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 2uwt_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.611 177.584 0.045 0.000 1.274 1 A CA 0.000 52.056 52.037 0.031 0.000 0.836 1 A CB 0.000 19.022 19.000 0.037 0.000 0.831 2 E N 0.958 121.181 120.200 0.038 0.000 2.366 2 E HA 0.281 4.631 4.350 0.000 0.000 0.266 2 E C -0.617 176.037 176.600 0.089 0.000 1.051 2 E CA -0.381 56.052 56.400 0.054 0.000 0.884 2 E CB 1.011 30.723 29.700 0.020 0.000 1.006 2 E HN 0.644 nan 8.360 nan 0.000 0.417 3 Y N 2.304 122.598 120.300 -0.009 0.000 2.442 3 Y HA -0.047 4.503 4.550 0.000 0.000 0.330 3 Y C 0.581 176.470 175.900 -0.018 0.000 1.129 3 Y CA 0.256 58.354 58.100 -0.004 0.000 1.365 3 Y CB 0.630 39.090 38.460 -0.000 0.000 1.233 3 Y HN 0.437 nan 8.280 nan 0.000 0.529 4 Q N 3.911 123.359 119.800 -0.588 0.000 2.282 4 Q HA 0.015 4.355 4.340 0.000 0.000 0.206 4 Q C 0.379 175.964 176.000 -0.691 0.000 0.878 4 Q CA 0.362 55.859 55.803 -0.510 0.000 0.944 4 Q CB -0.049 28.537 28.738 -0.254 0.000 1.100 4 Q HN 0.920 nan 8.270 nan 0.000 0.509 5 N N 0.191 118.120 118.700 -1.285 0.000 2.741 5 N HA -0.166 4.574 4.740 0.000 0.000 0.251 5 N C 0.452 175.745 175.510 -0.361 0.000 1.112 5 N CA 0.407 53.024 53.050 -0.723 0.000 0.750 5 N CB -0.840 37.392 38.487 -0.426 0.000 1.119 5 N HN 0.181 nan 8.380 nan 0.000 0.561 6 I N -1.433 118.926 120.570 -0.351 0.000 2.333 6 I HA 0.009 4.179 4.170 0.000 0.000 0.246 6 I C 0.721 176.555 176.117 -0.472 0.000 1.106 6 I CA 1.255 62.307 61.300 -0.413 0.000 1.411 6 I CB -0.672 37.058 38.000 -0.450 0.000 1.082 6 I HN 0.023 nan 8.210 nan 0.000 0.420 7 F N 0.159 120.202 119.950 0.156 0.000 2.563 7 F HA 0.400 4.927 4.527 0.000 0.000 0.316 7 F C 0.784 176.801 175.800 0.361 0.000 1.076 7 F CA -0.977 57.193 58.000 0.282 0.000 0.921 7 F CB 1.196 40.349 39.000 0.253 0.000 1.209 7 F HN -0.327 nan 8.300 nan 0.000 0.462 8 S N 1.424 117.476 115.700 0.586 0.000 2.564 8 S HA 0.084 4.554 4.470 0.000 0.000 0.278 8 S C 0.884 175.768 174.600 0.474 0.000 1.333 8 S CA -0.506 57.969 58.200 0.459 0.000 1.048 8 S CB 1.063 64.448 63.200 0.308 0.000 0.900 8 S HN 0.697 nan 8.310 nan 0.000 0.505 9 Q N 0.688 120.618 119.800 0.216 0.000 2.212 9 Q HA 0.095 4.436 4.340 0.000 0.000 0.199 9 Q C -0.280 175.856 176.000 0.228 0.000 0.950 9 Q CA 0.687 56.574 55.803 0.141 0.000 0.863 9 Q CB 0.195 28.842 28.738 -0.151 0.000 0.944 9 Q HN 0.442 nan 8.270 nan 0.000 0.465 10 V N 1.415 121.410 119.914 0.133 0.000 2.623 10 V HA 0.215 4.336 4.120 0.000 0.000 0.304 10 V C -0.756 175.337 176.094 -0.003 0.000 1.054 10 V CA -0.859 61.481 62.300 0.068 0.000 0.882 10 V CB 1.832 33.662 31.823 0.013 0.000 1.002 10 V HN 0.118 nan 8.190 nan 0.000 0.424 11 Q N 2.515 122.254 119.800 -0.103 0.000 2.214 11 Q HA 0.808 5.148 4.340 0.000 0.000 0.251 11 Q C -0.695 175.242 176.000 -0.105 0.000 0.936 11 Q CA -0.732 54.979 55.803 -0.154 0.000 0.894 11 Q CB 2.642 31.185 28.738 -0.325 0.000 1.252 11 Q HN 0.747 nan 8.270 nan 0.000 0.448 12 V N -1.371 118.494 119.914 -0.082 0.000 2.962 12 V HA 0.781 4.901 4.120 0.000 0.000 0.313 12 V C -0.864 175.186 176.094 -0.074 0.000 1.099 12 V CA -1.081 61.177 62.300 -0.070 0.000 0.971 12 V CB 2.203 33.999 31.823 -0.046 0.000 1.028 12 V HN 0.815 nan 8.190 nan 0.000 0.430 13 R N 0.606 121.049 120.500 -0.094 0.000 2.771 13 R HA 0.826 5.167 4.340 0.000 0.000 0.274 13 R C -0.289 175.944 176.300 -0.112 0.000 0.987 13 R CA 0.130 56.159 56.100 -0.119 0.000 0.908 13 R CB 2.389 32.547 30.300 -0.237 0.000 1.213 13 R HN 1.293 nan 8.270 nan 0.000 0.468 14 G N 1.722 110.467 108.800 -0.092 0.000 2.975 14 G HA2 0.522 4.482 3.960 0.000 0.000 0.291 14 G HA3 0.522 4.482 3.960 0.000 0.000 0.291 14 G C -2.669 172.195 174.900 -0.060 0.000 1.334 14 G CA -0.983 44.075 45.100 -0.072 0.000 0.843 14 G HN 0.441 nan 8.290 nan 0.000 0.548 15 P HA 0.379 nan 4.420 nan 0.000 0.265 15 P C 0.262 177.615 177.300 0.088 0.000 1.187 15 P CA 0.086 63.191 63.100 0.007 0.000 0.766 15 P CB 0.462 32.168 31.700 0.010 0.000 0.820 16 A N 2.491 125.412 122.820 0.168 0.000 2.584 16 A HA -0.006 4.314 4.320 0.000 0.000 0.239 16 A C 0.501 178.164 177.584 0.132 0.000 1.043 16 A CA 0.281 52.488 52.037 0.282 0.000 0.756 16 A CB -0.325 18.831 19.000 0.259 0.000 0.963 16 A HN 0.544 nan 8.150 nan 0.000 0.511 17 D N 2.273 122.738 120.400 0.108 0.000 2.280 17 D HA 0.337 4.977 4.640 0.000 0.000 0.243 17 D C 0.662 176.974 176.300 0.019 0.000 1.129 17 D CA -0.135 53.894 54.000 0.048 0.000 0.848 17 D CB 0.829 41.651 40.800 0.037 0.000 1.107 17 D HN 0.456 nan 8.370 nan 0.000 0.471 18 L N 2.818 124.049 121.223 0.014 0.000 2.585 18 L HA 0.285 4.625 4.340 0.000 0.000 0.226 18 L C 1.375 178.243 176.870 -0.003 0.000 1.113 18 L CA 0.161 55.005 54.840 0.006 0.000 0.876 18 L CB -0.358 41.707 42.059 0.011 0.000 1.072 18 L HN 0.635 nan 8.230 nan 0.000 0.468 19 G N 0.475 109.271 108.800 -0.007 0.000 2.710 19 G HA2 -0.172 3.788 3.960 0.000 0.000 0.668 19 G HA3 -0.172 3.788 3.960 0.000 0.000 0.668 19 G C -0.462 174.424 174.900 -0.022 0.000 1.320 19 G CA -0.882 44.206 45.100 -0.019 0.000 0.860 19 G HN -0.143 nan 8.290 nan 0.000 0.538 20 M N 0.181 119.761 119.600 -0.034 0.000 2.255 20 M HA 0.393 4.873 4.480 0.000 0.000 0.336 20 M C 1.612 177.887 176.300 -0.041 0.000 1.135 20 M CA 0.264 55.541 55.300 -0.038 0.000 1.145 20 M CB 0.518 33.088 32.600 -0.051 0.000 1.473 20 M HN 0.690 nan 8.290 nan 0.000 0.462 21 T N -0.205 114.327 114.554 -0.037 0.000 3.044 21 T HA 0.041 4.391 4.350 0.000 0.000 0.237 21 T C 0.661 175.333 174.700 -0.047 0.000 1.001 21 T CA 0.107 62.187 62.100 -0.033 0.000 1.160 21 T CB 0.269 69.124 68.868 -0.021 0.000 0.889 21 T HN 0.599 nan 8.240 nan 0.000 0.442 22 E N 1.214 121.385 120.200 -0.048 0.000 3.425 22 E HA -0.219 4.131 4.350 0.000 0.000 0.407 22 E C 0.049 176.617 176.600 -0.052 0.000 1.572 22 E CA 1.725 58.092 56.400 -0.056 0.000 1.556 22 E CB -1.232 28.422 29.700 -0.075 0.000 1.586 22 E HN 0.377 nan 8.360 nan 0.000 0.451 23 D N 0.891 121.251 120.400 -0.067 0.000 2.388 23 D HA 0.199 4.839 4.640 0.000 0.000 0.221 23 D C -0.243 176.020 176.300 -0.062 0.000 1.133 23 D CA 0.048 54.013 54.000 -0.058 0.000 0.831 23 D CB 0.289 41.050 40.800 -0.064 0.000 0.962 23 D HN -0.055 nan 8.370 nan 0.000 0.502 24 V N 1.966 121.838 119.914 -0.070 0.000 2.572 24 V HA -0.038 4.082 4.120 0.000 0.000 0.291 24 V C 0.960 177.067 176.094 0.021 0.000 1.039 24 V CA -0.580 61.679 62.300 -0.068 0.000 1.055 24 V CB 0.781 32.553 31.823 -0.086 0.000 0.969 24 V HN 0.104 nan 8.190 nan 0.000 0.482 25 N N 4.479 123.233 118.700 0.089 0.000 2.406 25 N HA 0.059 4.799 4.740 0.000 0.000 0.274 25 N C 0.775 176.383 175.510 0.164 0.000 1.249 25 N CA 0.301 53.428 53.050 0.127 0.000 0.951 25 N CB 0.428 39.007 38.487 0.153 0.000 1.241 25 N HN 0.676 nan 8.380 nan 0.000 0.485 26 L N 2.476 123.748 121.223 0.081 0.000 2.362 26 L HA -0.087 4.253 4.340 0.000 0.000 0.219 26 L C 2.058 178.943 176.870 0.025 0.000 1.134 26 L CA 0.713 55.590 54.840 0.062 0.000 0.807 26 L CB -0.284 41.792 42.059 0.030 0.000 0.927 26 L HN 0.562 nan 8.230 nan 0.000 0.447 27 A N 0.018 122.842 122.820 0.007 0.000 2.015 27 A HA -0.140 4.180 4.320 0.000 0.000 0.219 27 A C 1.718 179.251 177.584 -0.085 0.000 1.163 27 A CA 1.276 53.296 52.037 -0.030 0.000 0.646 27 A CB -0.312 18.672 19.000 -0.026 0.000 0.806 27 A HN 0.402 nan 8.150 nan 0.000 0.448 28 N N -0.073 118.543 118.700 -0.141 0.000 2.383 28 N HA 0.059 4.800 4.740 0.000 0.000 0.192 28 N C 0.022 175.279 175.510 -0.422 0.000 1.141 28 N CA 0.205 53.016 53.050 -0.398 0.000 0.851 28 N CB 0.097 38.102 38.487 -0.803 0.000 0.976 28 N HN 0.437 nan 8.380 nan 0.000 0.465 29 R N 0.745 121.163 120.500 -0.136 0.000 2.312 29 R HA 0.212 4.552 4.340 0.000 0.000 0.311 29 R C 0.800 177.069 176.300 -0.052 0.000 1.004 29 R CA -0.269 55.805 56.100 -0.043 0.000 0.902 29 R CB 1.222 31.552 30.300 0.051 0.000 1.073 29 R HN 0.113 nan 8.270 nan 0.000 0.457 30 S N 1.542 117.215 115.700 -0.045 0.000 2.658 30 S HA 0.151 4.622 4.470 0.000 0.000 0.249 30 S C 0.691 175.280 174.600 -0.019 0.000 1.363 30 S CA -0.273 57.907 58.200 -0.033 0.000 0.964 30 S CB 0.595 63.779 63.200 -0.026 0.000 0.973 30 S HN 0.642 nan 8.310 nan 0.000 0.588 31 G N -0.863 107.927 108.800 -0.016 0.000 2.522 31 G HA2 0.529 4.489 3.960 0.000 0.000 0.304 31 G HA3 0.529 4.489 3.960 0.000 0.000 0.304 31 G C 0.081 174.970 174.900 -0.018 0.000 1.210 31 G CA -0.499 44.596 45.100 -0.008 0.000 0.960 31 G HN 1.540 nan 8.290 nan 0.000 0.497 32 V N -0.772 119.132 119.914 -0.016 0.000 2.843 32 V HA 0.607 4.727 4.120 0.000 0.000 0.305 32 V C 1.113 177.168 176.094 -0.064 0.000 1.065 32 V CA -0.125 62.141 62.300 -0.057 0.000 1.116 32 V CB 0.306 32.095 31.823 -0.056 0.000 0.968 32 V HN 0.946 nan 8.190 nan 0.000 0.487 33 G N 3.609 112.338 108.800 -0.118 0.000 2.516 33 G HA2 0.531 4.491 3.960 0.000 0.000 0.276 33 G HA3 0.531 4.491 3.960 0.000 0.000 0.276 33 G C -2.121 172.710 174.900 -0.116 0.000 1.390 33 G CA -0.811 44.230 45.100 -0.098 0.000 1.050 33 G HN 0.845 nan 8.290 nan 0.000 0.519 34 P HA 0.321 nan 4.420 nan 0.000 0.277 34 P C -1.222 176.013 177.300 -0.108 0.000 1.276 34 P CA -0.298 62.809 63.100 0.013 0.000 0.788 34 P CB 0.674 32.398 31.700 0.040 0.000 1.114 35 F N -0.726 119.216 119.950 -0.014 0.000 2.458 35 F HA 0.315 4.843 4.527 0.000 0.000 0.336 35 F C 0.970 176.754 175.800 -0.026 0.000 1.114 35 F CA -0.292 57.693 58.000 -0.024 0.000 0.987 35 F CB 1.641 40.620 39.000 -0.035 0.000 1.130 35 F HN 0.081 nan 8.300 nan 0.000 0.458 36 S N 2.255 118.017 115.700 0.103 0.000 2.474 36 S HA 0.182 4.652 4.470 0.000 0.000 0.320 36 S C 0.932 175.547 174.600 0.025 0.000 1.067 36 S CA -0.494 57.742 58.200 0.060 0.000 1.127 36 S CB 0.612 63.834 63.200 0.036 0.000 0.971 36 S HN 0.745 nan 8.310 nan 0.000 0.472 37 T N 5.119 119.669 114.554 -0.007 0.000 2.822 37 T HA -0.135 4.216 4.350 0.000 0.000 0.270 37 T C 1.645 176.239 174.700 -0.176 0.000 1.064 37 T CA 1.711 63.724 62.100 -0.146 0.000 1.131 37 T CB -0.323 68.483 68.868 -0.102 0.000 0.858 37 T HN 0.608 nan 8.240 nan 0.000 0.483 38 L N 0.542 121.789 121.223 0.041 0.000 2.005 38 L HA 0.042 4.382 4.340 0.000 0.000 0.207 38 L C 2.074 179.068 176.870 0.206 0.000 1.072 38 L CA 1.484 56.445 54.840 0.201 0.000 0.744 38 L CB -0.748 41.407 42.059 0.161 0.000 0.895 38 L HN 0.086 nan 8.230 nan 0.000 0.433 39 L N 0.553 121.850 121.223 0.123 0.000 2.013 39 L HA -0.164 4.177 4.340 0.000 0.000 0.212 39 L C 2.506 179.471 176.870 0.158 0.000 1.073 39 L CA 2.137 57.064 54.840 0.145 0.000 0.753 39 L CB -1.866 40.245 42.059 0.086 0.000 0.890 39 L HN 0.458 nan 8.230 nan 0.000 0.432 40 G N -2.437 106.369 108.800 0.010 0.000 2.527 40 G HA2 -0.281 3.679 3.960 0.000 0.000 0.219 40 G HA3 -0.281 3.679 3.960 0.000 0.000 0.219 40 G C 1.269 176.123 174.900 -0.076 0.000 1.117 40 G CA 0.403 45.456 45.100 -0.078 0.000 0.759 40 G HN 0.507 nan 8.290 nan 0.000 0.556 41 W N -1.472 119.945 121.300 0.195 0.000 2.519 41 W HA 0.272 4.932 4.660 0.000 0.000 0.266 41 W C 1.852 178.640 176.519 0.447 0.000 1.253 41 W CA -0.299 57.204 57.345 0.263 0.000 1.274 41 W CB -0.057 29.510 29.460 0.179 0.000 1.114 41 W HN 0.180 nan 8.180 nan 0.000 0.596 42 F N -1.172 119.023 119.950 0.408 0.000 2.549 42 F HA 0.441 4.968 4.527 0.000 0.000 0.275 42 F C 1.486 177.368 175.800 0.136 0.000 0.990 42 F CA 1.139 59.319 58.000 0.300 0.000 1.274 42 F CB -0.307 38.876 39.000 0.306 0.000 1.064 42 F HN -0.254 nan 8.300 nan 0.000 0.715 43 G N -0.449 108.479 108.800 0.212 0.000 3.247 43 G HA2 0.201 4.161 3.960 0.000 0.000 0.199 43 G HA3 0.201 4.161 3.960 0.000 0.000 0.199 43 G C -1.181 173.754 174.900 0.058 0.000 1.172 43 G CA -0.750 44.388 45.100 0.064 0.000 0.844 43 G HN -0.064 nan 8.290 nan 0.000 0.619 44 N N 0.613 119.334 118.700 0.035 0.000 2.492 44 N HA 0.329 5.069 4.740 0.000 0.000 0.262 44 N C 1.129 176.653 175.510 0.024 0.000 1.202 44 N CA 0.461 53.524 53.050 0.022 0.000 0.926 44 N CB 1.690 40.178 38.487 0.003 0.000 1.078 44 N HN 0.528 nan 8.380 nan 0.000 0.454 45 A N 2.422 125.263 122.820 0.036 0.000 2.016 45 A HA -0.093 4.227 4.320 0.000 0.000 0.217 45 A C 1.007 178.568 177.584 -0.039 0.000 1.162 45 A CA 0.594 52.665 52.037 0.056 0.000 0.662 45 A CB -0.200 18.887 19.000 0.145 0.000 0.812 45 A HN 0.768 nan 8.150 nan 0.000 0.450 46 Q N 0.562 120.277 119.800 -0.142 0.000 2.332 46 Q HA 0.364 4.704 4.340 0.000 0.000 0.263 46 Q C -1.117 174.681 176.000 -0.336 0.000 0.979 46 Q CA -0.181 55.312 55.803 -0.515 0.000 0.885 46 Q CB 0.408 28.890 28.738 -0.427 0.000 1.218 46 Q HN 0.283 nan 8.270 nan 0.000 0.405 47 L N 3.454 124.436 121.223 -0.402 0.000 2.325 47 L HA 0.563 4.903 4.340 0.000 0.000 0.278 47 L C 0.817 177.561 176.870 -0.210 0.000 1.023 47 L CA 0.859 55.567 54.840 -0.221 0.000 0.811 47 L CB 0.658 42.619 42.059 -0.163 0.000 1.249 47 L HN 1.054 nan 8.230 nan 0.000 0.431 48 G N 4.441 113.167 108.800 -0.122 0.000 2.740 48 G HA2 -0.186 3.774 3.960 0.000 0.000 0.250 48 G HA3 -0.186 3.774 3.960 0.000 0.000 0.250 48 G C -2.735 172.108 174.900 -0.094 0.000 1.358 48 G CA -0.789 44.259 45.100 -0.088 0.000 0.897 48 G HN 0.431 nan 8.290 nan 0.000 0.567 49 P HA 0.548 nan 4.420 nan 0.000 0.274 49 P C 0.160 177.456 177.300 -0.008 0.000 1.260 49 P CA -0.452 62.630 63.100 -0.029 0.000 0.793 49 P CB 0.652 32.346 31.700 -0.010 0.000 1.048 50 I N -0.789 119.786 120.570 0.009 0.000 2.846 50 I HA 0.408 4.579 4.170 0.000 0.000 0.307 50 I C -1.170 174.990 176.117 0.071 0.000 1.053 50 I CA -1.431 59.893 61.300 0.040 0.000 1.050 50 I CB 1.786 39.807 38.000 0.035 0.000 1.239 50 I HN 0.182 nan 8.210 nan 0.000 0.439 51 Y N 6.216 126.488 120.300 -0.047 0.000 2.326 51 Y HA 0.305 4.855 4.550 0.000 0.000 0.337 51 Y C -0.314 175.560 175.900 -0.045 0.000 1.023 51 Y CA -0.473 57.594 58.100 -0.056 0.000 1.143 51 Y CB 0.893 39.301 38.460 -0.087 0.000 1.183 51 Y HN 0.425 nan 8.280 nan 0.000 0.485 52 L N 4.013 124.977 121.223 -0.433 0.000 2.185 52 L HA 0.488 4.828 4.340 0.000 0.000 0.202 52 L C 1.167 177.834 176.870 -0.339 0.000 1.234 52 L CA 1.235 55.910 54.840 -0.276 0.000 1.175 52 L CB -1.714 40.210 42.059 -0.225 0.000 1.136 52 L HN 0.904 nan 8.230 nan 0.000 0.643 53 G N -0.935 107.623 108.800 -0.403 0.000 2.814 53 G HA2 -0.219 3.741 3.960 0.000 0.000 0.677 53 G HA3 -0.219 3.741 3.960 0.000 0.000 0.677 53 G C 0.662 175.529 174.900 -0.055 0.000 1.429 53 G CA 0.065 45.042 45.100 -0.205 0.000 0.868 53 G HN 0.329 nan 8.290 nan 0.000 0.553 54 S N -0.033 115.661 115.700 -0.010 0.000 2.355 54 S HA -0.048 4.422 4.470 0.000 0.000 0.222 54 S C 2.525 177.153 174.600 0.047 0.000 1.031 54 S CA 1.363 59.571 58.200 0.014 0.000 0.993 54 S CB -0.257 62.954 63.200 0.018 0.000 0.859 54 S HN 0.573 nan 8.310 nan 0.000 0.453 55 L N 1.231 122.488 121.223 0.056 0.000 2.043 55 L HA -0.157 4.183 4.340 0.000 0.000 0.212 55 L C 2.607 179.530 176.870 0.088 0.000 1.075 55 L CA 1.673 56.556 54.840 0.072 0.000 0.752 55 L CB -1.272 40.815 42.059 0.048 0.000 0.891 55 L HN 0.486 nan 8.230 nan 0.000 0.432 56 G N -1.057 107.784 108.800 0.067 0.000 2.421 56 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 56 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 56 G C 1.592 176.577 174.900 0.142 0.000 1.171 56 G CA 0.844 46.000 45.100 0.093 0.000 0.775 56 G HN 0.250 nan 8.290 nan 0.000 0.543 57 V N 0.814 120.786 119.914 0.097 0.000 2.295 57 V HA -0.138 3.982 4.120 0.000 0.000 0.246 57 V C 2.690 178.890 176.094 0.176 0.000 1.049 57 V CA 1.673 64.039 62.300 0.109 0.000 1.024 57 V CB -0.509 31.342 31.823 0.048 0.000 0.648 57 V HN 0.369 nan 8.190 nan 0.000 0.447 58 L N 0.236 121.557 121.223 0.163 0.000 2.013 58 L HA -0.198 4.143 4.340 0.000 0.000 0.212 58 L C 2.591 179.626 176.870 0.275 0.000 1.073 58 L CA 2.665 57.640 54.840 0.224 0.000 0.753 58 L CB -0.926 41.239 42.059 0.178 0.000 0.890 58 L HN 0.334 nan 8.230 nan 0.000 0.432 59 S N -1.364 114.481 115.700 0.242 0.000 2.368 59 S HA -0.140 4.330 4.470 0.000 0.000 0.224 59 S C 1.986 176.704 174.600 0.196 0.000 1.029 59 S CA 1.308 59.660 58.200 0.254 0.000 0.988 59 S CB -0.489 62.943 63.200 0.387 0.000 0.838 59 S HN 0.456 nan 8.310 nan 0.000 0.462 60 L N 0.734 122.084 121.223 0.211 0.000 2.027 60 L HA 0.097 4.437 4.340 0.000 0.000 0.206 60 L C 1.993 178.927 176.870 0.106 0.000 1.074 60 L CA 1.980 56.895 54.840 0.125 0.000 0.745 60 L CB -0.910 41.236 42.059 0.145 0.000 0.898 60 L HN 0.481 nan 8.230 nan 0.000 0.433 61 F N -0.748 119.231 119.950 0.047 0.000 2.134 61 F HA -0.184 4.343 4.527 0.000 0.000 0.299 61 F C 2.661 178.458 175.800 -0.006 0.000 1.097 61 F CA 1.765 59.785 58.000 0.034 0.000 1.264 61 F CB -0.723 38.313 39.000 0.061 0.000 1.001 61 F HN 0.157 nan 8.300 nan 0.000 0.479 62 S N -0.084 115.597 115.700 -0.031 0.000 2.383 62 S HA -0.065 4.406 4.470 0.000 0.000 0.227 62 S C 2.289 176.813 174.600 -0.126 0.000 1.026 62 S CA 1.290 59.446 58.200 -0.074 0.000 0.981 62 S CB -1.140 62.182 63.200 0.204 0.000 0.818 62 S HN 0.593 nan 8.310 nan 0.000 0.472 63 G N 1.292 110.039 108.800 -0.088 0.000 2.408 63 G HA2 -0.043 3.917 3.960 0.000 0.000 0.217 63 G HA3 -0.043 3.917 3.960 0.000 0.000 0.217 63 G C 1.406 176.258 174.900 -0.079 0.000 1.150 63 G CA 0.558 45.614 45.100 -0.073 0.000 0.776 63 G HN 0.486 nan 8.290 nan 0.000 0.542 64 L N -0.023 121.049 121.223 -0.252 0.000 2.017 64 L HA -0.087 4.253 4.340 0.000 0.000 0.208 64 L C 3.067 179.635 176.870 -0.503 0.000 1.073 64 L CA 0.794 55.358 54.840 -0.460 0.000 0.745 64 L CB -0.365 41.506 42.059 -0.314 0.000 0.894 64 L HN 0.142 nan 8.230 nan 0.000 0.432 65 M N -1.176 118.094 119.600 -0.550 0.000 2.149 65 M HA -0.264 4.216 4.480 0.000 0.000 0.261 65 M C 2.080 178.139 176.300 -0.403 0.000 1.064 65 M CA 1.737 56.607 55.300 -0.716 0.000 1.102 65 M CB -1.299 30.241 32.600 -1.767 0.000 1.369 65 M HN 0.466 nan 8.290 nan 0.000 0.408 66 W N 0.341 121.411 121.300 -0.382 0.000 2.379 66 W HA -0.248 4.412 4.660 0.000 0.000 0.307 66 W C 2.213 178.601 176.519 -0.219 0.000 1.200 66 W CA 1.281 58.510 57.345 -0.193 0.000 1.297 66 W CB -0.871 28.491 29.460 -0.164 0.000 1.140 66 W HN 0.174 nan 8.180 nan 0.000 0.507 67 F N -0.087 119.534 119.950 -0.549 0.000 2.134 67 F HA -0.110 4.417 4.527 0.000 0.000 0.299 67 F C 2.048 177.525 175.800 -0.537 0.000 1.097 67 F CA 1.984 59.505 58.000 -0.799 0.000 1.264 67 F CB -0.905 37.686 39.000 -0.681 0.000 1.001 67 F HN -0.112 nan 8.300 nan 0.000 0.479 68 F N -0.726 119.084 119.950 -0.234 0.000 2.293 68 F HA -0.145 4.382 4.527 0.000 0.000 0.297 68 F C 2.367 178.037 175.800 -0.216 0.000 1.089 68 F CA 1.043 58.909 58.000 -0.223 0.000 1.377 68 F CB -0.786 38.150 39.000 -0.107 0.000 1.051 68 F HN -0.196 nan 8.300 nan 0.000 0.511 69 T N 0.917 115.442 114.554 -0.048 0.000 2.746 69 T HA -0.171 4.179 4.350 0.000 0.000 0.267 69 T C 1.900 176.538 174.700 -0.104 0.000 1.039 69 T CA 1.333 63.419 62.100 -0.023 0.000 1.142 69 T CB -0.366 68.517 68.868 0.025 0.000 0.866 69 T HN 0.175 nan 8.240 nan 0.000 0.444 70 I N 0.977 121.317 120.570 -0.383 0.000 2.286 70 I HA -0.031 4.140 4.170 0.000 0.000 0.245 70 I C 2.860 178.633 176.117 -0.574 0.000 1.104 70 I CA 1.161 62.144 61.300 -0.529 0.000 1.397 70 I CB -0.563 36.885 38.000 -0.919 0.000 1.072 70 I HN 0.289 nan 8.210 nan 0.000 0.417 71 G N 0.823 109.327 108.800 -0.493 0.000 2.402 71 G HA2 -0.192 3.769 3.960 0.000 0.000 0.216 71 G HA3 -0.192 3.769 3.960 0.000 0.000 0.216 71 G C 1.645 176.665 174.900 0.199 0.000 1.162 71 G CA 0.462 45.429 45.100 -0.223 0.000 0.777 71 G HN 0.201 nan 8.290 nan 0.000 0.539 72 I N -0.308 120.383 120.570 0.202 0.000 2.163 72 I HA -0.139 4.032 4.170 0.000 0.000 0.243 72 I C 2.415 178.712 176.117 0.301 0.000 1.085 72 I CA 1.091 62.569 61.300 0.297 0.000 1.347 72 I CB -0.206 37.935 38.000 0.236 0.000 1.044 72 I HN 0.450 nan 8.210 nan 0.000 0.408 73 W N 0.245 121.610 121.300 0.107 0.000 2.363 73 W HA -0.284 4.377 4.660 0.000 0.000 0.296 73 W C 2.061 178.712 176.519 0.219 0.000 1.212 73 W CA 1.169 58.616 57.345 0.169 0.000 1.260 73 W CB -0.262 29.306 29.460 0.181 0.000 1.131 73 W HN 0.092 nan 8.180 nan 0.000 0.530 74 F N -0.426 119.431 119.950 -0.155 0.000 2.113 74 F HA -0.101 4.426 4.527 0.000 0.000 0.297 74 F C 2.111 177.396 175.800 -0.857 0.000 1.103 74 F CA 1.033 58.651 58.000 -0.636 0.000 1.248 74 F CB -1.694 37.038 39.000 -0.447 0.000 0.999 74 F HN -0.120 nan 8.300 nan 0.000 0.475 75 W N -1.119 120.063 121.300 -0.197 0.000 2.338 75 W HA -0.283 4.377 4.660 0.000 0.000 0.304 75 W C 2.638 178.560 176.519 -0.996 0.000 1.212 75 W CA 1.826 58.929 57.345 -0.402 0.000 1.264 75 W CB -1.147 28.153 29.460 -0.267 0.000 1.142 75 W HN 0.074 nan 8.180 nan 0.000 0.512 76 Y N 1.220 120.912 120.300 -1.014 0.000 2.128 76 Y HA -0.327 4.223 4.550 0.000 0.000 0.284 76 Y C 2.372 177.715 175.900 -0.928 0.000 1.154 76 Y CA 2.246 59.593 58.100 -1.254 0.000 1.149 76 Y CB -0.816 37.194 38.460 -0.750 0.000 0.976 76 Y HN 0.023 nan 8.280 nan 0.000 0.505 77 Q N -0.520 118.676 119.800 -1.008 0.000 2.226 77 Q HA -0.129 4.211 4.340 0.000 0.000 0.204 77 Q C 2.152 177.814 176.000 -0.564 0.000 0.975 77 Q CA 1.077 56.381 55.803 -0.832 0.000 0.866 77 Q CB -0.263 28.074 28.738 -0.669 0.000 0.915 77 Q HN 0.612 nan 8.270 nan 0.000 0.440 78 A N 0.160 122.588 122.820 -0.654 0.000 2.238 78 A HA 0.245 4.565 4.320 0.000 0.000 0.208 78 A C 1.390 178.825 177.584 -0.249 0.000 1.177 78 A CA 0.652 52.513 52.037 -0.294 0.000 0.804 78 A CB -0.345 18.513 19.000 -0.238 0.000 0.823 78 A HN 0.414 nan 8.150 nan 0.000 0.482 79 G N -1.895 106.610 108.800 -0.492 0.000 2.305 79 G HA2 -0.300 3.660 3.960 0.000 0.000 0.287 79 G HA3 -0.300 3.660 3.960 0.000 0.000 0.287 79 G C 0.332 175.191 174.900 -0.069 0.000 1.036 79 G CA 0.358 45.239 45.100 -0.365 0.000 0.887 79 G HN 1.165 nan 8.290 nan 0.000 0.505 80 W N -2.828 118.542 121.300 0.116 0.000 2.902 80 W HA -0.216 4.444 4.660 0.000 0.000 0.278 80 W C 0.732 177.411 176.519 0.267 0.000 1.066 80 W CA 0.296 57.768 57.345 0.212 0.000 0.570 80 W CB -1.876 27.619 29.460 0.058 0.000 2.092 80 W HN 0.629 nan 8.180 nan 0.000 1.423 81 N N 1.328 120.232 118.700 0.341 0.000 2.469 81 N HA 0.181 4.921 4.740 0.000 0.000 0.239 81 N C -1.022 174.680 175.510 0.320 0.000 1.053 81 N CA -1.855 51.360 53.050 0.274 0.000 0.937 81 N CB 1.163 39.739 38.487 0.148 0.000 1.163 81 N HN -0.234 nan 8.380 nan 0.000 0.509 82 P HA -0.215 nan 4.420 nan 0.000 0.217 82 P C 0.790 178.221 177.300 0.218 0.000 1.158 82 P CA 1.878 65.208 63.100 0.384 0.000 0.887 82 P CB 0.225 32.110 31.700 0.309 0.000 0.792 83 A N -1.238 121.676 122.820 0.156 0.000 1.969 83 A HA -0.120 4.200 4.320 0.000 0.000 0.218 83 A C 2.330 179.951 177.584 0.061 0.000 1.169 83 A CA 1.625 53.718 52.037 0.093 0.000 0.635 83 A CB -1.471 17.567 19.000 0.063 0.000 0.810 83 A HN 0.077 nan 8.150 nan 0.000 0.445 84 V N -1.442 118.519 119.914 0.077 0.000 2.488 84 V HA -0.156 3.964 4.120 0.000 0.000 0.246 84 V C 2.175 178.333 176.094 0.107 0.000 1.046 84 V CA 1.653 63.982 62.300 0.048 0.000 1.053 84 V CB -0.882 30.971 31.823 0.050 0.000 0.679 84 V HN 0.638 nan 8.190 nan 0.000 0.458 85 F N 0.604 120.513 119.950 -0.069 0.000 2.091 85 F HA -0.241 4.286 4.527 0.000 0.000 0.299 85 F C 2.040 177.796 175.800 -0.073 0.000 1.103 85 F CA 1.908 59.799 58.000 -0.181 0.000 1.228 85 F CB -0.127 38.358 39.000 -0.858 0.000 0.984 85 F HN 0.028 nan 8.300 nan 0.000 0.477 86 L N -0.226 121.013 121.223 0.027 0.000 2.109 86 L HA -0.135 4.205 4.340 0.000 0.000 0.207 86 L C 2.667 179.420 176.870 -0.194 0.000 1.086 86 L CA 1.272 56.062 54.840 -0.083 0.000 0.760 86 L CB -0.745 41.331 42.059 0.029 0.000 0.910 86 L HN 0.147 nan 8.230 nan 0.000 0.437 87 R N 0.347 120.757 120.500 -0.150 0.000 2.075 87 R HA -0.155 4.185 4.340 0.000 0.000 0.232 87 R C 0.725 176.847 176.300 -0.296 0.000 1.126 87 R CA 1.694 57.680 56.100 -0.191 0.000 0.963 87 R CB 0.103 30.311 30.300 -0.153 0.000 0.858 87 R HN 0.250 nan 8.270 nan 0.000 0.435 88 D N 0.112 120.265 120.400 -0.412 0.000 2.402 88 D HA 0.005 4.646 4.640 0.000 0.000 0.216 88 D C 1.206 176.906 176.300 -0.999 0.000 1.128 88 D CA -0.127 53.448 54.000 -0.708 0.000 0.833 88 D CB 0.501 40.717 40.800 -0.973 0.000 0.971 88 D HN 0.091 nan 8.370 nan 0.000 0.503 89 L N 0.236 121.080 121.223 -0.632 0.000 2.021 89 L HA -0.187 4.153 4.340 0.000 0.000 0.215 89 L C 1.430 178.136 176.870 -0.273 0.000 1.074 89 L CA 1.740 56.297 54.840 -0.472 0.000 0.760 89 L CB -0.483 41.291 42.059 -0.475 0.000 0.889 89 L HN -0.003 nan 8.230 nan 0.000 0.433 90 F N -1.808 117.811 119.950 -0.551 0.000 2.802 90 F HA 0.012 4.539 4.527 0.000 0.000 0.300 90 F C 1.829 177.036 175.800 -0.988 0.000 1.168 90 F CA 0.189 57.635 58.000 -0.924 0.000 1.433 90 F CB -1.106 36.917 39.000 -1.628 0.000 1.115 90 F HN 0.080 nan 8.300 nan 0.000 0.582 91 F N -2.154 117.468 119.950 -0.547 0.000 2.678 91 F HA 0.157 4.684 4.527 0.000 0.000 0.291 91 F C 0.886 176.427 175.800 -0.431 0.000 1.123 91 F CA -0.460 57.313 58.000 -0.378 0.000 1.395 91 F CB -0.332 38.423 39.000 -0.409 0.000 1.121 91 F HN -0.353 nan 8.300 nan 0.000 0.592 92 F N 0.570 120.297 119.950 -0.372 0.000 2.535 92 F HA 0.324 4.852 4.527 0.000 0.000 0.332 92 F C 0.753 176.293 175.800 -0.434 0.000 1.208 92 F CA -0.403 57.169 58.000 -0.712 0.000 1.330 92 F CB 0.243 38.172 39.000 -1.784 0.000 1.167 92 F HN -0.329 nan 8.300 nan 0.000 0.597 93 S N 1.736 117.579 115.700 0.238 0.000 2.605 93 S HA 0.405 4.875 4.470 0.000 0.000 0.279 93 S C -1.814 173.245 174.600 0.765 0.000 1.166 93 S CA -0.756 57.767 58.200 0.538 0.000 0.975 93 S CB 0.526 63.937 63.200 0.352 0.000 1.111 93 S HN 0.567 nan 8.310 nan 0.000 0.465 94 L N 5.254 126.935 121.223 0.763 0.000 2.283 94 L HA 0.583 4.924 4.340 0.000 0.000 0.287 94 L C -0.151 176.923 176.870 0.340 0.000 1.073 94 L CA 0.464 55.530 54.840 0.377 0.000 0.822 94 L CB 0.447 42.703 42.059 0.328 0.000 1.186 94 L HN 0.625 nan 8.230 nan 0.000 0.436 95 E N 6.946 127.227 120.200 0.135 0.000 2.242 95 E HA 0.470 4.820 4.350 0.000 0.000 0.275 95 E C -2.462 173.970 176.600 -0.280 0.000 1.002 95 E CA -1.863 54.528 56.400 -0.014 0.000 0.841 95 E CB 1.057 30.781 29.700 0.039 0.000 1.109 95 E HN 0.449 nan 8.360 nan 0.000 0.394 96 P HA 0.228 nan 4.420 nan 0.000 0.274 96 P C -2.550 174.490 177.300 -0.434 0.000 1.256 96 P CA -1.521 60.868 63.100 -1.186 0.000 0.795 96 P CB -0.503 30.162 31.700 -1.725 0.000 1.038 97 P HA 0.019 nan 4.420 nan 0.000 0.269 97 P C -0.131 177.186 177.300 0.028 0.000 1.211 97 P CA 0.344 63.407 63.100 -0.061 0.000 0.781 97 P CB -0.032 31.683 31.700 0.025 0.000 0.877 98 A N 4.188 127.113 122.820 0.174 0.000 2.406 98 A HA 0.239 4.559 4.320 0.000 0.000 0.243 98 A C -1.238 176.416 177.584 0.116 0.000 1.082 98 A CA -0.777 51.347 52.037 0.144 0.000 0.786 98 A CB -1.136 17.967 19.000 0.172 0.000 1.029 98 A HN 0.421 nan 8.150 nan 0.000 0.495 99 P HA -0.164 nan 4.420 nan 0.000 0.217 99 P C 0.731 178.008 177.300 -0.039 0.000 1.148 99 P CA 1.586 64.680 63.100 -0.010 0.000 0.828 99 P CB 0.147 31.829 31.700 -0.030 0.000 0.783 100 E N -2.045 118.104 120.200 -0.085 0.000 2.268 100 E HA -0.152 4.198 4.350 0.000 0.000 0.195 100 E C 1.254 177.692 176.600 -0.270 0.000 0.995 100 E CA 0.921 57.197 56.400 -0.208 0.000 0.836 100 E CB -0.806 28.715 29.700 -0.299 0.000 0.763 100 E HN 0.472 nan 8.360 nan 0.000 0.491 101 Y N -0.152 120.138 120.300 -0.017 0.000 2.529 101 Y HA 0.124 4.674 4.550 0.000 0.000 0.290 101 Y C 1.773 177.650 175.900 -0.039 0.000 1.177 101 Y CA 0.206 58.303 58.100 -0.005 0.000 1.305 101 Y CB -0.145 38.333 38.460 0.029 0.000 1.047 101 Y HN 0.095 nan 8.280 nan 0.000 0.522 102 G N 1.029 109.839 108.800 0.017 0.000 2.651 102 G HA2 -0.367 3.593 3.960 0.000 0.000 0.315 102 G HA3 -0.367 3.593 3.960 0.000 0.000 0.315 102 G C 0.567 175.319 174.900 -0.248 0.000 1.258 102 G CA 0.700 45.736 45.100 -0.107 0.000 1.002 102 G HN 0.282 nan 8.290 nan 0.000 0.551 103 L N 1.832 122.840 121.223 -0.358 0.000 2.700 103 L HA 0.376 4.716 4.340 0.000 0.000 0.234 103 L C 1.683 178.403 176.870 -0.250 0.000 1.156 103 L CA 0.534 54.955 54.840 -0.698 0.000 0.946 103 L CB 0.128 41.763 42.059 -0.708 0.000 1.216 103 L HN 0.655 nan 8.230 nan 0.000 0.493 104 S N -0.825 114.851 115.700 -0.040 0.000 2.632 104 S HA 0.262 4.732 4.470 0.000 0.000 0.267 104 S C 0.173 174.767 174.600 -0.010 0.000 1.276 104 S CA -0.311 57.924 58.200 0.058 0.000 0.998 104 S CB 0.676 63.964 63.200 0.147 0.000 0.953 104 S HN 0.160 nan 8.310 nan 0.000 0.547 105 F N 0.763 120.828 119.950 0.192 0.000 2.730 105 F HA 0.474 5.001 4.527 0.000 0.000 0.295 105 F C 1.584 177.404 175.800 0.033 0.000 1.143 105 F CA -0.187 57.874 58.000 0.102 0.000 1.367 105 F CB -0.261 38.772 39.000 0.054 0.000 0.970 105 F HN 0.757 nan 8.300 nan 0.000 0.514 106 A N -0.081 122.831 122.820 0.153 0.000 2.348 106 A HA 0.624 4.944 4.320 0.000 0.000 0.224 106 A C 1.331 178.879 177.584 -0.060 0.000 1.227 106 A CA 0.111 52.210 52.037 0.104 0.000 0.885 106 A CB -0.411 18.697 19.000 0.180 0.000 0.933 106 A HN 0.168 nan 8.150 nan 0.000 0.506 107 A N 1.343 123.956 122.820 -0.345 0.000 2.462 107 A HA 0.528 4.848 4.320 0.000 0.000 0.243 107 A C -2.365 175.027 177.584 -0.320 0.000 1.076 107 A CA -0.946 50.607 52.037 -0.807 0.000 0.773 107 A CB -0.418 17.997 19.000 -0.977 0.000 1.010 107 A HN 0.238 nan 8.150 nan 0.000 0.493 108 P HA 0.098 nan 4.420 nan 0.000 0.269 108 P C 1.141 178.395 177.300 -0.078 0.000 1.209 108 P CA -0.356 62.697 63.100 -0.079 0.000 0.776 108 P CB 0.403 32.098 31.700 -0.008 0.000 0.876 109 L N 1.592 122.794 121.223 -0.036 0.000 2.054 109 L HA -0.301 4.040 4.340 0.000 0.000 0.220 109 L C 1.889 178.713 176.870 -0.077 0.000 1.081 109 L CA 2.038 56.857 54.840 -0.035 0.000 0.780 109 L CB -0.630 41.433 42.059 0.007 0.000 0.893 109 L HN 0.519 nan 8.230 nan 0.000 0.438 110 K N -0.441 119.954 120.400 -0.009 0.000 2.486 110 K HA -0.039 4.281 4.320 0.000 0.000 0.194 110 K C 0.270 176.863 176.600 -0.012 0.000 1.033 110 K CA 0.538 56.857 56.287 0.052 0.000 1.004 110 K CB 0.209 32.848 32.500 0.231 0.000 0.798 110 K HN 0.418 nan 8.250 nan 0.000 0.495 111 E N -0.810 119.356 120.200 -0.057 0.000 3.575 111 E HA 0.194 4.544 4.350 0.000 0.000 0.201 111 E C 0.240 176.767 176.600 -0.121 0.000 0.999 111 E CA -0.157 56.217 56.400 -0.043 0.000 1.315 111 E CB 1.427 31.153 29.700 0.043 0.000 1.146 111 E HN 0.286 nan 8.360 nan 0.000 0.453 112 G N 0.252 108.966 108.800 -0.144 0.000 2.545 112 G HA2 -0.238 3.722 3.960 0.000 0.000 0.195 112 G HA3 -0.238 3.722 3.960 0.000 0.000 0.195 112 G C 1.125 176.009 174.900 -0.025 0.000 1.009 112 G CA -0.171 44.873 45.100 -0.094 0.000 0.703 112 G HN 0.419 nan 8.290 nan 0.000 0.479 113 G N 0.876 109.627 108.800 -0.083 0.000 2.446 113 G HA2 0.010 3.971 3.960 0.000 0.000 0.217 113 G HA3 0.010 3.971 3.960 0.000 0.000 0.217 113 G C 1.713 176.613 174.900 0.001 0.000 1.168 113 G CA 1.622 46.700 45.100 -0.038 0.000 0.771 113 G HN 0.566 nan 8.290 nan 0.000 0.551 114 L N -0.617 120.584 121.223 -0.036 0.000 2.141 114 L HA 0.095 4.435 4.340 0.000 0.000 0.209 114 L C 2.305 179.200 176.870 0.041 0.000 1.094 114 L CA 0.963 55.788 54.840 -0.025 0.000 0.763 114 L CB -0.985 40.991 42.059 -0.138 0.000 0.908 114 L HN 0.548 nan 8.230 nan 0.000 0.437 115 W N -0.254 120.983 121.300 -0.106 0.000 2.358 115 W HA -0.208 4.452 4.660 0.000 0.000 0.303 115 W C 2.264 178.819 176.519 0.061 0.000 1.208 115 W CA 1.492 58.850 57.345 0.020 0.000 1.274 115 W CB -0.138 29.290 29.460 -0.054 0.000 1.138 115 W HN 0.068 nan 8.180 nan 0.000 0.515 116 L N 0.199 121.503 121.223 0.136 0.000 2.083 116 L HA -0.233 4.107 4.340 0.000 0.000 0.209 116 L C 2.394 179.211 176.870 -0.087 0.000 1.083 116 L CA 1.404 56.199 54.840 -0.075 0.000 0.752 116 L CB -0.743 41.312 42.059 -0.006 0.000 0.899 116 L HN 0.038 nan 8.230 nan 0.000 0.433 117 I N -0.404 120.151 120.570 -0.024 0.000 2.202 117 I HA -0.260 3.910 4.170 0.000 0.000 0.242 117 I C 2.811 178.988 176.117 0.100 0.000 1.091 117 I CA 1.074 62.366 61.300 -0.013 0.000 1.368 117 I CB -0.510 37.511 38.000 0.036 0.000 1.058 117 I HN 0.185 nan 8.210 nan 0.000 0.410 118 A N 0.333 123.213 122.820 0.099 0.000 1.883 118 A HA -0.225 4.096 4.320 0.000 0.000 0.217 118 A C 2.502 180.192 177.584 0.176 0.000 1.186 118 A CA 2.390 54.517 52.037 0.150 0.000 0.624 118 A CB -0.839 18.075 19.000 -0.143 0.000 0.822 118 A HN 0.390 nan 8.150 nan 0.000 0.444 119 S N -1.166 114.470 115.700 -0.107 0.000 2.368 119 S HA -0.147 4.323 4.470 0.000 0.000 0.225 119 S C 1.660 176.261 174.600 0.002 0.000 1.030 119 S CA 1.468 59.572 58.200 -0.160 0.000 0.999 119 S CB -0.558 62.236 63.200 -0.676 0.000 0.844 119 S HN 0.642 nan 8.310 nan 0.000 0.459 120 F N 1.739 121.599 119.950 -0.150 0.000 2.091 120 F HA -0.166 4.361 4.527 0.000 0.000 0.299 120 F C 1.694 177.482 175.800 -0.019 0.000 1.103 120 F CA 1.397 59.306 58.000 -0.151 0.000 1.228 120 F CB -0.450 38.357 39.000 -0.321 0.000 0.984 120 F HN 0.120 nan 8.300 nan 0.000 0.477 121 F N -0.150 119.841 119.950 0.068 0.000 2.234 121 F HA -0.166 4.361 4.527 0.000 0.000 0.299 121 F C 2.576 178.317 175.800 -0.098 0.000 1.087 121 F CA 1.427 59.420 58.000 -0.012 0.000 1.340 121 F CB -0.851 38.221 39.000 0.119 0.000 1.031 121 F HN 0.068 nan 8.300 nan 0.000 0.500 122 M N -1.509 118.111 119.600 0.033 0.000 2.156 122 M HA -0.189 4.291 4.480 0.000 0.000 0.264 122 M C 2.287 178.587 176.300 0.001 0.000 1.067 122 M CA 1.518 56.647 55.300 -0.285 0.000 1.131 122 M CB -0.393 31.852 32.600 -0.592 0.000 1.368 122 M HN 0.189 nan 8.290 nan 0.000 0.416 123 F N 0.398 120.370 119.950 0.036 0.000 2.043 123 F HA -0.268 4.260 4.527 0.000 0.000 0.297 123 F C 2.272 178.159 175.800 0.145 0.000 1.121 123 F CA 2.308 60.431 58.000 0.206 0.000 1.199 123 F CB -0.560 38.437 39.000 -0.004 0.000 0.968 123 F HN 0.087 nan 8.300 nan 0.000 0.478 124 V N 0.275 120.274 119.914 0.142 0.000 2.515 124 V HA -0.109 4.011 4.120 0.000 0.000 0.250 124 V C 2.188 178.335 176.094 0.089 0.000 1.058 124 V CA 1.741 64.096 62.300 0.092 0.000 1.064 124 V CB -1.232 30.575 31.823 -0.028 0.000 0.675 124 V HN 0.406 nan 8.190 nan 0.000 0.461 125 A N 0.100 122.932 122.820 0.021 0.000 1.877 125 A HA -0.082 4.238 4.320 0.000 0.000 0.216 125 A C 2.378 179.939 177.584 -0.039 0.000 1.186 125 A CA 2.324 54.354 52.037 -0.011 0.000 0.620 125 A CB -0.886 18.037 19.000 -0.129 0.000 0.822 125 A HN 0.516 nan 8.150 nan 0.000 0.443 126 V N -2.328 117.431 119.914 -0.259 0.000 2.323 126 V HA -0.251 3.869 4.120 0.000 0.000 0.244 126 V C 2.265 178.202 176.094 -0.261 0.000 1.041 126 V CA 1.697 63.718 62.300 -0.465 0.000 1.025 126 V CB -0.997 30.038 31.823 -1.312 0.000 0.656 126 V HN 0.789 nan 8.190 nan 0.000 0.451 127 W N 0.821 121.998 121.300 -0.205 0.000 2.358 127 W HA -0.199 4.461 4.660 0.000 0.000 0.303 127 W C 2.955 179.552 176.519 0.129 0.000 1.208 127 W CA 1.641 58.924 57.345 -0.104 0.000 1.274 127 W CB -0.459 28.825 29.460 -0.293 0.000 1.138 127 W HN 0.357 nan 8.180 nan 0.000 0.515 128 S N -1.079 114.819 115.700 0.330 0.000 2.428 128 S HA -0.213 4.258 4.470 0.000 0.000 0.230 128 S C 1.647 176.400 174.600 0.256 0.000 1.014 128 S CA 0.755 59.117 58.200 0.270 0.000 0.957 128 S CB -1.053 62.275 63.200 0.215 0.000 0.784 128 S HN 0.486 nan 8.310 nan 0.000 0.499 129 W N 0.832 122.211 121.300 0.131 0.000 2.436 129 W HA -0.025 4.635 4.660 0.000 0.000 0.284 129 W C 1.812 178.508 176.519 0.295 0.000 1.225 129 W CA 0.731 58.161 57.345 0.141 0.000 1.271 129 W CB -0.418 29.096 29.460 0.089 0.000 1.114 129 W HN 0.527 nan 8.180 nan 0.000 0.559 130 W N 1.627 123.119 121.300 0.321 0.000 2.379 130 W HA -0.062 4.598 4.660 0.000 0.000 0.307 130 W C 2.458 179.074 176.519 0.162 0.000 1.200 130 W CA 3.261 60.762 57.345 0.260 0.000 1.297 130 W CB -0.907 28.476 29.460 -0.128 0.000 1.140 130 W HN -0.117 nan 8.180 nan 0.000 0.507 131 G N 0.680 109.551 108.800 0.118 0.000 2.469 131 G HA2 -0.393 3.567 3.960 0.000 0.000 0.219 131 G HA3 -0.393 3.567 3.960 0.000 0.000 0.219 131 G C 1.621 176.370 174.900 -0.252 0.000 1.150 131 G CA 1.308 46.328 45.100 -0.133 0.000 0.763 131 G HN 0.377 nan 8.290 nan 0.000 0.561 132 R N 0.399 120.740 120.500 -0.264 0.000 2.081 132 R HA -0.108 4.233 4.340 0.000 0.000 0.235 132 R C 2.849 178.879 176.300 -0.449 0.000 1.131 132 R CA 2.149 58.010 56.100 -0.399 0.000 0.960 132 R CB -0.633 29.272 30.300 -0.658 0.000 0.856 132 R HN 0.480 nan 8.270 nan 0.000 0.436 133 T N -2.006 112.275 114.554 -0.456 0.000 2.867 133 T HA -0.195 4.155 4.350 0.000 0.000 0.268 133 T C 1.794 176.259 174.700 -0.391 0.000 1.057 133 T CA 1.125 62.995 62.100 -0.383 0.000 1.136 133 T CB -0.586 68.143 68.868 -0.233 0.000 0.874 133 T HN 0.390 nan 8.240 nan 0.000 0.466 134 Y N 1.934 121.870 120.300 -0.607 0.000 2.133 134 Y HA 0.107 4.657 4.550 0.000 0.000 0.287 134 Y C 2.190 177.841 175.900 -0.415 0.000 1.134 134 Y CA 1.190 58.943 58.100 -0.578 0.000 1.133 134 Y CB -0.390 37.624 38.460 -0.744 0.000 0.987 134 Y HN 0.120 nan 8.280 nan 0.000 0.502 135 L N -0.360 120.766 121.223 -0.162 0.000 2.093 135 L HA -0.202 4.138 4.340 0.000 0.000 0.208 135 L C 2.471 179.165 176.870 -0.294 0.000 1.085 135 L CA 0.922 55.664 54.840 -0.164 0.000 0.755 135 L CB -0.451 41.536 42.059 -0.120 0.000 0.904 135 L HN 0.121 nan 8.230 nan 0.000 0.435 136 R N 0.148 120.436 120.500 -0.354 0.000 2.115 136 R HA -0.025 4.316 4.340 0.000 0.000 0.230 136 R C 2.257 178.352 176.300 -0.342 0.000 1.111 136 R CA 1.301 57.169 56.100 -0.388 0.000 0.976 136 R CB -0.854 29.218 30.300 -0.381 0.000 0.870 136 R HN 0.346 nan 8.270 nan 0.000 0.445 137 A N 1.118 123.718 122.820 -0.367 0.000 1.872 137 A HA -0.193 4.127 4.320 0.000 0.000 0.214 137 A C 2.227 179.598 177.584 -0.356 0.000 1.187 137 A CA 1.327 53.148 52.037 -0.359 0.000 0.614 137 A CB -0.508 18.235 19.000 -0.428 0.000 0.826 137 A HN 0.366 nan 8.150 nan 0.000 0.442 138 Q N -0.295 119.250 119.800 -0.426 0.000 2.062 138 Q HA -0.230 4.110 4.340 0.000 0.000 0.209 138 Q C 2.115 177.980 176.000 -0.225 0.000 0.996 138 Q CA 2.220 57.826 55.803 -0.330 0.000 0.859 138 Q CB -0.404 28.165 28.738 -0.282 0.000 0.920 138 Q HN 0.585 nan 8.270 nan 0.000 0.415 139 A N 0.147 122.830 122.820 -0.227 0.000 2.070 139 A HA -0.094 4.227 4.320 0.000 0.000 0.220 139 A C 1.798 179.279 177.584 -0.173 0.000 1.159 139 A CA 1.045 52.968 52.037 -0.191 0.000 0.656 139 A CB -0.309 18.547 19.000 -0.240 0.000 0.800 139 A HN 0.471 nan 8.150 nan 0.000 0.453 140 L N -1.588 119.520 121.223 -0.192 0.000 2.607 140 L HA 0.253 4.594 4.340 0.000 0.000 0.228 140 L C 1.614 178.400 176.870 -0.140 0.000 1.123 140 L CA 0.486 55.230 54.840 -0.158 0.000 0.890 140 L CB 0.067 42.026 42.059 -0.167 0.000 1.103 140 L HN 0.521 nan 8.230 nan 0.000 0.468 141 G N 0.233 108.942 108.800 -0.152 0.000 2.148 141 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 141 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 141 G C 0.297 175.112 174.900 -0.142 0.000 0.981 141 G CA 0.183 45.203 45.100 -0.133 0.000 0.670 141 G HN 0.267 nan 8.290 nan 0.000 0.528 142 M N 0.644 120.139 119.600 -0.174 0.000 2.247 142 M HA 0.510 4.991 4.480 0.000 0.000 0.326 142 M C 1.473 177.661 176.300 -0.186 0.000 1.134 142 M CA 0.159 55.361 55.300 -0.164 0.000 1.136 142 M CB 0.604 33.101 32.600 -0.171 0.000 1.454 142 M HN 0.228 nan 8.290 nan 0.000 0.467 143 G N 0.822 109.560 108.800 -0.104 0.000 2.690 143 G HA2 0.058 4.018 3.960 0.000 0.000 0.239 143 G HA3 0.058 4.018 3.960 0.000 0.000 0.239 143 G C 0.303 175.077 174.900 -0.210 0.000 1.233 143 G CA -0.497 44.569 45.100 -0.057 0.000 0.847 143 G HN 0.630 nan 8.290 nan 0.000 0.588 144 K N -0.091 120.011 120.400 -0.496 0.000 2.500 144 K HA 0.113 4.433 4.320 0.000 0.000 0.206 144 K C 1.428 177.605 176.600 -0.704 0.000 1.034 144 K CA -0.101 55.710 56.287 -0.793 0.000 1.179 144 K CB -0.075 31.697 32.500 -1.215 0.000 0.884 144 K HN 0.613 nan 8.250 nan 0.000 0.493 145 H N -0.062 118.797 119.070 -0.352 0.000 2.387 145 H HA -0.076 4.480 4.556 0.000 0.000 0.299 145 H C 1.705 176.988 175.328 -0.075 0.000 1.099 145 H CA 1.965 57.915 56.048 -0.163 0.000 1.315 145 H CB -0.143 29.550 29.762 -0.115 0.000 1.380 145 H HN 0.071 nan 8.280 nan 0.000 0.513 146 T N 0.204 114.753 114.554 -0.008 0.000 2.674 146 T HA -0.160 4.191 4.350 0.000 0.000 0.265 146 T C 2.406 177.169 174.700 0.105 0.000 1.039 146 T CA 1.364 63.467 62.100 0.006 0.000 1.150 146 T CB -0.556 68.264 68.868 -0.080 0.000 0.864 146 T HN 0.521 nan 8.240 nan 0.000 0.427 147 A N 0.399 123.227 122.820 0.014 0.000 1.933 147 A HA -0.091 4.229 4.320 0.000 0.000 0.218 147 A C 2.211 180.226 177.584 0.718 0.000 1.175 147 A CA 1.184 53.348 52.037 0.212 0.000 0.628 147 A CB -1.161 17.737 19.000 -0.171 0.000 0.814 147 A HN 0.736 nan 8.150 nan 0.000 0.444 148 W N -0.587 120.836 121.300 0.205 0.000 2.358 148 W HA -0.123 4.537 4.660 0.000 0.000 0.303 148 W C 2.754 179.322 176.519 0.082 0.000 1.208 148 W CA 0.551 57.977 57.345 0.135 0.000 1.274 148 W CB 0.001 29.443 29.460 -0.030 0.000 1.138 148 W HN 0.462 nan 8.180 nan 0.000 0.515 149 A N -0.075 122.929 122.820 0.308 0.000 1.897 149 A HA -0.221 4.099 4.320 0.000 0.000 0.215 149 A C 1.673 179.421 177.584 0.274 0.000 1.181 149 A CA 1.144 53.282 52.037 0.168 0.000 0.620 149 A CB -1.223 17.831 19.000 0.089 0.000 0.821 149 A HN 0.313 nan 8.150 nan 0.000 0.443 150 F N 0.362 120.420 119.950 0.179 0.000 2.202 150 F HA -0.140 4.387 4.527 0.000 0.000 0.301 150 F C 1.765 177.657 175.800 0.152 0.000 1.082 150 F CA 1.218 59.327 58.000 0.182 0.000 1.313 150 F CB -0.662 38.509 39.000 0.285 0.000 1.024 150 F HN 0.195 nan 8.300 nan 0.000 0.495 151 L N -0.420 120.948 121.223 0.242 0.000 2.191 151 L HA -0.149 4.191 4.340 0.000 0.000 0.212 151 L C 2.671 179.531 176.870 -0.016 0.000 1.103 151 L CA 1.941 56.746 54.840 -0.058 0.000 0.769 151 L CB -1.095 41.000 42.059 0.059 0.000 0.908 151 L HN 0.239 nan 8.230 nan 0.000 0.438 152 S N -1.248 114.493 115.700 0.069 0.000 2.371 152 S HA -0.079 4.392 4.470 0.000 0.000 0.224 152 S C 2.186 176.887 174.600 0.169 0.000 1.029 152 S CA 0.934 59.191 58.200 0.096 0.000 0.978 152 S CB -0.256 62.968 63.200 0.041 0.000 0.833 152 S HN 0.555 nan 8.310 nan 0.000 0.466 153 A N 1.643 124.550 122.820 0.146 0.000 1.883 153 A HA -0.015 4.305 4.320 0.000 0.000 0.217 153 A C 2.109 179.740 177.584 0.078 0.000 1.186 153 A CA 1.632 53.751 52.037 0.137 0.000 0.624 153 A CB -0.926 18.191 19.000 0.195 0.000 0.822 153 A HN 0.617 nan 8.150 nan 0.000 0.444 154 I N -1.281 119.238 120.570 -0.084 0.000 2.335 154 I HA -0.299 3.872 4.170 0.000 0.000 0.251 154 I C 2.461 178.652 176.117 0.122 0.000 1.129 154 I CA 1.437 62.629 61.300 -0.180 0.000 1.402 154 I CB -0.289 37.264 38.000 -0.744 0.000 1.069 154 I HN 0.768 nan 8.210 nan 0.000 0.424 155 W N 1.525 122.793 121.300 -0.053 0.000 2.333 155 W HA -0.300 4.360 4.660 0.000 0.000 0.316 155 W C 2.312 178.857 176.519 0.043 0.000 1.215 155 W CA 1.261 58.604 57.345 -0.003 0.000 1.278 155 W CB -0.327 29.118 29.460 -0.025 0.000 1.154 155 W HN 0.152 nan 8.180 nan 0.000 0.486 156 L N 1.070 122.246 121.223 -0.079 0.000 2.046 156 L HA -0.157 4.183 4.340 0.000 0.000 0.208 156 L C 2.324 179.139 176.870 -0.091 0.000 1.077 156 L CA 2.765 57.489 54.840 -0.194 0.000 0.747 156 L CB -1.666 40.383 42.059 -0.017 0.000 0.896 156 L HN 0.252 nan 8.230 nan 0.000 0.432 157 W N -0.105 121.100 121.300 -0.159 0.000 2.333 157 W HA -0.271 4.389 4.660 0.000 0.000 0.316 157 W C 2.305 178.766 176.519 -0.097 0.000 1.215 157 W CA 2.101 59.365 57.345 -0.135 0.000 1.278 157 W CB -0.323 29.033 29.460 -0.173 0.000 1.154 157 W HN 0.094 nan 8.180 nan 0.000 0.486 158 M N 0.271 119.692 119.600 -0.298 0.000 2.108 158 M HA -0.199 4.281 4.480 0.000 0.000 0.261 158 M C 1.930 178.102 176.300 -0.212 0.000 1.066 158 M CA 1.566 56.643 55.300 -0.371 0.000 1.107 158 M CB -1.670 30.906 32.600 -0.040 0.000 1.356 158 M HN 0.025 nan 8.290 nan 0.000 0.406 159 V N 0.686 120.400 119.914 -0.334 0.000 2.255 159 V HA -0.281 3.839 4.120 0.000 0.000 0.247 159 V C 2.514 178.503 176.094 -0.176 0.000 1.051 159 V CA 1.622 63.706 62.300 -0.361 0.000 1.018 159 V CB -0.666 30.755 31.823 -0.670 0.000 0.641 159 V HN 0.399 nan 8.190 nan 0.000 0.445 160 L N 0.148 121.265 121.223 -0.177 0.000 2.046 160 L HA -0.068 4.272 4.340 0.000 0.000 0.208 160 L C 2.377 179.213 176.870 -0.057 0.000 1.077 160 L CA 1.871 56.647 54.840 -0.107 0.000 0.747 160 L CB -0.801 41.164 42.059 -0.158 0.000 0.896 160 L HN 0.477 nan 8.230 nan 0.000 0.432 161 G N -2.692 106.048 108.800 -0.099 0.000 2.887 161 G HA2 -0.035 3.926 3.960 0.000 0.000 0.211 161 G HA3 -0.035 3.926 3.960 0.000 0.000 0.211 161 G C 0.916 175.985 174.900 0.283 0.000 1.152 161 G CA 0.058 45.184 45.100 0.044 0.000 0.769 161 G HN 0.278 nan 8.290 nan 0.000 0.541 162 F N -0.442 119.526 119.950 0.031 0.000 1.901 162 F HA 0.337 4.864 4.527 0.000 0.000 0.239 162 F C 2.056 177.925 175.800 0.115 0.000 1.133 162 F CA -0.075 58.025 58.000 0.168 0.000 1.271 162 F CB -0.096 38.952 39.000 0.080 0.000 1.652 162 F HN -0.051 nan 8.300 nan 0.000 0.543 163 I N 1.091 121.786 120.570 0.209 0.000 2.179 163 I HA -0.243 3.927 4.170 0.000 0.000 0.242 163 I C 2.547 178.641 176.117 -0.038 0.000 1.088 163 I CA 1.697 63.036 61.300 0.064 0.000 1.357 163 I CB -0.546 37.511 38.000 0.095 0.000 1.051 163 I HN 0.187 nan 8.210 nan 0.000 0.409 164 R N 0.850 121.339 120.500 -0.018 0.000 2.066 164 R HA -0.117 4.224 4.340 0.000 0.000 0.232 164 R C -0.347 175.944 176.300 -0.015 0.000 1.131 164 R CA 1.574 57.676 56.100 0.003 0.000 0.955 164 R CB -1.110 29.226 30.300 0.061 0.000 0.851 164 R HN 0.204 nan 8.270 nan 0.000 0.432 165 P HA -0.170 nan 4.420 nan 0.000 0.216 165 P C 1.104 178.214 177.300 -0.316 0.000 1.153 165 P CA 1.437 64.486 63.100 -0.085 0.000 0.858 165 P CB -0.022 31.726 31.700 0.081 0.000 0.789 166 I N -1.571 118.765 120.570 -0.389 0.000 2.202 166 I HA -0.205 3.966 4.170 0.000 0.000 0.242 166 I C 2.285 178.235 176.117 -0.279 0.000 1.091 166 I CA 1.235 62.253 61.300 -0.470 0.000 1.368 166 I CB -0.562 37.139 38.000 -0.498 0.000 1.058 166 I HN -0.114 nan 8.210 nan 0.000 0.410 167 L N -0.315 120.805 121.223 -0.173 0.000 2.131 167 L HA -0.210 4.130 4.340 0.000 0.000 0.210 167 L C 2.470 179.279 176.870 -0.102 0.000 1.092 167 L CA 0.999 55.776 54.840 -0.106 0.000 0.759 167 L CB -0.390 41.638 42.059 -0.052 0.000 0.903 167 L HN 0.325 nan 8.230 nan 0.000 0.435 168 M N -1.010 118.527 119.600 -0.104 0.000 2.492 168 M HA 0.076 4.556 4.480 0.000 0.000 0.262 168 M C 1.630 177.853 176.300 -0.129 0.000 1.090 168 M CA 1.161 56.410 55.300 -0.085 0.000 1.110 168 M CB -0.771 31.804 32.600 -0.042 0.000 1.407 168 M HN 0.427 nan 8.290 nan 0.000 0.470 169 G N 1.262 109.941 108.800 -0.201 0.000 2.159 169 G HA2 -0.191 3.769 3.960 0.000 0.000 0.227 169 G HA3 -0.191 3.769 3.960 0.000 0.000 0.227 169 G C 0.128 174.854 174.900 -0.289 0.000 0.986 169 G CA 0.398 45.360 45.100 -0.230 0.000 0.651 169 G HN 0.690 nan 8.290 nan 0.000 0.523 170 S N -2.127 113.376 115.700 -0.329 0.000 2.543 170 S HA 0.493 4.963 4.470 0.000 0.000 0.274 170 S C 0.298 174.714 174.600 -0.306 0.000 1.149 170 S CA -0.120 57.876 58.200 -0.340 0.000 0.866 170 S CB 0.410 63.516 63.200 -0.158 0.000 1.111 170 S HN 0.464 nan 8.310 nan 0.000 0.457 171 W N 1.658 122.875 121.300 -0.138 0.000 2.468 171 W HA -0.029 4.631 4.660 0.000 0.000 0.262 171 W C 2.526 178.855 176.519 -0.316 0.000 1.241 171 W CA 0.638 57.856 57.345 -0.211 0.000 1.232 171 W CB -0.060 29.264 29.460 -0.228 0.000 1.124 171 W HN 0.927 nan 8.180 nan 0.000 0.597 172 S N -0.223 115.466 115.700 -0.017 0.000 2.507 172 S HA -0.126 4.345 4.470 0.000 0.000 0.235 172 S C 1.434 176.048 174.600 0.022 0.000 0.988 172 S CA 0.895 59.062 58.200 -0.055 0.000 0.944 172 S CB -0.192 63.000 63.200 -0.014 0.000 0.762 172 S HN 0.224 nan 8.310 nan 0.000 0.526 173 E N 1.638 121.883 120.200 0.074 0.000 2.299 173 E HA 0.289 4.639 4.350 0.000 0.000 0.193 173 E C 1.184 178.001 176.600 0.362 0.000 0.998 173 E CA 0.537 57.071 56.400 0.223 0.000 0.851 173 E CB -0.314 29.487 29.700 0.167 0.000 0.795 173 E HN 0.716 nan 8.360 nan 0.000 0.492 174 A N 1.119 124.028 122.820 0.148 0.000 2.346 174 A HA 0.251 4.571 4.320 0.000 0.000 0.255 174 A C 0.437 177.886 177.584 -0.224 0.000 1.113 174 A CA -0.369 51.706 52.037 0.063 0.000 0.798 174 A CB 0.471 19.593 19.000 0.204 0.000 1.073 174 A HN -0.039 nan 8.150 nan 0.000 0.502 175 V N 2.328 121.943 119.914 -0.498 0.000 2.546 175 V HA 0.323 4.444 4.120 0.000 0.000 0.284 175 V C -1.887 173.984 176.094 -0.371 0.000 1.050 175 V CA -1.132 60.621 62.300 -0.913 0.000 0.981 175 V CB 0.958 32.259 31.823 -0.869 0.000 0.990 175 V HN 0.844 nan 8.190 nan 0.000 0.474 176 P HA 0.210 nan 4.420 nan 0.000 0.277 176 P C -1.286 175.976 177.300 -0.063 0.000 1.240 176 P CA -0.365 62.695 63.100 -0.067 0.000 0.798 176 P CB 0.445 32.197 31.700 0.086 0.000 0.979 177 Y N 0.805 121.323 120.300 0.363 0.000 2.556 177 Y HA 0.554 5.105 4.550 0.000 0.000 0.352 177 Y C 1.394 177.502 175.900 0.346 0.000 1.006 177 Y CA 0.163 58.417 58.100 0.257 0.000 1.277 177 Y CB 0.428 38.964 38.460 0.127 0.000 1.136 177 Y HN 0.539 nan 8.280 nan 0.000 0.523 178 G N 2.231 111.282 108.800 0.420 0.000 2.596 178 G HA2 0.254 4.214 3.960 0.000 0.000 0.296 178 G HA3 0.254 4.214 3.960 0.000 0.000 0.296 178 G C -0.078 174.988 174.900 0.276 0.000 1.513 178 G CA -0.800 44.558 45.100 0.430 0.000 0.851 178 G HN 0.309 nan 8.290 nan 0.000 0.548 179 I N 1.025 121.685 120.570 0.150 0.000 2.058 179 I HA -0.083 4.087 4.170 0.000 0.000 0.235 179 I C 2.530 178.785 176.117 0.231 0.000 1.053 179 I CA 1.595 62.913 61.300 0.030 0.000 1.313 179 I CB -0.997 36.733 38.000 -0.450 0.000 1.039 179 I HN 0.467 nan 8.210 nan 0.000 0.396 180 F N 1.717 121.651 119.950 -0.026 0.000 2.206 180 F HA -0.108 4.419 4.527 0.000 0.000 0.298 180 F C 2.980 178.801 175.800 0.035 0.000 1.090 180 F CA 1.105 59.060 58.000 -0.075 0.000 1.323 180 F CB -1.602 37.242 39.000 -0.260 0.000 1.028 180 F HN 0.193 nan 8.300 nan 0.000 0.492 181 S N -0.219 115.656 115.700 0.292 0.000 2.399 181 S HA -0.241 4.229 4.470 0.000 0.000 0.231 181 S C 2.111 176.901 174.600 0.316 0.000 1.022 181 S CA 1.378 59.740 58.200 0.271 0.000 0.983 181 S CB -1.231 62.127 63.200 0.264 0.000 0.803 181 S HN 0.634 nan 8.310 nan 0.000 0.480 182 H N 2.601 121.795 119.070 0.205 0.000 2.389 182 H HA 0.073 4.630 4.556 0.000 0.000 0.299 182 H C 1.907 177.389 175.328 0.257 0.000 1.081 182 H CA 1.472 57.640 56.048 0.200 0.000 1.345 182 H CB -0.656 29.182 29.762 0.126 0.000 1.393 182 H HN 0.456 nan 8.280 nan 0.000 0.520 183 L N 0.824 121.994 121.223 -0.088 0.000 2.027 183 L HA -0.143 4.197 4.340 0.000 0.000 0.206 183 L C 2.444 179.337 176.870 0.038 0.000 1.074 183 L CA 1.382 56.159 54.840 -0.105 0.000 0.745 183 L CB -0.436 41.572 42.059 -0.086 0.000 0.898 183 L HN 0.157 nan 8.230 nan 0.000 0.433 184 D N -0.487 119.969 120.400 0.093 0.000 2.123 184 D HA -0.248 4.393 4.640 0.000 0.000 0.196 184 D C 1.766 178.155 176.300 0.150 0.000 0.992 184 D CA 1.247 55.303 54.000 0.093 0.000 0.833 184 D CB -0.373 40.488 40.800 0.101 0.000 0.954 184 D HN 0.425 nan 8.370 nan 0.000 0.455 185 W N 1.784 123.121 121.300 0.062 0.000 2.321 185 W HA -0.254 4.406 4.660 0.000 0.000 0.306 185 W C 2.275 178.860 176.519 0.110 0.000 1.217 185 W CA 2.394 59.797 57.345 0.097 0.000 1.257 185 W CB -0.372 29.159 29.460 0.119 0.000 1.145 185 W HN -0.129 nan 8.180 nan 0.000 0.509 186 T N 0.078 114.841 114.554 0.349 0.000 2.737 186 T HA -0.284 4.066 4.350 0.000 0.000 0.265 186 T C 1.717 176.425 174.700 0.012 0.000 1.038 186 T CA 1.576 63.789 62.100 0.188 0.000 1.144 186 T CB -0.800 68.161 68.868 0.155 0.000 0.866 186 T HN 0.400 nan 8.240 nan 0.000 0.434 187 N N 1.300 119.999 118.700 -0.001 0.000 2.104 187 N HA -0.181 4.559 4.740 0.000 0.000 0.190 187 N C 1.947 177.416 175.510 -0.068 0.000 1.024 187 N CA 1.185 54.208 53.050 -0.045 0.000 0.853 187 N CB -0.257 38.205 38.487 -0.042 0.000 1.008 187 N HN 0.380 nan 8.380 nan 0.000 0.424 188 N N -0.138 118.510 118.700 -0.086 0.000 2.188 188 N HA -0.168 4.572 4.740 0.000 0.000 0.184 188 N C 1.826 177.225 175.510 -0.184 0.000 1.018 188 N CA 0.585 53.555 53.050 -0.135 0.000 0.858 188 N CB -0.277 38.128 38.487 -0.137 0.000 0.989 188 N HN 0.203 nan 8.380 nan 0.000 0.426 189 F N 1.676 121.369 119.950 -0.429 0.000 2.120 189 F HA -0.195 4.332 4.527 0.000 0.000 0.300 189 F C 2.917 178.688 175.800 -0.049 0.000 1.095 189 F CA 1.678 59.461 58.000 -0.361 0.000 1.249 189 F CB -0.746 37.803 39.000 -0.751 0.000 0.995 189 F HN -0.017 nan 8.300 nan 0.000 0.480 190 S N -0.069 115.705 115.700 0.123 0.000 2.348 190 S HA -0.151 4.319 4.470 0.000 0.000 0.221 190 S C 2.055 176.646 174.600 -0.015 0.000 1.033 190 S CA 1.303 59.531 58.200 0.047 0.000 1.010 190 S CB -0.594 62.546 63.200 -0.101 0.000 0.891 190 S HN 0.255 nan 8.310 nan 0.000 0.442 191 L N 1.657 122.836 121.223 -0.073 0.000 2.013 191 L HA -0.029 4.311 4.340 0.000 0.000 0.212 191 L C 2.535 179.329 176.870 -0.127 0.000 1.073 191 L CA 1.447 56.234 54.840 -0.088 0.000 0.753 191 L CB -1.376 40.625 42.059 -0.098 0.000 0.890 191 L HN 0.234 nan 8.230 nan 0.000 0.432 192 V N -1.005 118.775 119.914 -0.224 0.000 2.809 192 V HA -0.194 3.927 4.120 0.000 0.000 0.256 192 V C 1.610 177.380 176.094 -0.539 0.000 1.080 192 V CA 1.077 63.142 62.300 -0.393 0.000 1.102 192 V CB -0.657 30.856 31.823 -0.517 0.000 0.705 192 V HN 0.519 nan 8.190 nan 0.000 0.475 193 H N -0.589 118.369 119.070 -0.188 0.000 2.487 193 H HA 0.328 4.884 4.556 0.000 0.000 0.290 193 H C 1.663 177.044 175.328 0.089 0.000 1.081 193 H CA 0.668 56.658 56.048 -0.097 0.000 1.116 193 H CB 0.330 30.031 29.762 -0.102 0.000 1.560 193 H HN 0.427 nan 8.280 nan 0.000 0.548 194 G N 2.263 111.133 108.800 0.116 0.000 2.176 194 G HA2 -0.328 3.632 3.960 0.000 0.000 0.252 194 G HA3 -0.328 3.632 3.960 0.000 0.000 0.252 194 G C -0.153 174.944 174.900 0.328 0.000 1.024 194 G CA 0.373 45.588 45.100 0.191 0.000 0.755 194 G HN 0.590 nan 8.290 nan 0.000 0.507 195 N N -1.782 117.049 118.700 0.219 0.000 2.709 195 N HA -0.136 4.604 4.740 0.000 0.000 0.271 195 N C 1.022 176.607 175.510 0.125 0.000 1.552 195 N CA 0.790 53.920 53.050 0.133 0.000 1.241 195 N CB -1.171 37.436 38.487 0.200 0.000 0.840 195 N HN 0.433 nan 8.380 nan 0.000 0.480 196 L N 2.504 123.645 121.223 -0.136 0.000 2.187 196 L HA -0.155 4.185 4.340 0.000 0.000 0.213 196 L C 1.658 178.388 176.870 -0.233 0.000 1.100 196 L CA 1.026 55.683 54.840 -0.304 0.000 0.765 196 L CB -0.376 41.288 42.059 -0.659 0.000 0.904 196 L HN 0.472 nan 8.230 nan 0.000 0.437 197 F N -0.940 118.860 119.950 -0.250 0.000 2.411 197 F HA -0.229 4.298 4.527 0.000 0.000 0.299 197 F C 1.720 177.401 175.800 -0.199 0.000 1.077 197 F CA 0.838 58.715 58.000 -0.206 0.000 1.439 197 F CB -0.903 37.904 39.000 -0.321 0.000 1.085 197 F HN 0.127 nan 8.300 nan 0.000 0.564 198 Y N -1.285 119.179 120.300 0.273 0.000 2.458 198 Y HA 0.144 4.695 4.550 0.000 0.000 0.256 198 Y C 0.830 176.836 175.900 0.177 0.000 1.159 198 Y CA -0.733 57.550 58.100 0.306 0.000 1.261 198 Y CB -0.566 38.166 38.460 0.453 0.000 1.119 198 Y HN -0.039 nan 8.280 nan 0.000 0.524 199 N N 2.665 121.306 118.700 -0.098 0.000 2.420 199 N HA 0.072 4.812 4.740 0.000 0.000 0.249 199 N C -1.902 173.384 175.510 -0.374 0.000 1.033 199 N CA -1.675 50.880 53.050 -0.826 0.000 0.944 199 N CB 1.219 38.794 38.487 -1.520 0.000 1.113 199 N HN -0.111 nan 8.380 nan 0.000 0.502 200 P HA -0.132 nan 4.420 nan 0.000 0.218 200 P C 0.711 177.833 177.300 -0.298 0.000 1.149 200 P CA 1.128 64.095 63.100 -0.222 0.000 0.817 200 P CB 0.020 31.593 31.700 -0.211 0.000 0.785 201 F N -0.841 118.985 119.950 -0.205 0.000 2.234 201 F HA -0.129 4.398 4.527 0.000 0.000 0.299 201 F C 2.822 178.584 175.800 -0.063 0.000 1.087 201 F CA 1.146 59.086 58.000 -0.100 0.000 1.340 201 F CB -1.256 37.685 39.000 -0.098 0.000 1.031 201 F HN 0.110 nan 8.300 nan 0.000 0.500 202 H N -0.127 118.912 119.070 -0.052 0.000 2.357 202 H HA -0.074 4.482 4.556 0.000 0.000 0.301 202 H C 2.391 177.704 175.328 -0.026 0.000 1.082 202 H CA 1.479 57.505 56.048 -0.037 0.000 1.342 202 H CB -0.402 29.312 29.762 -0.080 0.000 1.389 202 H HN 0.326 nan 8.280 nan 0.000 0.511 203 G N 1.030 109.817 108.800 -0.022 0.000 2.408 203 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 203 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 203 G C 1.729 176.523 174.900 -0.178 0.000 1.150 203 G CA 0.361 45.397 45.100 -0.107 0.000 0.776 203 G HN 0.257 nan 8.290 nan 0.000 0.542 204 L N 0.965 122.119 121.223 -0.115 0.000 2.027 204 L HA 0.066 4.406 4.340 0.000 0.000 0.206 204 L C 3.015 179.888 176.870 0.004 0.000 1.074 204 L CA 1.759 56.544 54.840 -0.093 0.000 0.745 204 L CB -1.040 41.066 42.059 0.078 0.000 0.898 204 L HN 0.270 nan 8.230 nan 0.000 0.433 205 S N -0.707 115.040 115.700 0.079 0.000 2.370 205 S HA -0.166 4.304 4.470 0.000 0.000 0.226 205 S C 2.075 176.631 174.600 -0.073 0.000 1.033 205 S CA 1.323 59.586 58.200 0.105 0.000 1.011 205 S CB -0.181 63.035 63.200 0.026 0.000 0.852 205 S HN 0.354 nan 8.310 nan 0.000 0.457 206 I N 1.388 121.779 120.570 -0.297 0.000 2.202 206 I HA -0.163 4.007 4.170 0.000 0.000 0.242 206 I C 2.719 178.496 176.117 -0.567 0.000 1.091 206 I CA 1.051 62.042 61.300 -0.514 0.000 1.368 206 I CB -0.533 37.087 38.000 -0.633 0.000 1.058 206 I HN 0.343 nan 8.210 nan 0.000 0.410 207 A N 0.942 123.493 122.820 -0.448 0.000 1.903 207 A HA -0.257 4.063 4.320 0.000 0.000 0.219 207 A C 2.071 179.464 177.584 -0.318 0.000 1.191 207 A CA 1.974 53.766 52.037 -0.410 0.000 0.638 207 A CB -1.114 17.564 19.000 -0.538 0.000 0.823 207 A HN 0.367 nan 8.150 nan 0.000 0.451 208 F N -1.006 118.931 119.950 -0.022 0.000 2.186 208 F HA -0.044 4.483 4.527 0.000 0.000 0.299 208 F C 2.026 177.864 175.800 0.062 0.000 1.090 208 F CA 1.086 59.114 58.000 0.046 0.000 1.307 208 F CB -0.785 38.258 39.000 0.070 0.000 1.019 208 F HN 0.243 nan 8.300 nan 0.000 0.489 209 L N -0.917 120.404 121.223 0.164 0.000 2.017 209 L HA -0.223 4.117 4.340 0.000 0.000 0.208 209 L C 2.260 179.280 176.870 0.250 0.000 1.073 209 L CA 1.842 56.777 54.840 0.160 0.000 0.745 209 L CB -1.012 41.093 42.059 0.076 0.000 0.894 209 L HN 0.045 nan 8.230 nan 0.000 0.432 210 Y N 0.140 120.478 120.300 0.063 0.000 2.181 210 Y HA -0.045 4.505 4.550 0.000 0.000 0.288 210 Y C 2.582 178.518 175.900 0.060 0.000 1.146 210 Y CA 0.749 58.876 58.100 0.045 0.000 1.164 210 Y CB -1.642 36.822 38.460 0.006 0.000 0.982 210 Y HN 0.266 nan 8.280 nan 0.000 0.515 211 G N -1.064 107.875 108.800 0.231 0.000 2.422 211 G HA2 -0.217 3.744 3.960 0.000 0.000 0.218 211 G HA3 -0.217 3.744 3.960 0.000 0.000 0.218 211 G C 1.925 176.933 174.900 0.180 0.000 1.146 211 G CA 1.205 46.410 45.100 0.174 0.000 0.769 211 G HN 0.392 nan 8.290 nan 0.000 0.547 212 S N 0.907 116.734 115.700 0.212 0.000 2.383 212 S HA 0.038 4.508 4.470 0.000 0.000 0.227 212 S C 2.724 177.449 174.600 0.207 0.000 1.026 212 S CA 1.110 59.427 58.200 0.195 0.000 0.981 212 S CB -0.232 63.088 63.200 0.201 0.000 0.818 212 S HN 0.581 nan 8.310 nan 0.000 0.472 213 A N 1.491 124.428 122.820 0.195 0.000 1.897 213 A HA 0.066 4.386 4.320 0.000 0.000 0.215 213 A C 2.068 179.737 177.584 0.141 0.000 1.181 213 A CA 1.023 53.163 52.037 0.172 0.000 0.620 213 A CB -0.741 18.338 19.000 0.132 0.000 0.821 213 A HN 0.396 nan 8.150 nan 0.000 0.443 214 L N -0.515 120.774 121.223 0.111 0.000 1.997 214 L HA -0.191 4.149 4.340 0.000 0.000 0.216 214 L C 2.223 179.125 176.870 0.054 0.000 1.074 214 L CA 2.305 57.187 54.840 0.069 0.000 0.763 214 L CB -0.774 41.313 42.059 0.048 0.000 0.890 214 L HN 0.325 nan 8.230 nan 0.000 0.434 215 L N -1.680 119.577 121.223 0.056 0.000 2.027 215 L HA -0.158 4.182 4.340 0.000 0.000 0.206 215 L C 2.277 179.211 176.870 0.107 0.000 1.074 215 L CA 1.679 56.518 54.840 -0.002 0.000 0.745 215 L CB -0.971 41.076 42.059 -0.021 0.000 0.898 215 L HN 0.290 nan 8.230 nan 0.000 0.433 216 F N 0.035 120.011 119.950 0.044 0.000 2.234 216 F HA -0.026 4.502 4.527 0.000 0.000 0.299 216 F C 2.389 178.220 175.800 0.051 0.000 1.087 216 F CA 0.649 58.692 58.000 0.073 0.000 1.340 216 F CB -0.986 38.062 39.000 0.080 0.000 1.031 216 F HN 0.180 nan 8.300 nan 0.000 0.500 217 A N -0.027 122.936 122.820 0.238 0.000 1.877 217 A HA -0.235 4.085 4.320 0.000 0.000 0.216 217 A C 2.336 179.999 177.584 0.131 0.000 1.186 217 A CA 1.913 54.025 52.037 0.125 0.000 0.620 217 A CB -0.733 18.319 19.000 0.086 0.000 0.822 217 A HN 0.370 nan 8.150 nan 0.000 0.443 218 M N -1.915 117.758 119.600 0.122 0.000 2.065 218 M HA -0.189 4.291 4.480 0.000 0.000 0.259 218 M C 2.329 178.726 176.300 0.162 0.000 1.069 218 M CA 2.210 57.582 55.300 0.120 0.000 1.110 218 M CB -0.562 31.935 32.600 -0.171 0.000 1.328 218 M HN 0.708 nan 8.290 nan 0.000 0.405 219 H N -0.102 118.989 119.070 0.035 0.000 2.270 219 H HA -0.046 4.510 4.556 0.000 0.000 0.299 219 H C 1.969 177.373 175.328 0.126 0.000 1.077 219 H CA 2.206 58.276 56.048 0.038 0.000 1.294 219 H CB -0.819 28.915 29.762 -0.047 0.000 1.371 219 H HN 0.318 nan 8.280 nan 0.000 0.491 220 G N 0.084 108.965 108.800 0.135 0.000 2.476 220 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 220 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 220 G C 1.925 176.773 174.900 -0.086 0.000 1.164 220 G CA 1.527 46.615 45.100 -0.020 0.000 0.768 220 G HN 0.652 nan 8.290 nan 0.000 0.560 221 A N -0.213 122.589 122.820 -0.029 0.000 1.930 221 A HA 0.040 4.360 4.320 0.000 0.000 0.217 221 A C 2.531 180.059 177.584 -0.093 0.000 1.175 221 A CA 2.379 54.378 52.037 -0.064 0.000 0.627 221 A CB -0.800 18.180 19.000 -0.033 0.000 0.815 221 A HN 0.316 nan 8.150 nan 0.000 0.443 222 T N 0.591 115.126 114.554 -0.032 0.000 2.674 222 T HA -0.101 4.249 4.350 0.000 0.000 0.265 222 T C 1.818 176.481 174.700 -0.062 0.000 1.039 222 T CA 1.449 63.534 62.100 -0.025 0.000 1.150 222 T CB -0.294 68.688 68.868 0.191 0.000 0.864 222 T HN 0.293 nan 8.240 nan 0.000 0.427 223 I N 1.360 121.861 120.570 -0.116 0.000 2.163 223 I HA -0.123 4.047 4.170 0.000 0.000 0.243 223 I C 2.379 178.437 176.117 -0.099 0.000 1.085 223 I CA 1.381 62.612 61.300 -0.114 0.000 1.347 223 I CB -1.394 36.478 38.000 -0.213 0.000 1.044 223 I HN 0.280 nan 8.210 nan 0.000 0.408 224 L N 0.526 121.670 121.223 -0.132 0.000 2.046 224 L HA -0.166 4.174 4.340 0.000 0.000 0.208 224 L C 2.751 179.538 176.870 -0.138 0.000 1.077 224 L CA 1.339 56.091 54.840 -0.146 0.000 0.747 224 L CB -0.755 41.200 42.059 -0.174 0.000 0.896 224 L HN 0.188 nan 8.230 nan 0.000 0.432 225 A N -0.019 122.723 122.820 -0.130 0.000 2.019 225 A HA -0.118 4.202 4.320 0.000 0.000 0.219 225 A C 1.917 179.466 177.584 -0.058 0.000 1.164 225 A CA 1.756 53.720 52.037 -0.122 0.000 0.644 225 A CB -0.587 18.308 19.000 -0.174 0.000 0.805 225 A HN 0.374 nan 8.150 nan 0.000 0.449 226 V N -2.019 117.893 119.914 -0.004 0.000 3.271 226 V HA 0.152 4.273 4.120 0.000 0.000 0.327 226 V C 1.507 177.628 176.094 0.046 0.000 1.389 226 V CA 0.874 63.257 62.300 0.139 0.000 1.156 226 V CB -0.668 31.299 31.823 0.240 0.000 1.103 226 V HN 0.538 nan 8.190 nan 0.000 0.453 227 S N 2.126 117.785 115.700 -0.069 0.000 2.481 227 S HA -0.181 4.289 4.470 0.000 0.000 0.231 227 S C 1.914 176.432 174.600 -0.137 0.000 0.996 227 S CA 1.039 59.194 58.200 -0.076 0.000 0.942 227 S CB -0.673 62.474 63.200 -0.089 0.000 0.768 227 S HN 0.871 nan 8.310 nan 0.000 0.520 228 R N 0.307 120.626 120.500 -0.302 0.000 2.339 228 R HA 0.109 4.450 4.340 0.000 0.000 0.199 228 R C 0.080 176.007 176.300 -0.623 0.000 1.018 228 R CA 0.797 56.617 56.100 -0.468 0.000 1.036 228 R CB -0.668 29.260 30.300 -0.621 0.000 0.899 228 R HN 0.567 nan 8.270 nan 0.000 0.473 229 F N -0.233 119.716 119.950 -0.002 0.000 2.791 229 F HA 0.453 4.981 4.527 0.000 0.000 0.316 229 F C 1.060 176.861 175.800 0.002 0.000 1.134 229 F CA -0.257 57.744 58.000 0.001 0.000 1.222 229 F CB 1.506 40.505 39.000 -0.002 0.000 1.034 229 F HN 0.154 nan 8.300 nan 0.000 0.516 230 G N 0.567 109.422 108.800 0.092 0.000 2.148 230 G HA2 -0.300 3.660 3.960 0.000 0.000 0.254 230 G HA3 -0.300 3.660 3.960 0.000 0.000 0.254 230 G C 1.448 176.393 174.900 0.075 0.000 0.981 230 G CA 0.192 45.334 45.100 0.070 0.000 0.670 230 G HN 0.684 nan 8.290 nan 0.000 0.528 231 G N 1.285 110.141 108.800 0.094 0.000 2.545 231 G HA2 -0.248 3.712 3.960 0.000 0.000 0.222 231 G HA3 -0.248 3.712 3.960 0.000 0.000 0.222 231 G C 1.494 176.428 174.900 0.058 0.000 1.126 231 G CA 1.808 46.958 45.100 0.085 0.000 0.754 231 G HN 0.978 nan 8.290 nan 0.000 0.583 232 E N 0.860 121.077 120.200 0.028 0.000 2.427 232 E HA -0.039 4.311 4.350 0.000 0.000 0.196 232 E C 1.137 177.753 176.600 0.027 0.000 1.028 232 E CA -0.063 56.349 56.400 0.020 0.000 0.864 232 E CB -0.223 29.469 29.700 -0.014 0.000 0.813 232 E HN 0.331 nan 8.360 nan 0.000 0.514 233 R N 1.797 122.314 120.500 0.028 0.000 4.154 233 R HA 0.101 4.441 4.340 0.000 0.000 0.186 233 R C 0.894 177.210 176.300 0.027 0.000 1.750 233 R CA 0.036 56.148 56.100 0.020 0.000 1.431 233 R CB -0.039 30.272 30.300 0.019 0.000 1.383 233 R HN 0.278 nan 8.270 nan 0.000 0.788 234 E N 0.742 120.958 120.200 0.027 0.000 2.106 234 E HA -0.187 4.163 4.350 0.000 0.000 0.192 234 E C 1.386 177.990 176.600 0.005 0.000 0.984 234 E CA 0.980 57.408 56.400 0.046 0.000 0.806 234 E CB 0.070 29.808 29.700 0.063 0.000 0.750 234 E HN 0.484 nan 8.360 nan 0.000 0.458 235 L N 0.671 121.875 121.223 -0.031 0.000 2.046 235 L HA -0.185 4.155 4.340 0.000 0.000 0.208 235 L C 2.499 179.358 176.870 -0.017 0.000 1.077 235 L CA 1.095 55.910 54.840 -0.041 0.000 0.747 235 L CB -0.132 41.892 42.059 -0.058 0.000 0.896 235 L HN 0.083 nan 8.230 nan 0.000 0.432 236 E N -0.554 119.642 120.200 -0.006 0.000 2.285 236 E HA -0.157 4.194 4.350 0.000 0.000 0.194 236 E C 2.182 178.790 176.600 0.014 0.000 0.997 236 E CA 0.627 57.028 56.400 0.002 0.000 0.845 236 E CB 0.163 29.865 29.700 0.005 0.000 0.782 236 E HN 0.309 nan 8.360 nan 0.000 0.491 237 Q N -0.212 119.603 119.800 0.025 0.000 2.230 237 Q HA -0.053 4.287 4.340 0.000 0.000 0.202 237 Q C 2.156 178.177 176.000 0.034 0.000 0.963 237 Q CA 0.809 56.633 55.803 0.036 0.000 0.866 237 Q CB 0.103 28.875 28.738 0.056 0.000 0.931 237 Q HN 0.446 nan 8.270 nan 0.000 0.452 238 I N 0.369 120.956 120.570 0.028 0.000 2.252 238 I HA -0.212 3.958 4.170 0.000 0.000 0.245 238 I C 2.208 178.334 176.117 0.015 0.000 1.102 238 I CA 1.071 62.386 61.300 0.024 0.000 1.385 238 I CB -0.248 37.759 38.000 0.010 0.000 1.064 238 I HN 0.037 nan 8.210 nan 0.000 0.414 239 A N -0.904 121.921 122.820 0.007 0.000 2.067 239 A HA -0.112 4.209 4.320 0.000 0.000 0.217 239 A C 0.650 178.238 177.584 0.007 0.000 1.156 239 A CA 1.206 53.245 52.037 0.003 0.000 0.683 239 A CB -0.026 18.972 19.000 -0.003 0.000 0.808 239 A HN 0.419 nan 8.150 nan 0.000 0.455 240 D N -1.227 119.180 120.400 0.011 0.000 2.826 240 D HA 0.082 4.722 4.640 0.000 0.000 0.239 240 D C -0.403 175.906 176.300 0.014 0.000 1.329 240 D CA -0.417 53.590 54.000 0.011 0.000 0.854 240 D CB -0.166 40.639 40.800 0.009 0.000 1.494 240 D HN 0.239 nan 8.370 nan 0.000 0.540 241 R N 0.989 121.498 120.500 0.015 0.000 2.481 241 R HA 0.301 4.641 4.340 0.000 0.000 0.291 241 R C 0.364 176.668 176.300 0.007 0.000 0.934 241 R CA 0.930 57.039 56.100 0.015 0.000 1.116 241 R CB 0.228 30.536 30.300 0.013 0.000 0.895 241 R HN 0.374 nan 8.270 nan 0.000 0.410 242 G N 0.766 109.569 108.800 0.006 0.000 2.820 242 G HA2 0.097 4.057 3.960 0.000 0.000 0.291 242 G HA3 0.097 4.057 3.960 0.000 0.000 0.291 242 G C 0.446 175.319 174.900 -0.046 0.000 1.323 242 G CA -0.234 44.862 45.100 -0.006 0.000 1.055 242 G HN 0.576 nan 8.290 nan 0.000 0.520 243 T N -0.507 113.992 114.554 -0.092 0.000 2.929 243 T HA -0.032 4.318 4.350 0.000 0.000 0.271 243 T C 2.522 177.047 174.700 -0.291 0.000 1.085 243 T CA 2.279 64.247 62.100 -0.221 0.000 1.125 243 T CB -0.539 68.132 68.868 -0.330 0.000 0.874 243 T HN 0.655 nan 8.240 nan 0.000 0.494 244 A N 1.242 123.988 122.820 -0.124 0.000 1.851 244 A HA 0.137 4.458 4.320 0.000 0.000 0.216 244 A C 2.744 180.330 177.584 0.004 0.000 1.195 244 A CA 2.117 54.171 52.037 0.028 0.000 0.622 244 A CB -1.452 17.646 19.000 0.164 0.000 0.831 244 A HN 0.654 nan 8.150 nan 0.000 0.444 245 A N -0.633 122.194 122.820 0.012 0.000 1.972 245 A HA -0.137 4.184 4.320 0.000 0.000 0.219 245 A C 1.913 179.491 177.584 -0.009 0.000 1.169 245 A CA 1.645 53.698 52.037 0.028 0.000 0.635 245 A CB -0.459 18.564 19.000 0.038 0.000 0.810 245 A HN 0.678 nan 8.150 nan 0.000 0.446 246 E N -0.560 119.604 120.200 -0.061 0.000 2.076 246 E HA -0.111 4.240 4.350 0.000 0.000 0.190 246 E C 2.313 178.824 176.600 -0.148 0.000 0.979 246 E CA 0.761 57.105 56.400 -0.093 0.000 0.807 246 E CB -0.113 29.526 29.700 -0.103 0.000 0.761 246 E HN 0.558 nan 8.360 nan 0.000 0.454 247 R N 0.860 121.252 120.500 -0.181 0.000 2.075 247 R HA -0.051 4.289 4.340 0.000 0.000 0.232 247 R C 2.430 178.658 176.300 -0.121 0.000 1.126 247 R CA 0.970 56.947 56.100 -0.205 0.000 0.963 247 R CB -0.374 29.788 30.300 -0.230 0.000 0.858 247 R HN 0.075 nan 8.270 nan 0.000 0.435 248 A N 1.853 124.655 122.820 -0.029 0.000 1.859 248 A HA -0.261 4.059 4.320 0.000 0.000 0.218 248 A C 2.462 180.119 177.584 0.122 0.000 1.209 248 A CA 2.201 54.280 52.037 0.070 0.000 0.639 248 A CB -1.106 17.963 19.000 0.115 0.000 0.835 248 A HN 0.419 nan 8.150 nan 0.000 0.450 249 A N -0.803 122.051 122.820 0.058 0.000 1.908 249 A HA -0.091 4.229 4.320 0.000 0.000 0.218 249 A C 2.209 179.752 177.584 -0.068 0.000 1.181 249 A CA 1.719 53.787 52.037 0.050 0.000 0.627 249 A CB -0.625 18.382 19.000 0.012 0.000 0.818 249 A HN 0.512 nan 8.150 nan 0.000 0.445 250 L N -2.270 118.791 121.223 -0.270 0.000 2.156 250 L HA -0.079 4.262 4.340 0.000 0.000 0.208 250 L C 2.401 178.778 176.870 -0.821 0.000 1.095 250 L CA 1.029 55.462 54.840 -0.678 0.000 0.770 250 L CB -0.454 41.031 42.059 -0.956 0.000 0.914 250 L HN 0.522 nan 8.230 nan 0.000 0.439 251 F N 0.151 119.739 119.950 -0.604 0.000 2.091 251 F HA -0.272 4.255 4.527 0.000 0.000 0.299 251 F C 1.961 177.434 175.800 -0.546 0.000 1.103 251 F CA 1.782 59.428 58.000 -0.590 0.000 1.228 251 F CB -0.373 38.219 39.000 -0.680 0.000 0.984 251 F HN -0.013 nan 8.300 nan 0.000 0.477 252 W N 0.275 121.541 121.300 -0.057 0.000 2.418 252 W HA 0.002 4.662 4.660 0.000 0.000 0.292 252 W C 2.765 179.162 176.519 -0.203 0.000 1.213 252 W CA 1.061 58.329 57.345 -0.127 0.000 1.283 252 W CB -0.469 28.922 29.460 -0.115 0.000 1.119 252 W HN -0.104 nan 8.180 nan 0.000 0.542 253 R N -0.188 120.310 120.500 -0.003 0.000 2.073 253 R HA -0.180 4.160 4.340 0.000 0.000 0.234 253 R C 1.946 178.346 176.300 0.167 0.000 1.134 253 R CA 2.125 58.263 56.100 0.064 0.000 0.952 253 R CB -0.731 29.593 30.300 0.039 0.000 0.850 253 R HN 0.087 nan 8.270 nan 0.000 0.433 254 W N 0.392 121.610 121.300 -0.137 0.000 2.374 254 W HA -0.019 4.641 4.660 0.000 0.000 0.288 254 W C 2.139 178.518 176.519 -0.234 0.000 1.218 254 W CA 1.074 58.308 57.345 -0.184 0.000 1.245 254 W CB -1.144 28.178 29.460 -0.230 0.000 1.126 254 W HN 0.149 nan 8.180 nan 0.000 0.545 255 T N 0.682 115.149 114.554 -0.146 0.000 2.770 255 T HA -0.099 4.251 4.350 0.000 0.000 0.258 255 T C 1.672 176.375 174.700 0.005 0.000 1.039 255 T CA 1.967 63.946 62.100 -0.203 0.000 1.143 255 T CB -0.227 68.326 68.868 -0.525 0.000 0.866 255 T HN 0.197 nan 8.240 nan 0.000 0.428 256 M N -1.061 118.591 119.600 0.087 0.000 2.289 256 M HA 0.606 5.086 4.480 0.000 0.000 0.335 256 M C 1.221 177.667 176.300 0.244 0.000 0.961 256 M CA 0.136 55.534 55.300 0.163 0.000 1.018 256 M CB 1.051 33.763 32.600 0.187 0.000 1.678 256 M HN 0.243 nan 8.290 nan 0.000 0.589 257 G N 2.092 111.016 108.800 0.207 0.000 2.157 257 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 257 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 257 G C -0.253 174.876 174.900 0.382 0.000 0.979 257 G CA 0.535 45.789 45.100 0.257 0.000 0.650 257 G HN 0.823 nan 8.290 nan 0.000 0.529 258 F N -0.666 119.342 119.950 0.097 0.000 2.745 258 F HA 0.796 5.323 4.527 0.000 0.000 0.316 258 F C -0.717 175.142 175.800 0.099 0.000 1.155 258 F CA -1.379 56.673 58.000 0.087 0.000 0.937 258 F CB 0.726 39.767 39.000 0.069 0.000 1.361 258 F HN 0.399 nan 8.300 nan 0.000 0.472 259 N N 0.832 119.537 118.700 0.009 0.000 3.277 259 N HA 0.720 5.460 4.740 0.000 0.000 0.278 259 N C -1.881 173.649 175.510 0.033 0.000 1.544 259 N CA -0.707 52.293 53.050 -0.084 0.000 0.869 259 N CB 1.814 40.325 38.487 0.040 0.000 1.584 259 N HN 1.090 nan 8.380 nan 0.000 0.564 260 A N -0.109 122.720 122.820 0.015 0.000 2.373 260 A HA 0.812 5.132 4.320 0.000 0.000 0.291 260 A C 0.061 177.706 177.584 0.103 0.000 1.171 260 A CA -0.244 51.855 52.037 0.105 0.000 0.922 260 A CB 0.745 19.764 19.000 0.031 0.000 1.400 260 A HN 0.834 nan 8.150 nan 0.000 0.474 261 T N -3.111 111.513 114.554 0.116 0.000 2.937 261 T HA 0.433 4.783 4.350 0.000 0.000 0.283 261 T C 0.948 175.707 174.700 0.098 0.000 1.012 261 T CA -0.110 62.046 62.100 0.094 0.000 0.997 261 T CB 0.838 69.759 68.868 0.088 0.000 1.136 261 T HN 0.460 nan 8.240 nan 0.000 0.551 262 M N 0.309 119.973 119.600 0.106 0.000 2.149 262 M HA -0.017 4.463 4.480 0.000 0.000 0.261 262 M C 2.107 178.528 176.300 0.201 0.000 1.064 262 M CA 1.739 57.129 55.300 0.150 0.000 1.102 262 M CB -0.870 31.806 32.600 0.126 0.000 1.369 262 M HN 0.898 nan 8.290 nan 0.000 0.408 263 E N -1.515 118.767 120.200 0.137 0.000 2.086 263 E HA -0.056 4.294 4.350 0.000 0.000 0.190 263 E C 1.938 178.621 176.600 0.138 0.000 0.975 263 E CA 0.966 57.445 56.400 0.131 0.000 0.813 263 E CB -0.384 29.352 29.700 0.060 0.000 0.768 263 E HN 0.594 nan 8.360 nan 0.000 0.457 264 G N 1.499 110.364 108.800 0.109 0.000 2.422 264 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 264 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 264 G C 1.518 176.510 174.900 0.153 0.000 1.140 264 G CA 0.556 45.719 45.100 0.106 0.000 0.775 264 G HN 0.283 nan 8.290 nan 0.000 0.545 265 I N 1.251 121.871 120.570 0.083 0.000 2.236 265 I HA -0.218 3.952 4.170 0.000 0.000 0.249 265 I C 2.321 178.282 176.117 -0.259 0.000 1.102 265 I CA 1.257 62.496 61.300 -0.102 0.000 1.365 265 I CB -0.592 37.176 38.000 -0.387 0.000 1.051 265 I HN 0.327 nan 8.210 nan 0.000 0.420 266 H N -0.610 118.397 119.070 -0.105 0.000 2.524 266 H HA 0.048 4.604 4.556 0.000 0.000 0.282 266 H C 2.269 177.575 175.328 -0.038 0.000 1.016 266 H CA 0.996 56.967 56.048 -0.128 0.000 1.270 266 H CB -0.059 29.628 29.762 -0.125 0.000 1.394 266 H HN 0.314 nan 8.280 nan 0.000 0.568 267 R N -0.700 119.856 120.500 0.094 0.000 2.080 267 R HA -0.084 4.256 4.340 0.000 0.000 0.222 267 R C 1.524 177.931 176.300 0.179 0.000 1.107 267 R CA 0.989 57.163 56.100 0.123 0.000 0.980 267 R CB -0.245 30.093 30.300 0.064 0.000 0.879 267 R HN 0.365 nan 8.270 nan 0.000 0.439 268 W N 1.331 122.672 121.300 0.067 0.000 2.318 268 W HA -0.229 4.431 4.660 0.000 0.000 0.313 268 W C 2.579 179.110 176.519 0.020 0.000 1.221 268 W CA 1.360 58.734 57.345 0.049 0.000 1.266 268 W CB -0.369 29.062 29.460 -0.047 0.000 1.150 268 W HN 0.189 nan 8.180 nan 0.000 0.496 269 A N 0.232 123.134 122.820 0.136 0.000 1.851 269 A HA -0.253 4.067 4.320 0.000 0.000 0.216 269 A C 1.930 179.518 177.584 0.007 0.000 1.195 269 A CA 1.929 53.946 52.037 -0.033 0.000 0.622 269 A CB -1.174 17.682 19.000 -0.240 0.000 0.831 269 A HN 0.364 nan 8.150 nan 0.000 0.444 270 I N -2.251 118.317 120.570 -0.003 0.000 2.286 270 I HA -0.268 3.902 4.170 0.000 0.000 0.248 270 I C 2.261 178.300 176.117 -0.130 0.000 1.115 270 I CA 1.491 62.736 61.300 -0.092 0.000 1.392 270 I CB -0.088 37.821 38.000 -0.152 0.000 1.065 270 I HN 0.620 nan 8.210 nan 0.000 0.418 271 W N -0.316 120.984 121.300 -0.000 0.000 2.453 271 W HA -0.144 4.517 4.660 0.000 0.000 0.289 271 W C 2.413 178.897 176.519 -0.059 0.000 1.215 271 W CA 0.623 57.943 57.345 -0.042 0.000 1.297 271 W CB -0.325 29.093 29.460 -0.070 0.000 1.113 271 W HN 0.116 nan 8.180 nan 0.000 0.551 272 M N 1.178 120.940 119.600 0.269 0.000 2.082 272 M HA -0.198 4.282 4.480 0.000 0.000 0.258 272 M C 2.068 178.455 176.300 0.145 0.000 1.069 272 M CA 2.509 57.964 55.300 0.259 0.000 1.102 272 M CB -0.921 31.844 32.600 0.275 0.000 1.336 272 M HN -0.029 nan 8.290 nan 0.000 0.404 273 A N -0.826 122.048 122.820 0.090 0.000 1.855 273 A HA -0.077 4.243 4.320 0.000 0.000 0.215 273 A C 2.152 179.751 177.584 0.024 0.000 1.191 273 A CA 2.169 54.246 52.037 0.067 0.000 0.613 273 A CB -1.627 17.399 19.000 0.044 0.000 0.829 273 A HN 0.710 nan 8.150 nan 0.000 0.442 274 V N -1.844 118.046 119.914 -0.040 0.000 2.913 274 V HA -0.068 4.053 4.120 0.000 0.000 0.260 274 V C 2.016 178.081 176.094 -0.048 0.000 1.098 274 V CA 1.807 64.073 62.300 -0.057 0.000 1.121 274 V CB -0.746 30.972 31.823 -0.175 0.000 0.714 274 V HN 0.419 nan 8.190 nan 0.000 0.487 275 L N -0.500 120.640 121.223 -0.138 0.000 2.313 275 L HA -0.002 4.338 4.340 0.000 0.000 0.214 275 L C 2.593 179.374 176.870 -0.149 0.000 1.119 275 L CA 0.716 55.366 54.840 -0.316 0.000 0.809 275 L CB -0.353 41.095 42.059 -1.018 0.000 0.933 275 L HN 0.231 nan 8.230 nan 0.000 0.449 276 V N 0.359 120.285 119.914 0.019 0.000 2.220 276 V HA -0.384 3.736 4.120 0.000 0.000 0.250 276 V C 2.643 178.825 176.094 0.147 0.000 1.056 276 V CA 2.779 65.177 62.300 0.163 0.000 1.016 276 V CB -1.072 30.841 31.823 0.151 0.000 0.639 276 V HN 0.679 nan 8.190 nan 0.000 0.446 277 T N -2.483 112.152 114.554 0.135 0.000 3.067 277 T HA 0.065 4.415 4.350 0.000 0.000 0.261 277 T C 1.782 176.657 174.700 0.292 0.000 1.110 277 T CA 0.812 63.018 62.100 0.177 0.000 1.113 277 T CB -0.210 68.758 68.868 0.167 0.000 0.917 277 T HN 0.315 nan 8.240 nan 0.000 0.499 278 L N 1.838 123.199 121.223 0.230 0.000 2.023 278 L HA -0.040 4.300 4.340 0.000 0.000 0.205 278 L C 3.336 180.386 176.870 0.299 0.000 1.073 278 L CA 1.813 56.802 54.840 0.247 0.000 0.745 278 L CB -0.988 41.096 42.059 0.042 0.000 0.900 278 L HN 0.460 nan 8.230 nan 0.000 0.435 279 T N -2.917 111.788 114.554 0.251 0.000 2.746 279 T HA -0.112 4.238 4.350 0.000 0.000 0.267 279 T C 1.964 176.829 174.700 0.274 0.000 1.039 279 T CA 0.970 63.285 62.100 0.358 0.000 1.142 279 T CB -1.194 67.957 68.868 0.472 0.000 0.866 279 T HN 0.379 nan 8.240 nan 0.000 0.444 280 G N 1.713 110.643 108.800 0.217 0.000 2.553 280 G HA2 -0.076 3.884 3.960 0.000 0.000 0.218 280 G HA3 -0.076 3.884 3.960 0.000 0.000 0.218 280 G C 1.797 176.732 174.900 0.057 0.000 1.195 280 G CA 0.924 46.102 45.100 0.130 0.000 0.779 280 G HN 0.701 nan 8.290 nan 0.000 0.577 281 G N 0.604 109.433 108.800 0.048 0.000 2.450 281 G HA2 -0.143 3.817 3.960 0.000 0.000 0.220 281 G HA3 -0.143 3.817 3.960 0.000 0.000 0.220 281 G C 1.792 176.613 174.900 -0.131 0.000 1.130 281 G CA 0.870 45.798 45.100 -0.286 0.000 0.760 281 G HN 0.476 nan 8.290 nan 0.000 0.557 282 I N 1.069 121.723 120.570 0.140 0.000 2.202 282 I HA -0.034 4.136 4.170 0.000 0.000 0.242 282 I C 3.104 179.083 176.117 -0.230 0.000 1.091 282 I CA 0.972 62.224 61.300 -0.081 0.000 1.368 282 I CB -0.461 37.252 38.000 -0.478 0.000 1.058 282 I HN 0.219 nan 8.210 nan 0.000 0.410 283 G N 1.483 110.174 108.800 -0.181 0.000 2.469 283 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 283 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 283 G C 1.570 176.497 174.900 0.044 0.000 1.150 283 G CA 0.681 45.755 45.100 -0.044 0.000 0.763 283 G HN 0.189 nan 8.290 nan 0.000 0.561 284 I N 0.441 121.012 120.570 0.002 0.000 2.252 284 I HA -0.030 4.140 4.170 0.000 0.000 0.245 284 I C 2.611 178.768 176.117 0.066 0.000 1.102 284 I CA 0.583 61.895 61.300 0.022 0.000 1.385 284 I CB -1.172 36.752 38.000 -0.127 0.000 1.064 284 I HN 0.159 nan 8.210 nan 0.000 0.414 285 L N 0.733 121.939 121.223 -0.029 0.000 2.131 285 L HA -0.112 4.228 4.340 0.000 0.000 0.210 285 L C 2.203 179.106 176.870 0.055 0.000 1.092 285 L CA 1.661 56.490 54.840 -0.019 0.000 0.759 285 L CB -0.490 41.531 42.059 -0.063 0.000 0.903 285 L HN 0.123 nan 8.230 nan 0.000 0.435 286 L N -1.255 120.029 121.223 0.100 0.000 2.395 286 L HA 0.019 4.360 4.340 0.000 0.000 0.218 286 L C 0.884 177.834 176.870 0.133 0.000 1.130 286 L CA -0.044 54.879 54.840 0.138 0.000 0.826 286 L CB -0.359 41.847 42.059 0.245 0.000 0.941 286 L HN 0.050 nan 8.230 nan 0.000 0.451 287 S N 0.233 116.049 115.700 0.194 0.000 2.430 287 S HA 0.377 4.848 4.470 0.000 0.000 0.282 287 S C 1.094 175.640 174.600 -0.090 0.000 1.186 287 S CA 0.432 58.670 58.200 0.063 0.000 1.060 287 S CB 0.898 64.149 63.200 0.086 0.000 0.966 287 S HN 0.559 nan 8.310 nan 0.000 0.501 288 G N 3.162 111.947 108.800 -0.025 0.000 2.253 288 G HA2 -0.365 3.596 3.960 0.000 0.000 0.251 288 G HA3 -0.365 3.596 3.960 0.000 0.000 0.251 288 G C 1.057 175.960 174.900 0.004 0.000 0.998 288 G CA 0.931 46.075 45.100 0.072 0.000 0.621 288 G HN 0.807 nan 8.290 nan 0.000 0.524 289 T N -2.563 111.988 114.554 -0.005 0.000 2.939 289 T HA 0.392 4.742 4.350 0.000 0.000 0.254 289 T C 2.043 176.730 174.700 -0.023 0.000 1.041 289 T CA 2.033 64.128 62.100 -0.008 0.000 1.142 289 T CB 0.231 69.104 68.868 0.007 0.000 0.874 289 T HN 0.648 nan 8.240 nan 0.000 0.452 290 V N -0.015 119.873 119.914 -0.043 0.000 3.250 290 V HA 0.385 4.506 4.120 0.000 0.000 0.240 290 V C 0.157 176.178 176.094 -0.122 0.000 1.275 290 V CA -0.116 62.155 62.300 -0.048 0.000 1.206 290 V CB 1.272 33.089 31.823 -0.011 0.000 0.976 290 V HN 0.316 nan 8.190 nan 0.000 0.467 291 V N 1.102 120.859 119.914 -0.261 0.000 2.443 291 V HA 0.424 4.544 4.120 0.000 0.000 0.293 291 V C 0.233 176.088 176.094 -0.398 0.000 1.021 291 V CA -0.393 61.616 62.300 -0.485 0.000 0.848 291 V CB 1.657 32.725 31.823 -1.259 0.000 0.998 291 V HN 0.245 nan 8.190 nan 0.000 0.424 292 D N 2.280 122.534 120.400 -0.244 0.000 2.213 292 D HA 0.020 4.660 4.640 0.000 0.000 0.205 292 D C 0.680 176.891 176.300 -0.149 0.000 0.961 292 D CA 1.105 55.018 54.000 -0.145 0.000 0.853 292 D CB 0.380 41.113 40.800 -0.112 0.000 0.967 292 D HN 0.513 nan 8.370 nan 0.000 0.496 293 N N -0.471 118.110 118.700 -0.198 0.000 2.571 293 N HA -0.004 4.737 4.740 0.000 0.000 0.286 293 N C -0.035 175.473 175.510 -0.002 0.000 1.138 293 N CA -0.382 52.637 53.050 -0.052 0.000 0.859 293 N CB 0.388 38.888 38.487 0.021 0.000 1.414 293 N HN -0.113 nan 8.380 nan 0.000 0.529 294 W N 1.895 123.330 121.300 0.225 0.000 2.342 294 W HA -0.173 4.488 4.660 0.000 0.000 0.297 294 W C 1.838 178.558 176.519 0.334 0.000 1.213 294 W CA 0.754 58.270 57.345 0.285 0.000 1.251 294 W CB -0.339 29.280 29.460 0.266 0.000 1.136 294 W HN 0.674 nan 8.180 nan 0.000 0.526 295 Y N 0.684 121.157 120.300 0.289 0.000 2.165 295 Y HA -0.301 4.249 4.550 0.000 0.000 0.286 295 Y C 2.211 178.091 175.900 -0.033 0.000 1.155 295 Y CA 2.106 60.120 58.100 -0.143 0.000 1.164 295 Y CB -0.846 37.486 38.460 -0.213 0.000 0.978 295 Y HN -0.213 nan 8.280 nan 0.000 0.513 296 V N -0.718 119.227 119.914 0.051 0.000 2.244 296 V HA -0.313 3.807 4.120 0.000 0.000 0.244 296 V C 2.114 178.196 176.094 -0.019 0.000 1.042 296 V CA 2.019 64.291 62.300 -0.046 0.000 1.006 296 V CB -1.220 30.626 31.823 0.038 0.000 0.641 296 V HN 0.717 nan 8.190 nan 0.000 0.446 297 W N 1.434 122.682 121.300 -0.086 0.000 2.304 297 W HA -0.241 4.419 4.660 0.000 0.000 0.315 297 W C 2.276 178.818 176.519 0.038 0.000 1.233 297 W CA 2.258 59.584 57.345 -0.033 0.000 1.261 297 W CB -0.721 28.708 29.460 -0.052 0.000 1.150 297 W HN 0.273 nan 8.180 nan 0.000 0.494 298 G N -0.670 108.349 108.800 0.364 0.000 2.498 298 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 298 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 298 G C 1.390 176.245 174.900 -0.074 0.000 1.119 298 G CA 0.786 46.017 45.100 0.218 0.000 0.766 298 G HN 0.317 nan 8.290 nan 0.000 0.552 299 Q N 0.316 119.964 119.800 -0.254 0.000 2.302 299 Q HA 0.046 4.386 4.340 0.000 0.000 0.202 299 Q C 1.255 177.091 176.000 -0.273 0.000 0.936 299 Q CA 0.340 55.948 55.803 -0.325 0.000 0.886 299 Q CB 0.015 28.501 28.738 -0.421 0.000 0.986 299 Q HN 0.410 nan 8.270 nan 0.000 0.487 300 N N 0.684 119.220 118.700 -0.274 0.000 2.322 300 N HA -0.038 4.702 4.740 0.000 0.000 0.216 300 N C -0.121 175.208 175.510 -0.301 0.000 1.144 300 N CA 0.021 52.907 53.050 -0.273 0.000 0.830 300 N CB 0.024 38.355 38.487 -0.261 0.000 1.034 300 N HN 0.184 nan 8.380 nan 0.000 0.484 301 H N 0.225 119.057 119.070 -0.396 0.000 3.296 301 H HA -0.216 4.340 4.556 0.000 0.000 0.292 301 H C 0.732 175.525 175.328 -0.891 0.000 1.000 301 H CA 1.343 57.113 56.048 -0.463 0.000 1.214 301 H CB -0.922 28.695 29.762 -0.241 0.000 1.336 301 H HN 0.510 nan 8.280 nan 0.000 0.326 302 G N -2.315 105.880 108.800 -1.009 0.000 2.348 302 G HA2 0.628 4.588 3.960 0.000 0.000 0.196 302 G HA3 0.628 4.588 3.960 0.000 0.000 0.196 302 G C -0.532 173.947 174.900 -0.701 0.000 2.862 302 G CA 0.152 44.337 45.100 -1.524 0.000 0.802 302 G HN 0.773 nan 8.290 nan 0.000 0.500 303 M N 0.000 119.231 119.600 -0.614 0.000 2.572 303 M HA 0.000 4.480 4.480 0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411