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 1mmf_1_L DATA FIRST_RESID 1 DATA SEQUENCE MKRSKRFAVL AQRPVNQDGL IGEWPEEGLI AMDSPFDPVS SVKVDNGLIV DATA SEQUENCE ELDGKRRDQF DMIDRFIADY AINVERTEQA MRLEAVEIAR MLVDIHVSRE DATA SEQUENCE EIIAITTAIT PAKAVEVMAQ MNVVEMMMAL QKMRARRTPS NQCHVTNLKD DATA SEQUENCE NPVQIAADAA EAGIRGFSEQ ETTVGIARYA PFNALALLVG SQCGRPGVLT DATA SEQUENCE QCSVEEATEL ELGMRGLTSY AETVSVYGTE AVFTDGDDTP WSKAFLASAY DATA SEQUENCE ASRGLKMRYT SGTGSEALMG YSESKSMLYL ESRCIFITKG AGVQGLQNGA DATA SEQUENCE VSCIGMTGAV PSGIRAVLAE NLIASMLDLE VASANDQTFS HSDIRRTART DATA SEQUENCE LMQMLPGTDF IFSGYSAVPN YDNMFAGSNF DAEDFDDYNI LQRDLMVDGG DATA SEQUENCE LRPVTEAETI AIRQKAARAI QAVFRELGLP PIADEEVEAA TYAHGSNEMP DATA SEQUENCE PRNVVEDLSA VEEMMKRNIT GLDIVGALSR SGFEDIASNI LNMLRQRVTG DATA SEQUENCE DYLQTSAILD RQFEVVSAVN DINDYQGPGT GYRISAERWA EIKNIPGVVQ DATA SEQUENCE PDTIE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 K N 1.982 122.371 120.400 -0.018 0.000 5.402 2 K HA -0.063 4.244 4.320 -0.023 0.000 0.866 2 K C -1.378 175.210 176.600 -0.020 0.000 2.559 2 K CA 1.190 57.469 56.287 -0.014 0.000 1.526 2 K CB -0.292 32.203 32.500 -0.009 0.000 2.543 2 K HN 0.720 nan 8.250 nan 0.000 0.241 3 R N -0.049 120.444 120.500 -0.012 0.000 2.832 3 R HA 0.637 4.964 4.340 -0.023 0.000 0.271 3 R C -0.146 176.156 176.300 0.004 0.000 0.996 3 R CA -0.802 55.288 56.100 -0.016 0.000 0.977 3 R CB 1.551 31.848 30.300 -0.006 0.000 1.168 3 R HN 0.440 nan 8.270 nan 0.000 0.482 4 S N 0.463 116.164 115.700 0.002 0.000 2.516 4 S HA -0.001 4.456 4.470 -0.023 0.000 0.282 4 S C 0.920 175.586 174.600 0.111 0.000 1.286 4 S CA -0.348 57.886 58.200 0.057 0.000 1.066 4 S CB 0.640 63.884 63.200 0.074 0.000 0.884 4 S HN 0.769 nan 8.310 nan 0.000 0.491 5 K N 3.558 124.008 120.400 0.084 0.000 2.097 5 K HA -0.122 4.184 4.320 -0.023 0.000 0.205 5 K C 2.223 178.879 176.600 0.093 0.000 1.050 5 K CA 1.060 57.390 56.287 0.072 0.000 0.938 5 K CB -0.130 32.397 32.500 0.045 0.000 0.718 5 K HN 0.582 nan 8.250 nan 0.000 0.442 6 R N 0.380 120.954 120.500 0.123 0.000 2.113 6 R HA -0.165 4.161 4.340 -0.023 0.000 0.244 6 R C 1.736 178.078 176.300 0.071 0.000 1.142 6 R CA 1.931 58.094 56.100 0.106 0.000 0.953 6 R CB -0.849 29.550 30.300 0.166 0.000 0.860 6 R HN 0.189 nan 8.270 nan 0.000 0.438 7 F N -0.116 119.833 119.950 -0.002 0.000 2.502 7 F HA 0.188 4.702 4.527 -0.023 0.000 0.298 7 F C 2.190 177.987 175.800 -0.006 0.000 1.111 7 F CA 0.863 58.861 58.000 -0.004 0.000 1.445 7 F CB -0.400 38.598 39.000 -0.003 0.000 1.081 7 F HN 0.222 nan 8.300 nan 0.000 0.558 8 A N -0.640 122.261 122.820 0.136 0.000 1.935 8 A HA -0.013 4.293 4.320 -0.023 0.000 0.214 8 A C 2.325 179.921 177.584 0.019 0.000 1.178 8 A CA 1.211 53.290 52.037 0.070 0.000 0.640 8 A CB -0.969 18.066 19.000 0.057 0.000 0.825 8 A HN 0.112 nan 8.150 nan 0.000 0.447 9 V N 0.337 120.254 119.914 0.005 0.000 2.261 9 V HA -0.272 3.834 4.120 -0.023 0.000 0.246 9 V C 2.584 178.648 176.094 -0.050 0.000 1.047 9 V CA 2.061 64.348 62.300 -0.021 0.000 1.015 9 V CB -0.831 30.978 31.823 -0.023 0.000 0.642 9 V HN 0.572 nan 8.190 nan 0.000 0.446 10 L N 0.085 121.252 121.223 -0.094 0.000 2.013 10 L HA -0.238 4.089 4.340 -0.023 0.000 0.212 10 L C 2.741 179.555 176.870 -0.094 0.000 1.073 10 L CA 1.797 56.556 54.840 -0.136 0.000 0.753 10 L CB -0.848 41.042 42.059 -0.281 0.000 0.890 10 L HN 0.387 nan 8.230 nan 0.000 0.432 11 A N -0.962 121.821 122.820 -0.062 0.000 1.948 11 A HA -0.249 4.057 4.320 -0.023 0.000 0.220 11 A C 2.132 179.694 177.584 -0.038 0.000 1.177 11 A CA 1.543 53.562 52.037 -0.030 0.000 0.636 11 A CB -0.393 18.614 19.000 0.012 0.000 0.815 11 A HN 0.437 nan 8.150 nan 0.000 0.449 12 Q N -0.330 119.448 119.800 -0.036 0.000 2.482 12 Q HA 0.045 4.371 4.340 -0.023 0.000 0.209 12 Q C 0.108 176.078 176.000 -0.050 0.000 0.961 12 Q CA 0.203 55.983 55.803 -0.039 0.000 0.945 12 Q CB -0.139 28.583 28.738 -0.027 0.000 1.012 12 Q HN 0.386 nan 8.270 nan 0.000 0.515 13 R N 1.134 121.601 120.500 -0.056 0.000 2.522 13 R HA 0.016 4.342 4.340 -0.023 0.000 0.284 13 R C -1.481 174.778 176.300 -0.067 0.000 1.032 13 R CA -1.704 54.363 56.100 -0.056 0.000 1.049 13 R CB -0.439 29.826 30.300 -0.058 0.000 0.956 13 R HN -0.030 nan 8.270 nan 0.000 0.422 14 P HA -0.200 nan 4.420 nan 0.000 0.216 14 P C 1.306 178.564 177.300 -0.070 0.000 1.154 14 P CA 0.794 63.855 63.100 -0.064 0.000 0.865 14 P CB 0.185 31.882 31.700 -0.006 0.000 0.789 15 V N 0.088 119.981 119.914 -0.036 0.000 2.568 15 V HA -0.199 3.907 4.120 -0.023 0.000 0.253 15 V C 1.497 177.569 176.094 -0.037 0.000 1.072 15 V CA 1.852 64.139 62.300 -0.022 0.000 1.084 15 V CB -1.111 30.701 31.823 -0.017 0.000 0.676 15 V HN 0.142 nan 8.190 nan 0.000 0.469 16 N N -0.068 118.593 118.700 -0.064 0.000 2.575 16 N HA -0.024 4.702 4.740 -0.023 0.000 0.192 16 N C 1.341 176.792 175.510 -0.099 0.000 1.200 16 N CA 0.500 53.512 53.050 -0.062 0.000 0.897 16 N CB 0.146 38.599 38.487 -0.057 0.000 0.990 16 N HN 0.636 nan 8.380 nan 0.000 0.449 17 Q N -0.070 119.620 119.800 -0.184 0.000 2.319 17 Q HA 0.070 4.396 4.340 -0.023 0.000 0.209 17 Q C -0.571 175.359 176.000 -0.115 0.000 0.884 17 Q CA 0.101 55.713 55.803 -0.319 0.000 0.938 17 Q CB 0.629 28.835 28.738 -0.886 0.000 1.098 17 Q HN 0.282 nan 8.270 nan 0.000 0.517 18 D N 0.990 121.418 120.400 0.047 0.000 2.345 18 D HA 0.173 4.799 4.640 -0.023 0.000 0.247 18 D C 0.342 176.695 176.300 0.089 0.000 1.108 18 D CA 0.182 54.268 54.000 0.143 0.000 0.894 18 D CB 0.985 41.849 40.800 0.106 0.000 1.203 18 D HN 0.037 nan 8.370 nan 0.000 0.430 19 G N 1.822 110.684 108.800 0.103 0.000 2.394 19 G HA2 0.426 4.373 3.960 -0.023 0.000 0.298 19 G HA3 0.426 4.373 3.960 -0.023 0.000 0.298 19 G C -0.030 174.923 174.900 0.088 0.000 1.087 19 G CA -0.370 44.781 45.100 0.084 0.000 1.035 19 G HN 0.307 nan 8.290 nan 0.000 0.420 20 L N 2.911 124.178 121.223 0.073 0.000 2.334 20 L HA 0.735 5.061 4.340 -0.023 0.000 0.272 20 L C 0.306 177.215 176.870 0.066 0.000 1.020 20 L CA -1.088 53.797 54.840 0.074 0.000 0.812 20 L CB 1.913 44.012 42.059 0.066 0.000 1.264 20 L HN 0.552 nan 8.230 nan 0.000 0.439 21 I N -1.776 118.837 120.570 0.072 0.000 3.006 21 I HA 0.739 4.895 4.170 -0.023 0.000 0.306 21 I C -0.016 176.144 176.117 0.073 0.000 1.250 21 I CA -0.818 60.525 61.300 0.072 0.000 0.996 21 I CB 2.062 40.118 38.000 0.093 0.000 1.261 21 I HN 0.535 nan 8.210 nan 0.000 0.442 22 G N 2.027 110.864 108.800 0.062 0.000 2.599 22 G HA2 0.370 4.316 3.960 -0.023 0.000 0.264 22 G HA3 0.370 4.316 3.960 -0.023 0.000 0.264 22 G C -0.542 174.418 174.900 0.100 0.000 1.200 22 G CA -0.483 44.654 45.100 0.061 0.000 0.896 22 G HN 0.802 nan 8.290 nan 0.000 0.536 23 E N -0.902 119.362 120.200 0.106 0.000 2.383 23 E HA 0.171 4.507 4.350 -0.023 0.000 0.264 23 E C -1.023 175.724 176.600 0.245 0.000 1.050 23 E CA -0.034 56.461 56.400 0.158 0.000 0.896 23 E CB 1.263 31.040 29.700 0.129 0.000 0.982 23 E HN 0.438 nan 8.360 nan 0.000 0.424 24 W N 6.248 127.580 121.300 0.055 0.000 2.073 24 W HA 0.290 4.936 4.660 -0.024 0.000 0.295 24 W C -2.465 174.102 176.519 0.079 0.000 1.005 24 W CA -2.488 54.892 57.345 0.059 0.000 1.451 24 W CB 0.561 30.042 29.460 0.035 0.000 1.515 24 W HN 0.435 nan 8.180 nan 0.000 0.341 25 P HA -0.253 nan 4.420 nan 0.000 0.217 25 P C 1.008 178.369 177.300 0.101 0.000 1.148 25 P CA 1.910 65.174 63.100 0.273 0.000 0.828 25 P CB 0.525 32.470 31.700 0.409 0.000 0.783 26 E N 0.182 120.420 120.200 0.063 0.000 2.130 26 E HA -0.172 4.164 4.350 -0.023 0.000 0.196 26 E C 1.489 177.778 176.600 -0.518 0.000 0.998 26 E CA 1.146 57.376 56.400 -0.284 0.000 0.806 26 E CB -0.562 29.128 29.700 -0.017 0.000 0.738 26 E HN 0.371 nan 8.360 nan 0.000 0.459 27 E N -1.123 118.626 120.200 -0.752 0.000 2.499 27 E HA 0.216 4.553 4.350 -0.023 0.000 0.199 27 E C 0.717 177.091 176.600 -0.377 0.000 1.016 27 E CA 0.397 56.368 56.400 -0.714 0.000 0.933 27 E CB 0.678 29.633 29.700 -1.241 0.000 1.050 27 E HN 0.285 nan 8.360 nan 0.000 0.462 28 G N 1.563 110.232 108.800 -0.218 0.000 2.155 28 G HA2 -0.300 3.646 3.960 -0.023 0.000 0.257 28 G HA3 -0.300 3.646 3.960 -0.023 0.000 0.257 28 G C 0.440 175.329 174.900 -0.018 0.000 0.983 28 G CA 0.168 45.225 45.100 -0.072 0.000 0.676 28 G HN 0.328 nan 8.290 nan 0.000 0.528 29 L N 0.637 121.855 121.223 -0.009 0.000 2.423 29 L HA 0.654 4.980 4.340 -0.023 0.000 0.249 29 L C 0.501 177.439 176.870 0.112 0.000 1.276 29 L CA -0.079 54.803 54.840 0.071 0.000 1.199 29 L CB 0.123 42.266 42.059 0.141 0.000 1.407 29 L HN 0.368 nan 8.230 nan 0.000 0.410 30 I N -0.565 120.058 120.570 0.089 0.000 2.753 30 I HA 0.322 4.478 4.170 -0.023 0.000 0.291 30 I C 0.688 176.849 176.117 0.074 0.000 1.425 30 I CA -0.254 61.102 61.300 0.093 0.000 1.039 30 I CB 1.962 40.030 38.000 0.114 0.000 1.349 30 I HN 0.268 nan 8.210 nan 0.000 0.430 31 A N 7.248 130.105 122.820 0.062 0.000 1.855 31 A HA 0.183 4.489 4.320 -0.023 0.000 0.215 31 A C 0.763 178.382 177.584 0.058 0.000 1.191 31 A CA 1.275 53.341 52.037 0.049 0.000 0.613 31 A CB -0.073 18.948 19.000 0.035 0.000 0.829 31 A HN 0.699 nan 8.150 nan 0.000 0.442 32 M N -2.304 117.332 119.600 0.060 0.000 2.744 32 M HA 0.316 4.782 4.480 -0.023 0.000 0.283 32 M C -1.211 175.126 176.300 0.061 0.000 1.275 32 M CA -0.768 54.571 55.300 0.065 0.000 0.796 32 M CB 1.401 34.031 32.600 0.051 0.000 1.739 32 M HN 0.148 nan 8.290 nan 0.000 0.454 33 D N 1.165 121.599 120.400 0.056 0.000 2.779 33 D HA -0.135 4.491 4.640 -0.023 0.000 0.223 33 D C -0.215 176.101 176.300 0.025 0.000 1.227 33 D CA 0.734 54.752 54.000 0.030 0.000 0.653 33 D CB -1.093 39.717 40.800 0.016 0.000 0.973 33 D HN 0.605 nan 8.370 nan 0.000 0.402 34 S N -0.018 115.713 115.700 0.051 0.000 2.579 34 S HA 0.204 4.660 4.470 -0.023 0.000 0.275 34 S C -1.150 173.437 174.600 -0.020 0.000 1.345 34 S CA -1.114 57.130 58.200 0.073 0.000 1.031 34 S CB 1.234 64.537 63.200 0.171 0.000 0.892 34 S HN -0.084 nan 8.310 nan 0.000 0.529 35 P HA -0.000 nan 4.420 nan 0.000 0.222 35 P C 0.247 177.266 177.300 -0.468 0.000 1.147 35 P CA 1.162 64.046 63.100 -0.361 0.000 0.790 35 P CB 0.008 31.371 31.700 -0.561 0.000 0.780 36 F N -1.620 118.320 119.950 -0.017 0.000 2.776 36 F HA 0.108 4.621 4.527 -0.023 0.000 0.300 36 F C 0.868 176.615 175.800 -0.088 0.000 1.116 36 F CA -0.219 57.761 58.000 -0.033 0.000 1.375 36 F CB -0.590 38.403 39.000 -0.013 0.000 1.109 36 F HN -0.235 nan 8.300 nan 0.000 0.585 37 D N 3.245 123.645 120.400 -0.000 0.000 2.443 37 D HA 0.061 4.687 4.640 -0.023 0.000 0.239 37 D C -1.866 174.292 176.300 -0.236 0.000 1.136 37 D CA -1.017 52.857 54.000 -0.209 0.000 0.879 37 D CB 0.323 41.004 40.800 -0.199 0.000 1.195 37 D HN 0.048 nan 8.370 nan 0.000 0.443 38 P HA 0.092 nan 4.420 nan 0.000 0.274 38 P C -0.529 176.670 177.300 -0.167 0.000 1.246 38 P CA -0.468 62.504 63.100 -0.214 0.000 0.795 38 P CB 0.803 32.379 31.700 -0.206 0.000 1.006 39 V N 1.326 121.189 119.914 -0.085 0.000 2.509 39 V HA 0.140 4.246 4.120 -0.023 0.000 0.284 39 V C 1.119 177.194 176.094 -0.031 0.000 1.047 39 V CA -0.444 61.825 62.300 -0.053 0.000 0.952 39 V CB 0.857 32.661 31.823 -0.032 0.000 0.988 39 V HN 0.791 nan 8.190 nan 0.000 0.469 40 S N 3.971 119.661 115.700 -0.017 0.000 2.558 40 S HA 0.359 4.816 4.470 -0.023 0.000 0.293 40 S C 0.061 174.667 174.600 0.010 0.000 1.292 40 S CA 0.180 58.381 58.200 0.002 0.000 1.063 40 S CB 0.236 63.444 63.200 0.013 0.000 0.831 40 S HN 1.600 nan 8.310 nan 0.000 0.499 41 S N 1.259 116.970 115.700 0.019 0.000 2.611 41 S HA 0.713 5.170 4.470 -0.023 0.000 0.270 41 S C -1.147 173.477 174.600 0.040 0.000 1.131 41 S CA -0.456 57.761 58.200 0.028 0.000 0.826 41 S CB 1.230 64.448 63.200 0.030 0.000 1.095 41 S HN 1.922 nan 8.310 nan 0.000 0.461 42 V N 0.657 120.598 119.914 0.045 0.000 3.108 42 V HA 0.888 4.994 4.120 -0.023 0.000 0.287 42 V C -2.124 174.002 176.094 0.054 0.000 1.436 42 V CA -0.386 61.949 62.300 0.058 0.000 1.001 42 V CB 2.318 34.170 31.823 0.049 0.000 1.141 42 V HN 1.354 nan 8.190 nan 0.000 0.443 43 K N 3.290 123.729 120.400 0.065 0.000 2.523 43 K HA 0.817 5.123 4.320 -0.023 0.000 0.257 43 K C -1.599 175.034 176.600 0.056 0.000 0.932 43 K CA -0.184 56.133 56.287 0.050 0.000 0.812 43 K CB 2.246 34.769 32.500 0.040 0.000 1.326 43 K HN 1.327 nan 8.250 nan 0.000 0.433 44 V N -0.052 119.887 119.914 0.041 0.000 2.638 44 V HA 0.733 4.839 4.120 -0.023 0.000 0.306 44 V C -1.286 174.824 176.094 0.027 0.000 1.052 44 V CA -0.632 61.692 62.300 0.040 0.000 0.885 44 V CB 1.988 33.832 31.823 0.036 0.000 0.999 44 V HN 0.679 nan 8.190 nan 0.000 0.424 45 D N 3.189 123.605 120.400 0.026 0.000 2.492 45 D HA 0.396 5.022 4.640 -0.023 0.000 0.248 45 D C 0.221 176.530 176.300 0.016 0.000 1.101 45 D CA -0.214 53.796 54.000 0.016 0.000 0.840 45 D CB 1.393 42.199 40.800 0.010 0.000 1.209 45 D HN 0.861 nan 8.370 nan 0.000 0.524 46 N N 1.633 120.341 118.700 0.013 0.000 2.707 46 N HA -0.259 4.467 4.740 -0.023 0.000 0.253 46 N C 0.725 176.243 175.510 0.012 0.000 0.998 46 N CA 0.450 53.506 53.050 0.011 0.000 0.751 46 N CB -0.452 38.040 38.487 0.009 0.000 0.920 46 N HN 0.842 nan 8.380 nan 0.000 0.539 47 G N -0.599 108.210 108.800 0.014 0.000 2.147 47 G HA2 -0.291 3.655 3.960 -0.023 0.000 0.244 47 G HA3 -0.291 3.655 3.960 -0.023 0.000 0.244 47 G C -0.172 174.739 174.900 0.019 0.000 1.005 47 G CA 0.290 45.398 45.100 0.013 0.000 0.713 47 G HN 0.416 nan 8.290 nan 0.000 0.515 48 L N 0.294 121.536 121.223 0.033 0.000 2.409 48 L HA 0.520 4.846 4.340 -0.023 0.000 0.272 48 L C 0.570 177.486 176.870 0.077 0.000 0.980 48 L CA -1.191 53.681 54.840 0.053 0.000 0.826 48 L CB 1.783 43.876 42.059 0.055 0.000 1.268 48 L HN 0.078 nan 8.230 nan 0.000 0.407 49 I N 4.312 124.947 120.570 0.109 0.000 2.581 49 I HA -0.050 4.106 4.170 -0.023 0.000 0.285 49 I C 1.028 177.264 176.117 0.199 0.000 1.129 49 I CA 0.139 61.526 61.300 0.146 0.000 1.397 49 I CB 1.105 39.200 38.000 0.159 0.000 1.399 49 I HN 0.451 nan 8.210 nan 0.000 0.537 50 V N 4.924 124.910 119.914 0.120 0.000 2.992 50 V HA 0.013 4.119 4.120 -0.023 0.000 0.250 50 V C 0.661 176.759 176.094 0.007 0.000 1.090 50 V CA 0.781 63.100 62.300 0.031 0.000 1.101 50 V CB -0.207 31.614 31.823 -0.002 0.000 0.743 50 V HN 0.838 nan 8.190 nan 0.000 0.468 51 E N 0.315 120.590 120.200 0.125 0.000 2.256 51 E HA 0.557 4.893 4.350 -0.023 0.000 0.268 51 E C -1.561 175.188 176.600 0.248 0.000 0.877 51 E CA -0.647 55.846 56.400 0.156 0.000 0.757 51 E CB 2.127 31.871 29.700 0.073 0.000 1.183 51 E HN 0.102 nan 8.360 nan 0.000 0.418 52 L N 4.424 125.850 121.223 0.338 0.000 2.406 52 L HA 0.413 4.740 4.340 -0.023 0.000 0.270 52 L C -1.271 175.684 176.870 0.141 0.000 0.982 52 L CA -0.146 54.813 54.840 0.197 0.000 0.843 52 L CB 1.472 43.586 42.059 0.092 0.000 1.225 52 L HN 0.717 nan 8.230 nan 0.000 0.412 53 D N 4.869 125.315 120.400 0.076 0.000 2.735 53 D HA -0.188 4.438 4.640 -0.023 0.000 0.235 53 D C 1.131 177.463 176.300 0.053 0.000 1.175 53 D CA 1.596 55.625 54.000 0.048 0.000 0.683 53 D CB -0.833 39.992 40.800 0.042 0.000 1.008 53 D HN 1.230 nan 8.370 nan 0.000 0.416 54 G N -0.490 108.346 108.800 0.059 0.000 2.205 54 G HA2 -0.373 3.574 3.960 -0.023 0.000 0.261 54 G HA3 -0.373 3.574 3.960 -0.023 0.000 0.261 54 G C 0.319 175.265 174.900 0.076 0.000 0.980 54 G CA 0.845 45.975 45.100 0.051 0.000 0.632 54 G HN 0.511 nan 8.290 nan 0.000 0.533 55 K N 0.542 121.022 120.400 0.133 0.000 2.221 55 K HA 0.622 4.928 4.320 -0.023 0.000 0.258 55 K C 0.500 177.181 176.600 0.135 0.000 0.944 55 K CA -0.813 55.570 56.287 0.160 0.000 0.823 55 K CB 1.385 34.040 32.500 0.259 0.000 1.113 55 K HN 0.219 nan 8.250 nan 0.000 0.431 56 R N 1.493 121.981 120.500 -0.020 0.000 2.500 56 R HA 0.213 4.539 4.340 -0.023 0.000 0.275 56 R C 1.171 177.118 176.300 -0.588 0.000 1.051 56 R CA -0.571 55.417 56.100 -0.187 0.000 1.088 56 R CB 0.724 30.947 30.300 -0.128 0.000 1.063 56 R HN 0.620 nan 8.270 nan 0.000 0.511 57 R N 1.417 121.320 120.500 -0.995 0.000 2.174 57 R HA -0.217 4.109 4.340 -0.023 0.000 0.253 57 R C 0.461 176.250 176.300 -0.853 0.000 1.165 57 R CA 1.972 57.008 56.100 -1.772 0.000 0.984 57 R CB -0.041 29.766 30.300 -0.821 0.000 0.873 57 R HN 0.645 nan 8.270 nan 0.000 0.456 58 D N 0.037 120.188 120.400 -0.416 0.000 2.378 58 D HA -0.134 4.493 4.640 -0.023 0.000 0.222 58 D C 0.717 176.960 176.300 -0.096 0.000 0.980 58 D CA 0.912 54.802 54.000 -0.184 0.000 0.907 58 D CB 0.132 40.859 40.800 -0.122 0.000 0.899 58 D HN 0.587 nan 8.370 nan 0.000 0.527 59 Q N -0.393 119.350 119.800 -0.096 0.000 2.159 59 Q HA 0.193 4.519 4.340 -0.023 0.000 0.217 59 Q C 0.256 176.388 176.000 0.220 0.000 0.818 59 Q CA -0.275 55.558 55.803 0.052 0.000 1.008 59 Q CB 0.586 29.359 28.738 0.058 0.000 1.148 59 Q HN 0.212 nan 8.270 nan 0.000 0.491 60 F N 3.292 123.278 119.950 0.060 0.000 2.563 60 F HA -0.010 4.504 4.527 -0.023 0.000 0.363 60 F C 0.794 176.646 175.800 0.086 0.000 1.123 60 F CA -0.665 57.384 58.000 0.082 0.000 1.307 60 F CB 0.567 39.625 39.000 0.096 0.000 1.115 60 F HN 0.217 nan 8.300 nan 0.000 0.592 61 D N 1.611 122.168 120.400 0.262 0.000 2.440 61 D HA 0.223 4.849 4.640 -0.023 0.000 0.258 61 D C 0.896 177.306 176.300 0.183 0.000 1.092 61 D CA -0.694 53.411 54.000 0.175 0.000 1.016 61 D CB 0.688 41.568 40.800 0.133 0.000 1.141 61 D HN 0.457 nan 8.370 nan 0.000 0.552 62 M N -0.446 119.255 119.600 0.169 0.000 2.108 62 M HA -0.165 4.301 4.480 -0.023 0.000 0.257 62 M C 1.881 178.357 176.300 0.293 0.000 1.071 62 M CA 1.668 57.126 55.300 0.264 0.000 1.093 62 M CB -0.512 32.207 32.600 0.198 0.000 1.345 62 M HN 0.440 nan 8.290 nan 0.000 0.403 63 I N -0.267 120.407 120.570 0.174 0.000 2.142 63 I HA -0.306 3.851 4.170 -0.023 0.000 0.240 63 I C 2.047 178.217 176.117 0.088 0.000 1.078 63 I CA 1.176 62.562 61.300 0.143 0.000 1.343 63 I CB -0.755 37.321 38.000 0.127 0.000 1.046 63 I HN 0.274 nan 8.210 nan 0.000 0.405 64 D N 0.853 121.245 120.400 -0.012 0.000 2.103 64 D HA -0.243 4.383 4.640 -0.023 0.000 0.190 64 D C 2.182 178.233 176.300 -0.415 0.000 0.997 64 D CA 1.505 55.329 54.000 -0.294 0.000 0.833 64 D CB -0.377 40.167 40.800 -0.428 0.000 0.961 64 D HN 0.252 nan 8.370 nan 0.000 0.447 65 R N -0.220 120.175 120.500 -0.174 0.000 2.096 65 R HA -0.200 4.126 4.340 -0.023 0.000 0.240 65 R C 2.458 178.883 176.300 0.208 0.000 1.139 65 R CA 1.393 57.552 56.100 0.098 0.000 0.952 65 R CB -0.651 29.886 30.300 0.395 0.000 0.854 65 R HN 0.156 nan 8.270 nan 0.000 0.436 66 F N 0.950 120.975 119.950 0.124 0.000 2.095 66 F HA -0.175 4.337 4.527 -0.024 0.000 0.298 66 F C 1.993 177.801 175.800 0.014 0.000 1.104 66 F CA 1.691 59.650 58.000 -0.069 0.000 1.232 66 F CB -0.129 38.586 39.000 -0.475 0.000 0.987 66 F HN 0.016 nan 8.300 nan 0.000 0.475 67 I N 0.083 120.690 120.570 0.061 0.000 2.142 67 I HA -0.328 3.829 4.170 -0.023 0.000 0.240 67 I C 2.735 178.830 176.117 -0.038 0.000 1.078 67 I CA 1.214 62.529 61.300 0.025 0.000 1.343 67 I CB -1.035 36.979 38.000 0.023 0.000 1.046 67 I HN 0.230 nan 8.210 nan 0.000 0.405 68 A N 0.471 123.234 122.820 -0.095 0.000 1.917 68 A HA -0.260 4.046 4.320 -0.023 0.000 0.219 68 A C 1.768 179.360 177.584 0.012 0.000 1.182 68 A CA 2.360 54.364 52.037 -0.056 0.000 0.633 68 A CB -0.523 18.405 19.000 -0.119 0.000 0.819 68 A HN 0.445 nan 8.150 nan 0.000 0.448 69 D N -3.351 117.067 120.400 0.029 0.000 2.360 69 D HA 0.166 4.792 4.640 -0.023 0.000 0.210 69 D C 0.487 176.657 176.300 -0.216 0.000 1.047 69 D CA 0.553 54.539 54.000 -0.022 0.000 0.854 69 D CB 0.158 41.002 40.800 0.074 0.000 0.936 69 D HN 0.617 nan 8.370 nan 0.000 0.514 70 Y N -0.185 119.917 120.300 -0.330 0.000 2.476 70 Y HA 0.356 4.892 4.550 -0.024 0.000 0.274 70 Y C 1.875 177.641 175.900 -0.223 0.000 1.120 70 Y CA -0.136 57.733 58.100 -0.386 0.000 1.214 70 Y CB 0.399 38.334 38.460 -0.874 0.000 1.285 70 Y HN -0.066 nan 8.280 nan 0.000 0.520 71 A N -0.104 122.725 122.820 0.015 0.000 2.348 71 A HA 0.450 4.756 4.320 -0.023 0.000 0.224 71 A C 0.191 177.883 177.584 0.179 0.000 1.227 71 A CA 0.270 52.380 52.037 0.122 0.000 0.885 71 A CB -0.312 18.844 19.000 0.259 0.000 0.933 71 A HN 0.219 nan 8.150 nan 0.000 0.506 72 I N -0.195 120.439 120.570 0.107 0.000 2.533 72 I HA 0.176 4.333 4.170 -0.023 0.000 0.290 72 I C -0.259 175.890 176.117 0.053 0.000 1.056 72 I CA -0.611 60.758 61.300 0.115 0.000 1.057 72 I CB 2.109 40.172 38.000 0.104 0.000 1.240 72 I HN 0.215 nan 8.210 nan 0.000 0.423 73 N N 4.721 123.452 118.700 0.052 0.000 2.466 73 N HA 0.084 4.810 4.740 -0.023 0.000 0.263 73 N C 1.360 176.886 175.510 0.027 0.000 1.178 73 N CA -0.363 52.703 53.050 0.026 0.000 0.983 73 N CB 0.803 39.305 38.487 0.025 0.000 1.331 73 N HN 0.609 nan 8.380 nan 0.000 0.500 74 V N 1.143 121.068 119.914 0.018 0.000 2.439 74 V HA -0.258 3.848 4.120 -0.023 0.000 0.253 74 V C 2.021 178.127 176.094 0.020 0.000 1.074 74 V CA 1.690 64.002 62.300 0.021 0.000 1.076 74 V CB -0.645 31.185 31.823 0.012 0.000 0.664 74 V HN 0.707 nan 8.190 nan 0.000 0.461 75 E N 2.081 122.289 120.200 0.014 0.000 2.028 75 E HA -0.237 4.099 4.350 -0.023 0.000 0.191 75 E C 2.367 178.978 176.600 0.018 0.000 0.988 75 E CA 1.993 58.401 56.400 0.013 0.000 0.799 75 E CB -0.060 29.645 29.700 0.008 0.000 0.755 75 E HN 0.836 nan 8.360 nan 0.000 0.447 76 R N -0.146 120.367 120.500 0.021 0.000 2.317 76 R HA 0.118 4.444 4.340 -0.023 0.000 0.208 76 R C 2.182 178.501 176.300 0.031 0.000 0.914 76 R CA 0.733 56.847 56.100 0.024 0.000 1.060 76 R CB -0.390 29.924 30.300 0.022 0.000 1.015 76 R HN -0.001 nan 8.270 nan 0.000 0.498 77 T N 1.427 116.003 114.554 0.036 0.000 2.652 77 T HA -0.178 4.158 4.350 -0.023 0.000 0.267 77 T C 1.618 176.340 174.700 0.038 0.000 1.039 77 T CA 1.652 63.778 62.100 0.043 0.000 1.153 77 T CB -0.072 68.825 68.868 0.049 0.000 0.863 77 T HN 0.288 nan 8.240 nan 0.000 0.428 78 E N 0.627 120.847 120.200 0.033 0.000 2.095 78 E HA -0.288 4.048 4.350 -0.023 0.000 0.212 78 E C 2.228 178.844 176.600 0.027 0.000 1.044 78 E CA 2.064 58.481 56.400 0.029 0.000 0.857 78 E CB -0.455 29.260 29.700 0.025 0.000 0.764 78 E HN 0.699 nan 8.360 nan 0.000 0.462 79 Q N -0.015 119.800 119.800 0.025 0.000 2.083 79 Q HA -0.075 4.251 4.340 -0.023 0.000 0.198 79 Q C 2.118 178.133 176.000 0.026 0.000 0.969 79 Q CA 1.277 57.094 55.803 0.023 0.000 0.838 79 Q CB -0.081 28.668 28.738 0.019 0.000 0.900 79 Q HN 0.244 nan 8.270 nan 0.000 0.436 80 A N 0.645 123.483 122.820 0.030 0.000 1.933 80 A HA -0.161 4.145 4.320 -0.023 0.000 0.218 80 A C 1.955 179.561 177.584 0.038 0.000 1.175 80 A CA 1.366 53.425 52.037 0.035 0.000 0.628 80 A CB -0.422 18.604 19.000 0.043 0.000 0.814 80 A HN 0.418 nan 8.150 nan 0.000 0.444 81 M N -0.500 119.123 119.600 0.037 0.000 2.632 81 M HA -0.001 4.465 4.480 -0.023 0.000 0.256 81 M C 1.720 178.038 176.300 0.029 0.000 1.080 81 M CA 0.843 56.165 55.300 0.036 0.000 1.084 81 M CB -1.025 31.596 32.600 0.035 0.000 1.439 81 M HN 0.400 nan 8.290 nan 0.000 0.509 82 R N -0.325 120.191 120.500 0.026 0.000 2.275 82 R HA 0.172 4.498 4.340 -0.023 0.000 0.199 82 R C 0.468 176.781 176.300 0.022 0.000 0.989 82 R CA 0.117 56.231 56.100 0.022 0.000 1.016 82 R CB 0.016 30.328 30.300 0.019 0.000 0.918 82 R HN 0.305 nan 8.270 nan 0.000 0.473 83 L N 1.864 123.102 121.223 0.025 0.000 2.397 83 L HA 0.068 4.395 4.340 -0.023 0.000 0.271 83 L C 0.328 177.214 176.870 0.026 0.000 1.148 83 L CA -0.004 54.851 54.840 0.025 0.000 0.825 83 L CB 0.710 42.786 42.059 0.029 0.000 1.117 83 L HN 0.027 nan 8.230 nan 0.000 0.456 84 E N 1.167 121.381 120.200 0.023 0.000 2.383 84 E HA 0.122 4.458 4.350 -0.023 0.000 0.264 84 E C 0.725 177.340 176.600 0.026 0.000 1.050 84 E CA 0.069 56.483 56.400 0.022 0.000 0.896 84 E CB 1.202 30.913 29.700 0.019 0.000 0.982 84 E HN 0.719 nan 8.360 nan 0.000 0.424 85 A N 3.139 125.976 122.820 0.027 0.000 1.892 85 A HA -0.204 4.102 4.320 -0.023 0.000 0.218 85 A C 2.153 179.755 177.584 0.030 0.000 1.188 85 A CA 1.805 53.861 52.037 0.032 0.000 0.631 85 A CB -0.752 18.266 19.000 0.031 0.000 0.822 85 A HN 0.511 nan 8.150 nan 0.000 0.447 86 V N -0.080 119.848 119.914 0.024 0.000 2.392 86 V HA -0.207 3.900 4.120 -0.023 0.000 0.249 86 V C 2.367 178.475 176.094 0.024 0.000 1.059 86 V CA 2.659 64.972 62.300 0.023 0.000 1.051 86 V CB -0.571 31.264 31.823 0.019 0.000 0.658 86 V HN 0.576 nan 8.190 nan 0.000 0.455 87 E N -0.034 120.181 120.200 0.024 0.000 2.204 87 E HA -0.132 4.204 4.350 -0.023 0.000 0.195 87 E C 2.019 178.636 176.600 0.028 0.000 0.990 87 E CA 1.626 58.041 56.400 0.025 0.000 0.821 87 E CB -0.168 29.546 29.700 0.023 0.000 0.750 87 E HN 0.712 nan 8.360 nan 0.000 0.477 88 I N 0.200 120.789 120.570 0.030 0.000 2.333 88 I HA -0.154 4.003 4.170 -0.023 0.000 0.246 88 I C 2.430 178.566 176.117 0.032 0.000 1.106 88 I CA 0.786 62.106 61.300 0.033 0.000 1.411 88 I CB -0.381 37.643 38.000 0.040 0.000 1.082 88 I HN -0.041 nan 8.210 nan 0.000 0.420 89 A N 1.285 124.123 122.820 0.030 0.000 1.978 89 A HA -0.202 4.104 4.320 -0.023 0.000 0.220 89 A C 2.382 179.981 177.584 0.025 0.000 1.170 89 A CA 1.523 53.576 52.037 0.027 0.000 0.636 89 A CB -0.568 18.447 19.000 0.025 0.000 0.810 89 A HN 0.354 nan 8.150 nan 0.000 0.448 90 R N -1.068 119.447 120.500 0.025 0.000 2.115 90 R HA 0.033 4.359 4.340 -0.023 0.000 0.226 90 R C 2.157 178.473 176.300 0.027 0.000 1.100 90 R CA 1.447 57.562 56.100 0.025 0.000 0.980 90 R CB -0.347 29.968 30.300 0.025 0.000 0.875 90 R HN 0.568 nan 8.270 nan 0.000 0.445 91 M N 0.106 119.724 119.600 0.029 0.000 2.132 91 M HA -0.126 4.341 4.480 -0.023 0.000 0.263 91 M C 1.809 178.128 176.300 0.030 0.000 1.065 91 M CA 1.190 56.509 55.300 0.032 0.000 1.122 91 M CB -0.267 32.352 32.600 0.032 0.000 1.365 91 M HN 0.049 nan 8.290 nan 0.000 0.411 92 L N -0.276 120.965 121.223 0.029 0.000 2.129 92 L HA -0.145 4.181 4.340 -0.023 0.000 0.212 92 L C 2.165 179.056 176.870 0.034 0.000 1.087 92 L CA 1.449 56.307 54.840 0.030 0.000 0.757 92 L CB -0.725 41.349 42.059 0.026 0.000 0.896 92 L HN 0.148 nan 8.230 nan 0.000 0.434 93 V N -1.607 118.324 119.914 0.029 0.000 3.643 93 V HA 0.108 4.214 4.120 -0.023 0.000 0.280 93 V C 0.357 176.459 176.094 0.014 0.000 1.351 93 V CA -0.156 62.161 62.300 0.029 0.000 1.073 93 V CB 0.069 31.904 31.823 0.021 0.000 0.863 93 V HN 0.271 nan 8.190 nan 0.000 0.436 94 D N 1.196 121.601 120.400 0.008 0.000 2.346 94 D HA 0.042 4.668 4.640 -0.023 0.000 0.260 94 D C 1.517 177.778 176.300 -0.065 0.000 1.252 94 D CA 0.019 54.008 54.000 -0.019 0.000 0.895 94 D CB 1.014 41.829 40.800 0.026 0.000 1.097 94 D HN 0.530 nan 8.370 nan 0.000 0.489 95 I N 1.941 122.402 120.570 -0.182 0.000 3.083 95 I HA -0.144 4.012 4.170 -0.023 0.000 0.273 95 I C 0.880 176.849 176.117 -0.246 0.000 1.297 95 I CA 0.699 61.848 61.300 -0.250 0.000 1.452 95 I CB -0.137 37.661 38.000 -0.337 0.000 1.078 95 I HN 0.289 nan 8.210 nan 0.000 0.484 96 H N 1.267 120.314 119.070 -0.037 0.000 2.497 96 H HA 0.334 4.897 4.556 0.012 0.000 0.282 96 H C 0.781 176.094 175.328 -0.025 0.000 1.003 96 H CA 0.298 56.326 56.048 -0.034 0.000 1.307 96 H CB 0.082 29.830 29.762 -0.023 0.000 1.437 96 H HN 0.220 nan 8.280 nan 0.000 0.544 97 V N 2.965 122.931 119.914 0.087 0.000 2.530 97 V HA 0.110 4.216 4.120 -0.023 0.000 0.282 97 V C 0.721 176.832 176.094 0.028 0.000 1.048 97 V CA -0.488 61.844 62.300 0.052 0.000 0.997 97 V CB 1.408 33.258 31.823 0.045 0.000 0.987 97 V HN 0.348 nan 8.190 nan 0.000 0.477 98 S N 5.073 120.787 115.700 0.024 0.000 2.646 98 S HA 0.385 4.841 4.470 -0.023 0.000 0.276 98 S C 1.053 175.665 174.600 0.021 0.000 1.222 98 S CA -0.487 57.723 58.200 0.017 0.000 1.014 98 S CB 1.348 64.555 63.200 0.012 0.000 0.991 98 S HN 0.706 nan 8.310 nan 0.000 0.533 99 R N 1.042 121.557 120.500 0.024 0.000 2.096 99 R HA -0.153 4.173 4.340 -0.023 0.000 0.240 99 R C 1.850 178.158 176.300 0.013 0.000 1.139 99 R CA 2.170 58.284 56.100 0.023 0.000 0.952 99 R CB -0.470 29.846 30.300 0.026 0.000 0.854 99 R HN 0.873 nan 8.270 nan 0.000 0.436 100 E N 0.743 120.949 120.200 0.010 0.000 2.110 100 E HA -0.211 4.126 4.350 -0.023 0.000 0.193 100 E C 1.733 178.338 176.600 0.008 0.000 0.988 100 E CA 1.331 57.734 56.400 0.006 0.000 0.804 100 E CB -0.361 29.341 29.700 0.004 0.000 0.745 100 E HN 0.592 nan 8.360 nan 0.000 0.458 101 E N 0.978 121.184 120.200 0.012 0.000 2.038 101 E HA -0.141 4.195 4.350 -0.023 0.000 0.195 101 E C 2.174 178.784 176.600 0.016 0.000 1.000 101 E CA 0.989 57.397 56.400 0.014 0.000 0.803 101 E CB -0.213 29.497 29.700 0.018 0.000 0.750 101 E HN 0.189 nan 8.360 nan 0.000 0.448 102 I N 1.405 121.985 120.570 0.018 0.000 2.394 102 I HA -0.211 3.945 4.170 -0.023 0.000 0.251 102 I C 1.968 178.093 176.117 0.014 0.000 1.136 102 I CA 1.214 62.526 61.300 0.019 0.000 1.425 102 I CB -0.235 37.778 38.000 0.022 0.000 1.079 102 I HN 0.164 nan 8.210 nan 0.000 0.425 103 I N 1.495 122.069 120.570 0.007 0.000 2.179 103 I HA -0.252 3.904 4.170 -0.023 0.000 0.242 103 I C 2.762 178.880 176.117 0.003 0.000 1.088 103 I CA 1.326 62.624 61.300 -0.002 0.000 1.357 103 I CB -0.592 37.403 38.000 -0.009 0.000 1.051 103 I HN 0.231 nan 8.210 nan 0.000 0.409 104 A N 0.667 123.491 122.820 0.007 0.000 2.076 104 A HA -0.156 4.151 4.320 -0.023 0.000 0.220 104 A C 2.224 179.820 177.584 0.020 0.000 1.160 104 A CA 1.440 53.483 52.037 0.011 0.000 0.653 104 A CB -0.583 18.424 19.000 0.011 0.000 0.801 104 A HN 0.416 nan 8.150 nan 0.000 0.455 105 I N -0.682 119.903 120.570 0.024 0.000 2.368 105 I HA -0.144 4.013 4.170 -0.023 0.000 0.238 105 I C 2.866 179.012 176.117 0.048 0.000 1.076 105 I CA 1.518 62.839 61.300 0.035 0.000 1.397 105 I CB -0.818 37.202 38.000 0.034 0.000 1.141 105 I HN 0.463 nan 8.210 nan 0.000 0.430 106 T N -1.212 113.369 114.554 0.044 0.000 2.778 106 T HA -0.205 4.131 4.350 -0.023 0.000 0.269 106 T C 1.657 176.397 174.700 0.066 0.000 1.050 106 T CA 1.893 64.029 62.100 0.060 0.000 1.137 106 T CB -1.332 67.552 68.868 0.027 0.000 0.860 106 T HN 0.467 nan 8.240 nan 0.000 0.468 107 T N -0.942 113.629 114.554 0.028 0.000 3.163 107 T HA 0.521 4.857 4.350 -0.023 0.000 0.260 107 T C 1.497 176.246 174.700 0.081 0.000 1.156 107 T CA 0.354 62.467 62.100 0.021 0.000 1.072 107 T CB -0.264 68.599 68.868 -0.008 0.000 0.937 107 T HN 0.583 nan 8.240 nan 0.000 0.528 108 A N 0.836 123.714 122.820 0.097 0.000 2.545 108 A HA 0.622 4.928 4.320 -0.023 0.000 0.263 108 A C 0.751 178.405 177.584 0.115 0.000 1.202 108 A CA -0.717 51.377 52.037 0.095 0.000 0.959 108 A CB -0.026 19.009 19.000 0.059 0.000 1.124 108 A HN 0.747 nan 8.150 nan 0.000 0.543 109 I N -2.668 118.004 120.570 0.170 0.000 3.474 109 I HA 0.769 4.925 4.170 -0.023 0.000 0.294 109 I C 0.226 176.429 176.117 0.143 0.000 1.185 109 I CA -0.529 60.859 61.300 0.148 0.000 1.003 109 I CB 1.587 39.675 38.000 0.145 0.000 1.327 109 I HN 0.057 nan 8.210 nan 0.000 0.541 110 T N -2.264 112.288 114.554 -0.004 0.000 2.938 110 T HA 0.525 4.861 4.350 -0.023 0.000 0.285 110 T C -2.172 172.250 174.700 -0.464 0.000 1.028 110 T CA -1.868 60.065 62.100 -0.278 0.000 1.005 110 T CB 1.543 70.326 68.868 -0.142 0.000 1.157 110 T HN 0.408 nan 8.240 nan 0.000 0.550 111 P HA -0.036 nan 4.420 nan 0.000 0.216 111 P C 1.511 178.832 177.300 0.036 0.000 1.150 111 P CA 1.624 64.452 63.100 -0.453 0.000 0.843 111 P CB -0.244 31.227 31.700 -0.383 0.000 0.787 112 A N -1.075 121.814 122.820 0.115 0.000 2.014 112 A HA -0.137 4.169 4.320 -0.023 0.000 0.218 112 A C 2.207 179.836 177.584 0.076 0.000 1.163 112 A CA 1.563 53.682 52.037 0.136 0.000 0.652 112 A CB -0.834 18.184 19.000 0.031 0.000 0.808 112 A HN 0.027 nan 8.150 nan 0.000 0.449 113 K N 0.326 120.755 120.400 0.049 0.000 2.062 113 K HA 0.112 4.418 4.320 -0.023 0.000 0.205 113 K C 2.026 178.682 176.600 0.093 0.000 1.051 113 K CA 1.429 57.752 56.287 0.061 0.000 0.941 113 K CB -0.528 32.006 32.500 0.058 0.000 0.719 113 K HN 0.282 nan 8.250 nan 0.000 0.440 114 A N 0.217 123.119 122.820 0.136 0.000 1.908 114 A HA -0.146 4.160 4.320 -0.023 0.000 0.218 114 A C 2.338 180.001 177.584 0.132 0.000 1.181 114 A CA 1.954 54.095 52.037 0.173 0.000 0.627 114 A CB -1.015 18.171 19.000 0.311 0.000 0.818 114 A HN 0.211 nan 8.150 nan 0.000 0.445 115 V N 0.091 120.087 119.914 0.137 0.000 2.427 115 V HA -0.205 3.902 4.120 -0.023 0.000 0.248 115 V C 2.123 178.268 176.094 0.085 0.000 1.051 115 V CA 2.577 64.949 62.300 0.121 0.000 1.048 115 V CB -0.573 31.352 31.823 0.171 0.000 0.666 115 V HN 0.713 nan 8.190 nan 0.000 0.456 116 E N -0.445 119.799 120.200 0.074 0.000 2.204 116 E HA -0.145 4.191 4.350 -0.023 0.000 0.194 116 E C 2.185 178.813 176.600 0.046 0.000 0.989 116 E CA 1.357 57.786 56.400 0.049 0.000 0.824 116 E CB -0.077 29.645 29.700 0.037 0.000 0.756 116 E HN 0.565 nan 8.360 nan 0.000 0.477 117 V N 1.104 121.051 119.914 0.056 0.000 2.358 117 V HA -0.257 3.849 4.120 -0.023 0.000 0.246 117 V C 2.229 178.348 176.094 0.042 0.000 1.047 117 V CA 1.277 63.606 62.300 0.048 0.000 1.035 117 V CB -0.291 31.565 31.823 0.056 0.000 0.658 117 V HN 0.342 nan 8.190 nan 0.000 0.452 118 M N 0.117 119.745 119.600 0.047 0.000 2.149 118 M HA -0.131 4.336 4.480 -0.023 0.000 0.261 118 M C 2.387 178.706 176.300 0.032 0.000 1.064 118 M CA 2.083 57.406 55.300 0.038 0.000 1.102 118 M CB -1.608 31.017 32.600 0.042 0.000 1.369 118 M HN 0.400 nan 8.290 nan 0.000 0.408 119 A N -0.257 122.583 122.820 0.035 0.000 2.131 119 A HA -0.162 4.144 4.320 -0.023 0.000 0.220 119 A C 1.936 179.534 177.584 0.023 0.000 1.158 119 A CA 1.197 53.251 52.037 0.028 0.000 0.665 119 A CB -0.471 18.546 19.000 0.028 0.000 0.795 119 A HN 0.550 nan 8.150 nan 0.000 0.460 120 Q N -1.137 118.677 119.800 0.023 0.000 2.360 120 Q HA 0.267 4.594 4.340 -0.023 0.000 0.202 120 Q C -0.174 175.837 176.000 0.018 0.000 0.915 120 Q CA 0.379 56.194 55.803 0.020 0.000 0.943 120 Q CB 0.084 28.835 28.738 0.021 0.000 1.064 120 Q HN 0.738 nan 8.270 nan 0.000 0.511 121 M N 1.133 120.744 119.600 0.017 0.000 2.530 121 M HA 0.267 4.733 4.480 -0.023 0.000 0.307 121 M C -0.300 176.006 176.300 0.011 0.000 1.161 121 M CA -1.020 54.288 55.300 0.014 0.000 0.903 121 M CB 1.828 34.436 32.600 0.014 0.000 1.711 121 M HN -0.090 nan 8.290 nan 0.000 0.451 122 N N 0.412 119.117 118.700 0.009 0.000 2.447 122 N HA 0.382 5.108 4.740 -0.023 0.000 0.271 122 N C 0.321 175.833 175.510 0.003 0.000 1.226 122 N CA -0.893 52.162 53.050 0.007 0.000 0.980 122 N CB 0.319 38.811 38.487 0.008 0.000 1.206 122 N HN 0.400 nan 8.380 nan 0.000 0.558 123 V N -0.180 119.734 119.914 0.001 0.000 2.407 123 V HA -0.192 3.914 4.120 -0.023 0.000 0.248 123 V C 2.163 178.252 176.094 -0.007 0.000 1.055 123 V CA 1.367 63.664 62.300 -0.004 0.000 1.049 123 V CB -0.579 31.241 31.823 -0.004 0.000 0.662 123 V HN 0.564 nan 8.190 nan 0.000 0.455 124 V N -0.142 119.769 119.914 -0.004 0.000 2.407 124 V HA -0.274 3.832 4.120 -0.023 0.000 0.248 124 V C 2.355 178.445 176.094 -0.006 0.000 1.055 124 V CA 2.094 64.391 62.300 -0.006 0.000 1.049 124 V CB -0.649 31.172 31.823 -0.002 0.000 0.662 124 V HN 0.623 nan 8.190 nan 0.000 0.455 125 E N -0.405 119.794 120.200 -0.001 0.000 2.106 125 E HA -0.165 4.171 4.350 -0.023 0.000 0.192 125 E C 2.247 178.846 176.600 -0.002 0.000 0.984 125 E CA 1.263 57.664 56.400 0.002 0.000 0.806 125 E CB -0.207 29.497 29.700 0.007 0.000 0.750 125 E HN 0.533 nan 8.360 nan 0.000 0.458 126 M N -0.127 119.469 119.600 -0.006 0.000 2.159 126 M HA -0.147 4.319 4.480 -0.023 0.000 0.263 126 M C 2.304 178.590 176.300 -0.024 0.000 1.063 126 M CA 1.387 56.681 55.300 -0.011 0.000 1.110 126 M CB -0.152 32.441 32.600 -0.012 0.000 1.374 126 M HN 0.167 nan 8.290 nan 0.000 0.411 127 M N -0.796 118.787 119.600 -0.029 0.000 2.132 127 M HA -0.181 4.285 4.480 -0.023 0.000 0.263 127 M C 2.364 178.627 176.300 -0.061 0.000 1.065 127 M CA 1.344 56.615 55.300 -0.047 0.000 1.122 127 M CB -0.363 32.211 32.600 -0.044 0.000 1.365 127 M HN 0.284 nan 8.290 nan 0.000 0.411 128 M N 0.866 120.443 119.600 -0.039 0.000 2.086 128 M HA -0.110 4.356 4.480 -0.023 0.000 0.261 128 M C 2.165 178.451 176.300 -0.023 0.000 1.067 128 M CA 2.223 57.505 55.300 -0.030 0.000 1.116 128 M CB -0.566 32.039 32.600 0.008 0.000 1.348 128 M HN 0.192 nan 8.290 nan 0.000 0.407 129 A N -0.196 122.619 122.820 -0.007 0.000 1.877 129 A HA -0.123 4.183 4.320 -0.023 0.000 0.216 129 A C 2.132 179.704 177.584 -0.019 0.000 1.186 129 A CA 1.773 53.813 52.037 0.006 0.000 0.620 129 A CB -1.253 17.751 19.000 0.007 0.000 0.822 129 A HN 0.558 nan 8.150 nan 0.000 0.443 130 L N 0.756 121.952 121.223 -0.044 0.000 2.043 130 L HA -0.258 4.069 4.340 -0.023 0.000 0.212 130 L C 2.755 179.568 176.870 -0.094 0.000 1.075 130 L CA 2.704 57.509 54.840 -0.059 0.000 0.752 130 L CB -0.762 41.261 42.059 -0.061 0.000 0.891 130 L HN 0.733 nan 8.230 nan 0.000 0.432 131 Q N -1.075 118.628 119.800 -0.161 0.000 2.437 131 Q HA -0.246 4.080 4.340 -0.023 0.000 0.210 131 Q C 1.966 177.813 176.000 -0.256 0.000 0.972 131 Q CA 1.767 57.402 55.803 -0.279 0.000 0.903 131 Q CB -0.274 28.166 28.738 -0.495 0.000 0.967 131 Q HN 0.579 nan 8.270 nan 0.000 0.486 132 K N -0.532 119.819 120.400 -0.082 0.000 2.350 132 K HA 0.117 4.423 4.320 -0.023 0.000 0.196 132 K C 1.584 178.214 176.600 0.050 0.000 1.084 132 K CA 0.116 56.462 56.287 0.098 0.000 0.967 132 K CB 0.409 33.051 32.500 0.237 0.000 0.950 132 K HN 0.131 nan 8.250 nan 0.000 0.512 133 M N 1.401 121.007 119.600 0.009 0.000 2.558 133 M HA 0.078 4.544 4.480 -0.023 0.000 0.255 133 M C 0.559 176.847 176.300 -0.020 0.000 1.113 133 M CA 0.351 55.650 55.300 -0.002 0.000 1.097 133 M CB -0.778 31.817 32.600 -0.009 0.000 1.426 133 M HN 0.040 nan 8.290 nan 0.000 0.488 134 R N 1.012 121.491 120.500 -0.035 0.000 2.537 134 R HA 0.134 4.460 4.340 -0.023 0.000 0.281 134 R C 1.092 177.365 176.300 -0.046 0.000 0.988 134 R CA 0.478 56.548 56.100 -0.051 0.000 1.077 134 R CB 0.629 30.884 30.300 -0.075 0.000 0.932 134 R HN 0.214 nan 8.270 nan 0.000 0.409 135 A N 5.660 128.450 122.820 -0.050 0.000 1.832 135 A HA -0.106 4.200 4.320 -0.023 0.000 0.214 135 A C 1.175 178.722 177.584 -0.061 0.000 1.200 135 A CA 0.979 52.988 52.037 -0.047 0.000 0.610 135 A CB -0.304 18.670 19.000 -0.042 0.000 0.842 135 A HN 0.787 nan 8.150 nan 0.000 0.444 136 R N -0.668 119.775 120.500 -0.095 0.000 2.582 136 R HA 0.249 4.575 4.340 -0.023 0.000 0.271 136 R C 1.318 177.536 176.300 -0.137 0.000 1.078 136 R CA -0.131 55.896 56.100 -0.122 0.000 1.127 136 R CB 0.461 30.654 30.300 -0.178 0.000 1.038 136 R HN 0.500 nan 8.270 nan 0.000 0.500 137 R N 0.669 121.088 120.500 -0.135 0.000 2.062 137 R HA -0.002 4.324 4.340 -0.023 0.000 0.226 137 R C -0.093 176.009 176.300 -0.330 0.000 1.125 137 R CA 1.189 57.207 56.100 -0.136 0.000 0.966 137 R CB 0.114 30.375 30.300 -0.064 0.000 0.861 137 R HN 0.522 nan 8.270 nan 0.000 0.433 138 T N 3.368 117.665 114.554 -0.429 0.000 2.743 138 T HA 0.320 4.656 4.350 -0.023 0.000 0.293 138 T C -2.471 171.938 174.700 -0.485 0.000 0.945 138 T CA -1.444 60.234 62.100 -0.703 0.000 1.030 138 T CB 1.715 70.258 68.868 -0.542 0.000 0.912 138 T HN 0.103 nan 8.240 nan 0.000 0.483 139 P HA 0.316 nan 4.420 nan 0.000 0.271 139 P C -0.239 176.895 177.300 -0.276 0.000 1.218 139 P CA -0.225 62.698 63.100 -0.295 0.000 0.780 139 P CB 0.825 32.421 31.700 -0.173 0.000 0.901 140 S N 1.497 117.008 115.700 -0.316 0.000 2.855 140 S HA 0.645 5.101 4.470 -0.023 0.000 0.308 140 S C -1.061 173.519 174.600 -0.033 0.000 1.077 140 S CA -0.531 57.511 58.200 -0.263 0.000 0.896 140 S CB 0.611 63.497 63.200 -0.523 0.000 1.339 140 S HN 0.488 nan 8.310 nan 0.000 0.602 141 N N 0.171 118.965 118.700 0.156 0.000 2.446 141 N HA 0.307 5.033 4.740 -0.023 0.000 0.272 141 N C -2.047 173.823 175.510 0.599 0.000 1.127 141 N CA -0.442 52.841 53.050 0.388 0.000 0.896 141 N CB 1.947 40.550 38.487 0.193 0.000 1.658 141 N HN 0.598 nan 8.380 nan 0.000 0.483 142 Q N 1.825 121.951 119.800 0.543 0.000 2.345 142 Q HA 0.799 5.126 4.340 -0.023 0.000 0.268 142 Q C -1.130 174.829 176.000 -0.069 0.000 1.054 142 Q CA -0.713 55.251 55.803 0.268 0.000 0.835 142 Q CB 1.466 30.245 28.738 0.070 0.000 1.339 142 Q HN 0.807 nan 8.270 nan 0.000 0.447 143 C N 0.121 119.160 119.300 -0.435 0.000 3.044 143 C HA 0.687 5.134 4.460 -0.023 0.000 0.315 143 C C -0.698 174.128 174.990 -0.273 0.000 1.320 143 C CA -0.790 57.774 59.018 -0.757 0.000 1.582 143 C CB 0.911 27.597 27.740 -1.757 0.000 2.039 143 C HN 1.043 nan 8.230 nan 0.000 0.466 144 H N -0.604 118.356 119.070 -0.184 0.000 2.463 144 H HA 0.691 5.234 4.556 -0.023 0.000 0.332 144 H C -0.822 174.493 175.328 -0.021 0.000 1.127 144 H CA -0.701 55.337 56.048 -0.016 0.000 1.238 144 H CB 1.811 31.631 29.762 0.097 0.000 1.478 144 H HN 0.567 nan 8.280 nan 0.000 0.499 145 V N 3.448 123.455 119.914 0.154 0.000 2.445 145 V HA 0.268 4.374 4.120 -0.023 0.000 0.283 145 V C -0.266 175.838 176.094 0.017 0.000 1.014 145 V CA -0.478 61.856 62.300 0.056 0.000 0.852 145 V CB 1.094 32.937 31.823 0.034 0.000 1.021 145 V HN 1.042 nan 8.190 nan 0.000 0.435 146 T N 1.508 116.044 114.554 -0.030 0.000 2.671 146 T HA 0.817 5.153 4.350 -0.023 0.000 0.300 146 T C -1.077 173.547 174.700 -0.127 0.000 1.238 146 T CA -0.834 61.206 62.100 -0.099 0.000 1.020 146 T CB 2.620 71.387 68.868 -0.168 0.000 1.503 146 T HN 0.861 nan 8.240 nan 0.000 0.497 147 N N -1.272 117.337 118.700 -0.151 0.000 2.935 147 N HA 0.286 5.012 4.740 -0.023 0.000 0.248 147 N C 0.206 175.639 175.510 -0.129 0.000 1.276 147 N CA -0.983 51.978 53.050 -0.148 0.000 0.906 147 N CB 0.340 38.750 38.487 -0.129 0.000 1.564 147 N HN 0.584 nan 8.380 nan 0.000 0.500 148 L N -0.389 120.786 121.223 -0.079 0.000 2.089 148 L HA -0.154 4.173 4.340 -0.023 0.000 0.213 148 L C 1.155 177.984 176.870 -0.067 0.000 1.079 148 L CA 1.327 56.142 54.840 -0.041 0.000 0.758 148 L CB -0.194 41.892 42.059 0.044 0.000 0.891 148 L HN 0.603 nan 8.230 nan 0.000 0.433 149 K N -0.637 119.713 120.400 -0.082 0.000 2.417 149 K HA 0.028 4.335 4.320 -0.023 0.000 0.196 149 K C -0.030 176.406 176.600 -0.273 0.000 1.023 149 K CA 0.091 56.308 56.287 -0.117 0.000 1.122 149 K CB -0.211 32.248 32.500 -0.067 0.000 0.850 149 K HN 0.156 nan 8.250 nan 0.000 0.521 150 D N 1.426 121.648 120.400 -0.296 0.000 2.792 150 D HA -0.202 4.424 4.640 -0.023 0.000 0.231 150 D C -0.201 175.820 176.300 -0.465 0.000 1.160 150 D CA 0.577 54.309 54.000 -0.448 0.000 0.697 150 D CB -1.335 38.995 40.800 -0.784 0.000 1.070 150 D HN 0.229 nan 8.370 nan 0.000 0.426 151 N N 0.990 119.536 118.700 -0.257 0.000 2.416 151 N HA 0.031 4.757 4.740 -0.023 0.000 0.265 151 N C -1.091 174.342 175.510 -0.129 0.000 1.195 151 N CA -1.165 51.786 53.050 -0.165 0.000 0.943 151 N CB 1.238 39.659 38.487 -0.110 0.000 1.115 151 N HN 0.043 nan 8.380 nan 0.000 0.481 152 P HA -0.115 nan 4.420 nan 0.000 0.218 152 P C 1.327 178.518 177.300 -0.181 0.000 1.149 152 P CA 0.804 63.837 63.100 -0.112 0.000 0.817 152 P CB 0.438 32.067 31.700 -0.118 0.000 0.785 153 V N 0.849 120.635 119.914 -0.214 0.000 2.358 153 V HA -0.214 3.892 4.120 -0.023 0.000 0.246 153 V C 3.024 179.039 176.094 -0.131 0.000 1.047 153 V CA 1.942 64.121 62.300 -0.201 0.000 1.035 153 V CB -1.557 30.154 31.823 -0.187 0.000 0.658 153 V HN 0.158 nan 8.190 nan 0.000 0.452 154 Q N -0.453 119.284 119.800 -0.105 0.000 2.123 154 Q HA -0.152 4.174 4.340 -0.023 0.000 0.199 154 Q C 2.320 178.277 176.000 -0.071 0.000 0.966 154 Q CA 1.369 57.124 55.803 -0.079 0.000 0.845 154 Q CB 0.034 28.730 28.738 -0.071 0.000 0.907 154 Q HN 0.504 nan 8.270 nan 0.000 0.439 155 I N 1.232 121.758 120.570 -0.074 0.000 2.099 155 I HA -0.287 3.869 4.170 -0.023 0.000 0.239 155 I C 2.506 178.600 176.117 -0.038 0.000 1.066 155 I CA 1.577 62.847 61.300 -0.049 0.000 1.324 155 I CB -1.753 36.226 38.000 -0.035 0.000 1.037 155 I HN 0.289 nan 8.210 nan 0.000 0.401 156 A N 0.993 123.781 122.820 -0.054 0.000 1.873 156 A HA -0.239 4.067 4.320 -0.023 0.000 0.218 156 A C 2.591 180.147 177.584 -0.048 0.000 1.193 156 A CA 2.824 54.830 52.037 -0.052 0.000 0.629 156 A CB -1.082 17.866 19.000 -0.087 0.000 0.826 156 A HN 0.472 nan 8.150 nan 0.000 0.447 157 A N -0.324 122.460 122.820 -0.061 0.000 1.865 157 A HA -0.240 4.066 4.320 -0.023 0.000 0.217 157 A C 1.849 179.416 177.584 -0.029 0.000 1.191 157 A CA 2.045 54.050 52.037 -0.053 0.000 0.623 157 A CB -0.754 18.206 19.000 -0.066 0.000 0.826 157 A HN 0.502 nan 8.150 nan 0.000 0.444 158 D N -0.111 120.275 120.400 -0.022 0.000 2.123 158 D HA -0.077 4.549 4.640 -0.023 0.000 0.196 158 D C 2.272 178.583 176.300 0.018 0.000 0.992 158 D CA 1.506 55.507 54.000 0.002 0.000 0.833 158 D CB -0.445 40.350 40.800 -0.007 0.000 0.954 158 D HN 0.426 nan 8.370 nan 0.000 0.455 159 A N 1.240 124.067 122.820 0.011 0.000 1.883 159 A HA -0.125 4.181 4.320 -0.023 0.000 0.217 159 A C 2.361 179.963 177.584 0.031 0.000 1.186 159 A CA 2.519 54.573 52.037 0.028 0.000 0.624 159 A CB -0.816 18.200 19.000 0.026 0.000 0.822 159 A HN 0.248 nan 8.150 nan 0.000 0.444 160 A N -0.300 122.526 122.820 0.011 0.000 1.865 160 A HA -0.246 4.060 4.320 -0.023 0.000 0.217 160 A C 2.071 179.656 177.584 0.003 0.000 1.191 160 A CA 2.049 54.089 52.037 0.004 0.000 0.623 160 A CB -0.705 18.288 19.000 -0.012 0.000 0.826 160 A HN 0.704 nan 8.150 nan 0.000 0.444 161 E N -0.205 119.994 120.200 -0.001 0.000 2.085 161 E HA -0.135 4.201 4.350 -0.023 0.000 0.194 161 E C 2.106 178.702 176.600 -0.007 0.000 0.994 161 E CA 1.178 57.568 56.400 -0.017 0.000 0.801 161 E CB -0.307 29.388 29.700 -0.009 0.000 0.743 161 E HN 0.531 nan 8.360 nan 0.000 0.453 162 A N 0.909 123.769 122.820 0.067 0.000 1.883 162 A HA -0.140 4.167 4.320 -0.023 0.000 0.217 162 A C 2.461 180.164 177.584 0.198 0.000 1.186 162 A CA 1.932 54.094 52.037 0.208 0.000 0.624 162 A CB -1.472 17.635 19.000 0.177 0.000 0.822 162 A HN 0.480 nan 8.150 nan 0.000 0.444 163 G N 0.866 109.728 108.800 0.102 0.000 2.459 163 G HA2 -0.269 3.678 3.960 -0.023 0.000 0.217 163 G HA3 -0.269 3.678 3.960 -0.023 0.000 0.217 163 G C 1.524 176.414 174.900 -0.017 0.000 1.183 163 G CA 1.422 46.555 45.100 0.054 0.000 0.776 163 G HN 0.957 nan 8.290 nan 0.000 0.552 164 I N -2.037 118.508 120.570 -0.042 0.000 2.756 164 I HA 0.095 4.251 4.170 -0.023 0.000 0.262 164 I C 2.504 178.541 176.117 -0.134 0.000 1.225 164 I CA 0.884 62.137 61.300 -0.078 0.000 1.472 164 I CB -0.170 37.788 38.000 -0.070 0.000 1.094 164 I HN -0.009 nan 8.210 nan 0.000 0.454 165 R N 1.279 121.674 120.500 -0.175 0.000 2.193 165 R HA 0.117 4.444 4.340 -0.023 0.000 0.213 165 R C 1.567 177.643 176.300 -0.372 0.000 1.055 165 R CA 0.989 56.900 56.100 -0.315 0.000 0.995 165 R CB 0.047 30.072 30.300 -0.459 0.000 0.893 165 R HN 0.707 nan 8.270 nan 0.000 0.459 166 G N -0.937 107.683 108.800 -0.299 0.000 2.318 166 G HA2 -0.190 3.757 3.960 -0.023 0.000 0.172 166 G HA3 -0.190 3.757 3.960 -0.023 0.000 0.172 166 G C -0.084 174.650 174.900 -0.277 0.000 1.002 166 G CA -0.781 44.140 45.100 -0.298 0.000 0.697 166 G HN 0.076 nan 8.290 nan 0.000 0.483 167 F N 2.360 122.271 119.950 -0.065 0.000 2.572 167 F HA 0.405 4.917 4.527 -0.023 0.000 0.370 167 F C 1.850 177.650 175.800 0.000 0.000 1.103 167 F CA 0.828 58.815 58.000 -0.022 0.000 1.286 167 F CB 1.504 40.494 39.000 -0.016 0.000 1.105 167 F HN 0.156 nan 8.300 nan 0.000 0.583 168 S N -0.098 115.739 115.700 0.227 0.000 2.497 168 S HA 0.213 4.669 4.470 -0.023 0.000 0.218 168 S C 0.232 174.911 174.600 0.132 0.000 1.023 168 S CA -0.199 58.083 58.200 0.136 0.000 0.913 168 S CB -0.029 63.235 63.200 0.106 0.000 0.800 168 S HN 0.672 nan 8.310 nan 0.000 0.505 169 E N 0.609 120.918 120.200 0.181 0.000 2.248 169 E HA 0.492 4.829 4.350 -0.023 0.000 0.267 169 E C -1.373 175.304 176.600 0.129 0.000 0.877 169 E CA -0.475 55.968 56.400 0.073 0.000 0.759 169 E CB 1.943 31.599 29.700 -0.073 0.000 1.182 169 E HN 0.305 nan 8.360 nan 0.000 0.418 170 Q N 1.647 121.548 119.800 0.168 0.000 2.347 170 Q HA 0.327 4.653 4.340 -0.023 0.000 0.271 170 Q C -1.345 174.755 176.000 0.167 0.000 1.064 170 Q CA -0.547 55.328 55.803 0.119 0.000 0.800 170 Q CB 2.826 31.625 28.738 0.101 0.000 1.304 170 Q HN 0.404 nan 8.270 nan 0.000 0.438 171 E N 1.666 121.949 120.200 0.138 0.000 2.234 171 E HA 0.473 4.809 4.350 -0.023 0.000 0.266 171 E C -1.486 175.234 176.600 0.201 0.000 0.877 171 E CA -0.240 56.249 56.400 0.148 0.000 0.758 171 E CB 2.058 31.835 29.700 0.128 0.000 1.170 171 E HN 0.503 nan 8.360 nan 0.000 0.415 172 T N 1.808 116.450 114.554 0.145 0.000 2.910 172 T HA 0.646 4.982 4.350 -0.023 0.000 0.287 172 T C -0.837 173.884 174.700 0.035 0.000 1.050 172 T CA -0.152 62.003 62.100 0.091 0.000 1.011 172 T CB 2.035 70.923 68.868 0.033 0.000 1.195 172 T HN 0.475 nan 8.240 nan 0.000 0.540 173 T N -0.174 114.285 114.554 -0.159 0.000 2.661 173 T HA 0.656 4.992 4.350 -0.023 0.000 0.305 173 T C -1.625 172.928 174.700 -0.243 0.000 1.441 173 T CA 0.051 62.001 62.100 -0.250 0.000 0.999 173 T CB 0.907 69.416 68.868 -0.598 0.000 1.650 173 T HN 1.108 nan 8.240 nan 0.000 0.489 174 V N -0.912 118.878 119.914 -0.206 0.000 3.130 174 V HA 0.925 5.031 4.120 -0.023 0.000 0.310 174 V C 0.957 176.975 176.094 -0.127 0.000 1.158 174 V CA 0.073 62.288 62.300 -0.141 0.000 1.029 174 V CB 1.342 33.150 31.823 -0.025 0.000 1.057 174 V HN 1.007 nan 8.190 nan 0.000 0.436 175 G N 0.674 109.418 108.800 -0.093 0.000 2.459 175 G HA2 0.251 4.198 3.960 -0.023 0.000 0.213 175 G HA3 0.251 4.198 3.960 -0.023 0.000 0.213 175 G C 0.432 175.334 174.900 0.002 0.000 1.155 175 G CA 0.263 45.327 45.100 -0.060 0.000 0.811 175 G HN 0.630 nan 8.290 nan 0.000 0.534 176 I N 1.145 121.758 120.570 0.073 0.000 2.354 176 I HA 0.361 4.517 4.170 -0.023 0.000 0.286 176 I C 1.505 177.683 176.117 0.101 0.000 1.007 176 I CA -0.769 60.600 61.300 0.116 0.000 1.167 176 I CB 1.978 40.119 38.000 0.236 0.000 1.320 176 I HN 0.115 nan 8.210 nan 0.000 0.458 177 A N 6.587 129.426 122.820 0.032 0.000 1.882 177 A HA -0.274 4.032 4.320 -0.023 0.000 0.220 177 A C 2.193 179.781 177.584 0.006 0.000 1.253 177 A CA 1.972 54.016 52.037 0.011 0.000 0.664 177 A CB -0.568 18.427 19.000 -0.009 0.000 0.838 177 A HN 0.778 nan 8.150 nan 0.000 0.460 178 R N -2.377 118.099 120.500 -0.040 0.000 2.350 178 R HA -0.209 4.117 4.340 -0.023 0.000 0.246 178 R C 1.632 177.834 176.300 -0.164 0.000 1.182 178 R CA 1.589 57.616 56.100 -0.121 0.000 1.030 178 R CB -0.438 29.752 30.300 -0.183 0.000 0.861 178 R HN 0.724 nan 8.270 nan 0.000 0.483 179 Y N -0.222 120.027 120.300 -0.086 0.000 2.519 179 Y HA 0.031 4.568 4.550 -0.023 0.000 0.287 179 Y C 2.214 178.089 175.900 -0.041 0.000 1.128 179 Y CA 0.263 58.319 58.100 -0.074 0.000 1.282 179 Y CB -0.278 38.178 38.460 -0.007 0.000 1.027 179 Y HN 0.077 nan 8.280 nan 0.000 0.551 180 A N 1.156 124.046 122.820 0.116 0.000 1.893 180 A HA -0.312 3.994 4.320 -0.023 0.000 0.222 180 A C 0.070 177.714 177.584 0.100 0.000 1.309 180 A CA 2.577 54.663 52.037 0.081 0.000 0.681 180 A CB -2.000 17.020 19.000 0.033 0.000 0.842 180 A HN 0.307 nan 8.150 nan 0.000 0.468 181 P HA -0.187 nan 4.420 nan 0.000 0.217 181 P C 1.285 178.745 177.300 0.266 0.000 1.162 181 P CA 1.616 64.763 63.100 0.078 0.000 0.901 181 P CB -0.206 31.463 31.700 -0.053 0.000 0.793 182 F N -0.524 119.504 119.950 0.129 0.000 2.113 182 F HA -0.112 4.401 4.527 -0.023 0.000 0.297 182 F C 2.202 178.098 175.800 0.161 0.000 1.103 182 F CA 0.717 58.831 58.000 0.191 0.000 1.248 182 F CB -1.800 37.399 39.000 0.333 0.000 0.999 182 F HN 0.008 nan 8.300 nan 0.000 0.475 183 N N 0.113 119.012 118.700 0.331 0.000 2.104 183 N HA -0.179 4.547 4.740 -0.023 0.000 0.190 183 N C 1.939 177.527 175.510 0.130 0.000 1.024 183 N CA 1.303 54.452 53.050 0.165 0.000 0.853 183 N CB -0.196 38.345 38.487 0.091 0.000 1.008 183 N HN 0.208 nan 8.380 nan 0.000 0.424 184 A N 1.657 124.559 122.820 0.135 0.000 1.969 184 A HA -0.067 4.240 4.320 -0.023 0.000 0.218 184 A C 2.204 179.859 177.584 0.117 0.000 1.169 184 A CA 0.633 52.735 52.037 0.109 0.000 0.635 184 A CB -0.520 18.538 19.000 0.097 0.000 0.810 184 A HN 0.260 nan 8.150 nan 0.000 0.445 185 L N -0.599 120.715 121.223 0.151 0.000 1.973 185 L HA -0.155 4.171 4.340 -0.023 0.000 0.208 185 L C 2.942 179.877 176.870 0.108 0.000 1.073 185 L CA 1.610 56.531 54.840 0.136 0.000 0.746 185 L CB -0.638 41.526 42.059 0.175 0.000 0.891 185 L HN 0.403 nan 8.230 nan 0.000 0.433 186 A N -0.154 122.735 122.820 0.115 0.000 1.917 186 A HA -0.301 4.005 4.320 -0.023 0.000 0.219 186 A C 2.135 179.743 177.584 0.040 0.000 1.182 186 A CA 2.184 54.254 52.037 0.055 0.000 0.633 186 A CB -0.981 18.035 19.000 0.028 0.000 0.819 186 A HN 0.515 nan 8.150 nan 0.000 0.448 187 L N -1.063 120.195 121.223 0.058 0.000 2.046 187 L HA -0.118 4.208 4.340 -0.023 0.000 0.208 187 L C 2.240 179.151 176.870 0.069 0.000 1.077 187 L CA 2.000 56.875 54.840 0.059 0.000 0.747 187 L CB -0.541 41.560 42.059 0.071 0.000 0.896 187 L HN 0.365 nan 8.230 nan 0.000 0.432 188 L N -1.450 119.820 121.223 0.079 0.000 2.027 188 L HA -0.120 4.206 4.340 -0.023 0.000 0.206 188 L C 2.362 179.270 176.870 0.065 0.000 1.074 188 L CA 1.758 56.649 54.840 0.085 0.000 0.745 188 L CB -0.663 41.449 42.059 0.089 0.000 0.898 188 L HN 0.104 nan 8.230 nan 0.000 0.433 189 V N -0.158 119.780 119.914 0.041 0.000 2.307 189 V HA -0.156 3.950 4.120 -0.023 0.000 0.245 189 V C 2.590 178.682 176.094 -0.004 0.000 1.045 189 V CA 1.726 64.030 62.300 0.007 0.000 1.024 189 V CB -1.525 30.281 31.823 -0.029 0.000 0.651 189 V HN 0.599 nan 8.190 nan 0.000 0.449 190 G N 0.229 109.026 108.800 -0.004 0.000 2.422 190 G HA2 -0.283 3.663 3.960 -0.023 0.000 0.218 190 G HA3 -0.283 3.663 3.960 -0.023 0.000 0.218 190 G C 1.883 176.793 174.900 0.017 0.000 1.146 190 G CA 1.430 46.525 45.100 -0.008 0.000 0.769 190 G HN 0.637 nan 8.290 nan 0.000 0.547 191 S N 0.082 115.806 115.700 0.040 0.000 2.368 191 S HA -0.117 4.339 4.470 -0.023 0.000 0.225 191 S C 2.099 176.730 174.600 0.052 0.000 1.030 191 S CA 1.449 59.682 58.200 0.055 0.000 0.999 191 S CB -0.254 62.995 63.200 0.080 0.000 0.844 191 S HN 0.282 nan 8.310 nan 0.000 0.459 192 Q N 0.193 120.031 119.800 0.063 0.000 2.435 192 Q HA 0.194 4.520 4.340 -0.023 0.000 0.207 192 Q C 2.192 178.228 176.000 0.061 0.000 0.956 192 Q CA 0.528 56.380 55.803 0.081 0.000 0.917 192 Q CB -1.082 27.728 28.738 0.121 0.000 0.997 192 Q HN 0.701 nan 8.270 nan 0.000 0.497 193 C N -0.757 118.564 119.300 0.036 0.000 2.492 193 C HA 0.119 4.565 4.460 -0.023 0.000 0.279 193 C C 2.516 177.518 174.990 0.020 0.000 1.335 193 C CA 0.523 59.559 59.018 0.030 0.000 1.734 193 C CB -0.918 26.825 27.740 0.005 0.000 2.027 193 C HN 0.624 nan 8.230 nan 0.000 0.496 194 G N -0.355 108.452 108.800 0.012 0.000 2.496 194 G HA2 -0.024 3.922 3.960 -0.023 0.000 0.214 194 G HA3 -0.024 3.922 3.960 -0.023 0.000 0.214 194 G C 0.845 175.739 174.900 -0.010 0.000 1.234 194 G CA 0.545 45.646 45.100 0.001 0.000 0.807 194 G HN 0.379 nan 8.290 nan 0.000 0.543 195 R N 0.720 121.211 120.500 -0.015 0.000 2.518 195 R HA 0.292 4.618 4.340 -0.023 0.000 0.296 195 R C -2.997 173.255 176.300 -0.080 0.000 1.080 195 R CA -2.099 53.972 56.100 -0.048 0.000 0.922 195 R CB 2.100 32.367 30.300 -0.056 0.000 1.184 195 R HN 0.130 nan 8.270 nan 0.000 0.445 196 P HA 0.077 nan 4.420 nan 0.000 0.264 196 P C 0.447 177.415 177.300 -0.553 0.000 1.193 196 P CA 0.903 63.866 63.100 -0.228 0.000 0.763 196 P CB 0.797 32.399 31.700 -0.164 0.000 0.810 197 G N 1.599 110.097 108.800 -0.502 0.000 2.192 197 G HA2 -0.173 3.773 3.960 -0.023 0.000 0.193 197 G HA3 -0.173 3.773 3.960 -0.023 0.000 0.193 197 G C -0.117 174.721 174.900 -0.104 0.000 0.999 197 G CA -0.326 44.509 45.100 -0.442 0.000 0.659 197 G HN 0.512 nan 8.290 nan 0.000 0.503 198 V N 3.011 122.902 119.914 -0.038 0.000 2.479 198 V HA 0.348 4.454 4.120 -0.023 0.000 0.281 198 V C 0.945 177.086 176.094 0.078 0.000 1.031 198 V CA -0.402 61.915 62.300 0.030 0.000 1.038 198 V CB 1.096 32.950 31.823 0.051 0.000 0.981 198 V HN 0.269 nan 8.190 nan 0.000 0.478 199 L N 5.700 126.953 121.223 0.050 0.000 2.397 199 L HA 0.476 4.802 4.340 -0.023 0.000 0.271 199 L C 0.584 177.588 176.870 0.222 0.000 1.148 199 L CA 0.567 55.439 54.840 0.053 0.000 0.825 199 L CB 1.032 42.907 42.059 -0.306 0.000 1.117 199 L HN 0.917 nan 8.230 nan 0.000 0.456 200 T N 0.582 115.381 114.554 0.407 0.000 2.912 200 T HA 0.755 5.091 4.350 -0.023 0.000 0.299 200 T C -0.672 174.186 174.700 0.263 0.000 1.052 200 T CA -0.925 61.404 62.100 0.381 0.000 0.996 200 T CB 2.124 71.115 68.868 0.205 0.000 1.070 200 T HN 0.600 nan 8.240 nan 0.000 0.465 201 Q N 0.399 120.209 119.800 0.018 0.000 2.451 201 Q HA 0.743 5.069 4.340 -0.023 0.000 0.281 201 Q C -1.427 174.525 176.000 -0.080 0.000 1.099 201 Q CA -1.218 54.434 55.803 -0.251 0.000 0.806 201 Q CB 2.041 30.308 28.738 -0.784 0.000 1.419 201 Q HN 0.743 nan 8.270 nan 0.000 0.427 202 C N 1.837 121.098 119.300 -0.065 0.000 2.455 202 C HA 0.530 4.976 4.460 -0.023 0.000 0.321 202 C C -0.563 174.425 174.990 -0.004 0.000 1.102 202 C CA -0.278 58.739 59.018 -0.001 0.000 1.413 202 C CB 0.191 27.945 27.740 0.025 0.000 1.952 202 C HN 0.798 nan 8.230 nan 0.000 0.428 203 S N 4.521 120.240 115.700 0.033 0.000 2.423 203 S HA 0.443 4.899 4.470 -0.023 0.000 0.302 203 S C 0.401 175.025 174.600 0.040 0.000 1.143 203 S CA -0.181 58.050 58.200 0.052 0.000 1.080 203 S CB -0.026 63.273 63.200 0.166 0.000 1.081 203 S HN 0.951 nan 8.310 nan 0.000 0.522 204 V N 0.011 119.941 119.914 0.027 0.000 3.109 204 V HA 0.596 4.702 4.120 -0.023 0.000 0.311 204 V C -0.075 176.037 176.094 0.031 0.000 1.389 204 V CA -1.267 61.045 62.300 0.022 0.000 1.034 204 V CB 0.768 32.600 31.823 0.014 0.000 1.105 204 V HN 0.475 nan 8.190 nan 0.000 0.477 205 E N 0.422 120.638 120.200 0.028 0.000 2.415 205 E HA -0.004 4.332 4.350 -0.023 0.000 0.263 205 E C 0.814 177.443 176.600 0.048 0.000 0.995 205 E CA 0.375 56.796 56.400 0.035 0.000 0.915 205 E CB 1.291 31.005 29.700 0.024 0.000 0.951 205 E HN 0.732 nan 8.360 nan 0.000 0.449 206 E N 4.012 124.250 120.200 0.062 0.000 2.110 206 E HA -0.301 4.036 4.350 -0.023 0.000 0.225 206 E C 1.675 178.322 176.600 0.078 0.000 1.063 206 E CA 2.915 59.367 56.400 0.087 0.000 0.906 206 E CB -0.529 29.226 29.700 0.092 0.000 0.795 206 E HN 0.686 nan 8.360 nan 0.000 0.479 207 A N -0.700 122.152 122.820 0.053 0.000 1.883 207 A HA -0.230 4.076 4.320 -0.023 0.000 0.217 207 A C 2.477 180.072 177.584 0.018 0.000 1.186 207 A CA 2.504 54.559 52.037 0.030 0.000 0.624 207 A CB -1.104 17.911 19.000 0.025 0.000 0.822 207 A HN 0.375 nan 8.150 nan 0.000 0.444 208 T N -0.695 113.873 114.554 0.023 0.000 2.759 208 T HA -0.156 4.180 4.350 -0.023 0.000 0.269 208 T C 1.822 176.540 174.700 0.029 0.000 1.042 208 T CA 1.640 63.751 62.100 0.017 0.000 1.140 208 T CB -0.176 68.700 68.868 0.013 0.000 0.864 208 T HN 0.678 nan 8.240 nan 0.000 0.455 209 E N 0.039 120.273 120.200 0.056 0.000 2.158 209 E HA -0.040 4.296 4.350 -0.023 0.000 0.191 209 E C 2.071 178.745 176.600 0.124 0.000 0.982 209 E CA 0.385 56.840 56.400 0.091 0.000 0.823 209 E CB -0.071 29.696 29.700 0.112 0.000 0.766 209 E HN 0.267 nan 8.360 nan 0.000 0.468 210 L N 1.451 122.707 121.223 0.055 0.000 2.093 210 L HA -0.135 4.191 4.340 -0.023 0.000 0.208 210 L C 2.058 178.863 176.870 -0.109 0.000 1.085 210 L CA 1.787 56.519 54.840 -0.181 0.000 0.755 210 L CB -0.259 41.594 42.059 -0.343 0.000 0.904 210 L HN 0.105 nan 8.230 nan 0.000 0.435 211 E N -0.501 119.673 120.200 -0.043 0.000 2.028 211 E HA -0.221 4.115 4.350 -0.023 0.000 0.191 211 E C 2.267 178.869 176.600 0.003 0.000 0.988 211 E CA 1.534 57.919 56.400 -0.025 0.000 0.799 211 E CB -0.224 29.468 29.700 -0.013 0.000 0.755 211 E HN 0.554 nan 8.360 nan 0.000 0.447 212 L N 0.120 121.359 121.223 0.026 0.000 2.021 212 L HA -0.212 4.114 4.340 -0.023 0.000 0.215 212 L C 2.602 179.510 176.870 0.062 0.000 1.074 212 L CA 1.506 56.373 54.840 0.044 0.000 0.760 212 L CB -0.732 41.359 42.059 0.054 0.000 0.889 212 L HN 0.328 nan 8.230 nan 0.000 0.433 213 G N -0.719 108.135 108.800 0.089 0.000 2.422 213 G HA2 -0.241 3.705 3.960 -0.023 0.000 0.218 213 G HA3 -0.241 3.705 3.960 -0.023 0.000 0.218 213 G C 1.579 176.526 174.900 0.078 0.000 1.146 213 G CA 0.545 45.719 45.100 0.124 0.000 0.769 213 G HN 0.251 nan 8.290 nan 0.000 0.547 214 M N 0.007 119.621 119.600 0.023 0.000 2.460 214 M HA 0.058 4.525 4.480 -0.023 0.000 0.263 214 M C 2.094 178.406 176.300 0.020 0.000 1.071 214 M CA 0.789 56.092 55.300 0.005 0.000 1.096 214 M CB 0.045 32.624 32.600 -0.034 0.000 1.408 214 M HN 0.109 nan 8.290 nan 0.000 0.463 215 R N 0.036 120.553 120.500 0.028 0.000 2.359 215 R HA 0.200 4.526 4.340 -0.023 0.000 0.231 215 R C 1.004 177.328 176.300 0.041 0.000 0.913 215 R CA 0.390 56.507 56.100 0.028 0.000 1.075 215 R CB 0.165 30.479 30.300 0.023 0.000 1.087 215 R HN 0.487 nan 8.270 nan 0.000 0.515 216 G N 1.420 110.254 108.800 0.056 0.000 2.179 216 G HA2 -0.267 3.679 3.960 -0.023 0.000 0.257 216 G HA3 -0.267 3.679 3.960 -0.023 0.000 0.257 216 G C 0.531 175.475 174.900 0.074 0.000 1.010 216 G CA 0.033 45.173 45.100 0.067 0.000 0.736 216 G HN 0.333 nan 8.290 nan 0.000 0.513 217 L N 0.253 121.523 121.223 0.078 0.000 2.567 217 L HA 0.257 4.584 4.340 -0.023 0.000 0.225 217 L C 1.577 178.506 176.870 0.098 0.000 1.119 217 L CA 1.212 56.102 54.840 0.083 0.000 0.871 217 L CB 0.032 42.137 42.059 0.078 0.000 1.036 217 L HN 0.566 nan 8.230 nan 0.000 0.459 218 T N -5.256 109.365 114.554 0.112 0.000 2.883 218 T HA 0.343 4.679 4.350 -0.023 0.000 0.296 218 T C 0.477 175.285 174.700 0.181 0.000 1.117 218 T CA -0.057 62.121 62.100 0.131 0.000 1.006 218 T CB 1.913 70.838 68.868 0.094 0.000 1.191 218 T HN -0.031 nan 8.240 nan 0.000 0.508 219 S N -0.804 115.047 115.700 0.252 0.000 2.578 219 S HA 0.392 4.848 4.470 -0.023 0.000 0.228 219 S C -0.054 174.796 174.600 0.416 0.000 1.022 219 S CA -0.318 58.083 58.200 0.334 0.000 0.967 219 S CB -0.615 62.788 63.200 0.338 0.000 0.914 219 S HN 1.183 nan 8.310 nan 0.000 0.515 220 Y N -1.123 119.213 120.300 0.060 0.000 2.702 220 Y HA 0.780 5.316 4.550 -0.023 0.000 0.336 220 Y C -1.611 174.219 175.900 -0.117 0.000 1.203 220 Y CA -1.683 56.374 58.100 -0.072 0.000 1.072 220 Y CB 0.652 39.027 38.460 -0.142 0.000 1.327 220 Y HN 0.203 nan 8.280 nan 0.000 0.456 221 A N 1.250 123.805 122.820 -0.443 0.000 2.414 221 A HA 0.682 4.988 4.320 -0.023 0.000 0.306 221 A C -0.175 177.132 177.584 -0.462 0.000 1.054 221 A CA 0.006 51.696 52.037 -0.578 0.000 0.724 221 A CB 1.887 20.492 19.000 -0.658 0.000 1.267 221 A HN 1.023 nan 8.150 nan 0.000 0.418 222 E N 0.888 120.847 120.200 -0.402 0.000 2.406 222 E HA -0.031 4.305 4.350 -0.023 0.000 0.204 222 E C 0.807 177.313 176.600 -0.157 0.000 0.820 222 E CA 0.930 57.193 56.400 -0.229 0.000 1.136 222 E CB 0.450 30.027 29.700 -0.205 0.000 1.129 222 E HN 0.703 nan 8.360 nan 0.000 0.530 223 T N 0.398 114.860 114.554 -0.154 0.000 3.667 223 T HA 0.182 4.518 4.350 -0.023 0.000 0.240 223 T C 0.228 174.879 174.700 -0.082 0.000 0.919 223 T CA -0.268 61.768 62.100 -0.106 0.000 0.928 223 T CB -0.356 68.472 68.868 -0.067 0.000 1.151 223 T HN -0.079 nan 8.240 nan 0.000 0.644 224 V N 3.108 122.981 119.914 -0.068 0.000 2.222 224 V HA 0.243 4.349 4.120 -0.023 0.000 0.253 224 V C 1.125 177.115 176.094 -0.173 0.000 1.210 224 V CA -0.759 61.524 62.300 -0.028 0.000 1.079 224 V CB -1.105 30.775 31.823 0.095 0.000 1.265 224 V HN 0.864 nan 8.190 nan 0.000 0.494 225 S N 4.009 119.573 115.700 -0.227 0.000 2.566 225 S HA 0.430 4.887 4.470 -0.023 0.000 0.280 225 S C -0.361 173.829 174.600 -0.685 0.000 1.343 225 S CA -0.361 57.562 58.200 -0.463 0.000 1.036 225 S CB 1.425 64.359 63.200 -0.445 0.000 0.866 225 S HN 0.356 nan 8.310 nan 0.000 0.526 226 V N 2.745 122.063 119.914 -0.993 0.000 2.888 226 V HA 0.569 4.675 4.120 -0.023 0.000 0.309 226 V C -1.547 173.772 176.094 -1.291 0.000 1.114 226 V CA -0.759 60.910 62.300 -1.051 0.000 0.940 226 V CB 1.866 33.261 31.823 -0.712 0.000 1.021 226 V HN 0.961 nan 8.190 nan 0.000 0.426 227 Y N 0.826 120.412 120.300 -1.191 0.000 2.576 227 Y HA 0.609 5.145 4.550 -0.022 0.000 0.346 227 Y C 1.189 176.851 175.900 -0.397 0.000 1.018 227 Y CA -0.406 57.286 58.100 -0.679 0.000 1.050 227 Y CB 2.074 40.166 38.460 -0.614 0.000 1.280 227 Y HN 0.626 nan 8.280 nan 0.000 0.474 228 G N -0.322 108.452 108.800 -0.043 0.000 2.813 228 G HA2 0.177 4.123 3.960 -0.023 0.000 0.209 228 G HA3 0.177 4.123 3.960 -0.023 0.000 0.209 228 G C 0.067 174.995 174.900 0.046 0.000 1.150 228 G CA 0.805 45.892 45.100 -0.021 0.000 0.785 228 G HN 0.616 nan 8.290 nan 0.000 0.535 229 T N -3.970 110.635 114.554 0.085 0.000 2.909 229 T HA 0.455 4.791 4.350 -0.023 0.000 0.299 229 T C 0.521 175.297 174.700 0.126 0.000 1.073 229 T CA -0.548 61.613 62.100 0.100 0.000 0.999 229 T CB 2.623 71.539 68.868 0.080 0.000 1.098 229 T HN 0.027 nan 8.240 nan 0.000 0.477 230 E N 1.054 121.320 120.200 0.109 0.000 2.070 230 E HA -0.196 4.140 4.350 -0.023 0.000 0.197 230 E C 2.406 178.995 176.600 -0.018 0.000 1.004 230 E CA 1.594 58.042 56.400 0.080 0.000 0.805 230 E CB -0.364 29.356 29.700 0.034 0.000 0.744 230 E HN 0.827 nan 8.360 nan 0.000 0.451 231 A N 0.630 123.373 122.820 -0.129 0.000 1.917 231 A HA -0.188 4.118 4.320 -0.023 0.000 0.219 231 A C 2.448 179.793 177.584 -0.399 0.000 1.182 231 A CA 1.546 53.343 52.037 -0.399 0.000 0.633 231 A CB -0.593 17.966 19.000 -0.734 0.000 0.819 231 A HN 0.151 nan 8.150 nan 0.000 0.448 232 V N -1.822 117.958 119.914 -0.223 0.000 2.407 232 V HA -0.137 3.969 4.120 -0.023 0.000 0.245 232 V C 2.212 178.063 176.094 -0.405 0.000 1.041 232 V CA 1.583 63.718 62.300 -0.276 0.000 1.040 232 V CB -0.903 30.803 31.823 -0.196 0.000 0.671 232 V HN 0.525 nan 8.190 nan 0.000 0.455 233 F N 1.648 121.417 119.950 -0.303 0.000 2.154 233 F HA -0.210 4.303 4.527 -0.023 0.000 0.301 233 F C 2.465 178.137 175.800 -0.214 0.000 1.087 233 F CA 2.108 59.986 58.000 -0.203 0.000 1.274 233 F CB -0.809 38.167 39.000 -0.041 0.000 1.009 233 F HN 0.138 nan 8.300 nan 0.000 0.485 234 T N -1.020 113.543 114.554 0.016 0.000 2.857 234 T HA -0.136 4.200 4.350 -0.023 0.000 0.266 234 T C 1.350 175.991 174.700 -0.099 0.000 1.048 234 T CA 1.465 63.533 62.100 -0.053 0.000 1.139 234 T CB -0.230 68.575 68.868 -0.105 0.000 0.874 234 T HN 0.110 nan 8.240 nan 0.000 0.455 235 D N 0.724 121.018 120.400 -0.176 0.000 2.363 235 D HA 0.090 4.717 4.640 -0.023 0.000 0.220 235 D C 2.018 178.209 176.300 -0.182 0.000 0.994 235 D CA 0.265 54.169 54.000 -0.161 0.000 0.890 235 D CB -0.283 40.422 40.800 -0.158 0.000 0.906 235 D HN 0.475 nan 8.370 nan 0.000 0.530 236 G N -0.063 108.586 108.800 -0.253 0.000 2.939 236 G HA2 -0.090 3.856 3.960 -0.023 0.000 0.210 236 G HA3 -0.090 3.856 3.960 -0.023 0.000 0.210 236 G C 0.263 175.179 174.900 0.026 0.000 1.160 236 G CA -0.065 44.912 45.100 -0.205 0.000 0.770 236 G HN 0.015 nan 8.290 nan 0.000 0.543 237 D N -0.089 120.321 120.400 0.016 0.000 2.775 237 D HA -0.099 4.528 4.640 -0.023 0.000 0.235 237 D C -0.502 175.851 176.300 0.087 0.000 1.120 237 D CA 0.916 54.939 54.000 0.038 0.000 0.708 237 D CB -0.918 39.898 40.800 0.026 0.000 1.084 237 D HN 0.323 nan 8.370 nan 0.000 0.434 238 D N -1.621 118.874 120.400 0.158 0.000 2.677 238 D HA 0.599 5.226 4.640 -0.023 0.000 0.298 238 D C -0.387 175.813 176.300 -0.167 0.000 1.250 238 D CA -0.154 53.923 54.000 0.130 0.000 0.888 238 D CB 1.641 42.630 40.800 0.317 0.000 1.397 238 D HN -0.058 nan 8.370 nan 0.000 0.461 239 T N -0.084 114.197 114.554 -0.455 0.000 2.883 239 T HA 0.377 4.713 4.350 -0.023 0.000 0.301 239 T C -2.049 172.123 174.700 -0.880 0.000 1.158 239 T CA -1.151 60.461 62.100 -0.814 0.000 1.007 239 T CB 2.177 70.888 68.868 -0.262 0.000 1.186 239 T HN -0.008 nan 8.240 nan 0.000 0.499 240 P HA -0.025 nan 4.420 nan 0.000 0.218 240 P C 1.158 177.909 177.300 -0.915 0.000 1.148 240 P CA 0.985 63.474 63.100 -1.018 0.000 0.822 240 P CB 0.182 31.108 31.700 -1.291 0.000 0.784 241 W N -0.202 120.837 121.300 -0.436 0.000 2.476 241 W HA -0.043 4.604 4.660 -0.022 0.000 0.281 241 W C 2.427 178.899 176.519 -0.078 0.000 1.230 241 W CA 1.617 58.847 57.345 -0.192 0.000 1.287 241 W CB -0.915 28.482 29.460 -0.105 0.000 1.108 241 W HN 0.103 nan 8.180 nan 0.000 0.567 242 S N 0.119 115.868 115.700 0.082 0.000 2.371 242 S HA -0.103 4.354 4.470 -0.023 0.000 0.224 242 S C 1.735 176.419 174.600 0.140 0.000 1.029 242 S CA 0.690 58.955 58.200 0.109 0.000 0.978 242 S CB -0.442 62.784 63.200 0.043 0.000 0.833 242 S HN -0.038 nan 8.310 nan 0.000 0.466 243 K N 1.686 122.104 120.400 0.030 0.000 2.217 243 K HA 0.260 4.566 4.320 -0.023 0.000 0.202 243 K C 2.338 179.037 176.600 0.164 0.000 1.051 243 K CA 1.072 57.403 56.287 0.073 0.000 0.952 243 K CB -0.780 31.696 32.500 -0.040 0.000 0.736 243 K HN 0.494 nan 8.250 nan 0.000 0.453 244 A N 0.493 123.344 122.820 0.052 0.000 1.872 244 A HA -0.140 4.166 4.320 -0.023 0.000 0.214 244 A C 2.067 179.754 177.584 0.171 0.000 1.187 244 A CA 0.971 53.062 52.037 0.089 0.000 0.614 244 A CB -0.681 18.274 19.000 -0.074 0.000 0.826 244 A HN 0.282 nan 8.150 nan 0.000 0.442 245 F N 0.536 120.525 119.950 0.065 0.000 2.069 245 F HA -0.202 4.312 4.527 -0.023 0.000 0.298 245 F C 1.887 177.742 175.800 0.092 0.000 1.113 245 F CA 1.907 59.958 58.000 0.085 0.000 1.214 245 F CB -0.532 38.517 39.000 0.082 0.000 0.978 245 F HN 0.199 nan 8.300 nan 0.000 0.474 246 L N 0.930 122.228 121.223 0.125 0.000 2.081 246 L HA -0.170 4.156 4.340 -0.023 0.000 0.212 246 L C 2.389 179.316 176.870 0.095 0.000 1.080 246 L CA 2.181 57.048 54.840 0.045 0.000 0.754 246 L CB -1.451 40.725 42.059 0.195 0.000 0.893 246 L HN 0.231 nan 8.230 nan 0.000 0.433 247 A N -1.663 121.249 122.820 0.153 0.000 1.877 247 A HA -0.185 4.121 4.320 -0.023 0.000 0.216 247 A C 2.378 179.985 177.584 0.039 0.000 1.186 247 A CA 1.957 54.074 52.037 0.132 0.000 0.620 247 A CB -1.014 18.011 19.000 0.042 0.000 0.822 247 A HN 0.512 nan 8.150 nan 0.000 0.443 248 S N -0.291 115.380 115.700 -0.048 0.000 2.442 248 S HA 0.039 4.495 4.470 -0.023 0.000 0.236 248 S C 2.138 176.630 174.600 -0.180 0.000 1.007 248 S CA 0.924 59.070 58.200 -0.090 0.000 0.965 248 S CB -0.336 62.817 63.200 -0.079 0.000 0.773 248 S HN 0.763 nan 8.310 nan 0.000 0.504 249 A N 0.472 123.098 122.820 -0.322 0.000 1.873 249 A HA -0.049 4.258 4.320 -0.023 0.000 0.215 249 A C 1.823 179.297 177.584 -0.184 0.000 1.186 249 A CA 1.183 52.995 52.037 -0.375 0.000 0.616 249 A CB -0.893 17.792 19.000 -0.525 0.000 0.823 249 A HN 0.496 nan 8.150 nan 0.000 0.442 250 Y N 0.023 120.256 120.300 -0.111 0.000 2.114 250 Y HA -0.151 4.385 4.550 -0.022 0.000 0.284 250 Y C 2.986 178.865 175.900 -0.035 0.000 1.143 250 Y CA 1.312 59.380 58.100 -0.053 0.000 1.135 250 Y CB -0.608 37.827 38.460 -0.042 0.000 0.980 250 Y HN 0.323 nan 8.280 nan 0.000 0.499 251 A N -0.617 122.276 122.820 0.123 0.000 1.940 251 A HA -0.244 4.062 4.320 -0.023 0.000 0.219 251 A C 2.409 180.019 177.584 0.045 0.000 1.176 251 A CA 2.015 54.091 52.037 0.066 0.000 0.631 251 A CB -1.209 17.808 19.000 0.027 0.000 0.814 251 A HN 0.467 nan 8.150 nan 0.000 0.446 252 S N -1.403 114.299 115.700 0.004 0.000 2.500 252 S HA -0.099 4.357 4.470 -0.023 0.000 0.239 252 S C 1.637 176.242 174.600 0.008 0.000 0.989 252 S CA 1.383 59.577 58.200 -0.009 0.000 0.951 252 S CB -0.207 62.960 63.200 -0.056 0.000 0.759 252 S HN 0.424 nan 8.310 nan 0.000 0.523 253 R N -0.184 120.333 120.500 0.027 0.000 2.437 253 R HA 0.397 4.723 4.340 -0.023 0.000 0.257 253 R C 1.467 177.820 176.300 0.088 0.000 0.927 253 R CA 0.478 56.604 56.100 0.042 0.000 1.078 253 R CB 0.224 30.540 30.300 0.026 0.000 1.161 253 R HN 0.496 nan 8.270 nan 0.000 0.529 254 G N 0.275 109.141 108.800 0.110 0.000 2.157 254 G HA2 -0.258 3.689 3.960 -0.023 0.000 0.248 254 G HA3 -0.258 3.689 3.960 -0.023 0.000 0.248 254 G C -0.170 174.891 174.900 0.268 0.000 0.979 254 G CA -0.104 45.094 45.100 0.162 0.000 0.650 254 G HN 0.193 nan 8.290 nan 0.000 0.529 255 L N 0.963 122.321 121.223 0.224 0.000 2.305 255 L HA 0.396 4.722 4.340 -0.023 0.000 0.281 255 L C 1.061 177.942 176.870 0.019 0.000 1.085 255 L CA -0.635 54.341 54.840 0.227 0.000 0.813 255 L CB 1.207 43.455 42.059 0.314 0.000 1.157 255 L HN 0.223 nan 8.230 nan 0.000 0.436 256 K N 4.835 125.071 120.400 -0.272 0.000 2.326 256 K HA 0.457 4.764 4.320 -0.023 0.000 0.275 256 K C -0.649 175.813 176.600 -0.231 0.000 1.018 256 K CA -0.275 55.733 56.287 -0.465 0.000 0.962 256 K CB 0.711 32.636 32.500 -0.959 0.000 0.953 256 K HN 0.579 nan 8.250 nan 0.000 0.475 257 M N 1.506 120.971 119.600 -0.226 0.000 2.643 257 M HA 0.419 4.885 4.480 -0.023 0.000 0.276 257 M C -1.671 174.506 176.300 -0.205 0.000 1.200 257 M CA -0.730 54.414 55.300 -0.260 0.000 0.863 257 M CB 1.635 33.932 32.600 -0.506 0.000 1.711 257 M HN 0.684 nan 8.290 nan 0.000 0.492 258 R N 0.118 120.513 120.500 -0.174 0.000 2.817 258 R HA 0.690 5.016 4.340 -0.023 0.000 0.268 258 R C -1.522 174.761 176.300 -0.028 0.000 1.027 258 R CA -0.956 55.060 56.100 -0.141 0.000 0.928 258 R CB 1.377 31.617 30.300 -0.100 0.000 1.228 258 R HN 0.821 nan 8.270 nan 0.000 0.469 259 Y N -0.004 120.216 120.300 -0.133 0.000 2.408 259 Y HA 0.390 4.926 4.550 -0.023 0.000 0.324 259 Y C 0.129 175.930 175.900 -0.164 0.000 1.302 259 Y CA -0.889 57.124 58.100 -0.144 0.000 1.384 259 Y CB 2.552 40.934 38.460 -0.130 0.000 1.367 259 Y HN 0.492 nan 8.280 nan 0.000 0.525 260 T N 1.044 115.561 114.554 -0.061 0.000 2.971 260 T HA 0.380 4.717 4.350 -0.023 0.000 0.304 260 T C -0.831 173.704 174.700 -0.274 0.000 1.038 260 T CA -0.757 61.253 62.100 -0.151 0.000 1.007 260 T CB 1.456 70.227 68.868 -0.161 0.000 1.055 260 T HN 0.778 nan 8.240 nan 0.000 0.451 261 S N 1.568 117.129 115.700 -0.231 0.000 3.629 261 S HA 1.008 5.464 4.470 -0.023 0.000 0.319 261 S C -0.078 174.410 174.600 -0.188 0.000 1.149 261 S CA -0.309 57.717 58.200 -0.289 0.000 1.099 261 S CB 1.261 64.309 63.200 -0.255 0.000 1.433 261 S HN 1.695 nan 8.310 nan 0.000 0.736 262 G N 0.978 109.689 108.800 -0.148 0.000 2.435 262 G HA2 0.408 4.354 3.960 -0.023 0.000 0.603 262 G HA3 0.408 4.354 3.960 -0.023 0.000 0.603 262 G C -0.386 174.469 174.900 -0.074 0.000 1.496 262 G CA -0.360 44.680 45.100 -0.101 0.000 0.896 262 G HN 1.604 nan 8.290 nan 0.000 0.657 263 T N -0.193 114.327 114.554 -0.057 0.000 2.939 263 T HA 0.461 4.797 4.350 -0.023 0.000 0.312 263 T C 1.842 176.528 174.700 -0.024 0.000 1.064 263 T CA 1.504 63.583 62.100 -0.035 0.000 1.136 263 T CB 1.338 70.187 68.868 -0.031 0.000 1.035 263 T HN 2.709 nan 8.240 nan 0.000 0.538 264 G N 1.887 110.683 108.800 -0.006 0.000 2.241 264 G HA2 -0.369 3.577 3.960 -0.023 0.000 0.244 264 G HA3 -0.369 3.577 3.960 -0.023 0.000 0.244 264 G C 1.266 176.176 174.900 0.016 0.000 0.998 264 G CA 0.817 45.920 45.100 0.005 0.000 0.621 264 G HN 1.560 nan 8.290 nan 0.000 0.519 265 S N 0.843 116.556 115.700 0.022 0.000 2.348 265 S HA -0.088 4.368 4.470 -0.023 0.000 0.221 265 S C 1.776 176.418 174.600 0.071 0.000 1.033 265 S CA 2.039 60.278 58.200 0.064 0.000 1.010 265 S CB -0.384 62.880 63.200 0.106 0.000 0.891 265 S HN 0.528 nan 8.310 nan 0.000 0.442 266 E N 2.453 122.692 120.200 0.065 0.000 2.085 266 E HA 0.019 4.355 4.350 -0.023 0.000 0.194 266 E C 2.340 178.955 176.600 0.024 0.000 0.994 266 E CA 1.331 57.763 56.400 0.054 0.000 0.801 266 E CB -0.738 28.992 29.700 0.051 0.000 0.743 266 E HN 0.700 nan 8.360 nan 0.000 0.453 267 A N 0.718 123.538 122.820 0.001 0.000 1.898 267 A HA -0.080 4.226 4.320 -0.023 0.000 0.216 267 A C 2.161 179.720 177.584 -0.043 0.000 1.181 267 A CA 0.885 52.898 52.037 -0.040 0.000 0.620 267 A CB -0.580 18.400 19.000 -0.033 0.000 0.819 267 A HN 0.278 nan 8.150 nan 0.000 0.442 268 L N -0.984 120.234 121.223 -0.009 0.000 2.141 268 L HA -0.046 4.280 4.340 -0.023 0.000 0.209 268 L C 2.041 178.905 176.870 -0.010 0.000 1.094 268 L CA 1.240 56.078 54.840 -0.004 0.000 0.763 268 L CB -0.177 41.893 42.059 0.018 0.000 0.908 268 L HN 0.436 nan 8.230 nan 0.000 0.437 269 M N -1.233 118.369 119.600 0.003 0.000 2.494 269 M HA 0.144 4.610 4.480 -0.023 0.000 0.232 269 M C 1.120 177.438 176.300 0.030 0.000 1.137 269 M CA 0.693 56.007 55.300 0.024 0.000 1.012 269 M CB 0.320 32.931 32.600 0.019 0.000 1.567 269 M HN 0.374 nan 8.290 nan 0.000 0.486 270 G N 0.886 109.627 108.800 -0.099 0.000 2.147 270 G HA2 -0.280 3.666 3.960 -0.023 0.000 0.244 270 G HA3 -0.280 3.666 3.960 -0.023 0.000 0.244 270 G C -0.501 174.009 174.900 -0.649 0.000 1.005 270 G CA -0.178 44.700 45.100 -0.369 0.000 0.713 270 G HN 0.581 nan 8.290 nan 0.000 0.515 271 Y N 0.057 120.305 120.300 -0.086 0.000 2.517 271 Y HA 0.432 4.968 4.550 -0.023 0.000 0.328 271 Y C 1.002 176.863 175.900 -0.065 0.000 1.130 271 Y CA -0.405 57.648 58.100 -0.079 0.000 1.280 271 Y CB 0.677 39.099 38.460 -0.062 0.000 1.101 271 Y HN 0.358 nan 8.280 nan 0.000 0.610 272 S N -1.461 114.239 115.700 -0.001 0.000 2.575 272 S HA 0.007 4.464 4.470 -0.023 0.000 0.215 272 S C 0.783 175.388 174.600 0.009 0.000 0.966 272 S CA 0.407 58.607 58.200 0.000 0.000 0.911 272 S CB -0.255 62.914 63.200 -0.051 0.000 0.780 272 S HN 0.676 nan 8.310 nan 0.000 0.514 273 E N 0.598 120.798 120.200 -0.001 0.000 3.343 273 E HA -0.245 4.091 4.350 -0.023 0.000 0.281 273 E C -0.441 176.120 176.600 -0.066 0.000 0.914 273 E CA 0.736 57.131 56.400 -0.009 0.000 0.884 273 E CB -2.137 27.598 29.700 0.058 0.000 1.445 273 E HN 0.681 nan 8.360 nan 0.000 0.468 274 S N -0.051 115.596 115.700 -0.089 0.000 3.667 274 S HA -0.175 4.281 4.470 -0.023 0.000 0.405 274 S C -0.039 174.554 174.600 -0.012 0.000 0.913 274 S CA 1.228 59.340 58.200 -0.147 0.000 1.288 274 S CB -0.403 62.567 63.200 -0.384 0.000 0.905 274 S HN 0.194 nan 8.310 nan 0.000 0.550 275 K N 1.258 121.707 120.400 0.083 0.000 2.245 275 K HA 0.667 4.973 4.320 -0.023 0.000 0.234 275 K C 0.778 177.473 176.600 0.160 0.000 1.021 275 K CA -0.670 55.725 56.287 0.179 0.000 0.898 275 K CB 1.166 33.852 32.500 0.309 0.000 1.163 275 K HN 0.514 nan 8.250 nan 0.000 0.459 276 S N -0.307 115.505 115.700 0.187 0.000 2.603 276 S HA 0.176 4.632 4.470 -0.023 0.000 0.268 276 S C 1.477 176.158 174.600 0.137 0.000 1.317 276 S CA -0.434 57.853 58.200 0.146 0.000 1.012 276 S CB 0.645 63.928 63.200 0.138 0.000 0.926 276 S HN 0.524 nan 8.310 nan 0.000 0.539 277 M N 0.766 120.417 119.600 0.086 0.000 2.080 277 M HA -0.095 4.372 4.480 -0.023 0.000 0.260 277 M C 2.015 178.345 176.300 0.050 0.000 1.068 277 M CA 1.490 56.822 55.300 0.053 0.000 1.109 277 M CB -0.678 31.942 32.600 0.032 0.000 1.342 277 M HN 0.746 nan 8.290 nan 0.000 0.405 278 L N -0.525 120.739 121.223 0.067 0.000 2.046 278 L HA -0.224 4.102 4.340 -0.023 0.000 0.208 278 L C 2.363 179.282 176.870 0.082 0.000 1.077 278 L CA 1.873 56.750 54.840 0.063 0.000 0.747 278 L CB -0.902 41.200 42.059 0.071 0.000 0.896 278 L HN 0.300 nan 8.230 nan 0.000 0.432 279 Y N -0.452 119.869 120.300 0.034 0.000 2.181 279 Y HA -0.214 4.321 4.550 -0.025 0.000 0.288 279 Y C 2.165 178.086 175.900 0.035 0.000 1.146 279 Y CA 1.852 59.973 58.100 0.035 0.000 1.164 279 Y CB -0.364 38.117 38.460 0.035 0.000 0.982 279 Y HN 0.175 nan 8.280 nan 0.000 0.515 280 L N 0.035 121.146 121.223 -0.186 0.000 2.093 280 L HA -0.156 4.170 4.340 -0.023 0.000 0.208 280 L C 2.438 179.193 176.870 -0.192 0.000 1.085 280 L CA 1.690 56.383 54.840 -0.244 0.000 0.755 280 L CB -0.579 41.454 42.059 -0.043 0.000 0.904 280 L HN 0.198 nan 8.230 nan 0.000 0.435 281 E N 0.059 120.194 120.200 -0.108 0.000 2.106 281 E HA -0.201 4.135 4.350 -0.023 0.000 0.192 281 E C 2.290 178.855 176.600 -0.058 0.000 0.984 281 E CA 1.547 57.901 56.400 -0.076 0.000 0.806 281 E CB -0.163 29.512 29.700 -0.042 0.000 0.750 281 E HN 0.208 nan 8.360 nan 0.000 0.458 282 S N -0.273 115.389 115.700 -0.064 0.000 2.359 282 S HA -0.206 4.250 4.470 -0.023 0.000 0.224 282 S C 1.992 176.633 174.600 0.069 0.000 1.035 282 S CA 1.552 59.774 58.200 0.037 0.000 1.018 282 S CB -0.211 63.002 63.200 0.021 0.000 0.876 282 S HN 0.309 nan 8.310 nan 0.000 0.448 283 R N -0.166 120.225 120.500 -0.182 0.000 2.083 283 R HA -0.107 4.220 4.340 -0.023 0.000 0.237 283 R C 2.635 178.960 176.300 0.042 0.000 1.137 283 R CA 1.763 57.791 56.100 -0.119 0.000 0.951 283 R CB -1.050 29.103 30.300 -0.245 0.000 0.851 283 R HN 0.472 nan 8.270 nan 0.000 0.434 284 C N 0.752 120.037 119.300 -0.024 0.000 2.401 284 C HA -0.124 4.322 4.460 -0.023 0.000 0.276 284 C C 2.656 177.669 174.990 0.039 0.000 1.233 284 C CA 0.832 59.830 59.018 -0.033 0.000 1.753 284 C CB -0.894 26.774 27.740 -0.119 0.000 2.029 284 C HN 0.602 nan 8.230 nan 0.000 0.478 285 I N -1.554 119.053 120.570 0.061 0.000 2.676 285 I HA -0.082 4.074 4.170 -0.023 0.000 0.259 285 I C 2.005 178.134 176.117 0.020 0.000 1.194 285 I CA 1.692 63.008 61.300 0.027 0.000 1.473 285 I CB -0.426 37.556 38.000 -0.031 0.000 1.096 285 I HN 0.155 nan 8.210 nan 0.000 0.443 286 F N 1.313 121.274 119.950 0.020 0.000 2.367 286 F HA 0.085 4.597 4.527 -0.025 0.000 0.298 286 F C 2.191 178.060 175.800 0.115 0.000 1.094 286 F CA 1.206 59.234 58.000 0.046 0.000 1.409 286 F CB -0.253 38.762 39.000 0.026 0.000 1.064 286 F HN 0.009 nan 8.300 nan 0.000 0.528 287 I N -0.701 120.053 120.570 0.307 0.000 2.226 287 I HA -0.284 3.872 4.170 -0.023 0.000 0.245 287 I C 2.182 178.514 176.117 0.359 0.000 1.100 287 I CA 1.511 63.018 61.300 0.345 0.000 1.374 287 I CB -0.836 37.269 38.000 0.175 0.000 1.057 287 I HN 0.092 nan 8.210 nan 0.000 0.413 288 T N 0.382 115.101 114.554 0.274 0.000 2.737 288 T HA -0.200 4.137 4.350 -0.023 0.000 0.265 288 T C 1.891 176.609 174.700 0.030 0.000 1.038 288 T CA 1.437 63.663 62.100 0.210 0.000 1.144 288 T CB -0.189 68.767 68.868 0.148 0.000 0.866 288 T HN 0.112 nan 8.240 nan 0.000 0.434 289 K N 1.434 121.838 120.400 0.007 0.000 1.991 289 K HA -0.042 4.264 4.320 -0.023 0.000 0.212 289 K C 2.418 179.035 176.600 0.029 0.000 1.049 289 K CA 1.897 58.156 56.287 -0.046 0.000 0.932 289 K CB -1.152 31.259 32.500 -0.148 0.000 0.717 289 K HN 0.311 nan 8.250 nan 0.000 0.441 290 G N -0.510 108.357 108.800 0.113 0.000 2.462 290 G HA2 -0.213 3.734 3.960 -0.023 0.000 0.220 290 G HA3 -0.213 3.734 3.960 -0.023 0.000 0.220 290 G C 1.504 176.509 174.900 0.175 0.000 1.121 290 G CA 0.983 46.150 45.100 0.111 0.000 0.758 290 G HN 0.465 nan 8.290 nan 0.000 0.559 291 A N -0.514 122.461 122.820 0.260 0.000 2.119 291 A HA 0.435 4.741 4.320 -0.023 0.000 0.216 291 A C 2.169 179.792 177.584 0.066 0.000 1.152 291 A CA 1.490 53.662 52.037 0.226 0.000 0.708 291 A CB -0.341 18.774 19.000 0.192 0.000 0.805 291 A HN 1.569 nan 8.150 nan 0.000 0.460 292 G N -2.072 106.730 108.800 0.004 0.000 2.176 292 G HA2 -0.188 3.758 3.960 -0.023 0.000 0.232 292 G HA3 -0.188 3.758 3.960 -0.023 0.000 0.232 292 G C 0.206 175.039 174.900 -0.112 0.000 0.986 292 G CA 0.027 45.109 45.100 -0.029 0.000 0.643 292 G HN 0.753 nan 8.290 nan 0.000 0.522 293 V N 2.405 122.181 119.914 -0.230 0.000 2.485 293 V HA 0.238 4.344 4.120 -0.023 0.000 0.287 293 V C 1.850 177.807 176.094 -0.228 0.000 1.022 293 V CA 1.215 63.309 62.300 -0.345 0.000 1.067 293 V CB 1.300 32.660 31.823 -0.773 0.000 0.967 293 V HN 0.715 nan 8.190 nan 0.000 0.479 294 Q N 4.749 124.446 119.800 -0.172 0.000 2.124 294 Q HA 0.082 4.408 4.340 -0.023 0.000 0.202 294 Q C 0.891 176.828 176.000 -0.104 0.000 0.977 294 Q CA 1.484 57.218 55.803 -0.116 0.000 0.850 294 Q CB -0.129 28.555 28.738 -0.090 0.000 0.901 294 Q HN 0.725 nan 8.270 nan 0.000 0.429 295 G N -0.267 108.461 108.800 -0.121 0.000 2.658 295 G HA2 0.624 4.571 3.960 -0.023 0.000 0.292 295 G HA3 0.624 4.571 3.960 -0.023 0.000 0.292 295 G C -2.004 172.846 174.900 -0.083 0.000 1.320 295 G CA -0.750 44.303 45.100 -0.079 0.000 0.933 295 G HN 0.168 nan 8.290 nan 0.000 0.476 296 L N -0.515 120.680 121.223 -0.048 0.000 2.422 296 L HA 0.620 4.946 4.340 -0.023 0.000 0.264 296 L C -0.478 176.369 176.870 -0.039 0.000 0.984 296 L CA -0.697 54.123 54.840 -0.033 0.000 0.819 296 L CB 2.425 44.466 42.059 -0.029 0.000 1.330 296 L HN 0.578 nan 8.230 nan 0.000 0.410 297 Q N 4.216 123.984 119.800 -0.053 0.000 2.400 297 Q HA 0.471 4.797 4.340 -0.023 0.000 0.255 297 Q C -1.349 174.603 176.000 -0.079 0.000 1.008 297 Q CA -0.469 55.290 55.803 -0.072 0.000 0.841 297 Q CB 0.719 29.398 28.738 -0.098 0.000 1.220 297 Q HN 0.838 nan 8.270 nan 0.000 0.474 298 N N 1.754 120.412 118.700 -0.070 0.000 2.902 298 N HA 0.602 5.328 4.740 -0.023 0.000 0.268 298 N C -0.490 174.973 175.510 -0.078 0.000 1.450 298 N CA -0.026 52.976 53.050 -0.079 0.000 0.819 298 N CB 1.220 39.665 38.487 -0.071 0.000 1.540 298 N HN 0.531 nan 8.380 nan 0.000 0.545 299 G N -1.716 107.035 108.800 -0.082 0.000 2.462 299 G HA2 0.454 4.400 3.960 -0.023 0.000 0.124 299 G HA3 0.454 4.400 3.960 -0.023 0.000 0.124 299 G C 0.650 175.488 174.900 -0.103 0.000 1.062 299 G CA 0.807 45.852 45.100 -0.092 0.000 0.764 299 G HN 1.758 nan 8.290 nan 0.000 0.485 300 A N -2.440 120.327 122.820 -0.089 0.000 2.070 300 A HA -0.022 4.284 4.320 -0.023 0.000 0.231 300 A C 2.854 180.394 177.584 -0.073 0.000 0.501 300 A CA 3.138 55.126 52.037 -0.082 0.000 1.119 300 A CB -1.906 17.031 19.000 -0.105 0.000 1.430 300 A HN 2.408 nan 8.150 nan 0.000 0.706 301 V N -2.773 117.091 119.914 -0.082 0.000 0.690 301 V HA -0.460 3.647 4.120 -0.023 0.000 0.092 301 V C 1.801 177.873 176.094 -0.037 0.000 0.791 301 V CA 2.962 65.220 62.300 -0.070 0.000 3.101 301 V CB -1.919 29.853 31.823 -0.084 0.000 0.196 301 V HN 1.515 nan 8.190 nan 0.000 0.102 302 S N -1.021 114.665 115.700 -0.024 0.000 2.507 302 S HA -0.107 4.349 4.470 -0.023 0.000 0.235 302 S C 0.869 175.485 174.600 0.025 0.000 0.988 302 S CA 1.488 59.698 58.200 0.017 0.000 0.944 302 S CB -0.400 62.819 63.200 0.032 0.000 0.762 302 S HN 0.696 nan 8.310 nan 0.000 0.526 303 C N 0.857 120.160 119.300 0.005 0.000 2.668 303 C HA 0.406 4.852 4.460 -0.023 0.000 0.301 303 C C 1.860 176.851 174.990 0.002 0.000 1.351 303 C CA -0.952 58.074 59.018 0.013 0.000 1.757 303 C CB -1.808 25.937 27.740 0.009 0.000 2.179 303 C HN 0.531 nan 8.230 nan 0.000 0.586 304 I N 2.513 123.079 120.570 -0.008 0.000 2.315 304 I HA -0.107 4.049 4.170 -0.023 0.000 0.251 304 I C 2.340 178.468 176.117 0.018 0.000 1.125 304 I CA 1.990 63.258 61.300 -0.052 0.000 1.392 304 I CB -0.496 37.463 38.000 -0.067 0.000 1.065 304 I HN 0.389 nan 8.210 nan 0.000 0.424 305 G N -0.218 108.636 108.800 0.091 0.000 2.498 305 G HA2 -0.186 3.760 3.960 -0.023 0.000 0.219 305 G HA3 -0.186 3.760 3.960 -0.023 0.000 0.219 305 G C 1.418 176.372 174.900 0.090 0.000 1.119 305 G CA 0.738 45.915 45.100 0.128 0.000 0.766 305 G HN 0.262 nan 8.290 nan 0.000 0.552 306 M N -0.165 119.467 119.600 0.053 0.000 2.206 306 M HA 0.084 4.550 4.480 -0.023 0.000 0.249 306 M C 2.656 178.978 176.300 0.036 0.000 1.125 306 M CA 1.252 56.579 55.300 0.045 0.000 1.166 306 M CB -1.508 31.110 32.600 0.029 0.000 1.266 306 M HN 0.153 nan 8.290 nan 0.000 0.445 307 T N 0.491 115.049 114.554 0.006 0.000 2.869 307 T HA -0.117 4.219 4.350 -0.023 0.000 0.270 307 T C 1.509 176.200 174.700 -0.016 0.000 1.082 307 T CA 1.703 63.797 62.100 -0.011 0.000 1.123 307 T CB -0.424 68.418 68.868 -0.043 0.000 0.856 307 T HN 0.585 nan 8.240 nan 0.000 0.499 308 G N -0.717 108.076 108.800 -0.011 0.000 2.880 308 G HA2 0.313 4.259 3.960 -0.023 0.000 0.209 308 G HA3 0.313 4.259 3.960 -0.023 0.000 0.209 308 G C 1.596 176.562 174.900 0.110 0.000 1.157 308 G CA 0.616 45.729 45.100 0.021 0.000 0.779 308 G HN 0.564 nan 8.290 nan 0.000 0.539 309 A N 0.157 123.034 122.820 0.095 0.000 2.021 309 A HA 0.425 4.731 4.320 -0.023 0.000 0.216 309 A C 1.424 179.058 177.584 0.084 0.000 1.163 309 A CA 1.141 53.238 52.037 0.100 0.000 0.676 309 A CB -0.345 18.711 19.000 0.093 0.000 0.818 309 A HN 0.714 nan 8.150 nan 0.000 0.453 310 V N -3.994 115.962 119.914 0.071 0.000 3.096 310 V HA 0.585 4.692 4.120 -0.023 0.000 0.319 310 V C -2.965 173.163 176.094 0.057 0.000 1.082 310 V CA -2.867 59.474 62.300 0.068 0.000 1.022 310 V CB 0.599 32.465 31.823 0.070 0.000 1.103 310 V HN 0.067 nan 8.190 nan 0.000 0.455 311 P HA 0.100 nan 4.420 nan 0.000 0.267 311 P C 0.653 177.975 177.300 0.038 0.000 1.201 311 P CA 1.062 64.190 63.100 0.046 0.000 0.775 311 P CB 0.533 32.260 31.700 0.045 0.000 0.854 312 S N 1.220 116.939 115.700 0.031 0.000 3.419 312 S HA -0.222 4.234 4.470 -0.023 0.000 0.350 312 S C 1.595 176.202 174.600 0.011 0.000 1.128 312 S CA 1.174 59.387 58.200 0.021 0.000 0.999 312 S CB -1.689 61.525 63.200 0.023 0.000 0.923 312 S HN 0.787 nan 8.310 nan 0.000 0.522 313 G N 0.508 109.313 108.800 0.009 0.000 2.448 313 G HA2 0.009 3.955 3.960 -0.023 0.000 0.218 313 G HA3 0.009 3.955 3.960 -0.023 0.000 0.218 313 G C 1.230 176.098 174.900 -0.053 0.000 1.135 313 G CA 0.941 46.034 45.100 -0.013 0.000 0.784 313 G HN 0.615 nan 8.290 nan 0.000 0.543 314 I N 0.718 121.255 120.570 -0.055 0.000 2.480 314 I HA 0.037 4.193 4.170 -0.023 0.000 0.251 314 I C 2.526 178.606 176.117 -0.061 0.000 1.124 314 I CA 0.648 61.892 61.300 -0.093 0.000 1.444 314 I CB -0.950 37.009 38.000 -0.068 0.000 1.098 314 I HN 0.217 nan 8.210 nan 0.000 0.428 315 R N 1.747 122.229 120.500 -0.029 0.000 2.120 315 R HA -0.116 4.210 4.340 -0.023 0.000 0.234 315 R C 2.308 178.595 176.300 -0.022 0.000 1.123 315 R CA 1.587 57.675 56.100 -0.019 0.000 0.975 315 R CB -0.098 30.200 30.300 -0.003 0.000 0.866 315 R HN 0.263 nan 8.270 nan 0.000 0.446 316 A N 0.485 123.292 122.820 -0.022 0.000 1.877 316 A HA -0.092 4.214 4.320 -0.023 0.000 0.216 316 A C 2.261 179.824 177.584 -0.035 0.000 1.186 316 A CA 1.633 53.660 52.037 -0.017 0.000 0.620 316 A CB -0.614 18.380 19.000 -0.009 0.000 0.822 316 A HN 0.216 nan 8.150 nan 0.000 0.443 317 V N -0.084 119.792 119.914 -0.063 0.000 2.392 317 V HA -0.258 3.848 4.120 -0.023 0.000 0.249 317 V C 2.491 178.541 176.094 -0.072 0.000 1.059 317 V CA 1.996 64.245 62.300 -0.084 0.000 1.051 317 V CB -0.940 30.803 31.823 -0.134 0.000 0.658 317 V HN 0.584 nan 8.190 nan 0.000 0.455 318 L N 1.080 122.265 121.223 -0.063 0.000 2.027 318 L HA -0.023 4.303 4.340 -0.023 0.000 0.206 318 L C 2.476 179.324 176.870 -0.036 0.000 1.074 318 L CA 2.357 57.166 54.840 -0.053 0.000 0.745 318 L CB -1.125 40.907 42.059 -0.045 0.000 0.898 318 L HN 0.205 nan 8.230 nan 0.000 0.433 319 A N -0.076 122.730 122.820 -0.023 0.000 1.933 319 A HA -0.245 4.061 4.320 -0.023 0.000 0.218 319 A C 2.152 179.732 177.584 -0.006 0.000 1.175 319 A CA 1.688 53.720 52.037 -0.007 0.000 0.628 319 A CB -0.787 18.217 19.000 0.006 0.000 0.814 319 A HN 0.753 nan 8.150 nan 0.000 0.444 320 E N -0.127 120.063 120.200 -0.016 0.000 2.208 320 E HA -0.180 4.156 4.350 -0.023 0.000 0.193 320 E C 1.542 178.126 176.600 -0.027 0.000 0.988 320 E CA 1.259 57.649 56.400 -0.016 0.000 0.828 320 E CB -0.535 29.149 29.700 -0.027 0.000 0.763 320 E HN 0.771 nan 8.360 nan 0.000 0.478 321 N N 0.319 118.997 118.700 -0.036 0.000 2.171 321 N HA -0.096 4.631 4.740 -0.023 0.000 0.184 321 N C 1.816 177.306 175.510 -0.033 0.000 1.021 321 N CA 0.703 53.729 53.050 -0.040 0.000 0.854 321 N CB -0.046 38.412 38.487 -0.049 0.000 0.994 321 N HN 0.069 nan 8.380 nan 0.000 0.426 322 L N 1.517 122.724 121.223 -0.026 0.000 2.046 322 L HA -0.048 4.278 4.340 -0.023 0.000 0.208 322 L C 1.818 178.678 176.870 -0.016 0.000 1.077 322 L CA 1.346 56.174 54.840 -0.020 0.000 0.747 322 L CB -0.369 41.683 42.059 -0.012 0.000 0.896 322 L HN 0.195 nan 8.230 nan 0.000 0.432 323 I N -0.608 119.958 120.570 -0.006 0.000 2.208 323 I HA -0.337 3.820 4.170 -0.023 0.000 0.245 323 I C 2.569 178.658 176.117 -0.046 0.000 1.097 323 I CA 1.262 62.561 61.300 -0.001 0.000 1.363 323 I CB -0.680 37.343 38.000 0.037 0.000 1.051 323 I HN 0.350 nan 8.210 nan 0.000 0.413 324 A N -0.142 122.648 122.820 -0.050 0.000 1.902 324 A HA -0.206 4.100 4.320 -0.023 0.000 0.217 324 A C 2.493 180.033 177.584 -0.073 0.000 1.181 324 A CA 2.266 54.258 52.037 -0.075 0.000 0.623 324 A CB -0.685 18.282 19.000 -0.055 0.000 0.818 324 A HN 0.379 nan 8.150 nan 0.000 0.443 325 S N -0.199 115.470 115.700 -0.051 0.000 2.345 325 S HA -0.159 4.297 4.470 -0.023 0.000 0.220 325 S C 2.083 176.656 174.600 -0.044 0.000 1.031 325 S CA 1.744 59.918 58.200 -0.044 0.000 0.996 325 S CB -0.471 62.708 63.200 -0.035 0.000 0.882 325 S HN 0.783 nan 8.310 nan 0.000 0.445 326 M N 0.180 119.758 119.600 -0.037 0.000 2.539 326 M HA 0.118 4.584 4.480 -0.023 0.000 0.261 326 M C 1.489 177.758 176.300 -0.052 0.000 1.069 326 M CA 1.407 56.690 55.300 -0.028 0.000 1.081 326 M CB -0.417 32.178 32.600 -0.008 0.000 1.412 326 M HN 0.131 nan 8.290 nan 0.000 0.482 327 L N 0.846 122.013 121.223 -0.093 0.000 2.611 327 L HA 0.057 4.383 4.340 -0.023 0.000 0.229 327 L C -0.026 176.769 176.870 -0.124 0.000 1.137 327 L CA 0.375 55.122 54.840 -0.156 0.000 0.901 327 L CB -0.120 41.769 42.059 -0.283 0.000 1.098 327 L HN 0.474 nan 8.230 nan 0.000 0.456 328 D N -0.225 120.126 120.400 -0.082 0.000 3.068 328 D HA -0.207 4.419 4.640 -0.023 0.000 0.218 328 D C -0.226 176.035 176.300 -0.066 0.000 1.145 328 D CA 0.681 54.643 54.000 -0.063 0.000 0.896 328 D CB -1.129 39.639 40.800 -0.055 0.000 1.105 328 D HN 0.184 nan 8.370 nan 0.000 0.423 329 L N 0.588 121.766 121.223 -0.075 0.000 2.360 329 L HA 0.372 4.699 4.340 -0.023 0.000 0.271 329 L C 1.051 177.896 176.870 -0.042 0.000 1.057 329 L CA -0.745 54.054 54.840 -0.068 0.000 0.803 329 L CB 1.247 43.256 42.059 -0.083 0.000 1.207 329 L HN 0.113 nan 8.230 nan 0.000 0.445 330 E N 1.509 121.693 120.200 -0.026 0.000 2.360 330 E HA 0.214 4.550 4.350 -0.023 0.000 0.269 330 E C -1.524 175.097 176.600 0.035 0.000 1.022 330 E CA -0.392 56.019 56.400 0.017 0.000 0.887 330 E CB 1.210 30.939 29.700 0.049 0.000 0.990 330 E HN 0.283 nan 8.360 nan 0.000 0.426 331 V N 3.668 123.623 119.914 0.070 0.000 2.409 331 V HA 0.389 4.496 4.120 -0.023 0.000 0.290 331 V C -0.238 175.948 176.094 0.155 0.000 1.017 331 V CA -0.647 61.692 62.300 0.065 0.000 0.841 331 V CB 1.260 33.091 31.823 0.013 0.000 1.003 331 V HN 0.775 nan 8.190 nan 0.000 0.426 332 A N 3.474 126.363 122.820 0.116 0.000 2.506 332 A HA 0.461 4.767 4.320 -0.023 0.000 0.320 332 A C 1.004 178.609 177.584 0.035 0.000 1.424 332 A CA -0.090 52.017 52.037 0.116 0.000 1.044 332 A CB 0.050 18.984 19.000 -0.109 0.000 1.140 332 A HN 1.074 nan 8.150 nan 0.000 0.538 333 S N 2.412 118.139 115.700 0.045 0.000 3.305 333 S HA 0.407 4.864 4.470 -0.023 0.000 0.248 333 S C 1.174 175.722 174.600 -0.087 0.000 1.288 333 S CA 0.285 58.465 58.200 -0.033 0.000 1.249 333 S CB -1.376 61.794 63.200 -0.049 0.000 1.116 333 S HN 2.249 nan 8.310 nan 0.000 0.465 334 A N 2.456 125.230 122.820 -0.077 0.000 5.395 334 A HA -0.410 3.896 4.320 -0.023 0.000 0.324 334 A C 1.359 178.854 177.584 -0.148 0.000 1.813 334 A CA 1.268 53.244 52.037 -0.102 0.000 0.714 334 A CB -1.958 16.975 19.000 -0.111 0.000 1.374 334 A HN 1.102 nan 8.150 nan 0.000 0.390 335 N N -0.682 117.907 118.700 -0.185 0.000 2.850 335 N HA -0.198 4.528 4.740 -0.023 0.000 0.249 335 N C 0.228 175.703 175.510 -0.059 0.000 1.060 335 N CA 1.711 54.599 53.050 -0.269 0.000 0.825 335 N CB -1.062 36.941 38.487 -0.808 0.000 1.132 335 N HN 1.045 nan 8.380 nan 0.000 0.564 336 D N -0.962 119.422 120.400 -0.028 0.000 2.369 336 D HA -0.001 4.625 4.640 -0.023 0.000 0.211 336 D C 0.156 176.492 176.300 0.061 0.000 1.077 336 D CA 0.629 54.619 54.000 -0.016 0.000 0.842 336 D CB 0.357 41.094 40.800 -0.104 0.000 0.947 336 D HN 0.168 nan 8.370 nan 0.000 0.509 337 Q N 0.743 120.588 119.800 0.075 0.000 2.394 337 Q HA 0.318 4.644 4.340 -0.023 0.000 0.273 337 Q C -0.279 175.818 176.000 0.161 0.000 1.089 337 Q CA -0.483 55.387 55.803 0.113 0.000 0.812 337 Q CB 2.073 30.862 28.738 0.086 0.000 1.353 337 Q HN 0.148 nan 8.270 nan 0.000 0.438 338 T N -0.826 113.804 114.554 0.126 0.000 2.919 338 T HA 0.452 4.789 4.350 -0.023 0.000 0.302 338 T C 0.489 175.295 174.700 0.176 0.000 1.031 338 T CA -0.273 61.885 62.100 0.096 0.000 1.127 338 T CB 0.150 69.003 68.868 -0.025 0.000 0.952 338 T HN 0.662 nan 8.240 nan 0.000 0.540 339 F N -1.194 118.733 119.950 -0.039 0.000 2.995 339 F HA 0.550 5.063 4.527 -0.022 0.000 0.382 339 F C -0.052 175.735 175.800 -0.022 0.000 1.019 339 F CA -0.672 57.316 58.000 -0.021 0.000 1.078 339 F CB 0.148 39.149 39.000 0.001 0.000 1.192 339 F HN 0.696 nan 8.300 nan 0.000 0.553 340 S N -0.236 114.880 115.700 -0.973 0.000 2.549 340 S HA 0.399 4.855 4.470 -0.023 0.000 0.280 340 S C -0.013 174.326 174.600 -0.436 0.000 1.109 340 S CA -0.417 57.354 58.200 -0.716 0.000 0.905 340 S CB 0.794 63.394 63.200 -1.000 0.000 1.081 340 S HN 0.358 nan 8.310 nan 0.000 0.477 341 H N 1.316 120.246 119.070 -0.234 0.000 2.548 341 H HA 0.196 4.738 4.556 -0.023 0.000 0.265 341 H C 0.546 175.785 175.328 -0.147 0.000 0.969 341 H CA 0.317 56.273 56.048 -0.154 0.000 1.155 341 H CB 0.424 30.127 29.762 -0.099 0.000 1.394 341 H HN 0.421 nan 8.280 nan 0.000 0.570 342 S N 0.704 116.360 115.700 -0.073 0.000 2.462 342 S HA 0.084 4.541 4.470 -0.023 0.000 0.294 342 S C 0.596 175.138 174.600 -0.097 0.000 1.144 342 S CA -0.829 57.329 58.200 -0.069 0.000 1.088 342 S CB 1.325 64.498 63.200 -0.046 0.000 1.009 342 S HN 0.070 nan 8.310 nan 0.000 0.484 343 D N 4.129 124.489 120.400 -0.067 0.000 2.144 343 D HA -0.041 4.585 4.640 -0.023 0.000 0.200 343 D C 1.768 178.073 176.300 0.008 0.000 0.978 343 D CA 1.145 55.110 54.000 -0.059 0.000 0.833 343 D CB -0.103 40.670 40.800 -0.045 0.000 0.961 343 D HN 0.634 nan 8.370 nan 0.000 0.470 344 I N 0.445 121.023 120.570 0.014 0.000 2.127 344 I HA -0.276 3.880 4.170 -0.023 0.000 0.241 344 I C 2.634 178.792 176.117 0.069 0.000 1.075 344 I CA 1.072 62.399 61.300 0.044 0.000 1.334 344 I CB -0.209 37.807 38.000 0.028 0.000 1.040 344 I HN -0.051 nan 8.210 nan 0.000 0.405 345 R N 1.351 121.877 120.500 0.043 0.000 2.073 345 R HA -0.188 4.138 4.340 -0.023 0.000 0.234 345 R C 2.602 179.018 176.300 0.195 0.000 1.134 345 R CA 1.798 57.952 56.100 0.089 0.000 0.952 345 R CB -0.205 30.102 30.300 0.011 0.000 0.850 345 R HN 0.404 nan 8.270 nan 0.000 0.433 346 R N -0.760 119.793 120.500 0.088 0.000 2.148 346 R HA -0.039 4.287 4.340 -0.023 0.000 0.227 346 R C 1.644 178.186 176.300 0.403 0.000 1.103 346 R CA 1.764 58.027 56.100 0.272 0.000 0.983 346 R CB -0.614 29.717 30.300 0.051 0.000 0.874 346 R HN 0.063 nan 8.270 nan 0.000 0.451 347 T N 1.200 115.942 114.554 0.314 0.000 2.777 347 T HA -0.011 4.325 4.350 -0.023 0.000 0.266 347 T C 2.010 176.841 174.700 0.219 0.000 1.040 347 T CA 1.488 63.795 62.100 0.344 0.000 1.141 347 T CB -0.165 68.864 68.868 0.268 0.000 0.868 347 T HN 0.514 nan 8.240 nan 0.000 0.444 348 A N 1.654 124.582 122.820 0.179 0.000 2.014 348 A HA -0.017 4.289 4.320 -0.023 0.000 0.218 348 A C 2.304 179.947 177.584 0.098 0.000 1.163 348 A CA 0.988 53.097 52.037 0.120 0.000 0.652 348 A CB -0.446 18.619 19.000 0.109 0.000 0.808 348 A HN 0.247 nan 8.150 nan 0.000 0.449 349 R N -0.304 120.287 120.500 0.152 0.000 2.066 349 R HA -0.102 4.224 4.340 -0.023 0.000 0.232 349 R C 1.895 178.182 176.300 -0.023 0.000 1.131 349 R CA 2.207 58.340 56.100 0.055 0.000 0.955 349 R CB -0.877 29.479 30.300 0.095 0.000 0.851 349 R HN 0.430 nan 8.270 nan 0.000 0.432 350 T N 1.708 116.266 114.554 0.007 0.000 2.812 350 T HA -0.062 4.274 4.350 -0.023 0.000 0.264 350 T C 1.732 176.360 174.700 -0.121 0.000 1.042 350 T CA 0.709 62.714 62.100 -0.158 0.000 1.140 350 T CB -0.157 68.543 68.868 -0.281 0.000 0.870 350 T HN 0.059 nan 8.240 nan 0.000 0.445 351 L N 1.499 122.704 121.223 -0.030 0.000 2.189 351 L HA -0.093 4.233 4.340 -0.023 0.000 0.214 351 L C 2.237 179.088 176.870 -0.031 0.000 1.097 351 L CA 1.455 56.288 54.840 -0.011 0.000 0.764 351 L CB -0.643 41.433 42.059 0.028 0.000 0.900 351 L HN 0.277 nan 8.230 nan 0.000 0.436 352 M N -1.903 117.671 119.600 -0.043 0.000 2.149 352 M HA -0.230 4.236 4.480 -0.023 0.000 0.261 352 M C 2.119 178.380 176.300 -0.065 0.000 1.064 352 M CA 1.671 56.942 55.300 -0.049 0.000 1.102 352 M CB -1.009 31.558 32.600 -0.055 0.000 1.369 352 M HN 0.289 nan 8.290 nan 0.000 0.408 353 Q N -0.867 118.879 119.800 -0.090 0.000 2.226 353 Q HA 0.153 4.479 4.340 -0.023 0.000 0.199 353 Q C 2.021 177.983 176.000 -0.063 0.000 0.945 353 Q CA 0.663 56.412 55.803 -0.090 0.000 0.861 353 Q CB -0.184 28.477 28.738 -0.128 0.000 0.953 353 Q HN 0.413 nan 8.270 nan 0.000 0.490 354 M N 0.213 119.780 119.600 -0.055 0.000 2.065 354 M HA -0.211 4.255 4.480 -0.023 0.000 0.259 354 M C 1.664 177.961 176.300 -0.005 0.000 1.071 354 M CA 1.636 56.943 55.300 0.012 0.000 1.109 354 M CB -0.190 32.445 32.600 0.059 0.000 1.313 354 M HN 0.268 nan 8.290 nan 0.000 0.408 355 L N -0.342 120.867 121.223 -0.022 0.000 2.013 355 L HA -0.203 4.123 4.340 -0.023 0.000 0.212 355 L C -0.409 176.429 176.870 -0.054 0.000 1.073 355 L CA 1.522 56.342 54.840 -0.034 0.000 0.753 355 L CB -2.521 39.517 42.059 -0.034 0.000 0.890 355 L HN 0.316 nan 8.230 nan 0.000 0.432 356 P HA 0.055 nan 4.420 nan 0.000 0.216 356 P C 0.297 177.543 177.300 -0.089 0.000 1.156 356 P CA 1.025 64.067 63.100 -0.097 0.000 0.855 356 P CB 0.153 31.797 31.700 -0.094 0.000 0.786 357 G N -0.353 108.409 108.800 -0.062 0.000 3.209 357 G HA2 0.147 4.093 3.960 -0.023 0.000 0.686 357 G HA3 0.147 4.093 3.960 -0.023 0.000 0.686 357 G C -0.304 174.553 174.900 -0.073 0.000 1.065 357 G CA -0.423 44.644 45.100 -0.055 0.000 0.812 357 G HN 0.460 nan 8.290 nan 0.000 0.573 358 T N -1.108 113.408 114.554 -0.064 0.000 2.888 358 T HA 0.679 5.016 4.350 -0.023 0.000 0.288 358 T C 0.849 175.485 174.700 -0.107 0.000 1.063 358 T CA 0.211 62.274 62.100 -0.063 0.000 1.010 358 T CB 2.085 70.940 68.868 -0.023 0.000 1.214 358 T HN 0.313 nan 8.240 nan 0.000 0.533 359 D N -0.155 120.179 120.400 -0.111 0.000 2.158 359 D HA -0.044 4.582 4.640 -0.023 0.000 0.197 359 D C -0.274 175.667 176.300 -0.599 0.000 0.995 359 D CA 1.737 55.563 54.000 -0.290 0.000 0.846 359 D CB -0.048 40.693 40.800 -0.098 0.000 0.941 359 D HN 0.515 nan 8.370 nan 0.000 0.456 360 F N -0.444 119.497 119.950 -0.015 0.000 3.094 360 F HA 0.282 4.796 4.527 -0.023 0.000 0.385 360 F C 1.138 176.967 175.800 0.048 0.000 1.231 360 F CA -0.578 57.440 58.000 0.030 0.000 1.207 360 F CB 0.550 39.570 39.000 0.033 0.000 1.703 360 F HN -0.292 nan 8.300 nan 0.000 0.610 361 I N 0.325 121.004 120.570 0.181 0.000 2.103 361 I HA -0.312 3.844 4.170 -0.023 0.000 0.241 361 I C 0.424 176.590 176.117 0.081 0.000 1.036 361 I CA 1.934 63.309 61.300 0.126 0.000 1.300 361 I CB -0.159 37.974 38.000 0.222 0.000 1.010 361 I HN 0.209 nan 8.210 nan 0.000 0.406 362 F N 0.143 120.170 119.950 0.128 0.000 2.443 362 F HA 0.207 4.721 4.527 -0.022 0.000 0.335 362 F C 0.999 176.848 175.800 0.083 0.000 1.104 362 F CA -0.675 57.377 58.000 0.087 0.000 1.013 362 F CB 1.433 40.525 39.000 0.154 0.000 1.136 362 F HN -0.162 nan 8.300 nan 0.000 0.470 363 S N 0.736 116.515 115.700 0.132 0.000 2.562 363 S HA 0.558 5.014 4.470 -0.023 0.000 0.246 363 S C 0.394 174.941 174.600 -0.088 0.000 1.056 363 S CA 0.060 58.267 58.200 0.011 0.000 1.042 363 S CB 0.019 63.187 63.200 -0.054 0.000 0.822 363 S HN 1.070 nan 8.310 nan 0.000 0.465 364 G N 0.880 109.602 108.800 -0.131 0.000 4.047 364 G HA2 0.069 4.015 3.960 -0.023 0.000 0.230 364 G HA3 0.069 4.015 3.960 -0.023 0.000 0.230 364 G C -0.689 173.796 174.900 -0.691 0.000 3.044 364 G CA -0.822 43.876 45.100 -0.670 0.000 0.881 364 G HN 0.372 nan 8.290 nan 0.000 0.377 365 Y N 1.966 122.030 120.300 -0.394 0.000 2.526 365 Y HA 0.538 5.073 4.550 -0.024 0.000 0.330 365 Y C 0.778 176.399 175.900 -0.465 0.000 1.156 365 Y CA -0.009 57.864 58.100 -0.378 0.000 1.419 365 Y CB 1.366 39.485 38.460 -0.568 0.000 1.250 365 Y HN 0.238 nan 8.280 nan 0.000 0.540 366 S N 5.188 120.741 115.700 -0.245 0.000 2.448 366 S HA 0.444 4.900 4.470 -0.023 0.000 0.279 366 S C 0.729 175.390 174.600 0.102 0.000 1.195 366 S CA -0.205 57.968 58.200 -0.044 0.000 1.051 366 S CB 0.081 63.257 63.200 -0.041 0.000 0.948 366 S HN 0.895 nan 8.310 nan 0.000 0.493 367 A N 4.432 127.316 122.820 0.107 0.000 2.259 367 A HA 0.413 4.719 4.320 -0.023 0.000 0.208 367 A C 0.751 178.444 177.584 0.181 0.000 1.201 367 A CA 0.403 52.592 52.037 0.253 0.000 0.824 367 A CB -0.544 18.534 19.000 0.130 0.000 0.838 367 A HN 1.262 nan 8.150 nan 0.000 0.485 368 V N -5.604 114.328 119.914 0.030 0.000 3.160 368 V HA 0.677 4.784 4.120 -0.023 0.000 0.310 368 V C -3.402 172.570 176.094 -0.203 0.000 1.181 368 V CA -2.951 59.284 62.300 -0.107 0.000 1.047 368 V CB 1.654 33.377 31.823 -0.167 0.000 1.068 368 V HN -0.025 nan 8.190 nan 0.000 0.441 369 P HA 0.204 nan 4.420 nan 0.000 0.266 369 P C 0.315 177.427 177.300 -0.314 0.000 1.195 369 P CA 0.273 63.165 63.100 -0.346 0.000 0.768 369 P CB 0.325 31.692 31.700 -0.555 0.000 0.838 370 N N 1.597 120.210 118.700 -0.146 0.000 2.205 370 N HA -0.198 4.528 4.740 -0.023 0.000 0.186 370 N C 1.583 177.050 175.510 -0.073 0.000 1.015 370 N CA 1.212 54.205 53.050 -0.094 0.000 0.862 370 N CB -0.707 37.749 38.487 -0.052 0.000 0.986 370 N HN 0.587 nan 8.380 nan 0.000 0.429 371 Y N -0.107 120.170 120.300 -0.039 0.000 2.384 371 Y HA -0.023 4.513 4.550 -0.023 0.000 0.289 371 Y C 1.278 177.152 175.900 -0.044 0.000 1.152 371 Y CA 0.871 58.950 58.100 -0.035 0.000 1.258 371 Y CB -0.535 37.910 38.460 -0.025 0.000 0.979 371 Y HN -0.149 nan 8.280 nan 0.000 0.549 372 D N -0.071 120.003 120.400 -0.543 0.000 2.369 372 D HA -0.017 4.609 4.640 -0.023 0.000 0.211 372 D C -0.234 175.935 176.300 -0.218 0.000 1.077 372 D CA 0.053 53.797 54.000 -0.426 0.000 0.842 372 D CB -0.314 40.083 40.800 -0.671 0.000 0.947 372 D HN 0.308 nan 8.370 nan 0.000 0.509 373 N N 1.528 120.139 118.700 -0.149 0.000 2.399 373 N HA -0.034 4.692 4.740 -0.023 0.000 0.259 373 N C 0.694 176.155 175.510 -0.082 0.000 1.160 373 N CA -0.124 52.891 53.050 -0.059 0.000 0.946 373 N CB 0.583 39.089 38.487 0.032 0.000 1.156 373 N HN -0.066 nan 8.380 nan 0.000 0.489 374 M N 3.401 122.882 119.600 -0.199 0.000 2.722 374 M HA 0.008 4.474 4.480 -0.023 0.000 0.238 374 M C 0.057 176.088 176.300 -0.448 0.000 1.098 374 M CA 0.410 55.521 55.300 -0.316 0.000 1.062 374 M CB -0.939 31.422 32.600 -0.399 0.000 1.573 374 M HN 0.378 nan 8.290 nan 0.000 0.531 375 F N 0.347 120.210 119.950 -0.144 0.000 2.668 375 F HA 0.464 4.978 4.527 -0.022 0.000 0.297 375 F C 1.376 177.147 175.800 -0.049 0.000 1.124 375 F CA 0.032 57.951 58.000 -0.135 0.000 1.353 375 F CB -0.284 38.566 39.000 -0.249 0.000 0.992 375 F HN 0.316 nan 8.300 nan 0.000 0.524 376 A N -0.396 122.461 122.820 0.061 0.000 2.952 376 A HA 0.178 4.485 4.320 -0.023 0.000 0.252 376 A C 0.980 178.600 177.584 0.060 0.000 1.323 376 A CA 0.657 52.723 52.037 0.048 0.000 0.957 376 A CB -1.928 17.104 19.000 0.054 0.000 1.130 376 A HN 1.604 nan 8.150 nan 0.000 0.799 377 G N -2.535 106.317 108.800 0.086 0.000 2.697 377 G HA2 0.455 4.402 3.960 -0.023 0.000 0.686 377 G HA3 0.455 4.402 3.960 -0.023 0.000 0.686 377 G C -0.376 174.589 174.900 0.108 0.000 1.179 377 G CA 0.549 45.689 45.100 0.067 0.000 0.765 377 G HN 2.166 nan 8.290 nan 0.000 0.649 378 S N -0.457 115.283 115.700 0.068 0.000 2.664 378 S HA 0.595 5.051 4.470 -0.023 0.000 0.304 378 S C 1.361 175.975 174.600 0.023 0.000 1.099 378 S CA 0.231 58.464 58.200 0.056 0.000 1.003 378 S CB 1.715 64.902 63.200 -0.022 0.000 1.092 378 S HN 1.063 nan 8.310 nan 0.000 0.525 379 N N 0.641 119.408 118.700 0.113 0.000 2.289 379 N HA 0.072 4.798 4.740 -0.023 0.000 0.184 379 N C -0.751 174.868 175.510 0.182 0.000 1.016 379 N CA 1.325 54.504 53.050 0.214 0.000 0.872 379 N CB -0.078 38.615 38.487 0.344 0.000 0.973 379 N HN 0.455 nan 8.380 nan 0.000 0.433 380 F N -0.289 119.544 119.950 -0.194 0.000 2.581 380 F HA 0.302 4.816 4.527 -0.021 0.000 0.311 380 F C -0.422 174.890 175.800 -0.813 0.000 1.113 380 F CA -1.291 56.437 58.000 -0.454 0.000 0.935 380 F CB 1.624 40.285 39.000 -0.564 0.000 1.232 380 F HN -0.042 nan 8.300 nan 0.000 0.445 381 D N 1.247 121.330 120.400 -0.528 0.000 2.714 381 D HA 0.487 5.113 4.640 -0.023 0.000 0.278 381 D C 0.732 176.796 176.300 -0.392 0.000 1.102 381 D CA -0.388 53.355 54.000 -0.428 0.000 1.108 381 D CB 1.048 41.707 40.800 -0.235 0.000 1.444 381 D HN 0.523 nan 8.370 nan 0.000 0.568 382 A N -0.131 122.512 122.820 -0.294 0.000 2.032 382 A HA -0.225 4.081 4.320 -0.023 0.000 0.221 382 A C 1.645 179.178 177.584 -0.086 0.000 1.165 382 A CA 1.673 53.507 52.037 -0.338 0.000 0.645 382 A CB -0.875 18.232 19.000 0.178 0.000 0.807 382 A HN 0.652 nan 8.150 nan 0.000 0.453 383 E N -0.512 119.687 120.200 -0.002 0.000 2.511 383 E HA -0.080 4.257 4.350 -0.023 0.000 0.196 383 E C 0.429 177.047 176.600 0.030 0.000 1.066 383 E CA 0.519 56.961 56.400 0.071 0.000 0.871 383 E CB -0.004 29.741 29.700 0.075 0.000 0.863 383 E HN 0.576 nan 8.360 nan 0.000 0.520 384 D N -0.341 120.032 120.400 -0.045 0.000 2.366 384 D HA -0.005 4.621 4.640 -0.023 0.000 0.205 384 D C 1.312 177.765 176.300 0.254 0.000 1.022 384 D CA 0.078 54.118 54.000 0.066 0.000 0.868 384 D CB 0.084 40.899 40.800 0.025 0.000 0.953 384 D HN 0.064 nan 8.370 nan 0.000 0.514 385 F N 2.197 122.328 119.950 0.302 0.000 2.063 385 F HA -0.259 4.253 4.527 -0.024 0.000 0.297 385 F C 2.075 178.000 175.800 0.208 0.000 1.099 385 F CA 1.366 59.510 58.000 0.240 0.000 1.220 385 F CB -0.953 38.135 39.000 0.146 0.000 0.972 385 F HN -0.053 nan 8.300 nan 0.000 0.487 386 D N -0.365 120.247 120.400 0.353 0.000 2.149 386 D HA -0.154 4.472 4.640 -0.023 0.000 0.198 386 D C 2.032 178.460 176.300 0.213 0.000 0.990 386 D CA 1.433 55.568 54.000 0.225 0.000 0.839 386 D CB -0.300 40.594 40.800 0.156 0.000 0.948 386 D HN 0.272 nan 8.370 nan 0.000 0.460 387 D N -0.926 119.623 120.400 0.248 0.000 2.117 387 D HA -0.151 4.475 4.640 -0.023 0.000 0.198 387 D C 1.851 178.338 176.300 0.311 0.000 0.982 387 D CA 0.592 54.740 54.000 0.247 0.000 0.828 387 D CB -0.219 40.732 40.800 0.252 0.000 0.967 387 D HN 0.321 nan 8.370 nan 0.000 0.464 388 Y N 1.976 122.440 120.300 0.274 0.000 2.165 388 Y HA -0.218 4.318 4.550 -0.023 0.000 0.286 388 Y C 2.119 178.113 175.900 0.158 0.000 1.155 388 Y CA 1.346 59.596 58.100 0.251 0.000 1.164 388 Y CB 0.076 38.712 38.460 0.294 0.000 0.978 388 Y HN -0.077 nan 8.280 nan 0.000 0.513 389 N N 0.479 119.288 118.700 0.182 0.000 2.188 389 N HA -0.177 4.549 4.740 -0.023 0.000 0.184 389 N C 1.828 177.342 175.510 0.007 0.000 1.018 389 N CA 1.710 54.785 53.050 0.042 0.000 0.858 389 N CB -0.310 38.221 38.487 0.074 0.000 0.989 389 N HN 0.449 nan 8.380 nan 0.000 0.426 390 I N 0.991 121.593 120.570 0.053 0.000 2.394 390 I HA -0.187 3.969 4.170 -0.023 0.000 0.251 390 I C 2.101 178.235 176.117 0.030 0.000 1.136 390 I CA 0.557 61.883 61.300 0.043 0.000 1.425 390 I CB -0.048 37.992 38.000 0.067 0.000 1.079 390 I HN 0.058 nan 8.210 nan 0.000 0.425 391 L N -0.083 121.149 121.223 0.016 0.000 2.017 391 L HA -0.264 4.062 4.340 -0.023 0.000 0.208 391 L C 2.644 179.489 176.870 -0.041 0.000 1.073 391 L CA 1.557 56.394 54.840 -0.006 0.000 0.745 391 L CB -0.643 41.403 42.059 -0.021 0.000 0.894 391 L HN 0.309 nan 8.230 nan 0.000 0.432 392 Q N -0.498 119.233 119.800 -0.115 0.000 2.096 392 Q HA -0.275 4.051 4.340 -0.023 0.000 0.204 392 Q C 2.295 178.352 176.000 0.094 0.000 0.982 392 Q CA 1.649 57.415 55.803 -0.062 0.000 0.850 392 Q CB -0.242 28.431 28.738 -0.108 0.000 0.901 392 Q HN 0.405 nan 8.270 nan 0.000 0.422 393 R N 0.662 121.214 120.500 0.086 0.000 2.075 393 R HA -0.146 4.180 4.340 -0.023 0.000 0.232 393 R C 1.280 177.688 176.300 0.180 0.000 1.126 393 R CA 1.577 57.763 56.100 0.143 0.000 0.963 393 R CB 0.101 30.411 30.300 0.015 0.000 0.858 393 R HN 0.174 nan 8.270 nan 0.000 0.435 394 D N 0.243 120.702 120.400 0.098 0.000 2.178 394 D HA -0.091 4.535 4.640 -0.023 0.000 0.202 394 D C 1.450 177.796 176.300 0.076 0.000 0.974 394 D CA 1.110 55.160 54.000 0.083 0.000 0.841 394 D CB 0.211 41.044 40.800 0.055 0.000 0.953 394 D HN 0.323 nan 8.370 nan 0.000 0.478 395 L N -0.803 120.454 121.223 0.057 0.000 2.858 395 L HA 0.316 4.643 4.340 -0.023 0.000 0.251 395 L C 0.656 177.504 176.870 -0.036 0.000 1.149 395 L CA -0.233 54.613 54.840 0.011 0.000 0.955 395 L CB 0.329 42.384 42.059 -0.007 0.000 1.289 395 L HN -0.107 nan 8.230 nan 0.000 0.542 396 M N 0.649 120.248 119.600 -0.001 0.000 2.632 396 M HA -0.210 4.256 4.480 -0.023 0.000 0.184 396 M C -0.608 175.586 176.300 -0.176 0.000 0.976 396 M CA 0.057 55.228 55.300 -0.214 0.000 0.612 396 M CB -0.408 31.860 32.600 -0.553 0.000 1.181 396 M HN 0.065 nan 8.290 nan 0.000 0.840 397 V N -0.375 119.504 119.914 -0.059 0.000 3.455 397 V HA 0.108 4.214 4.120 -0.023 0.000 0.250 397 V C 0.525 176.615 176.094 -0.006 0.000 1.230 397 V CA 1.177 63.446 62.300 -0.052 0.000 1.105 397 V CB 0.526 32.320 31.823 -0.048 0.000 0.850 397 V HN 0.863 nan 8.190 nan 0.000 0.461 398 D N 0.974 121.386 120.400 0.020 0.000 4.044 398 D HA -0.122 4.504 4.640 -0.023 0.000 0.242 398 D C 0.865 177.185 176.300 0.034 0.000 1.076 398 D CA 0.817 54.852 54.000 0.058 0.000 1.171 398 D CB -0.987 39.908 40.800 0.158 0.000 0.866 398 D HN 0.441 nan 8.370 nan 0.000 0.413 399 G N 2.008 110.794 108.800 -0.023 0.000 3.141 399 G HA2 0.436 4.382 3.960 -0.023 0.000 0.218 399 G HA3 0.436 4.382 3.960 -0.023 0.000 0.218 399 G C 1.298 176.321 174.900 0.206 0.000 1.170 399 G CA 0.454 45.599 45.100 0.075 0.000 0.769 399 G HN 1.552 nan 8.290 nan 0.000 0.546 400 G N -1.005 107.836 108.800 0.069 0.000 2.137 400 G HA2 -0.166 3.780 3.960 -0.023 0.000 0.237 400 G HA3 -0.166 3.780 3.960 -0.023 0.000 0.237 400 G C -0.255 174.579 174.900 -0.110 0.000 1.002 400 G CA 0.266 45.361 45.100 -0.009 0.000 0.702 400 G HN 0.484 nan 8.290 nan 0.000 0.515 401 L N -0.359 120.830 121.223 -0.057 0.000 2.445 401 L HA 0.798 5.124 4.340 -0.023 0.000 0.262 401 L C 0.259 177.069 176.870 -0.101 0.000 0.974 401 L CA -1.178 53.558 54.840 -0.173 0.000 0.822 401 L CB 2.027 44.000 42.059 -0.144 0.000 1.339 401 L HN 0.499 nan 8.230 nan 0.000 0.409 402 R N 1.653 122.061 120.500 -0.153 0.000 2.892 402 R HA 0.899 5.225 4.340 -0.023 0.000 0.265 402 R C -2.778 173.450 176.300 -0.121 0.000 1.025 402 R CA -1.901 54.135 56.100 -0.108 0.000 0.982 402 R CB 1.178 31.418 30.300 -0.101 0.000 1.185 402 R HN 0.238 nan 8.270 nan 0.000 0.484 403 P HA 0.161 nan 4.420 nan 0.000 0.274 403 P C -1.089 176.153 177.300 -0.096 0.000 1.246 403 P CA -0.619 62.433 63.100 -0.079 0.000 0.795 403 P CB 1.049 32.718 31.700 -0.051 0.000 1.006 404 V N -2.724 117.135 119.914 -0.092 0.000 2.851 404 V HA 0.631 4.737 4.120 -0.023 0.000 0.307 404 V C -0.182 175.880 176.094 -0.053 0.000 1.129 404 V CA -0.892 61.358 62.300 -0.083 0.000 0.932 404 V CB 1.076 32.829 31.823 -0.116 0.000 1.024 404 V HN 0.675 nan 8.190 nan 0.000 0.426 405 T N -0.869 113.662 114.554 -0.038 0.000 2.868 405 T HA 0.316 4.652 4.350 -0.023 0.000 0.292 405 T C 0.856 175.549 174.700 -0.010 0.000 1.028 405 T CA 0.665 62.753 62.100 -0.020 0.000 1.059 405 T CB 1.505 70.364 68.868 -0.015 0.000 0.991 405 T HN 0.995 nan 8.240 nan 0.000 0.531 406 E N 0.775 120.979 120.200 0.006 0.000 2.110 406 E HA -0.135 4.202 4.350 -0.023 0.000 0.193 406 E C 2.292 178.908 176.600 0.028 0.000 0.988 406 E CA 1.066 57.481 56.400 0.024 0.000 0.804 406 E CB -0.454 29.268 29.700 0.037 0.000 0.745 406 E HN 0.831 nan 8.360 nan 0.000 0.458 407 A N 1.209 124.042 122.820 0.021 0.000 1.858 407 A HA -0.230 4.077 4.320 -0.023 0.000 0.216 407 A C 1.931 179.520 177.584 0.008 0.000 1.190 407 A CA 1.660 53.710 52.037 0.023 0.000 0.617 407 A CB -0.582 18.428 19.000 0.017 0.000 0.827 407 A HN 0.284 nan 8.150 nan 0.000 0.443 408 E N -0.979 119.218 120.200 -0.005 0.000 2.097 408 E HA -0.215 4.121 4.350 -0.023 0.000 0.196 408 E C 2.273 178.861 176.600 -0.021 0.000 1.000 408 E CA 1.976 58.366 56.400 -0.016 0.000 0.804 408 E CB -0.269 29.415 29.700 -0.027 0.000 0.740 408 E HN 0.835 nan 8.360 nan 0.000 0.454 409 T N -0.794 113.747 114.554 -0.022 0.000 2.896 409 T HA -0.022 4.315 4.350 -0.023 0.000 0.263 409 T C 1.960 176.639 174.700 -0.035 0.000 1.050 409 T CA 0.494 62.577 62.100 -0.029 0.000 1.140 409 T CB -0.241 68.610 68.868 -0.028 0.000 0.877 409 T HN 0.064 nan 8.240 nan 0.000 0.457 410 I N 1.760 122.314 120.570 -0.026 0.000 2.286 410 I HA -0.088 4.069 4.170 -0.023 0.000 0.248 410 I C 3.133 179.198 176.117 -0.087 0.000 1.115 410 I CA 1.208 62.465 61.300 -0.073 0.000 1.392 410 I CB -0.496 37.505 38.000 0.002 0.000 1.065 410 I HN 0.410 nan 8.210 nan 0.000 0.418 411 A N 0.478 123.277 122.820 -0.036 0.000 1.897 411 A HA -0.165 4.141 4.320 -0.023 0.000 0.215 411 A C 2.234 179.804 177.584 -0.023 0.000 1.181 411 A CA 1.298 53.322 52.037 -0.023 0.000 0.620 411 A CB -0.588 18.410 19.000 -0.003 0.000 0.821 411 A HN 0.322 nan 8.150 nan 0.000 0.443 412 I N -0.517 120.038 120.570 -0.025 0.000 2.353 412 I HA -0.146 4.010 4.170 -0.023 0.000 0.248 412 I C 2.490 178.588 176.117 -0.032 0.000 1.119 412 I CA 0.949 62.238 61.300 -0.019 0.000 1.417 412 I CB -0.195 37.793 38.000 -0.020 0.000 1.078 412 I HN 0.180 nan 8.210 nan 0.000 0.421 413 R N -0.171 120.295 120.500 -0.057 0.000 2.080 413 R HA -0.239 4.088 4.340 -0.023 0.000 0.236 413 R C 2.228 178.474 176.300 -0.089 0.000 1.137 413 R CA 1.961 58.013 56.100 -0.079 0.000 0.943 413 R CB -0.750 29.480 30.300 -0.117 0.000 0.846 413 R HN 0.541 nan 8.270 nan 0.000 0.431 414 Q N 1.039 120.779 119.800 -0.101 0.000 2.020 414 Q HA -0.207 4.119 4.340 -0.023 0.000 0.202 414 Q C 2.144 178.134 176.000 -0.017 0.000 0.982 414 Q CA 1.881 57.636 55.803 -0.079 0.000 0.838 414 Q CB -0.047 28.646 28.738 -0.076 0.000 0.899 414 Q HN 0.166 nan 8.270 nan 0.000 0.423 415 K N -0.351 120.058 120.400 0.016 0.000 2.044 415 K HA -0.206 4.100 4.320 -0.023 0.000 0.210 415 K C 1.927 178.539 176.600 0.020 0.000 1.049 415 K CA 1.445 57.783 56.287 0.084 0.000 0.927 415 K CB -0.280 32.278 32.500 0.096 0.000 0.713 415 K HN 0.307 nan 8.250 nan 0.000 0.443 416 A N 0.761 123.561 122.820 -0.033 0.000 1.898 416 A HA -0.039 4.267 4.320 -0.023 0.000 0.216 416 A C 2.304 179.814 177.584 -0.123 0.000 1.181 416 A CA 1.681 53.667 52.037 -0.086 0.000 0.620 416 A CB -0.743 18.221 19.000 -0.060 0.000 0.819 416 A HN 0.486 nan 8.150 nan 0.000 0.442 417 A N -0.291 122.470 122.820 -0.098 0.000 1.933 417 A HA -0.151 4.156 4.320 -0.023 0.000 0.218 417 A C 2.254 179.770 177.584 -0.114 0.000 1.175 417 A CA 1.565 53.535 52.037 -0.112 0.000 0.628 417 A CB -0.378 18.563 19.000 -0.099 0.000 0.814 417 A HN 0.546 nan 8.150 nan 0.000 0.444 418 R N -0.971 119.489 120.500 -0.067 0.000 2.127 418 R HA 0.139 4.466 4.340 -0.023 0.000 0.217 418 R C 2.443 178.643 176.300 -0.167 0.000 1.074 418 R CA 0.822 56.917 56.100 -0.009 0.000 0.991 418 R CB -0.297 30.097 30.300 0.156 0.000 0.895 418 R HN 0.483 nan 8.270 nan 0.000 0.450 419 A N 1.282 123.822 122.820 -0.467 0.000 1.902 419 A HA -0.167 4.140 4.320 -0.023 0.000 0.217 419 A C 2.017 179.272 177.584 -0.548 0.000 1.181 419 A CA 1.174 52.532 52.037 -1.132 0.000 0.623 419 A CB -0.298 18.139 19.000 -0.938 0.000 0.818 419 A HN 0.228 nan 8.150 nan 0.000 0.443 420 I N -0.286 120.102 120.570 -0.304 0.000 2.439 420 I HA -0.179 3.977 4.170 -0.023 0.000 0.251 420 I C 2.372 178.398 176.117 -0.153 0.000 1.139 420 I CA 1.722 62.915 61.300 -0.180 0.000 1.438 420 I CB -0.403 37.480 38.000 -0.195 0.000 1.085 420 I HN 0.559 nan 8.210 nan 0.000 0.427 421 Q N 0.584 120.277 119.800 -0.177 0.000 2.050 421 Q HA -0.214 4.112 4.340 -0.023 0.000 0.202 421 Q C 2.198 178.202 176.000 0.007 0.000 0.980 421 Q CA 1.977 57.709 55.803 -0.119 0.000 0.840 421 Q CB -0.237 28.455 28.738 -0.077 0.000 0.898 421 Q HN 0.580 nan 8.270 nan 0.000 0.424 422 A N 0.078 122.903 122.820 0.008 0.000 1.933 422 A HA -0.111 4.195 4.320 -0.023 0.000 0.218 422 A C 2.186 179.821 177.584 0.085 0.000 1.175 422 A CA 1.442 53.533 52.037 0.090 0.000 0.628 422 A CB -0.600 18.526 19.000 0.211 0.000 0.814 422 A HN 0.313 nan 8.150 nan 0.000 0.444 423 V N -1.395 118.551 119.914 0.052 0.000 2.407 423 V HA -0.207 3.899 4.120 -0.023 0.000 0.248 423 V C 2.229 178.397 176.094 0.124 0.000 1.055 423 V CA 1.758 64.105 62.300 0.078 0.000 1.049 423 V CB -0.948 30.912 31.823 0.061 0.000 0.662 423 V HN 0.533 nan 8.190 nan 0.000 0.455 424 F N 0.351 120.247 119.950 -0.091 0.000 2.259 424 F HA -0.024 4.490 4.527 -0.023 0.000 0.298 424 F C 2.495 178.269 175.800 -0.042 0.000 1.088 424 F CA 1.447 59.389 58.000 -0.096 0.000 1.358 424 F CB -0.460 38.459 39.000 -0.135 0.000 1.040 424 F HN -0.006 nan 8.300 nan 0.000 0.505 425 R N 0.360 120.953 120.500 0.155 0.000 2.062 425 R HA -0.124 4.202 4.340 -0.023 0.000 0.231 425 R C 2.282 178.617 176.300 0.058 0.000 1.136 425 R CA 1.451 57.607 56.100 0.094 0.000 0.948 425 R CB -0.182 30.170 30.300 0.086 0.000 0.845 425 R HN 0.013 nan 8.270 nan 0.000 0.430 426 E N 0.436 120.668 120.200 0.055 0.000 2.038 426 E HA -0.194 4.142 4.350 -0.023 0.000 0.195 426 E C 1.722 178.327 176.600 0.009 0.000 1.000 426 E CA 1.138 57.559 56.400 0.035 0.000 0.803 426 E CB -0.200 29.526 29.700 0.043 0.000 0.750 426 E HN 0.224 nan 8.360 nan 0.000 0.448 427 L N -0.114 121.096 121.223 -0.021 0.000 2.610 427 L HA 0.102 4.428 4.340 -0.023 0.000 0.232 427 L C 1.123 177.960 176.870 -0.054 0.000 1.149 427 L CA 0.957 55.765 54.840 -0.054 0.000 0.872 427 L CB -0.732 41.260 42.059 -0.112 0.000 0.992 427 L HN 0.262 nan 8.230 nan 0.000 0.447 428 G N -0.061 108.723 108.800 -0.026 0.000 2.295 428 G HA2 -0.269 3.677 3.960 -0.023 0.000 0.287 428 G HA3 -0.269 3.677 3.960 -0.023 0.000 0.287 428 G C 0.231 175.121 174.900 -0.017 0.000 1.055 428 G CA 0.388 45.484 45.100 -0.006 0.000 0.922 428 G HN 0.313 nan 8.290 nan 0.000 0.503 429 L N -0.856 120.330 121.223 -0.063 0.000 2.400 429 L HA 0.512 4.838 4.340 -0.023 0.000 0.264 429 L C -1.716 175.222 176.870 0.113 0.000 1.061 429 L CA -2.634 52.161 54.840 -0.076 0.000 0.799 429 L CB 0.673 42.365 42.059 -0.611 0.000 1.240 429 L HN -0.136 nan 8.230 nan 0.000 0.461 430 P HA -0.000 nan 4.420 nan 0.000 0.261 430 P C -2.314 175.131 177.300 0.242 0.000 1.183 430 P CA -0.490 62.735 63.100 0.208 0.000 0.761 430 P CB -0.284 31.558 31.700 0.236 0.000 0.785 431 P HA -0.010 nan 4.420 nan 0.000 0.267 431 P C -0.396 176.926 177.300 0.037 0.000 1.201 431 P CA 0.723 63.883 63.100 0.102 0.000 0.775 431 P CB 0.663 32.403 31.700 0.065 0.000 0.854 432 I N 1.433 121.986 120.570 -0.028 0.000 2.428 432 I HA 0.254 4.410 4.170 -0.023 0.000 0.279 432 I C 0.947 177.029 176.117 -0.058 0.000 1.040 432 I CA -0.834 60.395 61.300 -0.118 0.000 1.171 432 I CB 1.004 38.842 38.000 -0.270 0.000 1.312 432 I HN 0.382 nan 8.210 nan 0.000 0.470 433 A N 4.507 127.309 122.820 -0.031 0.000 2.536 433 A HA -0.019 4.287 4.320 -0.023 0.000 0.234 433 A C 1.106 178.681 177.584 -0.015 0.000 1.076 433 A CA 0.165 52.196 52.037 -0.010 0.000 0.769 433 A CB 0.184 19.183 19.000 -0.000 0.000 1.020 433 A HN 0.721 nan 8.150 nan 0.000 0.508 434 D N -0.321 120.080 120.400 0.002 0.000 2.269 434 D HA -0.095 4.531 4.640 -0.023 0.000 0.208 434 D C 1.630 177.937 176.300 0.012 0.000 0.963 434 D CA 1.200 55.204 54.000 0.007 0.000 0.864 434 D CB 0.091 40.903 40.800 0.019 0.000 0.936 434 D HN 0.839 nan 8.370 nan 0.000 0.505 435 E N 0.845 121.052 120.200 0.013 0.000 2.204 435 E HA -0.155 4.181 4.350 -0.023 0.000 0.194 435 E C 1.516 178.124 176.600 0.014 0.000 0.989 435 E CA 0.730 57.143 56.400 0.021 0.000 0.824 435 E CB 0.271 29.982 29.700 0.019 0.000 0.756 435 E HN 0.305 nan 8.360 nan 0.000 0.477 436 E N -0.309 119.886 120.200 -0.008 0.000 2.051 436 E HA -0.118 4.219 4.350 -0.023 0.000 0.189 436 E C 2.141 178.718 176.600 -0.039 0.000 0.979 436 E CA 1.067 57.450 56.400 -0.029 0.000 0.803 436 E CB 0.210 29.875 29.700 -0.058 0.000 0.761 436 E HN 0.116 nan 8.360 nan 0.000 0.451 437 V N 1.527 121.414 119.914 -0.044 0.000 2.490 437 V HA -0.243 3.863 4.120 -0.023 0.000 0.250 437 V C 2.220 178.292 176.094 -0.038 0.000 1.061 437 V CA 1.778 64.046 62.300 -0.053 0.000 1.064 437 V CB -0.434 31.366 31.823 -0.038 0.000 0.670 437 V HN 0.193 nan 8.190 nan 0.000 0.461 438 E N 1.011 121.215 120.200 0.006 0.000 2.007 438 E HA -0.165 4.172 4.350 -0.023 0.000 0.194 438 E C 2.264 178.911 176.600 0.078 0.000 0.999 438 E CA 1.797 58.234 56.400 0.062 0.000 0.811 438 E CB -0.721 29.035 29.700 0.094 0.000 0.762 438 E HN 0.436 nan 8.360 nan 0.000 0.450 439 A N 0.888 123.751 122.820 0.072 0.000 1.892 439 A HA -0.189 4.117 4.320 -0.023 0.000 0.218 439 A C 2.438 180.048 177.584 0.043 0.000 1.188 439 A CA 2.673 54.759 52.037 0.082 0.000 0.631 439 A CB -1.237 17.794 19.000 0.052 0.000 0.822 439 A HN 0.396 nan 8.150 nan 0.000 0.447 440 A N -1.394 121.417 122.820 -0.015 0.000 2.070 440 A HA -0.049 4.257 4.320 -0.023 0.000 0.220 440 A C 2.215 179.745 177.584 -0.089 0.000 1.159 440 A CA 2.187 54.197 52.037 -0.045 0.000 0.656 440 A CB -1.023 17.934 19.000 -0.070 0.000 0.800 440 A HN 0.469 nan 8.150 nan 0.000 0.453 441 T N -1.438 113.010 114.554 -0.176 0.000 2.770 441 T HA -0.069 4.267 4.350 -0.023 0.000 0.263 441 T C 1.100 175.534 174.700 -0.444 0.000 1.039 441 T CA 1.591 63.455 62.100 -0.393 0.000 1.142 441 T CB -0.331 68.119 68.868 -0.696 0.000 0.868 441 T HN 0.625 nan 8.240 nan 0.000 0.435 442 Y N 0.843 121.161 120.300 0.031 0.000 2.507 442 Y HA 0.648 5.184 4.550 -0.023 0.000 0.254 442 Y C 1.014 176.951 175.900 0.062 0.000 1.171 442 Y CA -1.256 56.868 58.100 0.041 0.000 1.238 442 Y CB -0.289 38.190 38.460 0.032 0.000 1.148 442 Y HN 0.116 nan 8.280 nan 0.000 0.525 443 A N -0.255 122.653 122.820 0.147 0.000 2.332 443 A HA 0.266 4.572 4.320 -0.023 0.000 0.258 443 A C 0.652 178.347 177.584 0.185 0.000 1.087 443 A CA -0.007 52.120 52.037 0.150 0.000 0.802 443 A CB 0.387 19.443 19.000 0.094 0.000 1.042 443 A HN 0.496 nan 8.150 nan 0.000 0.489 444 H N 0.141 119.268 119.070 0.095 0.000 2.481 444 H HA 0.407 4.949 4.556 -0.023 0.000 0.291 444 H C 0.789 176.161 175.328 0.073 0.000 1.009 444 H CA 1.224 57.330 56.048 0.096 0.000 1.282 444 H CB 0.384 30.217 29.762 0.119 0.000 1.457 444 H HN 0.859 nan 8.280 nan 0.000 0.525 445 G N -1.257 107.560 108.800 0.028 0.000 2.788 445 G HA2 0.299 4.245 3.960 -0.023 0.000 0.293 445 G HA3 0.299 4.245 3.960 -0.023 0.000 0.293 445 G C 0.279 175.242 174.900 0.104 0.000 1.392 445 G CA -0.121 44.939 45.100 -0.066 0.000 0.810 445 G HN 0.252 nan 8.290 nan 0.000 0.508 446 S N -0.351 115.419 115.700 0.116 0.000 2.595 446 S HA -0.082 4.374 4.470 -0.023 0.000 0.235 446 S C 1.380 176.076 174.600 0.159 0.000 0.974 446 S CA 0.931 59.203 58.200 0.121 0.000 0.942 446 S CB -0.182 63.071 63.200 0.089 0.000 0.766 446 S HN 0.412 nan 8.310 nan 0.000 0.536 447 N N 1.851 120.691 118.700 0.233 0.000 2.459 447 N HA 0.009 4.735 4.740 -0.023 0.000 0.181 447 N C 0.941 176.499 175.510 0.081 0.000 1.046 447 N CA 0.949 54.061 53.050 0.103 0.000 0.904 447 N CB -0.157 38.356 38.487 0.043 0.000 0.964 447 N HN 0.577 nan 8.380 nan 0.000 0.444 448 E N -0.638 119.623 120.200 0.102 0.000 2.481 448 E HA 0.181 4.517 4.350 -0.023 0.000 0.198 448 E C -0.135 176.501 176.600 0.061 0.000 1.027 448 E CA 0.092 56.542 56.400 0.083 0.000 0.900 448 E CB 0.233 29.998 29.700 0.108 0.000 0.993 448 E HN 0.120 nan 8.360 nan 0.000 0.482 449 M N 2.428 122.058 119.600 0.050 0.000 2.144 449 M HA 0.295 4.761 4.480 -0.023 0.000 0.356 449 M C -2.241 174.072 176.300 0.022 0.000 1.217 449 M CA -2.930 52.386 55.300 0.026 0.000 1.087 449 M CB 0.152 32.758 32.600 0.010 0.000 1.609 449 M HN -0.150 nan 8.290 nan 0.000 0.467 450 P HA 0.292 nan 4.420 nan 0.000 0.272 450 P C -2.564 174.745 177.300 0.015 0.000 1.223 450 P CA -0.831 62.279 63.100 0.017 0.000 0.784 450 P CB -0.482 31.227 31.700 0.015 0.000 0.923 451 P HA 0.202 nan 4.420 nan 0.000 0.272 451 P C -0.329 176.991 177.300 0.034 0.000 1.230 451 P CA 0.013 63.129 63.100 0.027 0.000 0.788 451 P CB 1.116 32.834 31.700 0.029 0.000 0.949 452 R N 0.387 120.918 120.500 0.053 0.000 2.892 452 R HA 0.363 4.689 4.340 -0.023 0.000 0.265 452 R C 0.085 176.442 176.300 0.095 0.000 1.025 452 R CA -0.878 55.267 56.100 0.074 0.000 0.982 452 R CB 1.086 31.445 30.300 0.099 0.000 1.185 452 R HN 0.479 nan 8.270 nan 0.000 0.484 453 N N 0.562 119.323 118.700 0.101 0.000 2.482 453 N HA 0.046 4.772 4.740 -0.023 0.000 0.242 453 N C 0.818 176.402 175.510 0.123 0.000 1.100 453 N CA -0.251 52.855 53.050 0.093 0.000 0.946 453 N CB 0.762 39.293 38.487 0.074 0.000 1.227 453 N HN 0.313 nan 8.380 nan 0.000 0.508 454 V N 3.305 123.298 119.914 0.132 0.000 2.287 454 V HA -0.264 3.842 4.120 -0.023 0.000 0.248 454 V C 2.151 178.264 176.094 0.032 0.000 1.053 454 V CA 1.435 63.826 62.300 0.151 0.000 1.027 454 V CB -0.314 31.609 31.823 0.167 0.000 0.646 454 V HN 0.572 nan 8.190 nan 0.000 0.447 455 V N -0.251 119.677 119.914 0.024 0.000 2.282 455 V HA -0.315 3.791 4.120 -0.023 0.000 0.249 455 V C 2.550 178.636 176.094 -0.013 0.000 1.057 455 V CA 2.400 64.694 62.300 -0.010 0.000 1.032 455 V CB -0.697 31.128 31.823 0.004 0.000 0.645 455 V HN 0.538 nan 8.190 nan 0.000 0.447 456 E N 0.244 120.461 120.200 0.028 0.000 2.077 456 E HA -0.203 4.133 4.350 -0.023 0.000 0.193 456 E C 1.915 178.555 176.600 0.066 0.000 0.989 456 E CA 1.511 57.940 56.400 0.047 0.000 0.800 456 E CB -0.348 29.397 29.700 0.074 0.000 0.746 456 E HN 0.608 nan 8.360 nan 0.000 0.452 457 D N -0.310 120.152 120.400 0.102 0.000 2.097 457 D HA -0.125 4.502 4.640 -0.023 0.000 0.197 457 D C 2.124 178.345 176.300 -0.132 0.000 0.984 457 D CA 0.757 54.866 54.000 0.182 0.000 0.826 457 D CB -0.268 40.744 40.800 0.354 0.000 0.973 457 D HN 0.214 nan 8.370 nan 0.000 0.460 458 L N 0.622 121.667 121.223 -0.297 0.000 2.013 458 L HA -0.213 4.113 4.340 -0.023 0.000 0.212 458 L C 2.626 179.338 176.870 -0.262 0.000 1.073 458 L CA 1.212 55.811 54.840 -0.401 0.000 0.753 458 L CB -0.572 41.292 42.059 -0.325 0.000 0.890 458 L HN 0.035 nan 8.230 nan 0.000 0.432 459 S N -0.434 115.177 115.700 -0.148 0.000 2.370 459 S HA -0.225 4.232 4.470 -0.023 0.000 0.226 459 S C 2.105 176.648 174.600 -0.096 0.000 1.033 459 S CA 1.363 59.503 58.200 -0.099 0.000 1.011 459 S CB -0.121 63.049 63.200 -0.049 0.000 0.852 459 S HN 0.450 nan 8.310 nan 0.000 0.457 460 A N 0.909 123.692 122.820 -0.063 0.000 1.877 460 A HA -0.022 4.284 4.320 -0.023 0.000 0.216 460 A C 2.364 179.875 177.584 -0.121 0.000 1.186 460 A CA 1.883 53.916 52.037 -0.007 0.000 0.620 460 A CB -1.219 17.884 19.000 0.171 0.000 0.822 460 A HN 0.462 nan 8.150 nan 0.000 0.443 461 V N 0.181 119.859 119.914 -0.394 0.000 2.252 461 V HA -0.345 3.761 4.120 -0.023 0.000 0.249 461 V C 2.572 178.494 176.094 -0.287 0.000 1.056 461 V CA 2.535 64.477 62.300 -0.598 0.000 1.022 461 V CB -0.860 30.468 31.823 -0.825 0.000 0.641 461 V HN 0.797 nan 8.190 nan 0.000 0.445 462 E N -0.113 119.952 120.200 -0.226 0.000 2.085 462 E HA -0.288 4.049 4.350 -0.023 0.000 0.194 462 E C 2.148 178.689 176.600 -0.098 0.000 0.994 462 E CA 1.789 58.103 56.400 -0.143 0.000 0.801 462 E CB -0.092 29.536 29.700 -0.119 0.000 0.743 462 E HN 0.744 nan 8.360 nan 0.000 0.453 463 E N 0.376 120.525 120.200 -0.085 0.000 2.023 463 E HA -0.254 4.083 4.350 -0.023 0.000 0.196 463 E C 2.155 178.728 176.600 -0.045 0.000 1.003 463 E CA 1.649 58.019 56.400 -0.050 0.000 0.809 463 E CB -0.244 29.437 29.700 -0.031 0.000 0.755 463 E HN 0.334 nan 8.360 nan 0.000 0.449 464 M N 0.209 119.781 119.600 -0.048 0.000 2.089 464 M HA -0.240 4.226 4.480 -0.023 0.000 0.257 464 M C 1.961 178.241 176.300 -0.033 0.000 1.071 464 M CA 1.504 56.787 55.300 -0.028 0.000 1.096 464 M CB 0.026 32.624 32.600 -0.003 0.000 1.330 464 M HN 0.123 nan 8.290 nan 0.000 0.403 465 M N -0.380 119.187 119.600 -0.055 0.000 2.374 465 M HA -0.139 4.328 4.480 -0.023 0.000 0.264 465 M C 1.766 178.045 176.300 -0.034 0.000 1.067 465 M CA 1.499 56.772 55.300 -0.044 0.000 1.103 465 M CB -1.032 31.531 32.600 -0.061 0.000 1.402 465 M HN 0.146 nan 8.290 nan 0.000 0.444 466 K N -0.155 120.223 120.400 -0.036 0.000 2.098 466 K HA 0.052 4.359 4.320 -0.023 0.000 0.203 466 K C 1.908 178.496 176.600 -0.019 0.000 1.051 466 K CA 0.675 56.946 56.287 -0.027 0.000 0.957 466 K CB 0.030 32.512 32.500 -0.029 0.000 0.738 466 K HN 0.015 nan 8.250 nan 0.000 0.447 467 R N 1.173 121.662 120.500 -0.018 0.000 2.339 467 R HA 0.069 4.395 4.340 -0.023 0.000 0.199 467 R C -0.419 175.876 176.300 -0.009 0.000 1.018 467 R CA 0.274 56.367 56.100 -0.012 0.000 1.036 467 R CB -1.140 29.154 30.300 -0.011 0.000 0.899 467 R HN 0.444 nan 8.270 nan 0.000 0.473 468 N N 0.926 119.620 118.700 -0.011 0.000 2.708 468 N HA -0.171 4.555 4.740 -0.023 0.000 0.255 468 N C -0.675 174.834 175.510 -0.001 0.000 1.046 468 N CA -0.055 52.991 53.050 -0.006 0.000 0.715 468 N CB -0.560 37.924 38.487 -0.005 0.000 0.895 468 N HN 0.059 nan 8.380 nan 0.000 0.545 469 I N 1.273 121.843 120.570 0.000 0.000 2.588 469 I HA 0.080 4.236 4.170 -0.023 0.000 0.283 469 I C 1.640 177.765 176.117 0.013 0.000 1.119 469 I CA 0.633 61.936 61.300 0.006 0.000 1.419 469 I CB 0.616 38.621 38.000 0.007 0.000 1.394 469 I HN 0.301 nan 8.210 nan 0.000 0.562 470 T N 1.233 115.796 114.554 0.015 0.000 2.883 470 T HA 0.545 4.881 4.350 -0.023 0.000 0.284 470 T C 1.111 175.826 174.700 0.025 0.000 1.041 470 T CA -0.208 61.904 62.100 0.021 0.000 1.007 470 T CB 1.465 70.343 68.868 0.017 0.000 1.220 470 T HN 0.612 nan 8.240 nan 0.000 0.552 471 G N -0.140 108.679 108.800 0.032 0.000 2.432 471 G HA2 -0.029 3.917 3.960 -0.023 0.000 0.219 471 G HA3 -0.029 3.917 3.960 -0.023 0.000 0.219 471 G C 1.359 176.273 174.900 0.024 0.000 1.135 471 G CA 0.484 45.605 45.100 0.034 0.000 0.767 471 G HN 0.684 nan 8.290 nan 0.000 0.550 472 L N 0.486 121.719 121.223 0.017 0.000 2.131 472 L HA -0.066 4.260 4.340 -0.023 0.000 0.210 472 L C 2.307 179.185 176.870 0.012 0.000 1.092 472 L CA 1.094 55.941 54.840 0.011 0.000 0.759 472 L CB -0.337 41.727 42.059 0.007 0.000 0.903 472 L HN 0.160 nan 8.230 nan 0.000 0.435 473 D N 0.133 120.541 120.400 0.012 0.000 2.219 473 D HA -0.124 4.502 4.640 -0.023 0.000 0.205 473 D C 2.094 178.401 176.300 0.012 0.000 0.970 473 D CA 1.174 55.180 54.000 0.010 0.000 0.851 473 D CB 0.189 40.993 40.800 0.007 0.000 0.943 473 D HN 0.289 nan 8.370 nan 0.000 0.488 474 I N 0.407 120.987 120.570 0.016 0.000 2.500 474 I HA -0.156 4.000 4.170 -0.023 0.000 0.252 474 I C 2.425 178.556 176.117 0.024 0.000 1.142 474 I CA 0.438 61.749 61.300 0.019 0.000 1.451 474 I CB -0.265 37.750 38.000 0.025 0.000 1.093 474 I HN -0.177 nan 8.210 nan 0.000 0.430 475 V N 0.847 120.775 119.914 0.023 0.000 2.233 475 V HA -0.270 3.837 4.120 -0.023 0.000 0.247 475 V C 2.586 178.699 176.094 0.032 0.000 1.050 475 V CA 2.281 64.596 62.300 0.025 0.000 1.010 475 V CB -1.641 30.189 31.823 0.012 0.000 0.637 475 V HN 0.530 nan 8.190 nan 0.000 0.444 476 G N -0.317 108.499 108.800 0.026 0.000 2.545 476 G HA2 -0.302 3.644 3.960 -0.023 0.000 0.217 476 G HA3 -0.302 3.644 3.960 -0.023 0.000 0.217 476 G C 1.806 176.731 174.900 0.043 0.000 1.218 476 G CA 1.468 46.586 45.100 0.030 0.000 0.787 476 G HN 0.675 nan 8.290 nan 0.000 0.571 477 A N 0.195 123.038 122.820 0.038 0.000 2.023 477 A HA -0.112 4.194 4.320 -0.023 0.000 0.223 477 A C 2.466 180.099 177.584 0.082 0.000 1.180 477 A CA 1.870 53.936 52.037 0.048 0.000 0.659 477 A CB -0.425 18.593 19.000 0.030 0.000 0.817 477 A HN 0.410 nan 8.150 nan 0.000 0.466 478 L N -1.372 119.901 121.223 0.085 0.000 2.095 478 L HA -0.082 4.244 4.340 -0.023 0.000 0.204 478 L C 2.872 179.852 176.870 0.184 0.000 1.080 478 L CA 1.183 56.112 54.840 0.148 0.000 0.759 478 L CB -0.315 41.807 42.059 0.106 0.000 0.914 478 L HN 0.329 nan 8.230 nan 0.000 0.439 479 S N -0.162 115.603 115.700 0.109 0.000 2.343 479 S HA -0.173 4.283 4.470 -0.023 0.000 0.219 479 S C 1.966 176.609 174.600 0.072 0.000 1.033 479 S CA 1.226 59.474 58.200 0.080 0.000 1.014 479 S CB -0.258 62.970 63.200 0.047 0.000 0.915 479 S HN 0.315 nan 8.310 nan 0.000 0.435 480 R N 1.280 121.819 120.500 0.066 0.000 2.303 480 R HA -0.042 4.284 4.340 -0.023 0.000 0.225 480 R C 1.901 178.244 176.300 0.072 0.000 1.114 480 R CA 1.315 57.447 56.100 0.054 0.000 1.007 480 R CB -0.282 30.046 30.300 0.046 0.000 0.861 480 R HN 0.490 nan 8.270 nan 0.000 0.471 481 S N -2.009 113.767 115.700 0.128 0.000 2.540 481 S HA 0.232 4.688 4.470 -0.023 0.000 0.218 481 S C 1.270 175.920 174.600 0.083 0.000 0.977 481 S CA 0.147 58.455 58.200 0.180 0.000 0.918 481 S CB 1.256 64.649 63.200 0.322 0.000 0.806 481 S HN 0.428 nan 8.310 nan 0.000 0.496 482 G N 0.951 109.753 108.800 0.002 0.000 2.194 482 G HA2 -0.224 3.722 3.960 -0.023 0.000 0.236 482 G HA3 -0.224 3.722 3.960 -0.023 0.000 0.236 482 G C -0.072 174.648 174.900 -0.299 0.000 0.987 482 G CA -0.210 44.772 45.100 -0.196 0.000 0.635 482 G HN 0.521 nan 8.290 nan 0.000 0.520 483 F N 2.078 122.037 119.950 0.014 0.000 2.640 483 F HA 0.514 5.027 4.527 -0.023 0.000 0.331 483 F C 1.439 177.250 175.800 0.018 0.000 1.200 483 F CA -0.184 57.826 58.000 0.017 0.000 1.278 483 F CB 0.626 39.638 39.000 0.020 0.000 1.571 483 F HN 0.074 nan 8.300 nan 0.000 0.576 484 E N 0.400 120.664 120.200 0.106 0.000 2.204 484 E HA -0.204 4.132 4.350 -0.023 0.000 0.194 484 E C 1.617 178.268 176.600 0.085 0.000 0.989 484 E CA 1.490 57.937 56.400 0.078 0.000 0.824 484 E CB -0.140 29.581 29.700 0.034 0.000 0.756 484 E HN 0.620 nan 8.360 nan 0.000 0.477 485 D N 0.517 120.977 120.400 0.101 0.000 2.084 485 D HA -0.199 4.427 4.640 -0.023 0.000 0.194 485 D C 1.697 178.072 176.300 0.124 0.000 0.990 485 D CA 1.105 55.167 54.000 0.104 0.000 0.826 485 D CB -0.505 40.359 40.800 0.106 0.000 0.971 485 D HN 0.217 nan 8.370 nan 0.000 0.453 486 I N 0.768 121.431 120.570 0.155 0.000 2.315 486 I HA -0.173 3.984 4.170 -0.023 0.000 0.248 486 I C 2.595 178.770 176.117 0.098 0.000 1.117 486 I CA 1.026 62.402 61.300 0.128 0.000 1.404 486 I CB -0.447 37.615 38.000 0.103 0.000 1.071 486 I HN 0.099 nan 8.210 nan 0.000 0.419 487 A N -0.059 122.818 122.820 0.095 0.000 1.902 487 A HA -0.238 4.069 4.320 -0.023 0.000 0.217 487 A C 2.513 180.112 177.584 0.025 0.000 1.181 487 A CA 2.251 54.324 52.037 0.059 0.000 0.623 487 A CB -0.774 18.266 19.000 0.065 0.000 0.818 487 A HN 0.380 nan 8.150 nan 0.000 0.443 488 S N -0.154 115.559 115.700 0.022 0.000 2.383 488 S HA -0.149 4.307 4.470 -0.023 0.000 0.227 488 S C 1.946 176.489 174.600 -0.095 0.000 1.026 488 S CA 1.356 59.536 58.200 -0.033 0.000 0.981 488 S CB -0.545 62.648 63.200 -0.013 0.000 0.818 488 S HN 0.665 nan 8.310 nan 0.000 0.472 489 N N 1.489 120.202 118.700 0.022 0.000 2.106 489 N HA 0.012 4.739 4.740 -0.023 0.000 0.188 489 N C 1.788 177.329 175.510 0.051 0.000 1.029 489 N CA 1.389 54.520 53.050 0.134 0.000 0.848 489 N CB -0.488 38.221 38.487 0.370 0.000 1.007 489 N HN 0.447 nan 8.380 nan 0.000 0.423 490 I N 0.798 121.405 120.570 0.061 0.000 2.286 490 I HA -0.235 3.921 4.170 -0.023 0.000 0.248 490 I C 2.231 178.337 176.117 -0.020 0.000 1.115 490 I CA 0.596 61.928 61.300 0.053 0.000 1.392 490 I CB -0.142 37.888 38.000 0.051 0.000 1.065 490 I HN 0.054 nan 8.210 nan 0.000 0.418 491 L N 1.173 122.353 121.223 -0.072 0.000 2.083 491 L HA -0.194 4.132 4.340 -0.023 0.000 0.209 491 L C 2.045 178.799 176.870 -0.192 0.000 1.083 491 L CA 1.902 56.679 54.840 -0.105 0.000 0.752 491 L CB -0.907 41.092 42.059 -0.100 0.000 0.899 491 L HN 0.223 nan 8.230 nan 0.000 0.433 492 N N -1.122 117.349 118.700 -0.383 0.000 2.381 492 N HA -0.116 4.611 4.740 -0.023 0.000 0.182 492 N C 1.653 176.961 175.510 -0.337 0.000 1.025 492 N CA 1.033 53.721 53.050 -0.603 0.000 0.888 492 N CB -0.127 37.431 38.487 -1.550 0.000 0.965 492 N HN 0.347 nan 8.380 nan 0.000 0.438 493 M N 0.323 119.849 119.600 -0.123 0.000 2.123 493 M HA 0.044 4.510 4.480 -0.023 0.000 0.263 493 M C 2.110 178.394 176.300 -0.026 0.000 1.069 493 M CA 0.852 56.180 55.300 0.046 0.000 1.133 493 M CB -1.028 31.654 32.600 0.138 0.000 1.356 493 M HN 0.060 nan 8.290 nan 0.000 0.415 494 L N -0.650 120.558 121.223 -0.025 0.000 2.131 494 L HA -0.190 4.137 4.340 -0.023 0.000 0.210 494 L C 2.568 179.402 176.870 -0.059 0.000 1.092 494 L CA 1.029 55.859 54.840 -0.016 0.000 0.759 494 L CB -0.645 41.410 42.059 -0.007 0.000 0.903 494 L HN 0.304 nan 8.230 nan 0.000 0.435 495 R N -0.309 120.130 120.500 -0.102 0.000 2.152 495 R HA -0.157 4.169 4.340 -0.023 0.000 0.232 495 R C 2.256 178.472 176.300 -0.140 0.000 1.117 495 R CA 0.806 56.839 56.100 -0.112 0.000 0.981 495 R CB -0.205 30.012 30.300 -0.139 0.000 0.870 495 R HN 0.411 nan 8.270 nan 0.000 0.451 496 Q N 0.477 120.141 119.800 -0.227 0.000 2.234 496 Q HA -0.169 4.157 4.340 -0.023 0.000 0.206 496 Q C 1.812 177.621 176.000 -0.319 0.000 0.980 496 Q CA 1.392 56.935 55.803 -0.433 0.000 0.869 496 Q CB -0.190 27.963 28.738 -0.976 0.000 0.912 496 Q HN 0.420 nan 8.270 nan 0.000 0.436 497 R N -0.251 120.170 120.500 -0.132 0.000 2.189 497 R HA -0.029 4.297 4.340 -0.023 0.000 0.223 497 R C 2.289 178.600 176.300 0.018 0.000 1.092 497 R CA 0.817 56.933 56.100 0.026 0.000 0.989 497 R CB -0.116 30.223 30.300 0.065 0.000 0.876 497 R HN 0.062 nan 8.270 nan 0.000 0.457 498 V N 0.561 120.462 119.914 -0.022 0.000 2.302 498 V HA -0.208 3.899 4.120 -0.023 0.000 0.243 498 V C 2.641 178.732 176.094 -0.004 0.000 1.036 498 V CA 2.277 64.570 62.300 -0.011 0.000 1.020 498 V CB -0.727 31.081 31.823 -0.025 0.000 0.657 498 V HN 0.487 nan 8.190 nan 0.000 0.453 499 T N -1.609 112.932 114.554 -0.022 0.000 2.904 499 T HA 0.069 4.405 4.350 -0.023 0.000 0.267 499 T C 1.725 176.440 174.700 0.025 0.000 1.059 499 T CA 1.405 63.501 62.100 -0.006 0.000 1.137 499 T CB -0.266 68.589 68.868 -0.022 0.000 0.879 499 T HN 1.175 nan 8.240 nan 0.000 0.467 500 G N 1.281 110.109 108.800 0.046 0.000 2.155 500 G HA2 -0.272 3.674 3.960 -0.023 0.000 0.257 500 G HA3 -0.272 3.674 3.960 -0.023 0.000 0.257 500 G C 0.538 175.528 174.900 0.150 0.000 0.983 500 G CA 0.512 45.687 45.100 0.125 0.000 0.676 500 G HN 0.531 nan 8.290 nan 0.000 0.528 501 D N -0.455 120.012 120.400 0.112 0.000 2.144 501 D HA -0.061 4.566 4.640 -0.023 0.000 0.200 501 D C 1.923 178.346 176.300 0.204 0.000 0.978 501 D CA 1.441 55.509 54.000 0.115 0.000 0.833 501 D CB -0.172 40.666 40.800 0.063 0.000 0.961 501 D HN 0.753 nan 8.370 nan 0.000 0.470 502 Y N 0.298 120.610 120.300 0.020 0.000 2.506 502 Y HA 0.282 4.819 4.550 -0.023 0.000 0.333 502 Y C 1.127 177.034 175.900 0.012 0.000 1.177 502 Y CA -0.501 57.608 58.100 0.015 0.000 1.292 502 Y CB -0.822 37.650 38.460 0.020 0.000 1.124 502 Y HN -0.200 nan 8.280 nan 0.000 0.507 503 L N 0.141 121.458 121.223 0.157 0.000 2.463 503 L HA 0.190 4.516 4.340 -0.023 0.000 0.219 503 L C 0.973 177.832 176.870 -0.018 0.000 1.088 503 L CA 0.491 55.331 54.840 -0.000 0.000 0.849 503 L CB -0.408 41.692 42.059 0.069 0.000 1.012 503 L HN 0.181 nan 8.230 nan 0.000 0.468 504 Q N 0.035 119.846 119.800 0.020 0.000 2.417 504 Q HA 0.097 4.423 4.340 -0.023 0.000 0.241 504 Q C 0.103 176.094 176.000 -0.014 0.000 1.008 504 Q CA 0.057 55.861 55.803 0.003 0.000 0.901 504 Q CB 0.006 28.755 28.738 0.017 0.000 1.259 504 Q HN 0.101 nan 8.270 nan 0.000 0.489 505 T N 2.087 116.628 114.554 -0.021 0.000 2.819 505 T HA -0.040 4.297 4.350 -0.023 0.000 0.282 505 T C 0.534 175.227 174.700 -0.012 0.000 1.013 505 T CA 0.972 63.058 62.100 -0.024 0.000 1.159 505 T CB -0.103 68.749 68.868 -0.028 0.000 1.007 505 T HN 0.684 nan 8.240 nan 0.000 0.514 506 S N -0.209 115.498 115.700 0.011 0.000 3.476 506 S HA -0.202 4.254 4.470 -0.023 0.000 0.309 506 S C 0.624 175.238 174.600 0.022 0.000 1.222 506 S CA 0.351 58.571 58.200 0.033 0.000 0.922 506 S CB -1.708 61.467 63.200 -0.042 0.000 1.023 506 S HN 1.235 nan 8.310 nan 0.000 0.591 507 A N 0.928 123.764 122.820 0.027 0.000 2.450 507 A HA 0.648 4.954 4.320 -0.023 0.000 0.255 507 A C 0.516 178.139 177.584 0.066 0.000 1.096 507 A CA 0.139 52.199 52.037 0.039 0.000 0.778 507 A CB -0.049 18.987 19.000 0.060 0.000 1.031 507 A HN 0.998 nan 8.150 nan 0.000 0.494 508 I N -0.815 119.790 120.570 0.057 0.000 3.343 508 I HA 0.775 4.931 4.170 -0.023 0.000 0.315 508 I C -1.171 174.978 176.117 0.053 0.000 1.153 508 I CA -1.293 60.044 61.300 0.061 0.000 0.952 508 I CB 1.838 39.855 38.000 0.028 0.000 1.287 508 I HN 0.456 nan 8.210 nan 0.000 0.472 509 L N 1.177 122.417 121.223 0.028 0.000 2.323 509 L HA 0.555 4.881 4.340 -0.023 0.000 0.265 509 L C -1.116 175.709 176.870 -0.074 0.000 1.012 509 L CA -0.788 54.048 54.840 -0.006 0.000 0.820 509 L CB 1.926 43.987 42.059 0.003 0.000 1.334 509 L HN 0.733 nan 8.230 nan 0.000 0.427 510 D N -0.291 120.052 120.400 -0.095 0.000 2.549 510 D HA 0.279 4.905 4.640 -0.023 0.000 0.270 510 D C 0.851 177.015 176.300 -0.226 0.000 1.181 510 D CA -0.691 53.235 54.000 -0.122 0.000 1.070 510 D CB 0.746 41.504 40.800 -0.071 0.000 1.154 510 D HN 0.169 nan 8.370 nan 0.000 0.602 511 R N -0.812 119.578 120.500 -0.184 0.000 2.119 511 R HA -0.112 4.214 4.340 -0.023 0.000 0.246 511 R C 1.151 177.306 176.300 -0.241 0.000 1.146 511 R CA 1.369 57.338 56.100 -0.218 0.000 0.962 511 R CB -0.418 29.819 30.300 -0.105 0.000 0.863 511 R HN 0.596 nan 8.270 nan 0.000 0.442 512 Q N 0.113 119.864 119.800 -0.082 0.000 2.244 512 Q HA 0.064 4.390 4.340 -0.023 0.000 0.239 512 Q C -0.211 175.930 176.000 0.234 0.000 0.890 512 Q CA -0.369 55.493 55.803 0.098 0.000 0.964 512 Q CB -0.427 28.358 28.738 0.079 0.000 1.076 512 Q HN 0.188 nan 8.270 nan 0.000 0.447 513 F N 0.491 120.434 119.950 -0.011 0.000 3.048 513 F HA -0.259 4.255 4.527 -0.023 0.000 0.269 513 F C 0.274 176.058 175.800 -0.026 0.000 0.960 513 F CA 0.587 58.575 58.000 -0.020 0.000 0.909 513 F CB -1.765 37.217 39.000 -0.030 0.000 0.837 513 F HN 0.123 nan 8.300 nan 0.000 0.768 514 E N -0.337 119.916 120.200 0.089 0.000 2.179 514 E HA 0.610 4.946 4.350 -0.023 0.000 0.275 514 E C -0.251 176.370 176.600 0.035 0.000 0.945 514 E CA -0.685 55.749 56.400 0.056 0.000 0.792 514 E CB 1.483 31.204 29.700 0.036 0.000 1.125 514 E HN 0.054 nan 8.360 nan 0.000 0.397 515 V N 3.369 123.307 119.914 0.040 0.000 2.843 515 V HA 0.154 4.260 4.120 -0.023 0.000 0.305 515 V C -0.190 175.917 176.094 0.021 0.000 1.065 515 V CA -0.057 62.270 62.300 0.046 0.000 1.116 515 V CB 1.094 32.955 31.823 0.063 0.000 0.968 515 V HN 0.434 nan 8.190 nan 0.000 0.487 516 V N 4.250 124.172 119.914 0.012 0.000 2.568 516 V HA 0.472 4.578 4.120 -0.023 0.000 0.276 516 V C -0.161 175.917 176.094 -0.025 0.000 1.002 516 V CA -0.089 62.200 62.300 -0.017 0.000 0.879 516 V CB 1.483 33.281 31.823 -0.042 0.000 1.040 516 V HN 1.074 nan 8.190 nan 0.000 0.457 517 S N 3.320 119.009 115.700 -0.019 0.000 2.811 517 S HA 0.829 5.285 4.470 -0.023 0.000 0.311 517 S C 1.211 175.790 174.600 -0.035 0.000 1.152 517 S CA -0.012 58.173 58.200 -0.025 0.000 0.864 517 S CB 2.024 65.226 63.200 0.003 0.000 1.226 517 S HN 1.040 nan 8.310 nan 0.000 0.541 518 A N 0.224 123.023 122.820 -0.036 0.000 2.131 518 A HA 0.079 4.385 4.320 -0.023 0.000 0.220 518 A C 1.780 179.350 177.584 -0.022 0.000 1.158 518 A CA 1.617 53.632 52.037 -0.036 0.000 0.665 518 A CB -1.137 17.843 19.000 -0.034 0.000 0.795 518 A HN 0.787 nan 8.150 nan 0.000 0.460 519 V N 1.301 121.206 119.914 -0.014 0.000 2.446 519 V HA -0.114 3.992 4.120 -0.023 0.000 0.244 519 V C 1.862 177.953 176.094 -0.005 0.000 1.039 519 V CA 1.730 64.027 62.300 -0.006 0.000 1.045 519 V CB -0.705 31.118 31.823 0.001 0.000 0.681 519 V HN 0.864 nan 8.190 nan 0.000 0.459 520 N N -1.018 117.679 118.700 -0.006 0.000 2.203 520 N HA 0.048 4.774 4.740 -0.023 0.000 0.207 520 N C -0.124 175.379 175.510 -0.012 0.000 1.130 520 N CA 0.302 53.349 53.050 -0.005 0.000 0.861 520 N CB 0.461 38.948 38.487 -0.000 0.000 1.005 520 N HN 0.449 nan 8.380 nan 0.000 0.507 521 D N 0.793 121.181 120.400 -0.021 0.000 2.968 521 D HA 0.254 4.880 4.640 -0.023 0.000 0.301 521 D C -0.676 175.605 176.300 -0.033 0.000 1.226 521 D CA -0.437 53.545 54.000 -0.030 0.000 0.746 521 D CB -0.085 40.683 40.800 -0.053 0.000 1.278 521 D HN 0.133 nan 8.370 nan 0.000 0.544 522 I N 0.798 121.358 120.570 -0.017 0.000 2.683 522 I HA 0.068 4.224 4.170 -0.023 0.000 0.286 522 I C 0.973 177.088 176.117 -0.004 0.000 1.175 522 I CA -0.322 60.970 61.300 -0.012 0.000 1.429 522 I CB 0.239 38.237 38.000 -0.003 0.000 1.371 522 I HN 0.162 nan 8.210 nan 0.000 0.569 523 N N 5.689 124.386 118.700 -0.006 0.000 2.520 523 N HA 0.060 4.786 4.740 -0.023 0.000 0.273 523 N C -0.464 175.071 175.510 0.042 0.000 1.155 523 N CA -0.313 52.747 53.050 0.017 0.000 0.967 523 N CB 0.675 39.163 38.487 0.002 0.000 1.092 523 N HN 0.613 nan 8.380 nan 0.000 0.457 524 D N 1.822 122.265 120.400 0.072 0.000 2.908 524 D HA 0.008 4.635 4.640 -0.023 0.000 0.361 524 D C -0.745 175.605 176.300 0.083 0.000 1.416 524 D CA -0.499 53.537 54.000 0.060 0.000 0.796 524 D CB -1.221 39.599 40.800 0.032 0.000 1.185 524 D HN 0.411 nan 8.370 nan 0.000 0.451 525 Y N 1.563 121.863 120.300 -0.000 0.000 2.526 525 Y HA 0.260 4.788 4.550 -0.037 0.000 0.330 525 Y C 0.498 176.390 175.900 -0.013 0.000 1.156 525 Y CA 0.792 58.889 58.100 -0.005 0.000 1.419 525 Y CB 0.835 39.293 38.460 -0.004 0.000 1.250 525 Y HN 0.016 nan 8.280 nan 0.000 0.540 526 Q N 5.166 124.555 119.800 -0.684 0.000 2.074 526 Q HA 0.293 4.619 4.340 -0.023 0.000 0.265 526 Q C 0.016 175.615 176.000 -0.667 0.000 0.855 526 Q CA 0.374 55.861 55.803 -0.526 0.000 1.083 526 Q CB 0.818 29.415 28.738 -0.236 0.000 1.260 526 Q HN 1.062 nan 8.270 nan 0.000 0.427 527 G N 2.419 110.452 108.800 -1.279 0.000 2.661 527 G HA2 -0.151 3.795 3.960 -0.023 0.000 0.685 527 G HA3 -0.151 3.795 3.960 -0.023 0.000 0.685 527 G C -2.831 171.835 174.900 -0.390 0.000 1.298 527 G CA -1.111 43.594 45.100 -0.658 0.000 0.855 527 G HN 0.022 nan 8.290 nan 0.000 0.560 528 P HA 0.289 nan 4.420 nan 0.000 0.264 528 P C 1.157 178.405 177.300 -0.088 0.000 1.179 528 P CA 2.114 65.178 63.100 -0.059 0.000 0.763 528 P CB 0.419 32.099 31.700 -0.034 0.000 0.806 529 G N 0.869 109.633 108.800 -0.061 0.000 2.175 529 G HA2 -0.166 3.780 3.960 -0.023 0.000 0.244 529 G HA3 -0.166 3.780 3.960 -0.023 0.000 0.244 529 G C 0.192 175.053 174.900 -0.065 0.000 0.982 529 G CA 0.391 45.455 45.100 -0.061 0.000 0.641 529 G HN 0.970 nan 8.290 nan 0.000 0.527 530 T N -3.181 111.329 114.554 -0.075 0.000 2.696 530 T HA 0.892 5.228 4.350 -0.023 0.000 0.291 530 T C 1.153 175.877 174.700 0.040 0.000 1.095 530 T CA 0.733 62.797 62.100 -0.061 0.000 1.026 530 T CB 1.676 70.454 68.868 -0.151 0.000 1.390 530 T HN 2.236 nan 8.240 nan 0.000 0.513 531 G N 0.292 109.143 108.800 0.085 0.000 2.692 531 G HA2 -0.134 3.812 3.960 -0.023 0.000 0.248 531 G HA3 -0.134 3.812 3.960 -0.023 0.000 0.248 531 G C -0.579 174.429 174.900 0.179 0.000 1.340 531 G CA 0.015 45.242 45.100 0.210 0.000 0.896 531 G HN 1.493 nan 8.290 nan 0.000 0.570 532 Y N 2.380 122.715 120.300 0.059 0.000 2.511 532 Y HA 0.547 5.082 4.550 -0.026 0.000 0.332 532 Y C 0.895 176.788 175.900 -0.012 0.000 1.177 532 Y CA 0.021 58.122 58.100 0.001 0.000 1.422 532 Y CB 0.551 38.992 38.460 -0.031 0.000 1.271 532 Y HN 0.582 nan 8.280 nan 0.000 0.550 533 R N 7.313 127.318 120.500 -0.824 0.000 2.508 533 R HA 0.282 4.608 4.340 -0.023 0.000 0.283 533 R C -1.040 174.726 176.300 -0.890 0.000 1.120 533 R CA -0.898 54.783 56.100 -0.697 0.000 0.958 533 R CB 0.934 31.041 30.300 -0.322 0.000 1.215 533 R HN 0.810 nan 8.270 nan 0.000 0.427 534 I N 1.903 121.963 120.570 -0.851 0.000 2.996 534 I HA -0.174 3.982 4.170 -0.023 0.000 0.311 534 I C 1.365 177.349 176.117 -0.222 0.000 1.219 534 I CA 0.729 61.758 61.300 -0.452 0.000 1.452 534 I CB -0.020 37.847 38.000 -0.222 0.000 1.319 534 I HN 0.589 nan 8.210 nan 0.000 0.564 535 S N 4.639 120.308 115.700 -0.052 0.000 2.617 535 S HA 0.496 4.953 4.470 -0.023 0.000 0.269 535 S C 1.166 175.806 174.600 0.067 0.000 1.292 535 S CA -0.369 57.834 58.200 0.004 0.000 1.010 535 S CB 1.722 64.949 63.200 0.045 0.000 0.944 535 S HN 0.773 nan 8.310 nan 0.000 0.536 536 A N 1.607 124.467 122.820 0.067 0.000 1.903 536 A HA -0.168 4.139 4.320 -0.023 0.000 0.219 536 A C 1.987 179.639 177.584 0.114 0.000 1.191 536 A CA 2.182 54.289 52.037 0.118 0.000 0.638 536 A CB -1.351 17.693 19.000 0.074 0.000 0.823 536 A HN 0.923 nan 8.150 nan 0.000 0.451 537 E N -0.845 119.396 120.200 0.069 0.000 2.058 537 E HA -0.192 4.144 4.350 -0.023 0.000 0.194 537 E C 2.185 178.819 176.600 0.057 0.000 0.997 537 E CA 1.621 58.048 56.400 0.045 0.000 0.801 537 E CB -0.246 29.471 29.700 0.029 0.000 0.746 537 E HN 0.569 nan 8.360 nan 0.000 0.450 538 R N 0.091 120.644 120.500 0.089 0.000 2.115 538 R HA -0.082 4.244 4.340 -0.023 0.000 0.230 538 R C 1.950 178.356 176.300 0.176 0.000 1.111 538 R CA 1.414 57.577 56.100 0.105 0.000 0.976 538 R CB -0.682 29.691 30.300 0.120 0.000 0.870 538 R HN 0.495 nan 8.270 nan 0.000 0.445 539 W N 0.217 121.498 121.300 -0.033 0.000 2.388 539 W HA -0.120 4.529 4.660 -0.018 0.000 0.294 539 W C 1.494 177.992 176.519 -0.034 0.000 1.212 539 W CA 0.968 58.289 57.345 -0.040 0.000 1.271 539 W CB -0.040 29.391 29.460 -0.048 0.000 1.126 539 W HN 0.269 nan 8.180 nan 0.000 0.535 540 A N 0.681 123.453 122.820 -0.080 0.000 1.898 540 A HA -0.284 4.022 4.320 -0.023 0.000 0.216 540 A C 1.858 179.328 177.584 -0.190 0.000 1.181 540 A CA 1.939 53.845 52.037 -0.218 0.000 0.620 540 A CB -1.117 17.822 19.000 -0.102 0.000 0.819 540 A HN 0.517 nan 8.150 nan 0.000 0.442 541 E N -0.087 120.057 120.200 -0.093 0.000 2.077 541 E HA -0.178 4.159 4.350 -0.023 0.000 0.193 541 E C 1.853 178.396 176.600 -0.096 0.000 0.989 541 E CA 1.352 57.706 56.400 -0.078 0.000 0.800 541 E CB -0.263 29.415 29.700 -0.038 0.000 0.746 541 E HN 0.648 nan 8.360 nan 0.000 0.452 542 I N 1.579 122.105 120.570 -0.073 0.000 2.179 542 I HA -0.301 3.855 4.170 -0.023 0.000 0.242 542 I C 2.478 178.487 176.117 -0.179 0.000 1.088 542 I CA 1.820 63.084 61.300 -0.060 0.000 1.357 542 I CB -0.312 37.756 38.000 0.113 0.000 1.051 542 I HN 0.171 nan 8.210 nan 0.000 0.409 543 K N 0.507 120.665 120.400 -0.404 0.000 2.418 543 K HA 0.013 4.319 4.320 -0.023 0.000 0.195 543 K C 0.268 176.703 176.600 -0.276 0.000 1.035 543 K CA 0.621 56.642 56.287 -0.444 0.000 1.003 543 K CB -0.491 31.514 32.500 -0.824 0.000 0.793 543 K HN 0.342 nan 8.250 nan 0.000 0.494 544 N N 1.924 120.491 118.700 -0.221 0.000 3.188 544 N HA 0.220 4.946 4.740 -0.023 0.000 0.279 544 N C -1.052 174.396 175.510 -0.103 0.000 1.213 544 N CA -0.344 52.617 53.050 -0.150 0.000 1.138 544 N CB 0.370 38.776 38.487 -0.135 0.000 1.417 544 N HN 0.133 nan 8.380 nan 0.000 0.526 545 I N 1.469 121.985 120.570 -0.090 0.000 2.428 545 I HA 0.228 4.384 4.170 -0.023 0.000 0.289 545 I C -1.916 174.175 176.117 -0.043 0.000 1.019 545 I CA -2.105 59.161 61.300 -0.057 0.000 1.351 545 I CB 0.875 38.850 38.000 -0.041 0.000 1.412 545 I HN 0.031 nan 8.210 nan 0.000 0.513 546 P HA 0.053 nan 4.420 nan 0.000 0.264 546 P C 0.747 178.038 177.300 -0.016 0.000 1.183 546 P CA 0.796 63.882 63.100 -0.024 0.000 0.763 546 P CB 0.635 32.324 31.700 -0.018 0.000 0.807 547 G N 1.336 110.126 108.800 -0.016 0.000 2.279 547 G HA2 -0.235 3.712 3.960 -0.023 0.000 0.223 547 G HA3 -0.235 3.712 3.960 -0.023 0.000 0.223 547 G C 0.114 175.005 174.900 -0.015 0.000 1.015 547 G CA -0.168 44.926 45.100 -0.011 0.000 0.621 547 G HN 0.532 nan 8.290 nan 0.000 0.506 548 V N 2.738 122.638 119.914 -0.023 0.000 2.475 548 V HA 0.303 4.409 4.120 -0.023 0.000 0.292 548 V C 1.272 177.350 176.094 -0.027 0.000 1.003 548 V CA 0.209 62.492 62.300 -0.028 0.000 1.120 548 V CB 1.071 32.867 31.823 -0.044 0.000 0.937 548 V HN 0.458 nan 8.190 nan 0.000 0.476 549 V N 4.855 124.757 119.914 -0.020 0.000 2.614 549 V HA 0.165 4.271 4.120 -0.023 0.000 0.291 549 V C 0.312 176.393 176.094 -0.021 0.000 1.049 549 V CA -0.532 61.757 62.300 -0.018 0.000 1.038 549 V CB 1.228 33.044 31.823 -0.012 0.000 0.980 549 V HN 0.876 nan 8.190 nan 0.000 0.481 550 Q N 6.562 126.349 119.800 -0.021 0.000 2.293 550 Q HA 0.250 4.576 4.340 -0.023 0.000 0.263 550 Q C -1.734 174.256 176.000 -0.016 0.000 1.002 550 Q CA -1.569 54.221 55.803 -0.022 0.000 0.910 550 Q CB 1.285 30.010 28.738 -0.022 0.000 1.185 550 Q HN 0.427 nan 8.270 nan 0.000 0.401 551 P HA -0.266 nan 4.420 nan 0.000 0.214 551 P C 0.427 177.722 177.300 -0.009 0.000 1.164 551 P CA 2.000 65.094 63.100 -0.011 0.000 0.942 551 P CB 0.064 31.758 31.700 -0.010 0.000 0.791 552 D N -1.774 118.621 120.400 -0.009 0.000 2.309 552 D HA -0.093 4.533 4.640 -0.023 0.000 0.212 552 D C 0.323 176.619 176.300 -0.007 0.000 0.968 552 D CA 1.081 55.076 54.000 -0.007 0.000 0.882 552 D CB -1.295 39.500 40.800 -0.007 0.000 0.918 552 D HN 0.173 nan 8.370 nan 0.000 0.503 553 T N 1.367 115.916 114.554 -0.008 0.000 3.607 553 T HA 0.353 4.689 4.350 -0.023 0.000 0.225 553 T C 0.364 175.060 174.700 -0.007 0.000 0.904 553 T CA -0.146 61.950 62.100 -0.008 0.000 0.962 553 T CB -0.455 68.408 68.868 -0.010 0.000 1.221 553 T HN 0.190 nan 8.240 nan 0.000 0.641 554 I N 2.185 122.752 120.570 -0.006 0.000 2.571 554 I HA 0.408 4.564 4.170 -0.023 0.000 0.289 554 I C -0.399 175.716 176.117 -0.003 0.000 1.115 554 I CA -0.796 60.501 61.300 -0.004 0.000 1.045 554 I CB 2.293 40.290 38.000 -0.004 0.000 1.238 554 I HN 0.363 nan 8.210 nan 0.000 0.424 555 E N 0.000 120.198 120.200 -0.003 0.000 2.725 555 E HA 0.000 4.336 4.350 -0.023 0.000 0.291 555 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 555 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 555 E HN 0.000 nan 8.360 nan 0.000 0.440