29.460 -1.622 0.000 1.297 431 W HN 0.518 nan 8.180 nan 0.000 0.428 432 N N 3.170 121.722 118.700 -0.246 0.000 2.741 432 N HA -0.224 4.503 4.740 -0.022 0.000 0.251 432 N C -0.735 174.659 175.510 -0.193 0.000 1.112 432 N CA 1.114 53.968 53.050 -0.328 0.000 0.750 432 N CB -0.854 37.219 38.487 -0.691 0.000 1.119 432 N HN 0.415 nan 8.380 nan 0.000 0.561 433 K N 0.911 121.253 120.400 -0.096 0.000 2.426 433 K HA 0.249 4.556 4.320 -0.022 0.000 0.251 433 K C 0.500 177.108 176.600 0.015 0.000 0.941 433 K CA -0.579 55.688 56.287 -0.034 0.000 0.808 433 K CB 1.735 34.218 32.500 -0.028 0.000 1.265 433 K HN 0.276 nan 8.250 nan 0.000 0.432 434 Q N 1.652 121.471 119.800 0.031 0.000 2.432 434 Q HA 0.086 4.413 4.340 -0.022 0.000 0.264 434 Q C 0.443 176.477 176.000 0.058 0.000 1.035 434 Q CA 0.079 55.904 55.803 0.037 0.000 0.908 434 Q CB 0.489 29.248 28.738 0.035 0.000 1.280 434 Q HN 0.554 nan 8.270 nan 0.000 0.455 435 L N 1.035 122.293 121.223 0.060 0.000 2.201 435 L HA -0.052 4.275 4.340 -0.022 0.000 0.212 435 L C 1.279 178.211 176.870 0.104 0.000 1.105 435 L CA 1.060 55.951 54.840 0.085 0.000 0.775 435 L CB -0.533 41.572 42.059 0.077 0.000 0.913 435 L HN 0.884 nan 8.230 nan 0.000 0.440 436 T N -2.707 111.903 114.554 0.093 0.000 2.788 436 T HA 0.436 4.773 4.350 -0.022 0.000 0.280 436 T C 0.991 175.755 174.700 0.107 0.000 0.984 436 T CA 0.023 62.191 62.100 0.114 0.000 0.972 436 T CB 1.377 70.305 68.868 0.102 0.000 1.039 436 T HN 0.332 nan 8.240 nan 0.000 0.530 437 G N -0.032 108.828 108.800 0.099 0.000 2.298 437 G HA2 0.144 4.091 3.960 -0.022 0.000 0.287 437 G HA3 0.144 4.091 3.960 -0.022 0.000 0.287 437 G C 0.215 175.146 174.900 0.051 0.000 1.075 437 G CA -0.181 44.950 45.100 0.051 0.000 0.960 437 G HN 1.398 nan 8.290 nan 0.000 0.502 438 A N -0.244 122.630 122.820 0.090 0.000 2.477 438 A HA 0.762 5.069 4.320 -0.022 0.000 0.246 438 A C 1.054 178.667 177.584 0.050 0.000 1.078 438 A CA 0.899 53.014 52.037 0.131 0.000 0.770 438 A CB 0.526 19.726 19.000 0.333 0.000 1.011 438 A HN 2.215 nan 8.150 nan 0.000 0.494 439 A N 2.243 125.093 122.820 0.050 0.000 2.354 439 A HA 0.497 4.803 4.320 -0.022 0.000 0.269 439 A C 1.252 178.860 177.584 0.040 0.000 1.109 439 A CA 0.100 52.149 52.037 0.020 0.000 0.800 439 A CB 0.216 19.224 19.000 0.013 0.000 1.045 439 A HN 0.982 nan 8.150 nan 0.000 0.489 440 S N 0.819 116.543 115.700 0.039 0.000 2.500 440 S HA -0.122 4.335 4.470 -0.022 0.000 0.239 440 S C 1.931 176.614 174.600 0.138 0.000 0.989 440 S CA 1.421 59.672 58.200 0.085 0.000 0.951 440 S CB -0.259 62.997 63.200 0.092 0.000 0.759 440 S HN 1.032 nan 8.310 nan 0.000 0.523 441 S N 0.716 116.455 115.700 0.064 0.000 2.607 441 S HA 0.430 4.887 4.470 -0.022 0.000 0.224 441 S C 0.517 174.990 174.600 -0.211 0.000 0.969 441 S CA 0.093 58.273 58.200 -0.034 0.000 0.927 441 S CB -0.108 63.041 63.200 -0.085 0.000 0.772 441 S HN 0.448 nan 8.310 nan 0.000 0.533 442 A N 1.660 124.453 122.820 -0.045 0.000 2.384 442 A HA 0.830 5.137 4.320 -0.022 0.000 0.312 442 A C -3.069 174.522 177.584 0.012 0.000 1.113 442 A CA -2.395 49.593 52.037 -0.082 0.000 0.779 442 A CB 0.801 19.770 19.000 -0.051 0.000 1.307 442 A HN 0.185 nan 8.150 nan 0.000 0.436 443 P HA 0.323 nan 4.420 nan 0.000 0.272 443 P C -1.050 176.257 177.300 0.011 0.000 1.223 443 P CA 0.303 63.283 63.100 -0.200 0.000 0.784 443 P CB 0.216 31.443 31.700 -0.788 0.000 0.923 444 F N 2.027 121.947 119.950 -0.050 0.000 2.610 444 F HA 0.643 5.156 4.527 -0.023 0.000 0.355 444 F C -0.520 175.292 175.800 0.019 0.000 1.140 444 F CA -0.011 57.982 58.000 -0.012 0.000 1.037 444 F CB 0.982 39.980 39.000 -0.002 0.000 1.287 444 F HN 0.401 nan 8.300 nan 0.000 0.457 445 G N 2.968 111.630 108.800 -0.230 0.000 2.753 445 G HA2 0.498 4.444 3.960 -0.022 0.000 0.297 445 G HA3 0.498 4.444 3.960 -0.022 0.000 0.297 445 G C -0.970 173.802 174.900 -0.213 0.000 1.430 445 G CA -0.535 44.491 45.100 -0.122 0.000 1.040 445 G HN 0.904 nan 8.290 nan 0.000 0.530 446 G N 0.042 108.740 108.800 -0.169 0.000 2.476 446 G HA2 0.641 4.588 3.960 -0.022 0.000 0.286 446 G HA3 0.641 4.588 3.960 -0.022 0.000 0.286 446 G C 0.392 175.218 174.900 -0.123 0.000 1.177 446 G CA -0.465 44.555 45.100 -0.134 0.000 0.870 446 G HN 1.104 nan 8.290 nan 0.000 0.528 447 I N -1.284 119.224 120.570 -0.103 0.000 3.619 447 I HA 0.893 5.050 4.170 -0.022 0.000 0.284 447 I C 1.210 177.264 176.117 -0.106 0.000 1.240 447 I CA -0.311 60.904 61.300 -0.141 0.000 1.016 447 I CB 0.910 38.883 38.000 -0.045 0.000 1.374 447 I HN 1.087 nan 8.210 nan 0.000 0.553 448 G N 0.743 109.481 108.800 -0.103 0.000 2.614 448 G HA2 -0.336 3.610 3.960 -0.022 0.000 0.303 448 G HA3 -0.336 3.610 3.960 -0.022 0.000 0.303 448 G C 0.825 175.642 174.900 -0.139 0.000 1.270 448 G CA 1.074 46.115 45.100 -0.098 0.000 0.988 448 G HN 1.570 nan 8.290 nan 0.000 0.551 449 A N -0.815 121.899 122.820 -0.176 0.000 2.248 449 A HA 0.368 4.675 4.320 -0.022 0.000 0.210 449 A C 2.417 179.986 177.584 -0.025 0.000 1.174 449 A CA 2.284 54.193 52.037 -0.214 0.000 0.750 449 A CB -0.350 18.330 19.000 -0.532 0.000 0.780 449 A HN 1.219 nan 8.150 nan 0.000 0.478 450 S N -0.989 114.747 115.700 0.059 0.000 2.558 450 S HA 0.390 4.846 4.470 -0.022 0.000 0.217 450 S C 0.856 175.472 174.600 0.026 0.000 0.975 450 S CA 0.503 58.779 58.200 0.127 0.000 0.912 450 S CB 0.201 63.470 63.200 0.116 0.000 0.776 450 S HN 0.896 nan 8.310 nan 0.000 0.526 451 G N 1.637 110.396 108.800 -0.068 0.000 2.606 451 G HA2 0.405 4.352 3.960 -0.022 0.000 0.300 451 G HA3 0.405 4.352 3.960 -0.022 0.000 0.300 451 G C -1.463 173.326 174.900 -0.183 0.000 1.360 451 G CA -0.763 44.279 45.100 -0.097 0.000 0.783 451 G HN 0.160 nan 8.290 nan 0.000 0.484 452 N N -0.859 117.753 118.700 -0.147 0.000 2.599 452 N HA 0.121 4.847 4.740 -0.022 0.000 0.309 452 N C 0.115 175.617 175.510 -0.014 0.000 1.743 452 N CA -0.562 52.414 53.050 -0.123 0.000 0.918 452 N CB -0.421 38.038 38.487 -0.046 0.000 1.339 452 N HN 0.668 nan 8.380 nan 0.000 0.493 453 H N 0.338 119.426 119.070 0.030 0.000 2.776 453 H HA -0.144 4.399 4.556 -0.022 0.000 0.300 453 H C -0.615 174.771 175.328 0.097 0.000 1.161 453 H CA 0.717 56.800 56.048 0.060 0.000 1.147 453 H CB -1.102 28.688 29.762 0.047 0.000 1.366 453 H HN 0.599 nan 8.280 nan 0.000 0.397 454 R N 0.842 121.431 120.500 0.148 0.000 2.651 454 R HA 0.201 4.528 4.340 -0.022 0.000 0.282 454 R C -2.542 173.922 176.300 0.272 0.000 1.565 454 R CA -1.481 54.741 56.100 0.203 0.000 1.661 454 R CB 1.396 31.732 30.300 0.060 0.000 1.189 454 R HN 0.078 nan 8.270 nan 0.000 0.621 455 P HA -0.016 nan 4.420 nan 0.000 0.269 455 P C 0.062 177.600 177.300 0.397 0.000 1.209 455 P CA 0.295 63.563 63.100 0.280 0.000 0.776 455 P CB 1.384 33.223 31.700 0.232 0.000 0.876 456 S N 1.832 117.755 115.700 0.370 0.000 2.505 456 S HA 0.679 5.136 4.470 -0.022 0.000 0.273 456 S C 0.615 175.334 174.600 0.199 0.000 1.123 456 S CA 0.422 58.824 58.200 0.337 0.000 1.006 456 S CB 0.084 63.456 63.200 0.288 0.000 1.243 456 S HN 0.730 nan 8.310 nan 0.000 0.498 457 A N 0.299 123.167 122.820 0.081 0.000 5.382 457 A HA -0.310 3.997 4.320 -0.022 0.000 0.307 457 A C 1.168 178.825 177.584 0.120 0.000 1.937 457 A CA 1.800 53.879 52.037 0.071 0.000 0.715 457 A CB -2.200 16.878 19.000 0.129 0.000 1.293 457 A HN 1.373 nan 8.150 nan 0.000 0.374 458 Y N -1.052 119.276 120.300 0.045 0.000 2.256 458 Y HA -0.170 4.368 4.550 -0.021 0.000 0.288 458 Y C 2.097 178.132 175.900 0.224 0.000 1.155 458 Y CA 2.925 61.081 58.100 0.092 0.000 1.203 458 Y CB -0.247 38.252 38.460 0.066 0.000 0.980 458 Y HN 0.524 nan 8.280 nan 0.000 0.530 459 Y N -0.885 119.446 120.300 0.051 0.000 2.490 459 Y HA 0.261 4.798 4.550 -0.021 0.000 0.281 459 Y C 2.177 177.951 175.900 -0.210 0.000 1.174 459 Y CA -0.261 57.811 58.100 -0.046 0.000 1.295 459 Y CB -1.166 37.334 38.460 0.067 0.000 1.062 459 Y HN 0.195 nan 8.280 nan 0.000 0.522 460 A N 0.385 123.106 122.820 -0.165 0.000 1.978 460 A HA -0.176 4.131 4.320 -0.022 0.000 0.220 460 A C 2.558 179.665 177.584 -0.795 0.000 1.170 460 A CA 1.674 53.269 52.037 -0.737 0.000 0.636 460 A CB -0.827 17.923 19.000 -0.416 0.000 0.810 460 A HN 0.359 nan 8.150 nan 0.000 0.448 461 A N 0.297 122.887 122.820 -0.382 0.000 1.948 461 A HA -0.259 4.048 4.320 -0.022 0.000 0.220 461 A C 1.702 179.122 177.584 -0.274 0.000 1.177 461 A CA 2.053 53.925 52.037 -0.275 0.000 0.636 461 A CB -0.646 18.200 19.000 -0.256 0.000 0.815 461 A HN 0.493 nan 8.150 nan 0.000 0.449 462 D N -1.210 119.026 120.400 -0.273 0.000 2.178 462 D HA -0.153 4.474 4.640 -0.022 0.000 0.201 462 D C 1.492 177.813 176.300 0.034 0.000 0.980 462 D CA 1.850 55.768 54.000 -0.137 0.000 0.842 462 D CB -0.399 40.338 40.800 -0.105 0.000 0.948 462 D HN 0.866 nan 8.370 nan 0.000 0.472 463 Y N -1.750 118.579 120.300 0.049 0.000 2.457 463 Y HA 0.328 4.864 4.550 -0.022 0.000 0.263 463 Y C 1.597 177.670 175.900 0.288 0.000 1.164 463 Y CA -0.695 57.475 58.100 0.118 0.000 1.274 463 Y CB -0.763 37.656 38.460 -0.068 0.000 1.097 463 Y HN -0.119 nan 8.280 nan 0.000 0.523 464 C N 1.106 120.512 119.300 0.176 0.000 2.673 464 C HA 0.771 5.218 4.460 -0.022 0.000 0.264 464 C C 1.284 176.379 174.990 0.174 0.000 1.304 464 C CA 0.306 59.525 59.018 0.335 0.000 1.727 464 C CB -1.206 26.633 27.740 0.166 0.000 1.932 464 C HN 0.657 nan 8.230 nan 0.000 0.563 465 A N -0.261 122.590 122.820 0.052 0.000 2.572 465 A HA 0.717 5.024 4.320 -0.022 0.000 0.295 465 A C -1.335 176.263 177.584 0.023 0.000 1.072 465 A CA -0.513 51.464 52.037 -0.100 0.000 0.691 465 A CB 0.771 19.758 19.000 -0.022 0.000 1.291 465 A HN 0.432 nan 8.150 nan 0.000 0.404 466 Y N 0.258 120.521 120.300 -0.061 0.000 2.446 466 Y HA 0.829 5.366 4.550 -0.022 0.000 0.338 466 Y C -2.787 173.138 175.900 0.042 0.000 1.055 466 Y CA -3.306 54.837 58.100 0.070 0.000 1.101 466 Y CB 1.296 39.813 38.460 0.095 0.000 1.221 466 Y HN 0.428 nan 8.280 nan 0.000 0.460 467 P HA 0.175 nan 4.420 nan 0.000 0.279 467 P C -1.003 176.203 177.300 -0.156 0.000 1.239 467 P CA -0.280 62.627 63.100 -0.323 0.000 0.789 467 P CB 2.125 33.714 31.700 -0.186 0.000 0.933 468 V N 2.378 122.121 119.914 -0.285 0.000 2.407 468 V HA 0.520 4.627 4.120 -0.022 0.000 0.291 468 V C 0.316 176.333 176.094 -0.130 0.000 1.018 468 V CA -0.838 61.393 62.300 -0.114 0.000 0.842 468 V CB 1.290 33.046 31.823 -0.112 0.000 0.996 468 V HN 0.708 nan 8.190 nan 0.000 0.426 469 A N 3.803 126.582 122.820 -0.068 0.000 2.274 469 A HA 0.832 5.139 4.320 -0.022 0.000 0.309 469 A C 0.112 177.675 177.584 -0.036 0.000 1.226 469 A CA -0.277 51.724 52.037 -0.061 0.000 0.853 469 A CB 0.793 19.769 19.000 -0.041 0.000 1.146 469 A HN 0.713 nan 8.150 nan 0.000 0.518 470 S N 1.148 116.825 115.700 -0.038 0.000 2.521 470 S HA 0.585 5.042 4.470 -0.022 0.000 0.295 470 S C -1.085 173.503 174.600 -0.020 0.000 1.098 470 S CA -0.419 57.766 58.200 -0.024 0.000 0.999 470 S CB 1.347 64.531 63.200 -0.027 0.000 1.034 470 S HN 0.670 nan 8.310 nan 0.000 0.483 471 L N 3.318 124.533 121.223 -0.013 0.000 2.296 471 L HA 0.570 4.897 4.340 -0.022 0.000 0.286 471 L C -0.658 176.207 176.870 -0.009 0.000 1.023 471 L CA 0.114 54.947 54.840 -0.011 0.000 0.812 471 L CB 0.970 43.025 42.059 -0.008 0.000 1.223 471 L HN 0.676 nan 8.230 nan 0.000 0.421 472 E N 2.793 122.987 120.200 -0.009 0.000 2.293 472 E HA 0.656 4.993 4.350 -0.022 0.000 0.270 472 E C -1.438 175.158 176.600 -0.007 0.000 0.879 472 E CA -0.750 55.645 56.400 -0.008 0.000 0.756 472 E CB 2.238 31.932 29.700 -0.010 0.000 1.208 472 E HN 0.449 nan 8.360 nan 0.000 0.428 473 S N 1.525 117.221 115.700 -0.005 0.000 2.541 473 S HA 0.427 4.883 4.470 -0.022 0.000 0.271 473 S C -2.219 172.378 174.600 -0.004 0.000 1.133 473 S CA -1.174 57.023 58.200 -0.004 0.000 0.876 473 S CB 1.133 64.331 63.200 -0.004 0.000 1.105 473 S HN 0.346 nan 8.310 nan 0.000 0.470 474 P HA 0.223 nan 4.420 nan 0.000 0.236 474 P C -0.162 177.136 177.300 -0.003 0.000 1.177 474 P CA 0.327 63.425 63.100 -0.004 0.000 0.773 474 P CB 0.206 31.904 31.700 -0.003 0.000 0.878 475 S N -0.617 115.081 115.700 -0.003 0.000 2.541 475 S HA 0.458 4.915 4.470 -0.022 0.000 0.271 475 S C -0.562 174.037 174.600 -0.002 0.000 1.133 475 S CA -0.854 57.345 58.200 -0.002 0.000 0.876 475 S CB 1.166 64.365 63.200 -0.002 0.000 1.105 475 S HN -0.095 nan 8.310 nan 0.000 0.470 476 V N 2.617 122.530 119.914 -0.002 0.000 2.999 476 V HA 0.784 4.891 4.120 -0.022 0.000 0.307 476 V C 0.133 176.226 176.094 -0.001 0.000 1.084 476 V CA 0.184 62.483 62.300 -0.001 0.000 1.155 476 V CB 0.406 32.228 31.823 -0.001 0.000 0.975 476 V HN 1.177 nan 8.190 nan 0.000 0.490 477 S N 2.888 118.587 115.700 -0.001 0.000 2.588 477 S HA 0.668 5.125 4.470 -0.022 0.000 0.269 477 S C -1.051 173.548 174.600 -0.001 0.000 1.157 477 S CA -1.096 57.103 58.200 -0.001 0.000 0.824 477 S CB 1.198 64.397 63.200 -0.001 0.000 1.126 477 S HN 0.821 nan 8.310 nan 0.000 0.464 478 L N 2.406 123.629 121.223 -0.001 0.000 2.326 478 L HA 0.518 4.845 4.340 -0.022 0.000 0.278 478 L C -1.616 175.254 176.870 -0.001 0.000 1.092 478 L CA -1.659 53.180 54.840 -0.001 0.000 0.810 478 L CB 0.551 42.609 42.059 -0.001 0.000 1.153 478 L HN 0.636 nan 8.230 nan 0.000 0.439 479 P HA 0.138 nan 4.420 nan 0.000 0.274 479 P C 0.152 177.451 177.300 -0.001 0.000 1.246 479 P CA -0.473 62.627 63.100 -0.001 0.000 0.795 479 P CB 1.180 32.879 31.700 -0.001 0.000 1.006 480 A N 1.817 124.636 122.820 -0.001 0.000 1.933 480 A HA -0.028 4.279 4.320 -0.022 0.000 0.218 480 A C 0.955 178.539 177.584 -0.001 0.000 1.175 480 A CA 1.389 53.426 52.037 -0.001 0.000 0.628 480 A CB -1.026 17.974 19.000 -0.001 0.000 0.814 480 A HN 0.667 nan 8.150 nan 0.000 0.444 481 T N 0.800 115.353 114.554 -0.001 0.000 2.809 481 T HA 0.573 4.910 4.350 -0.022 0.000 0.284 481 T C -0.255 174.445 174.700 -0.001 0.000 0.992 481 T CA -0.524 61.576 62.100 -0.001 0.000 0.957 481 T CB 1.342 70.210 68.868 -0.001 0.000 0.942 481 T HN 0.226 nan 8.240 nan 0.000 0.439 482 L N 2.889 124.111 121.223 -0.001 0.000 2.464 482 L HA 0.338 4.665 4.340 -0.022 0.000 0.264 482 L C 1.512 178.382 176.870 -0.001 0.000 1.199 482 L CA -0.946 53.893 54.840 -0.001 0.000 0.818 482 L CB 0.026 42.084 42.059 -0.001 0.000 1.102 482 L HN 0.740 nan 8.230 nan 0.000 0.473 483 T N -0.274 114.279 114.554 -0.001 0.000 2.937 483 T HA 0.161 4.498 4.350 -0.022 0.000 0.316 483 T C -2.161 172.538 174.700 -0.001 0.000 1.079 483 T CA -1.204 60.895 62.100 -0.001 0.000 1.131 483 T CB 0.066 68.934 68.868 -0.001 0.000 1.000 483 T HN 0.338 nan 8.240 nan 0.000 0.549 484 P HA 0.330 nan 4.420 nan 0.000 0.269 484 P C 1.199 178.498 177.300 -0.001 0.000 1.217 484 P CA 0.889 63.988 63.100 -0.001 0.000 0.783 484 P CB -0.112 31.587 31.700 -0.001 0.000 0.898 485 G N -0.217 108.582 108.800 -0.001 0.000 2.179 485 G HA2 -0.202 3.744 3.960 -0.022 0.000 0.260 485 G HA3 -0.202 3.744 3.960 -0.022 0.000 0.260 485 G C 0.179 175.078 174.900 -0.001 0.000 0.977 485 G CA -0.098 45.001 45.100 -0.001 0.000 0.641 485 G HN 0.431 nan 8.290 nan 0.000 0.533 486 I N 0.000 120.569 120.570 -0.001 0.000 2.984 486 I HA 0.000 4.157 4.170 -0.022 0.000 0.288 486 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 486 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 486 I HN 0.000 nan 8.210 nan 0.000 0.494