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 1trk_1_B DATA FIRST_RESID 3 DATA SEQUENCE QFTDIDKLAV STIRILAVDT VSKANSGHPG APLGMAPAAH VLWSQMRMNP DATA SEQUENCE TNPDWINRDR FVLSNGHAVA LLYSMLHLTG YDLSIEDLKQ FRQLGSRTPG DATA SEQUENCE HPEFELPGVE VTTGPLGQGI SNAVGMAMAQ ANLAATYNKP GFTLSDNYTY DATA SEQUENCE VFLGDGCLQE GISSEASSLA GHLKLGNLIA IYDDNKITID GATSISFDED DATA SEQUENCE VAKRYEAYGW EVLYVENGNE DLAGIAKAIA QAKLSKDKPT LIKMTTTIGY DATA SEQUENCE GSLHAGSHSV HGAPLKADDV KQLKSKFGFN PDKSFVVPQE VYDHYQKTIL DATA SEQUENCE KPGVEANNKW NKLFSEYQKK FPELGAELAR RLSGQLPANW ESKLPTYTAK DATA SEQUENCE DSAVATRKLS ETVLEDVYNQ LPELIGGSAD LTPSNLTRWK EALDFQPPSS DATA SEQUENCE GSGNYSGRYI RYGIREHAMG AIMNGISAFG ANYKPYGGTF LNFVSYAAGA DATA SEQUENCE VRLSALSGHP VIWVATHDSI GVGEDGPTHQ PIETLAHFRS LPNIQVWRPA DATA SEQUENCE DGNEVSAAYK NSLESKHTPS IIALSRQNLP QLEGSSIESA SKGGYVLQDV DATA SEQUENCE ANPDIILVAT GSEVSLSVEA AKTLAAKNIK ARVVSLPDFF TFDKQPLEYR DATA SEQUENCE LSVLPDNVPI MSVEVLATTC WGKYAHQSFG IDRFGASGKA PEVFKFFGFT DATA SEQUENCE PEGVAERAQK TIAFYKGDKL ISPLKKAF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.648 176.000 -0.587 0.000 1.003 3 Q CA 0.000 55.614 55.803 -0.315 0.000 1.022 3 Q CB 0.000 28.644 28.738 -0.157 0.000 1.108 4 F N 0.748 120.720 119.950 0.038 0.000 2.546 4 F HA 0.765 5.293 4.527 0.000 0.000 0.320 4 F C 1.021 176.827 175.800 0.009 0.000 1.076 4 F CA -0.598 57.427 58.000 0.042 0.000 0.928 4 F CB 2.167 41.199 39.000 0.053 0.000 1.189 4 F HN 0.447 nan 8.300 nan 0.000 0.465 5 T N -3.151 111.506 114.554 0.173 0.000 2.807 5 T HA 0.287 4.637 4.350 0.000 0.000 0.277 5 T C 0.609 175.313 174.700 0.006 0.000 1.006 5 T CA -0.698 61.436 62.100 0.057 0.000 1.006 5 T CB 1.391 70.266 68.868 0.012 0.000 1.274 5 T HN 0.478 nan 8.240 nan 0.000 0.569 6 D N -0.143 120.242 120.400 -0.025 0.000 2.149 6 D HA -0.122 4.518 4.640 0.000 0.000 0.194 6 D C 1.817 178.051 176.300 -0.111 0.000 1.001 6 D CA 1.228 55.195 54.000 -0.055 0.000 0.849 6 D CB -0.145 40.628 40.800 -0.045 0.000 0.939 6 D HN 0.464 nan 8.370 nan 0.000 0.449 7 I N 1.608 122.082 120.570 -0.160 0.000 2.264 7 I HA -0.228 3.942 4.170 0.000 0.000 0.248 7 I C 1.530 177.421 176.117 -0.376 0.000 1.111 7 I CA 1.504 62.632 61.300 -0.287 0.000 1.382 7 I CB -0.175 37.585 38.000 -0.401 0.000 1.060 7 I HN -0.092 nan 8.210 nan 0.000 0.418 8 D N 0.388 120.622 120.400 -0.277 0.000 2.144 8 D HA -0.189 4.451 4.640 0.000 0.000 0.199 8 D C 2.025 178.103 176.300 -0.370 0.000 0.984 8 D CA 1.190 55.029 54.000 -0.268 0.000 0.834 8 D CB -0.043 40.851 40.800 0.157 0.000 0.955 8 D HN 0.478 nan 8.370 nan 0.000 0.465 9 K N 0.286 120.552 120.400 -0.223 0.000 2.116 9 K HA -0.057 4.263 4.320 0.000 0.000 0.203 9 K C 2.120 178.597 176.600 -0.205 0.000 1.052 9 K CA 0.105 56.265 56.287 -0.212 0.000 0.952 9 K CB -0.024 32.397 32.500 -0.132 0.000 0.729 9 K HN -0.010 nan 8.250 nan 0.000 0.446 10 L N 1.453 122.576 121.223 -0.166 0.000 2.046 10 L HA -0.136 4.204 4.340 0.000 0.000 0.208 10 L C 2.221 179.008 176.870 -0.138 0.000 1.077 10 L CA 1.700 56.484 54.840 -0.094 0.000 0.747 10 L CB -0.604 41.404 42.059 -0.085 0.000 0.896 10 L HN 0.123 nan 8.230 nan 0.000 0.432 11 A N -1.300 121.356 122.820 -0.275 0.000 1.902 11 A HA -0.145 4.175 4.320 0.000 0.000 0.217 11 A C 2.268 179.702 177.584 -0.249 0.000 1.181 11 A CA 1.908 53.778 52.037 -0.279 0.000 0.623 11 A CB -1.065 17.663 19.000 -0.453 0.000 0.818 11 A HN 0.300 nan 8.150 nan 0.000 0.443 12 V N -0.078 119.623 119.914 -0.355 0.000 2.295 12 V HA -0.233 3.887 4.120 0.000 0.000 0.246 12 V C 2.805 178.723 176.094 -0.294 0.000 1.049 12 V CA 2.398 64.527 62.300 -0.285 0.000 1.024 12 V CB -0.808 30.825 31.823 -0.316 0.000 0.648 12 V HN 0.571 nan 8.190 nan 0.000 0.447 13 S N -0.302 115.195 115.700 -0.339 0.000 2.368 13 S HA -0.192 4.278 4.470 0.000 0.000 0.224 13 S C 2.071 176.424 174.600 -0.413 0.000 1.029 13 S CA 1.877 59.808 58.200 -0.450 0.000 0.988 13 S CB -0.452 62.527 63.200 -0.369 0.000 0.838 13 S HN 0.700 nan 8.310 nan 0.000 0.462 14 T N 2.782 117.202 114.554 -0.224 0.000 2.746 14 T HA -0.005 4.345 4.350 0.000 0.000 0.267 14 T C 1.732 176.350 174.700 -0.135 0.000 1.039 14 T CA 1.110 63.133 62.100 -0.127 0.000 1.142 14 T CB -0.455 68.443 68.868 0.049 0.000 0.866 14 T HN 0.317 nan 8.240 nan 0.000 0.444 15 I N 0.651 121.151 120.570 -0.117 0.000 2.163 15 I HA -0.206 3.964 4.170 0.000 0.000 0.243 15 I C 2.864 178.903 176.117 -0.131 0.000 1.085 15 I CA 1.438 62.675 61.300 -0.105 0.000 1.347 15 I CB -0.344 37.599 38.000 -0.094 0.000 1.044 15 I HN 0.121 nan 8.210 nan 0.000 0.408 16 R N 0.567 120.976 120.500 -0.152 0.000 2.073 16 R HA -0.129 4.211 4.340 0.000 0.000 0.234 16 R C 2.309 178.545 176.300 -0.107 0.000 1.134 16 R CA 1.525 57.563 56.100 -0.103 0.000 0.952 16 R CB -0.317 29.938 30.300 -0.074 0.000 0.850 16 R HN 0.356 nan 8.270 nan 0.000 0.433 17 I N 0.172 120.631 120.570 -0.185 0.000 2.406 17 I HA -0.210 3.960 4.170 0.000 0.000 0.249 17 I C 2.116 178.094 176.117 -0.232 0.000 1.122 17 I CA 0.405 61.574 61.300 -0.218 0.000 1.431 17 I CB -0.098 37.677 38.000 -0.375 0.000 1.087 17 I HN 0.109 nan 8.210 nan 0.000 0.424 18 L N 1.203 122.305 121.223 -0.202 0.000 2.042 18 L HA -0.186 4.154 4.340 0.000 0.000 0.210 18 L C 2.565 179.303 176.870 -0.219 0.000 1.076 18 L CA 2.148 56.864 54.840 -0.207 0.000 0.749 18 L CB -0.787 41.223 42.059 -0.082 0.000 0.893 18 L HN 0.217 nan 8.230 nan 0.000 0.432 19 A N -1.621 121.102 122.820 -0.162 0.000 1.898 19 A HA -0.127 4.193 4.320 0.000 0.000 0.216 19 A C 2.292 179.787 177.584 -0.148 0.000 1.181 19 A CA 1.825 53.772 52.037 -0.151 0.000 0.620 19 A CB -0.969 17.962 19.000 -0.113 0.000 0.819 19 A HN 0.265 nan 8.150 nan 0.000 0.442 20 V N 0.557 120.389 119.914 -0.136 0.000 2.307 20 V HA -0.224 3.896 4.120 0.000 0.000 0.245 20 V C 2.192 178.193 176.094 -0.155 0.000 1.045 20 V CA 2.306 64.540 62.300 -0.111 0.000 1.024 20 V CB -0.741 31.027 31.823 -0.092 0.000 0.651 20 V HN 0.494 nan 8.190 nan 0.000 0.449 21 D N -0.187 120.034 120.400 -0.298 0.000 2.117 21 D HA -0.137 4.503 4.640 0.000 0.000 0.197 21 D C 2.282 178.371 176.300 -0.351 0.000 0.987 21 D CA 1.831 55.542 54.000 -0.482 0.000 0.829 21 D CB -0.406 39.775 40.800 -1.032 0.000 0.961 21 D HN 0.391 nan 8.370 nan 0.000 0.460 22 T N 0.583 114.984 114.554 -0.256 0.000 2.684 22 T HA -0.120 4.230 4.350 0.000 0.000 0.267 22 T C 2.235 177.034 174.700 0.166 0.000 1.036 22 T CA 0.987 63.145 62.100 0.096 0.000 1.148 22 T CB -0.366 68.436 68.868 -0.111 0.000 0.863 22 T HN -0.016 nan 8.240 nan 0.000 0.436 23 V N 1.082 121.037 119.914 0.070 0.000 2.307 23 V HA -0.136 3.984 4.120 0.000 0.000 0.245 23 V C 2.730 178.931 176.094 0.178 0.000 1.045 23 V CA 1.712 64.140 62.300 0.213 0.000 1.024 23 V CB -0.734 31.162 31.823 0.121 0.000 0.651 23 V HN 0.416 nan 8.190 nan 0.000 0.449 24 S N -0.239 115.517 115.700 0.092 0.000 2.368 24 S HA -0.249 4.222 4.470 0.000 0.000 0.225 24 S C 2.029 176.705 174.600 0.125 0.000 1.030 24 S CA 2.003 60.250 58.200 0.079 0.000 0.999 24 S CB -0.312 62.905 63.200 0.029 0.000 0.844 24 S HN 0.578 nan 8.310 nan 0.000 0.459 25 K N 2.219 122.737 120.400 0.197 0.000 2.097 25 K HA 0.050 4.370 4.320 0.000 0.000 0.206 25 K C 1.831 178.532 176.600 0.169 0.000 1.049 25 K CA 1.492 57.907 56.287 0.214 0.000 0.933 25 K CB -0.620 32.091 32.500 0.351 0.000 0.717 25 K HN 0.228 nan 8.250 nan 0.000 0.442 26 A N 0.693 123.642 122.820 0.215 0.000 2.067 26 A HA -0.118 4.202 4.320 0.000 0.000 0.219 26 A C 0.958 178.591 177.584 0.081 0.000 1.158 26 A CA 1.166 53.294 52.037 0.152 0.000 0.661 26 A CB -0.707 18.415 19.000 0.205 0.000 0.801 26 A HN 0.729 nan 8.150 nan 0.000 0.452 27 N N -1.139 117.615 118.700 0.091 0.000 2.693 27 N HA -0.190 4.550 4.740 0.000 0.000 0.249 27 N C -0.275 175.247 175.510 0.021 0.000 1.119 27 N CA 0.734 53.814 53.050 0.050 0.000 0.717 27 N CB -0.824 37.684 38.487 0.035 0.000 1.071 27 N HN 0.498 nan 8.380 nan 0.000 0.555 28 S N -1.202 114.515 115.700 0.029 0.000 2.536 28 S HA 0.762 5.232 4.470 0.000 0.000 0.271 28 S C -0.229 174.382 174.600 0.017 0.000 1.134 28 S CA 0.434 58.621 58.200 -0.022 0.000 0.897 28 S CB 2.004 65.162 63.200 -0.070 0.000 1.094 28 S HN 0.855 nan 8.310 nan 0.000 0.473 29 G N 2.749 111.507 108.800 -0.069 0.000 2.343 29 G HA2 0.203 4.163 3.960 0.000 0.000 0.465 29 G HA3 0.203 4.163 3.960 0.000 0.000 0.465 29 G C -2.140 172.648 174.900 -0.187 0.000 1.282 29 G CA -0.880 44.228 45.100 0.014 0.000 0.996 29 G HN 0.931 nan 8.290 nan 0.000 0.521 30 H N 1.057 120.191 119.070 0.107 0.000 2.718 30 H HA 0.527 5.083 4.556 0.000 0.000 0.295 30 H C -1.613 173.722 175.328 0.012 0.000 1.051 30 H CA -1.432 54.622 56.048 0.011 0.000 1.260 30 H CB 2.051 31.809 29.762 -0.007 0.000 1.403 30 H HN 0.359 nan 8.280 nan 0.000 0.488 31 P HA 0.016 nan 4.420 nan 0.000 0.234 31 P C 1.524 178.856 177.300 0.055 0.000 1.175 31 P CA 0.635 63.765 63.100 0.050 0.000 0.801 31 P CB 0.528 32.245 31.700 0.029 0.000 0.891 32 G N 1.244 110.084 108.800 0.066 0.000 2.433 32 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 32 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 32 G C 1.780 176.734 174.900 0.090 0.000 1.186 32 G CA 1.133 46.283 45.100 0.083 0.000 0.779 32 G HN 0.334 nan 8.290 nan 0.000 0.543 33 A N 1.278 124.158 122.820 0.101 0.000 1.968 33 A HA 0.206 4.526 4.320 0.000 0.000 0.217 33 A C 0.685 178.296 177.584 0.045 0.000 1.169 33 A CA 1.568 53.656 52.037 0.084 0.000 0.638 33 A CB -0.953 18.115 19.000 0.113 0.000 0.812 33 A HN 0.356 nan 8.150 nan 0.000 0.446 34 P HA -0.204 nan 4.420 nan 0.000 0.215 34 P C 1.482 178.789 177.300 0.012 0.000 1.163 34 P CA 1.100 64.204 63.100 0.007 0.000 0.894 34 P CB -0.141 31.548 31.700 -0.019 0.000 0.791 35 L N -1.547 119.698 121.223 0.037 0.000 2.046 35 L HA -0.106 4.234 4.340 0.000 0.000 0.208 35 L C 2.616 179.525 176.870 0.064 0.000 1.077 35 L CA 1.878 56.760 54.840 0.069 0.000 0.747 35 L CB -1.489 40.640 42.059 0.116 0.000 0.896 35 L HN 0.104 nan 8.230 nan 0.000 0.432 36 G N -0.690 108.141 108.800 0.052 0.000 2.421 36 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 36 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 36 G C 1.499 176.352 174.900 -0.080 0.000 1.143 36 G CA 0.293 45.391 45.100 -0.003 0.000 0.784 36 G HN 0.247 nan 8.290 nan 0.000 0.541 37 M N 0.768 120.334 119.600 -0.056 0.000 2.428 37 M HA 0.299 4.779 4.480 0.000 0.000 0.239 37 M C 2.629 178.923 176.300 -0.010 0.000 1.121 37 M CA 0.205 55.458 55.300 -0.079 0.000 1.019 37 M CB 0.498 33.055 32.600 -0.071 0.000 1.485 37 M HN 0.274 nan 8.290 nan 0.000 0.484 38 A N 1.754 124.551 122.820 -0.039 0.000 1.908 38 A HA -0.075 4.245 4.320 0.000 0.000 0.218 38 A C -0.437 177.117 177.584 -0.049 0.000 1.181 38 A CA 1.466 53.474 52.037 -0.048 0.000 0.627 38 A CB -1.688 17.254 19.000 -0.095 0.000 0.818 38 A HN 0.280 nan 8.150 nan 0.000 0.445 39 P HA -0.159 nan 4.420 nan 0.000 0.215 39 P C 1.804 179.078 177.300 -0.044 0.000 1.157 39 P CA 2.083 65.113 63.100 -0.117 0.000 0.868 39 P CB -0.132 31.447 31.700 -0.202 0.000 0.788 40 A N -0.225 122.581 122.820 -0.023 0.000 1.933 40 A HA -0.125 4.195 4.320 0.000 0.000 0.218 40 A C 2.309 180.047 177.584 0.256 0.000 1.175 40 A CA 2.103 54.183 52.037 0.071 0.000 0.628 40 A CB -1.624 17.364 19.000 -0.020 0.000 0.814 40 A HN 0.190 nan 8.150 nan 0.000 0.444 41 A N -0.902 122.093 122.820 0.292 0.000 1.902 41 A HA -0.178 4.142 4.320 0.000 0.000 0.217 41 A C 2.032 179.610 177.584 -0.010 0.000 1.181 41 A CA 2.142 54.258 52.037 0.132 0.000 0.623 41 A CB -0.899 18.065 19.000 -0.061 0.000 0.818 41 A HN 0.743 nan 8.150 nan 0.000 0.443 42 H N -0.218 118.831 119.070 -0.034 0.000 2.290 42 H HA -0.099 4.457 4.556 0.000 0.000 0.298 42 H C 1.872 177.261 175.328 0.101 0.000 1.087 42 H CA 2.201 58.272 56.048 0.038 0.000 1.291 42 H CB -0.291 29.475 29.762 0.006 0.000 1.369 42 H HN 0.123 nan 8.280 nan 0.000 0.492 43 V N 0.260 120.119 119.914 -0.091 0.000 2.307 43 V HA -0.196 3.925 4.120 0.000 0.000 0.245 43 V C 2.607 178.700 176.094 -0.002 0.000 1.045 43 V CA 1.585 63.851 62.300 -0.056 0.000 1.024 43 V CB -0.768 31.017 31.823 -0.063 0.000 0.651 43 V HN 0.356 nan 8.190 nan 0.000 0.449 44 L N -0.776 120.455 121.223 0.013 0.000 1.994 44 L HA -0.132 4.208 4.340 0.000 0.000 0.208 44 L C 2.108 178.910 176.870 -0.114 0.000 1.071 44 L CA 2.172 56.959 54.840 -0.088 0.000 0.745 44 L CB -0.718 41.310 42.059 -0.050 0.000 0.892 44 L HN 0.379 nan 8.230 nan 0.000 0.431 45 W N -0.236 120.876 121.300 -0.313 0.000 2.374 45 W HA -0.090 4.571 4.660 0.000 0.000 0.288 45 W C 2.859 179.268 176.519 -0.183 0.000 1.218 45 W CA 1.403 58.570 57.345 -0.297 0.000 1.245 45 W CB -1.116 28.128 29.460 -0.360 0.000 1.126 45 W HN 0.103 nan 8.180 nan 0.000 0.545 46 S N 0.024 115.753 115.700 0.048 0.000 2.419 46 S HA -0.235 4.236 4.470 0.000 0.000 0.235 46 S C 1.565 176.185 174.600 0.033 0.000 1.019 46 S CA 1.838 60.065 58.200 0.045 0.000 0.982 46 S CB -0.378 62.828 63.200 0.010 0.000 0.789 46 S HN 0.518 nan 8.310 nan 0.000 0.490 47 Q N -0.097 119.703 119.800 0.001 0.000 2.247 47 Q HA 0.364 4.704 4.340 0.000 0.000 0.204 47 Q C 0.252 176.247 176.000 -0.008 0.000 0.872 47 Q CA 0.026 55.829 55.803 0.000 0.000 0.951 47 Q CB -0.315 28.423 28.738 0.001 0.000 1.099 47 Q HN 0.355 nan 8.270 nan 0.000 0.501 48 M N 1.516 121.085 119.600 -0.053 0.000 2.233 48 M HA 0.225 4.706 4.480 0.000 0.000 0.350 48 M C 0.000 176.322 176.300 0.037 0.000 1.176 48 M CA -0.252 55.033 55.300 -0.025 0.000 1.150 48 M CB 1.013 33.510 32.600 -0.172 0.000 1.530 48 M HN 0.164 nan 8.290 nan 0.000 0.459 49 R N 5.360 125.915 120.500 0.092 0.000 2.196 49 R HA 0.543 4.883 4.340 0.000 0.000 0.340 49 R C -1.305 175.093 176.300 0.164 0.000 1.043 49 R CA -0.011 56.178 56.100 0.147 0.000 0.883 49 R CB 0.371 30.771 30.300 0.167 0.000 1.078 49 R HN 0.808 nan 8.270 nan 0.000 0.462 50 M N 1.535 121.270 119.600 0.226 0.000 2.534 50 M HA 0.305 4.785 4.480 0.000 0.000 0.280 50 M C -1.750 174.674 176.300 0.207 0.000 1.217 50 M CA -0.856 54.585 55.300 0.236 0.000 0.893 50 M CB 2.143 34.788 32.600 0.076 0.000 1.730 50 M HN 0.398 nan 8.290 nan 0.000 0.483 51 N N 1.953 120.779 118.700 0.211 0.000 2.558 51 N HA 0.422 5.162 4.740 0.000 0.000 0.242 51 N C -2.345 173.083 175.510 -0.136 0.000 0.979 51 N CA -1.829 51.218 53.050 -0.005 0.000 0.931 51 N CB 1.763 40.198 38.487 -0.088 0.000 1.122 51 N HN 0.377 nan 8.380 nan 0.000 0.508 52 P HA -0.109 nan 4.420 nan 0.000 0.216 52 P C 1.053 178.040 177.300 -0.522 0.000 1.150 52 P CA 1.230 63.794 63.100 -0.894 0.000 0.837 52 P CB 0.286 31.478 31.700 -0.846 0.000 0.786 53 T N -1.693 112.698 114.554 -0.272 0.000 2.881 53 T HA -0.136 4.214 4.350 0.000 0.000 0.270 53 T C 0.860 175.504 174.700 -0.093 0.000 1.068 53 T CA 1.062 63.074 62.100 -0.146 0.000 1.131 53 T CB -0.771 68.022 68.868 -0.125 0.000 0.871 53 T HN 0.212 nan 8.240 nan 0.000 0.479 54 N N 0.301 118.952 118.700 -0.082 0.000 2.750 54 N HA 0.185 4.925 4.740 0.000 0.000 0.253 54 N C -2.726 172.809 175.510 0.041 0.000 1.408 54 N CA -1.466 51.571 53.050 -0.023 0.000 0.780 54 N CB 1.510 39.968 38.487 -0.048 0.000 1.191 54 N HN -0.043 nan 8.380 nan 0.000 0.511 55 P HA -0.004 nan 4.420 nan 0.000 0.231 55 P C -0.031 177.313 177.300 0.073 0.000 1.158 55 P CA 0.837 64.023 63.100 0.142 0.000 0.763 55 P CB 0.290 32.110 31.700 0.201 0.000 0.805 56 D N -3.101 117.324 120.400 0.041 0.000 2.349 56 D HA -0.011 4.630 4.640 0.000 0.000 0.214 56 D C 0.217 176.500 176.300 -0.029 0.000 1.063 56 D CA -0.200 53.794 54.000 -0.011 0.000 0.847 56 D CB -0.342 40.450 40.800 -0.014 0.000 0.933 56 D HN 0.145 nan 8.370 nan 0.000 0.513 57 W N 2.251 123.423 121.300 -0.212 0.000 2.534 57 W HA -0.110 4.550 4.660 0.000 0.000 0.340 57 W C 1.271 177.515 176.519 -0.459 0.000 1.352 57 W CA -0.926 56.212 57.345 -0.344 0.000 1.305 57 W CB 0.062 29.343 29.460 -0.298 0.000 1.299 57 W HN -0.098 nan 8.180 nan 0.000 0.572 58 I N 5.153 125.373 120.570 -0.584 0.000 2.423 58 I HA -0.273 3.897 4.170 0.000 0.000 0.254 58 I C 1.690 177.242 176.117 -0.941 0.000 1.151 58 I CA 1.778 62.636 61.300 -0.736 0.000 1.421 58 I CB -0.449 37.205 38.000 -0.577 0.000 1.079 58 I HN 0.579 nan 8.210 nan 0.000 0.431 59 N N 0.589 118.395 118.700 -1.491 0.000 2.273 59 N HA 0.074 4.814 4.740 0.000 0.000 0.231 59 N C -0.107 174.448 175.510 -1.592 0.000 1.134 59 N CA -0.334 51.940 53.050 -1.293 0.000 0.856 59 N CB -0.004 37.859 38.487 -1.040 0.000 1.068 59 N HN 0.305 nan 8.380 nan 0.000 0.510 60 R N -0.373 119.229 120.500 -1.498 0.000 2.590 60 R HA 0.156 4.496 4.340 0.000 0.000 0.274 60 R C -0.822 175.202 176.300 -0.459 0.000 1.061 60 R CA -0.310 55.253 56.100 -0.895 0.000 1.081 60 R CB 0.331 30.406 30.300 -0.374 0.000 0.984 60 R HN 0.010 nan 8.270 nan 0.000 0.448 61 D N 2.195 122.451 120.400 -0.241 0.000 2.443 61 D HA 0.057 4.697 4.640 0.000 0.000 0.239 61 D C -0.112 176.151 176.300 -0.062 0.000 1.136 61 D CA 0.340 54.295 54.000 -0.076 0.000 0.879 61 D CB 0.692 41.565 40.800 0.121 0.000 1.195 61 D HN 0.354 nan 8.370 nan 0.000 0.443 62 R N 1.271 121.757 120.500 -0.023 0.000 2.393 62 R HA 0.422 4.763 4.340 0.000 0.000 0.310 62 R C -0.626 175.743 176.300 0.115 0.000 0.968 62 R CA -0.817 55.283 56.100 0.000 0.000 0.867 62 R CB 1.320 31.606 30.300 -0.023 0.000 1.124 62 R HN 0.324 nan 8.270 nan 0.000 0.450 63 F N 3.108 122.990 119.950 -0.114 0.000 2.458 63 F HA 0.503 5.030 4.527 0.000 0.000 0.336 63 F C -1.030 174.742 175.800 -0.046 0.000 1.114 63 F CA -0.824 57.111 58.000 -0.109 0.000 0.987 63 F CB 1.339 40.131 39.000 -0.347 0.000 1.130 63 F HN 0.120 nan 8.300 nan 0.000 0.458 64 V N 7.443 126.893 119.914 -0.773 0.000 2.444 64 V HA 0.299 4.419 4.120 0.000 0.000 0.294 64 V C -0.781 174.820 176.094 -0.822 0.000 1.022 64 V CA -0.817 61.138 62.300 -0.575 0.000 0.850 64 V CB 1.535 33.215 31.823 -0.237 0.000 0.992 64 V HN 0.698 nan 8.190 nan 0.000 0.426 65 L N 4.297 125.176 121.223 -0.572 0.000 2.356 65 L HA 0.340 4.680 4.340 0.000 0.000 0.282 65 L C 1.450 178.256 176.870 -0.107 0.000 1.132 65 L CA 0.892 55.563 54.840 -0.282 0.000 0.923 65 L CB 1.032 43.050 42.059 -0.068 0.000 1.278 65 L HN 0.724 nan 8.230 nan 0.000 0.436 66 S N 3.078 118.744 115.700 -0.056 0.000 2.383 66 S HA -0.105 4.365 4.470 0.000 0.000 0.227 66 S C 0.982 175.588 174.600 0.009 0.000 1.026 66 S CA 1.163 59.355 58.200 -0.012 0.000 0.981 66 S CB -0.370 62.837 63.200 0.011 0.000 0.818 66 S HN 0.910 nan 8.310 nan 0.000 0.472 67 N N 0.621 119.322 118.700 0.002 0.000 3.178 67 N HA 0.218 4.958 4.740 0.000 0.000 0.300 67 N C 1.063 176.420 175.510 -0.255 0.000 1.242 67 N CA 0.151 53.157 53.050 -0.073 0.000 1.192 67 N CB 0.545 38.995 38.487 -0.062 0.000 1.463 67 N HN 0.241 nan 8.380 nan 0.000 0.539 68 G N 1.664 110.429 108.800 -0.058 0.000 2.499 68 G HA2 -0.358 3.603 3.960 0.000 0.000 0.221 68 G HA3 -0.358 3.603 3.960 0.000 0.000 0.221 68 G C 1.346 176.234 174.900 -0.019 0.000 1.109 68 G CA 0.724 45.828 45.100 0.006 0.000 0.749 68 G HN 0.830 nan 8.290 nan 0.000 0.568 69 H N -0.225 118.860 119.070 0.024 0.000 2.518 69 H HA 0.200 4.756 4.556 0.000 0.000 0.289 69 H C 2.146 177.317 175.328 -0.263 0.000 1.051 69 H CA 0.862 56.734 56.048 -0.293 0.000 1.280 69 H CB -0.523 28.868 29.762 -0.618 0.000 1.380 69 H HN 0.309 nan 8.280 nan 0.000 0.566 70 A N 1.763 124.284 122.820 -0.498 0.000 2.291 70 A HA 0.186 4.506 4.320 0.000 0.000 0.220 70 A C 2.327 179.812 177.584 -0.166 0.000 1.262 70 A CA 0.384 52.278 52.037 -0.238 0.000 0.867 70 A CB -0.807 18.071 19.000 -0.204 0.000 0.888 70 A HN 0.285 nan 8.150 nan 0.000 0.487 71 V N -0.157 119.634 119.914 -0.204 0.000 2.527 71 V HA -0.330 3.790 4.120 0.000 0.000 0.255 71 V C 2.645 178.449 176.094 -0.484 0.000 1.081 71 V CA 2.377 64.469 62.300 -0.346 0.000 1.092 71 V CB -0.640 30.984 31.823 -0.331 0.000 0.673 71 V HN 0.663 nan 8.190 nan 0.000 0.470 72 A N -0.642 121.973 122.820 -0.342 0.000 1.972 72 A HA -0.184 4.137 4.320 0.000 0.000 0.219 72 A C 2.230 179.675 177.584 -0.231 0.000 1.169 72 A CA 2.074 53.882 52.037 -0.382 0.000 0.635 72 A CB -0.530 18.273 19.000 -0.329 0.000 0.810 72 A HN 0.632 nan 8.150 nan 0.000 0.446 73 L N -1.003 120.113 121.223 -0.179 0.000 2.027 73 L HA -0.118 4.222 4.340 0.000 0.000 0.206 73 L C 2.438 179.187 176.870 -0.201 0.000 1.074 73 L CA 1.825 56.576 54.840 -0.149 0.000 0.745 73 L CB -0.272 41.749 42.059 -0.065 0.000 0.898 73 L HN 0.428 nan 8.230 nan 0.000 0.433 74 L N -0.616 120.495 121.223 -0.187 0.000 2.046 74 L HA -0.246 4.094 4.340 0.000 0.000 0.208 74 L C 2.362 179.165 176.870 -0.111 0.000 1.077 74 L CA 1.909 56.657 54.840 -0.154 0.000 0.747 74 L CB -0.965 41.066 42.059 -0.046 0.000 0.896 74 L HN 0.233 nan 8.230 nan 0.000 0.432 75 Y N -0.256 119.987 120.300 -0.094 0.000 2.242 75 Y HA -0.101 4.449 4.550 0.000 0.000 0.291 75 Y C 2.851 178.705 175.900 -0.077 0.000 1.137 75 Y CA 0.922 58.979 58.100 -0.070 0.000 1.181 75 Y CB -1.382 37.034 38.460 -0.073 0.000 0.989 75 Y HN 0.224 nan 8.280 nan 0.000 0.527 76 S N -0.504 115.207 115.700 0.018 0.000 2.382 76 S HA -0.184 4.286 4.470 0.000 0.000 0.228 76 S C 2.066 176.602 174.600 -0.107 0.000 1.027 76 S CA 1.341 59.533 58.200 -0.013 0.000 0.991 76 S CB -0.224 62.929 63.200 -0.079 0.000 0.823 76 S HN 0.298 nan 8.310 nan 0.000 0.469 77 M N 0.955 120.350 119.600 -0.341 0.000 2.156 77 M HA 0.097 4.577 4.480 0.000 0.000 0.264 77 M C 2.079 178.102 176.300 -0.462 0.000 1.067 77 M CA 1.187 56.081 55.300 -0.677 0.000 1.131 77 M CB -1.558 30.117 32.600 -1.542 0.000 1.368 77 M HN 0.276 nan 8.290 nan 0.000 0.416 78 L N -1.024 120.043 121.223 -0.261 0.000 2.079 78 L HA -0.263 4.077 4.340 0.000 0.000 0.210 78 L C 2.658 179.644 176.870 0.193 0.000 1.081 78 L CA 1.446 56.296 54.840 0.016 0.000 0.752 78 L CB -0.916 41.139 42.059 -0.006 0.000 0.896 78 L HN 0.340 nan 8.230 nan 0.000 0.433 79 H N 0.434 119.561 119.070 0.095 0.000 2.299 79 H HA -0.131 4.425 4.556 0.000 0.000 0.302 79 H C 2.123 177.573 175.328 0.203 0.000 1.078 79 H CA 1.716 57.856 56.048 0.153 0.000 1.323 79 H CB -0.152 29.689 29.762 0.132 0.000 1.381 79 H HN 0.136 nan 8.280 nan 0.000 0.498 80 L N -0.030 121.125 121.223 -0.113 0.000 2.201 80 L HA -0.085 4.255 4.340 0.000 0.000 0.212 80 L C 2.150 179.035 176.870 0.026 0.000 1.105 80 L CA 1.618 56.430 54.840 -0.047 0.000 0.775 80 L CB -0.454 41.630 42.059 0.042 0.000 0.913 80 L HN 0.504 nan 8.230 nan 0.000 0.440 81 T N -3.988 110.516 114.554 -0.084 0.000 3.107 81 T HA 0.331 4.681 4.350 0.000 0.000 0.249 81 T C 1.309 176.048 174.700 0.065 0.000 1.096 81 T CA 0.395 62.480 62.100 -0.026 0.000 1.012 81 T CB 0.638 69.519 68.868 0.022 0.000 0.977 81 T HN 0.450 nan 8.240 nan 0.000 0.527 82 G N 0.100 108.934 108.800 0.056 0.000 2.184 82 G HA2 -0.188 3.772 3.960 0.000 0.000 0.206 82 G HA3 -0.188 3.772 3.960 0.000 0.000 0.206 82 G C -0.160 174.703 174.900 -0.062 0.000 0.995 82 G CA -0.466 44.622 45.100 -0.021 0.000 0.651 82 G HN 0.554 nan 8.290 nan 0.000 0.511 83 Y N 0.833 121.160 120.300 0.044 0.000 2.330 83 Y HA 0.409 4.959 4.550 0.000 0.000 0.341 83 Y C 1.078 177.014 175.900 0.061 0.000 1.278 83 Y CA 0.078 58.217 58.100 0.064 0.000 1.453 83 Y CB 0.474 38.995 38.460 0.102 0.000 1.342 83 Y HN 0.070 nan 8.280 nan 0.000 0.590 84 D N 2.142 122.671 120.400 0.215 0.000 2.598 84 D HA 0.130 4.770 4.640 0.000 0.000 0.231 84 D C -1.594 174.793 176.300 0.145 0.000 1.127 84 D CA 0.379 54.463 54.000 0.140 0.000 1.126 84 D CB -0.916 39.942 40.800 0.097 0.000 1.124 84 D HN 0.291 nan 8.370 nan 0.000 0.485 85 L N 2.078 123.410 121.223 0.181 0.000 2.541 85 L HA 0.317 4.657 4.340 0.000 0.000 0.266 85 L C -0.336 176.679 176.870 0.241 0.000 0.966 85 L CA -0.466 54.463 54.840 0.148 0.000 0.871 85 L CB 1.543 43.685 42.059 0.137 0.000 1.232 85 L HN 0.148 nan 8.230 nan 0.000 0.408 86 S N 4.197 119.969 115.700 0.120 0.000 2.693 86 S HA 0.470 4.940 4.470 0.000 0.000 0.276 86 S C 1.426 175.943 174.600 -0.138 0.000 1.192 86 S CA -0.875 57.379 58.200 0.091 0.000 0.994 86 S CB 0.957 64.182 63.200 0.042 0.000 1.012 86 S HN 0.485 nan 8.310 nan 0.000 0.550 87 I N 0.792 121.189 120.570 -0.288 0.000 2.194 87 I HA -0.147 4.023 4.170 0.000 0.000 0.246 87 I C 2.667 178.650 176.117 -0.222 0.000 1.093 87 I CA 1.839 62.968 61.300 -0.284 0.000 1.355 87 I CB -1.637 36.264 38.000 -0.166 0.000 1.046 87 I HN 0.853 nan 8.210 nan 0.000 0.413 88 E N 1.477 121.585 120.200 -0.154 0.000 2.118 88 E HA -0.218 4.132 4.350 0.000 0.000 0.195 88 E C 1.711 178.235 176.600 -0.126 0.000 0.992 88 E CA 1.513 57.824 56.400 -0.148 0.000 0.804 88 E CB -0.156 29.490 29.700 -0.090 0.000 0.741 88 E HN 0.412 nan 8.360 nan 0.000 0.458 89 D N 0.018 120.360 120.400 -0.097 0.000 2.117 89 D HA -0.151 4.489 4.640 0.000 0.000 0.197 89 D C 2.080 178.333 176.300 -0.080 0.000 0.987 89 D CA 1.039 54.988 54.000 -0.084 0.000 0.829 89 D CB -0.235 40.513 40.800 -0.087 0.000 0.961 89 D HN 0.293 nan 8.370 nan 0.000 0.460 90 L N 0.548 121.720 121.223 -0.084 0.000 2.083 90 L HA -0.153 4.187 4.340 0.000 0.000 0.209 90 L C 2.272 179.163 176.870 0.034 0.000 1.083 90 L CA 1.099 55.943 54.840 0.008 0.000 0.752 90 L CB -0.385 41.731 42.059 0.096 0.000 0.899 90 L HN -0.049 nan 8.230 nan 0.000 0.433 91 K N -0.032 120.235 120.400 -0.223 0.000 2.360 91 K HA -0.157 4.163 4.320 0.000 0.000 0.201 91 K C 1.370 177.943 176.600 -0.046 0.000 1.046 91 K CA 0.871 56.992 56.287 -0.277 0.000 0.945 91 K CB 0.001 32.231 32.500 -0.451 0.000 0.750 91 K HN 0.397 nan 8.250 nan 0.000 0.464 92 Q N -0.033 119.767 119.800 0.001 0.000 2.201 92 Q HA 0.092 4.432 4.340 0.000 0.000 0.217 92 Q C -0.687 175.381 176.000 0.114 0.000 0.860 92 Q CA -0.516 55.309 55.803 0.036 0.000 0.984 92 Q CB 0.245 28.980 28.738 -0.005 0.000 1.095 92 Q HN 0.118 nan 8.270 nan 0.000 0.477 93 F N 1.620 121.582 119.950 0.020 0.000 2.602 93 F HA -0.043 4.485 4.527 0.000 0.000 0.385 93 F C 0.868 176.713 175.800 0.075 0.000 1.063 93 F CA 0.694 58.737 58.000 0.071 0.000 1.233 93 F CB 0.133 39.217 39.000 0.140 0.000 1.067 93 F HN 0.190 nan 8.300 nan 0.000 0.564 94 R N 0.964 121.257 120.500 -0.344 0.000 3.954 94 R HA -0.200 4.140 4.340 0.000 0.000 0.422 94 R C -0.410 175.804 176.300 -0.144 0.000 1.091 94 R CA 0.984 56.856 56.100 -0.380 0.000 1.168 94 R CB -1.215 28.726 30.300 -0.600 0.000 1.752 94 R HN 0.628 nan 8.270 nan 0.000 0.547 95 Q N 0.788 120.552 119.800 -0.061 0.000 2.222 95 Q HA 0.278 4.618 4.340 0.000 0.000 0.252 95 Q C -0.008 175.985 176.000 -0.012 0.000 0.926 95 Q CA -0.919 54.869 55.803 -0.025 0.000 0.899 95 Q CB 1.019 29.754 28.738 -0.006 0.000 1.250 95 Q HN 0.139 nan 8.270 nan 0.000 0.441 96 L N 1.353 122.571 121.223 -0.007 0.000 2.559 96 L HA 0.182 4.522 4.340 0.000 0.000 0.274 96 L C 1.113 177.985 176.870 0.004 0.000 1.205 96 L CA 2.063 56.904 54.840 0.001 0.000 0.907 96 L CB -0.208 41.851 42.059 0.001 0.000 1.153 96 L HN 0.928 nan 8.230 nan 0.000 0.490 97 G N 2.288 111.094 108.800 0.010 0.000 2.184 97 G HA2 -0.304 3.656 3.960 0.000 0.000 0.264 97 G HA3 -0.304 3.656 3.960 0.000 0.000 0.264 97 G C 0.362 175.266 174.900 0.007 0.000 0.975 97 G CA 0.482 45.587 45.100 0.010 0.000 0.642 97 G HN 1.153 nan 8.290 nan 0.000 0.536 98 S N -0.761 114.942 115.700 0.007 0.000 2.624 98 S HA 0.575 5.045 4.470 0.000 0.000 0.263 98 S C 1.231 175.829 174.600 -0.003 0.000 1.287 98 S CA -0.059 58.141 58.200 -0.001 0.000 0.990 98 S CB 1.252 64.453 63.200 0.001 0.000 0.950 98 S HN 0.316 nan 8.310 nan 0.000 0.561 99 R N 0.236 120.720 120.500 -0.028 0.000 2.323 99 R HA 0.024 4.364 4.340 0.000 0.000 0.198 99 R C 0.282 176.515 176.300 -0.112 0.000 0.988 99 R CA 0.958 57.029 56.100 -0.047 0.000 1.041 99 R CB -0.568 29.697 30.300 -0.059 0.000 0.926 99 R HN 0.869 nan 8.270 nan 0.000 0.476 100 T N 0.047 114.536 114.554 -0.107 0.000 3.390 100 T HA 0.275 4.625 4.350 0.000 0.000 0.315 100 T C -2.396 172.427 174.700 0.205 0.000 1.799 100 T CA -1.920 60.084 62.100 -0.160 0.000 1.553 100 T CB 1.088 69.840 68.868 -0.192 0.000 1.002 100 T HN -0.052 nan 8.240 nan 0.000 0.715 101 P HA 0.141 nan 4.420 nan 0.000 0.270 101 P C 1.378 178.831 177.300 0.256 0.000 1.223 101 P CA -0.050 63.171 63.100 0.201 0.000 0.785 101 P CB 0.618 32.430 31.700 0.188 0.000 0.923 102 G N 0.614 109.436 108.800 0.036 0.000 2.479 102 G HA2 -0.160 3.800 3.960 0.000 0.000 0.220 102 G HA3 -0.160 3.800 3.960 0.000 0.000 0.220 102 G C 0.066 174.837 174.900 -0.215 0.000 1.115 102 G CA 0.957 45.986 45.100 -0.118 0.000 0.757 102 G HN 0.642 nan 8.290 nan 0.000 0.560 103 H N -0.813 118.363 119.070 0.176 0.000 2.806 103 H HA 0.430 4.986 4.556 0.000 0.000 0.367 103 H C -2.537 172.882 175.328 0.152 0.000 1.136 103 H CA -1.818 54.310 56.048 0.133 0.000 1.178 103 H CB 2.068 31.891 29.762 0.101 0.000 1.718 103 H HN -0.102 nan 8.280 nan 0.000 0.540 104 P HA 0.031 nan 4.420 nan 0.000 0.265 104 P C -0.656 176.780 177.300 0.226 0.000 1.193 104 P CA 0.081 63.299 63.100 0.196 0.000 0.765 104 P CB 0.852 32.610 31.700 0.097 0.000 0.823 105 E N 1.290 121.637 120.200 0.244 0.000 2.212 105 E HA 0.173 4.523 4.350 0.000 0.000 0.268 105 E C 0.258 177.007 176.600 0.249 0.000 0.902 105 E CA -0.670 55.867 56.400 0.228 0.000 0.779 105 E CB 0.860 30.676 29.700 0.194 0.000 1.172 105 E HN 0.306 nan 8.360 nan 0.000 0.409 106 F N 2.949 122.961 119.950 0.103 0.000 2.184 106 F HA -0.243 4.285 4.527 0.000 0.000 0.301 106 F C 1.404 177.258 175.800 0.089 0.000 1.076 106 F CA 1.967 60.028 58.000 0.102 0.000 1.295 106 F CB 0.129 39.177 39.000 0.080 0.000 1.026 106 F HN 0.557 nan 8.300 nan 0.000 0.494 107 E N 0.183 120.399 120.200 0.028 0.000 2.204 107 E HA -0.079 4.271 4.350 0.000 0.000 0.194 107 E C 0.537 177.086 176.600 -0.084 0.000 0.989 107 E CA 0.496 56.835 56.400 -0.103 0.000 0.824 107 E CB -0.280 29.430 29.700 0.017 0.000 0.756 107 E HN 0.295 nan 8.360 nan 0.000 0.477 108 L N 1.567 122.792 121.223 0.003 0.000 2.367 108 L HA 0.221 4.561 4.340 0.000 0.000 0.275 108 L C -2.433 174.445 176.870 0.014 0.000 1.129 108 L CA -2.168 52.689 54.840 0.029 0.000 0.839 108 L CB 0.476 42.594 42.059 0.099 0.000 1.133 108 L HN -0.211 nan 8.230 nan 0.000 0.453 109 P HA 0.216 nan 4.420 nan 0.000 0.264 109 P C 0.480 177.832 177.300 0.087 0.000 1.193 109 P CA 1.016 64.161 63.100 0.076 0.000 0.763 109 P CB 0.708 32.482 31.700 0.123 0.000 0.810 110 G N 1.606 110.446 108.800 0.065 0.000 2.199 110 G HA2 -0.215 3.745 3.960 0.000 0.000 0.254 110 G HA3 -0.215 3.745 3.960 0.000 0.000 0.254 110 G C 0.061 174.943 174.900 -0.030 0.000 0.982 110 G CA -0.191 44.842 45.100 -0.112 0.000 0.632 110 G HN 0.525 nan 8.290 nan 0.000 0.529 111 V N 1.855 121.800 119.914 0.052 0.000 2.364 111 V HA 0.378 4.498 4.120 0.000 0.000 0.272 111 V C 1.221 177.406 176.094 0.152 0.000 1.036 111 V CA -0.368 62.005 62.300 0.123 0.000 0.880 111 V CB 1.577 33.499 31.823 0.164 0.000 0.991 111 V HN 0.274 nan 8.190 nan 0.000 0.460 112 E N 3.292 123.591 120.200 0.164 0.000 2.216 112 E HA 0.011 4.361 4.350 0.000 0.000 0.192 112 E C 0.307 177.139 176.600 0.387 0.000 0.988 112 E CA 0.816 57.345 56.400 0.215 0.000 0.834 112 E CB 0.551 30.313 29.700 0.103 0.000 0.772 112 E HN 0.675 nan 8.360 nan 0.000 0.479 113 V N -2.810 117.298 119.914 0.324 0.000 3.242 113 V HA 0.359 4.479 4.120 0.000 0.000 0.298 113 V C -0.264 175.984 176.094 0.257 0.000 1.352 113 V CA -1.208 61.264 62.300 0.287 0.000 1.052 113 V CB 1.655 33.531 31.823 0.087 0.000 1.101 113 V HN -0.225 nan 8.190 nan 0.000 0.446 114 T N 3.062 117.755 114.554 0.232 0.000 2.814 114 T HA 0.621 4.971 4.350 0.000 0.000 0.297 114 T C 0.312 175.088 174.700 0.127 0.000 0.956 114 T CA 0.528 62.740 62.100 0.186 0.000 1.123 114 T CB 0.635 69.600 68.868 0.163 0.000 0.902 114 T HN 1.291 nan 8.240 nan 0.000 0.528 115 T N -0.350 114.274 114.554 0.117 0.000 2.831 115 T HA 0.845 5.195 4.350 0.000 0.000 0.287 115 T C 0.791 175.550 174.700 0.099 0.000 1.070 115 T CA -0.046 62.102 62.100 0.081 0.000 1.010 115 T CB 2.052 70.949 68.868 0.048 0.000 1.264 115 T HN 0.740 nan 8.240 nan 0.000 0.532 116 G N 0.273 109.117 108.800 0.072 0.000 3.753 116 G HA2 0.021 3.982 3.960 0.000 0.000 0.196 116 G HA3 0.021 3.982 3.960 0.000 0.000 0.196 116 G C -2.500 172.379 174.900 -0.036 0.000 1.538 116 G CA -0.355 44.766 45.100 0.035 0.000 1.040 116 G HN 0.892 nan 8.290 nan 0.000 0.427 117 P HA 0.424 nan 4.420 nan 0.000 0.260 117 P C 0.437 177.744 177.300 0.012 0.000 1.185 117 P CA 0.121 63.215 63.100 -0.010 0.000 0.763 117 P CB 0.334 32.041 31.700 0.012 0.000 0.776 118 L N 2.270 123.502 121.223 0.015 0.000 2.467 118 L HA 0.237 4.577 4.340 0.000 0.000 0.270 118 L C 1.863 178.724 176.870 -0.016 0.000 1.205 118 L CA 0.781 55.630 54.840 0.014 0.000 0.828 118 L CB -0.318 41.748 42.059 0.012 0.000 1.101 118 L HN 0.776 nan 8.230 nan 0.000 0.479 119 G N 0.351 109.136 108.800 -0.025 0.000 2.267 119 G HA2 -0.278 3.682 3.960 0.000 0.000 0.257 119 G HA3 -0.278 3.682 3.960 0.000 0.000 0.257 119 G C 1.003 175.857 174.900 -0.076 0.000 0.998 119 G CA 0.338 45.404 45.100 -0.057 0.000 0.620 119 G HN 0.608 nan 8.290 nan 0.000 0.529 120 Q N 0.335 120.100 119.800 -0.058 0.000 2.020 120 Q HA 0.021 4.362 4.340 0.000 0.000 0.198 120 Q C 2.842 178.816 176.000 -0.042 0.000 0.974 120 Q CA 1.995 57.762 55.803 -0.060 0.000 0.829 120 Q CB -1.057 27.671 28.738 -0.017 0.000 0.894 120 Q HN 0.660 nan 8.270 nan 0.000 0.433 121 G N 1.810 110.596 108.800 -0.023 0.000 2.491 121 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 121 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 121 G C 1.506 176.390 174.900 -0.027 0.000 1.180 121 G CA 1.098 46.182 45.100 -0.028 0.000 0.774 121 G HN 0.358 nan 8.290 nan 0.000 0.562 122 I N 1.238 121.804 120.570 -0.008 0.000 2.264 122 I HA -0.139 4.031 4.170 0.000 0.000 0.248 122 I C 2.676 178.803 176.117 0.017 0.000 1.111 122 I CA 1.996 63.312 61.300 0.026 0.000 1.382 122 I CB -0.326 37.701 38.000 0.045 0.000 1.060 122 I HN 0.118 nan 8.210 nan 0.000 0.418 123 S N 0.441 116.127 115.700 -0.023 0.000 2.414 123 S HA -0.075 4.395 4.470 0.000 0.000 0.227 123 S C 1.679 176.244 174.600 -0.058 0.000 1.022 123 S CA 1.365 59.541 58.200 -0.040 0.000 0.958 123 S CB -0.758 62.394 63.200 -0.081 0.000 0.797 123 S HN 0.618 nan 8.310 nan 0.000 0.493 124 N N 2.095 120.754 118.700 -0.068 0.000 2.166 124 N HA -0.015 4.725 4.740 0.000 0.000 0.186 124 N C 1.918 177.375 175.510 -0.088 0.000 1.019 124 N CA 0.992 53.985 53.050 -0.095 0.000 0.856 124 N CB -0.268 38.162 38.487 -0.096 0.000 0.993 124 N HN 0.408 nan 8.380 nan 0.000 0.426 125 A N 0.808 123.594 122.820 -0.056 0.000 1.933 125 A HA -0.080 4.240 4.320 0.000 0.000 0.218 125 A C 2.367 179.912 177.584 -0.064 0.000 1.175 125 A CA 1.030 53.038 52.037 -0.049 0.000 0.628 125 A CB -0.717 18.273 19.000 -0.016 0.000 0.814 125 A HN 0.101 nan 8.150 nan 0.000 0.444 126 V N -0.046 119.842 119.914 -0.043 0.000 2.287 126 V HA -0.211 3.909 4.120 0.000 0.000 0.248 126 V C 2.821 178.833 176.094 -0.138 0.000 1.053 126 V CA 2.046 64.306 62.300 -0.065 0.000 1.027 126 V CB -1.454 30.361 31.823 -0.014 0.000 0.646 126 V HN 0.607 nan 8.190 nan 0.000 0.447 127 G N -0.899 107.812 108.800 -0.149 0.000 2.422 127 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 127 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 127 G C 1.619 176.345 174.900 -0.291 0.000 1.146 127 G CA 1.067 46.031 45.100 -0.227 0.000 0.769 127 G HN 0.444 nan 8.290 nan 0.000 0.547 128 M N 0.729 120.206 119.600 -0.205 0.000 2.132 128 M HA 0.058 4.538 4.480 0.000 0.000 0.263 128 M C 3.020 179.143 176.300 -0.295 0.000 1.065 128 M CA 1.324 56.523 55.300 -0.168 0.000 1.122 128 M CB -0.140 32.453 32.600 -0.012 0.000 1.365 128 M HN 0.292 nan 8.290 nan 0.000 0.411 129 A N 0.185 122.853 122.820 -0.253 0.000 1.933 129 A HA -0.151 4.169 4.320 0.000 0.000 0.218 129 A C 2.104 179.463 177.584 -0.375 0.000 1.175 129 A CA 1.530 53.392 52.037 -0.292 0.000 0.628 129 A CB -0.591 18.268 19.000 -0.235 0.000 0.814 129 A HN 0.457 nan 8.150 nan 0.000 0.444 130 M N -0.519 118.845 119.600 -0.393 0.000 2.117 130 M HA -0.119 4.362 4.480 0.000 0.000 0.262 130 M C 2.516 178.417 176.300 -0.665 0.000 1.065 130 M CA 1.468 56.481 55.300 -0.479 0.000 1.114 130 M CB -0.381 31.849 32.600 -0.617 0.000 1.361 130 M HN 0.452 nan 8.290 nan 0.000 0.408 131 A N -0.346 121.976 122.820 -0.830 0.000 1.902 131 A HA -0.198 4.123 4.320 0.000 0.000 0.217 131 A C 2.160 179.106 177.584 -1.063 0.000 1.181 131 A CA 1.478 52.823 52.037 -1.154 0.000 0.623 131 A CB -0.758 17.347 19.000 -1.491 0.000 0.818 131 A HN 0.500 nan 8.150 nan 0.000 0.443 132 Q N 0.057 119.209 119.800 -1.080 0.000 2.061 132 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 132 Q C 2.245 178.042 176.000 -0.337 0.000 0.984 132 Q CA 2.090 57.519 55.803 -0.623 0.000 0.846 132 Q CB -0.503 28.016 28.738 -0.364 0.000 0.902 132 Q HN 0.557 nan 8.270 nan 0.000 0.421 133 A N 1.490 124.091 122.820 -0.365 0.000 1.933 133 A HA -0.200 4.120 4.320 0.000 0.000 0.218 133 A C 1.977 179.509 177.584 -0.087 0.000 1.175 133 A CA 1.672 53.506 52.037 -0.338 0.000 0.628 133 A CB -0.805 17.797 19.000 -0.663 0.000 0.814 133 A HN 0.582 nan 8.150 nan 0.000 0.444 134 N N -0.291 118.406 118.700 -0.004 0.000 2.171 134 N HA -0.113 4.627 4.740 0.000 0.000 0.184 134 N C 1.768 177.358 175.510 0.133 0.000 1.021 134 N CA 1.456 54.594 53.050 0.147 0.000 0.854 134 N CB -0.203 38.326 38.487 0.069 0.000 0.994 134 N HN 0.340 nan 8.380 nan 0.000 0.426 135 L N 1.665 122.967 121.223 0.131 0.000 2.017 135 L HA -0.064 4.277 4.340 0.000 0.000 0.208 135 L C 2.501 179.488 176.870 0.195 0.000 1.073 135 L CA 1.880 56.873 54.840 0.255 0.000 0.745 135 L CB -0.862 41.366 42.059 0.281 0.000 0.894 135 L HN 0.188 nan 8.230 nan 0.000 0.432 136 A N -0.618 122.254 122.820 0.086 0.000 1.892 136 A HA -0.213 4.108 4.320 0.000 0.000 0.218 136 A C 2.381 179.995 177.584 0.051 0.000 1.188 136 A CA 2.082 54.153 52.037 0.057 0.000 0.631 136 A CB -1.220 17.774 19.000 -0.010 0.000 0.822 136 A HN 0.547 nan 8.150 nan 0.000 0.447 137 A N -1.608 121.240 122.820 0.047 0.000 2.066 137 A HA 0.062 4.382 4.320 0.000 0.000 0.218 137 A C 2.159 179.731 177.584 -0.021 0.000 1.157 137 A CA 1.962 54.022 52.037 0.038 0.000 0.670 137 A CB -0.721 18.330 19.000 0.086 0.000 0.804 137 A HN 0.453 nan 8.150 nan 0.000 0.453 138 T N -1.997 112.507 114.554 -0.083 0.000 2.939 138 T HA 0.043 4.393 4.350 0.000 0.000 0.254 138 T C 1.354 175.765 174.700 -0.482 0.000 1.041 138 T CA 1.326 63.233 62.100 -0.322 0.000 1.142 138 T CB -0.252 68.318 68.868 -0.498 0.000 0.874 138 T HN 0.572 nan 8.240 nan 0.000 0.452 139 Y N 0.441 120.761 120.300 0.034 0.000 2.483 139 Y HA 0.395 4.945 4.550 0.000 0.000 0.258 139 Y C 0.762 176.674 175.900 0.020 0.000 1.083 139 Y CA -1.065 57.055 58.100 0.033 0.000 1.283 139 Y CB -0.170 38.273 38.460 -0.028 0.000 1.178 139 Y HN 0.002 nan 8.280 nan 0.000 0.515 140 N N 2.255 121.030 118.700 0.125 0.000 2.412 140 N HA 0.105 4.846 4.740 0.000 0.000 0.254 140 N C -0.412 175.154 175.510 0.094 0.000 1.232 140 N CA 0.426 53.543 53.050 0.112 0.000 0.880 140 N CB 0.507 39.045 38.487 0.085 0.000 1.076 140 N HN 0.138 nan 8.380 nan 0.000 0.458 141 K N 1.503 121.998 120.400 0.158 0.000 2.444 141 K HA 0.539 4.859 4.320 0.000 0.000 0.252 141 K C -2.589 174.154 176.600 0.238 0.000 0.993 141 K CA -1.888 54.462 56.287 0.104 0.000 0.847 141 K CB 1.452 33.828 32.500 -0.208 0.000 1.340 141 K HN 0.242 nan 8.250 nan 0.000 0.446 142 P HA 0.041 nan 4.420 nan 0.000 0.263 142 P C 0.317 177.716 177.300 0.165 0.000 1.195 142 P CA 0.919 64.120 63.100 0.168 0.000 0.762 142 P CB 0.427 32.215 31.700 0.146 0.000 0.799 143 G N 2.170 110.965 108.800 -0.009 0.000 2.199 143 G HA2 -0.264 3.696 3.960 0.000 0.000 0.254 143 G HA3 -0.264 3.696 3.960 0.000 0.000 0.254 143 G C -0.064 174.458 174.900 -0.630 0.000 0.982 143 G CA -0.400 44.524 45.100 -0.293 0.000 0.632 143 G HN 0.435 nan 8.290 nan 0.000 0.529 144 F N 1.981 122.015 119.950 0.140 0.000 2.660 144 F HA 0.439 4.967 4.527 0.000 0.000 0.352 144 F C 0.475 176.319 175.800 0.074 0.000 1.257 144 F CA -0.588 57.498 58.000 0.144 0.000 1.200 144 F CB 1.307 40.498 39.000 0.319 0.000 1.473 144 F HN -0.078 nan 8.300 nan 0.000 0.561 145 T N 3.497 118.128 114.554 0.129 0.000 2.987 145 T HA 0.213 4.563 4.350 0.000 0.000 0.288 145 T C 1.585 176.367 174.700 0.135 0.000 0.981 145 T CA 0.080 62.248 62.100 0.113 0.000 1.031 145 T CB 0.162 69.079 68.868 0.082 0.000 0.976 145 T HN 0.446 nan 8.240 nan 0.000 0.612 146 L N 1.510 122.804 121.223 0.119 0.000 2.270 146 L HA 0.178 4.518 4.340 0.000 0.000 0.210 146 L C 1.433 178.492 176.870 0.315 0.000 1.104 146 L CA 0.433 55.379 54.840 0.177 0.000 0.804 146 L CB 0.216 42.254 42.059 -0.035 0.000 0.937 146 L HN 0.428 nan 8.230 nan 0.000 0.450 147 S N 0.234 116.023 115.700 0.149 0.000 2.707 147 S HA 0.357 4.827 4.470 0.000 0.000 0.303 147 S C -0.799 173.804 174.600 0.005 0.000 1.132 147 S CA -0.679 57.566 58.200 0.076 0.000 1.046 147 S CB 0.847 64.099 63.200 0.088 0.000 1.004 147 S HN 0.393 nan 8.310 nan 0.000 0.483 148 D N 2.783 123.148 120.400 -0.059 0.000 2.755 148 D HA 0.012 4.652 4.640 0.000 0.000 0.293 148 D C -0.075 176.064 176.300 -0.268 0.000 1.642 148 D CA -0.415 53.503 54.000 -0.137 0.000 0.825 148 D CB -0.957 39.805 40.800 -0.063 0.000 1.303 148 D HN 0.571 nan 8.370 nan 0.000 0.434 149 N N 0.423 118.966 118.700 -0.261 0.000 2.399 149 N HA 0.021 4.761 4.740 0.000 0.000 0.250 149 N C -0.758 174.454 175.510 -0.497 0.000 1.272 149 N CA 0.185 53.050 53.050 -0.308 0.000 0.928 149 N CB 0.810 39.142 38.487 -0.259 0.000 1.158 149 N HN -0.048 nan 8.380 nan 0.000 0.463 150 Y N -0.768 119.389 120.300 -0.240 0.000 2.376 150 Y HA 0.264 4.814 4.550 0.000 0.000 0.325 150 Y C 0.455 176.080 175.900 -0.458 0.000 1.199 150 Y CA -0.349 57.498 58.100 -0.421 0.000 1.206 150 Y CB 1.726 39.755 38.460 -0.718 0.000 1.229 150 Y HN 0.391 nan 8.280 nan 0.000 0.480 151 T N 3.062 117.423 114.554 -0.322 0.000 2.791 151 T HA 0.432 4.782 4.350 0.000 0.000 0.288 151 T C -1.378 173.200 174.700 -0.203 0.000 0.999 151 T CA -0.663 61.309 62.100 -0.213 0.000 0.952 151 T CB -0.092 68.696 68.868 -0.134 0.000 0.938 151 T HN 0.260 nan 8.240 nan 0.000 0.444 152 Y N 1.384 121.723 120.300 0.065 0.000 2.429 152 Y HA 0.668 5.218 4.550 0.000 0.000 0.342 152 Y C -0.092 175.821 175.900 0.022 0.000 1.004 152 Y CA -1.133 57.030 58.100 0.105 0.000 1.075 152 Y CB 1.626 40.188 38.460 0.171 0.000 1.214 152 Y HN 0.323 nan 8.280 nan 0.000 0.455 153 V N 3.785 123.858 119.914 0.265 0.000 2.686 153 V HA 0.419 4.540 4.120 0.000 0.000 0.306 153 V C -1.005 175.286 176.094 0.329 0.000 1.065 153 V CA -1.052 61.311 62.300 0.105 0.000 0.894 153 V CB 1.797 33.690 31.823 0.117 0.000 1.004 153 V HN 0.432 nan 8.190 nan 0.000 0.424 154 F N 5.155 125.067 119.950 -0.062 0.000 2.422 154 F HA 0.885 5.412 4.527 0.000 0.000 0.333 154 F C 0.092 175.903 175.800 0.018 0.000 1.095 154 F CA -1.388 56.642 58.000 0.050 0.000 1.038 154 F CB 1.749 40.816 39.000 0.111 0.000 1.156 154 F HN 0.508 nan 8.300 nan 0.000 0.483 155 L N 0.224 121.557 121.223 0.183 0.000 2.671 155 L HA 1.069 5.409 4.340 0.000 0.000 0.259 155 L C -0.737 176.243 176.870 0.183 0.000 1.021 155 L CA -0.837 54.082 54.840 0.132 0.000 0.871 155 L CB 2.053 44.159 42.059 0.077 0.000 1.472 155 L HN 0.630 nan 8.230 nan 0.000 0.410 156 G N -0.433 108.474 108.800 0.178 0.000 3.140 156 G HA2 0.361 4.321 3.960 0.000 0.000 0.271 156 G HA3 0.361 4.321 3.960 0.000 0.000 0.271 156 G C -0.439 174.594 174.900 0.223 0.000 1.370 156 G CA -0.091 45.162 45.100 0.255 0.000 1.014 156 G HN 0.718 nan 8.290 nan 0.000 0.541 157 D N -0.043 120.507 120.400 0.250 0.000 2.123 157 D HA -0.121 4.520 4.640 0.000 0.000 0.196 157 D C 2.463 178.645 176.300 -0.197 0.000 0.992 157 D CA 1.670 55.721 54.000 0.085 0.000 0.833 157 D CB -0.356 40.514 40.800 0.117 0.000 0.954 157 D HN 0.445 nan 8.370 nan 0.000 0.455 158 G N 0.638 109.385 108.800 -0.088 0.000 2.442 158 G HA2 -0.273 3.688 3.960 0.000 0.000 0.219 158 G HA3 -0.273 3.688 3.960 0.000 0.000 0.219 158 G C 1.923 176.757 174.900 -0.109 0.000 1.141 158 G CA 0.876 45.905 45.100 -0.117 0.000 0.763 158 G HN 0.313 nan 8.290 nan 0.000 0.554 159 C N 0.157 119.425 119.300 -0.055 0.000 2.435 159 C HA 0.131 4.592 4.460 0.000 0.000 0.279 159 C C 2.761 177.691 174.990 -0.100 0.000 1.321 159 C CA 0.329 59.314 59.018 -0.056 0.000 1.752 159 C CB -0.912 26.816 27.740 -0.019 0.000 1.959 159 C HN 0.410 nan 8.230 nan 0.000 0.500 160 L N 0.011 121.137 121.223 -0.162 0.000 2.418 160 L HA -0.073 4.267 4.340 0.000 0.000 0.218 160 L C 2.548 179.318 176.870 -0.165 0.000 1.125 160 L CA 0.960 55.714 54.840 -0.142 0.000 0.835 160 L CB -0.543 41.414 42.059 -0.169 0.000 0.953 160 L HN 0.455 nan 8.230 nan 0.000 0.454 161 Q N -0.436 119.161 119.800 -0.337 0.000 2.269 161 Q HA -0.012 4.328 4.340 0.000 0.000 0.201 161 Q C 0.221 176.149 176.000 -0.120 0.000 0.946 161 Q CA 0.292 55.923 55.803 -0.286 0.000 0.877 161 Q CB 0.379 28.873 28.738 -0.407 0.000 0.963 161 Q HN 0.306 nan 8.270 nan 0.000 0.472 162 E N 0.464 120.603 120.200 -0.102 0.000 2.417 162 E HA -0.029 4.321 4.350 0.000 0.000 0.261 162 E C 0.890 177.470 176.600 -0.034 0.000 1.000 162 E CA 0.201 56.568 56.400 -0.056 0.000 0.919 162 E CB 1.082 30.750 29.700 -0.054 0.000 0.955 162 E HN 0.350 nan 8.360 nan 0.000 0.455 163 G N 4.288 113.081 108.800 -0.012 0.000 2.442 163 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 163 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 163 G C 1.443 176.340 174.900 -0.006 0.000 1.141 163 G CA 0.329 45.433 45.100 0.006 0.000 0.763 163 G HN 0.637 nan 8.290 nan 0.000 0.554 164 I N 1.578 122.130 120.570 -0.029 0.000 2.248 164 I HA -0.248 3.922 4.170 0.000 0.000 0.248 164 I C 2.905 178.962 176.117 -0.101 0.000 1.107 164 I CA 1.981 63.215 61.300 -0.109 0.000 1.373 164 I CB -0.036 37.756 38.000 -0.348 0.000 1.055 164 I HN 0.352 nan 8.210 nan 0.000 0.418 165 S N -1.197 114.456 115.700 -0.079 0.000 2.522 165 S HA -0.034 4.436 4.470 0.000 0.000 0.227 165 S C 1.878 176.430 174.600 -0.080 0.000 0.986 165 S CA 0.888 59.051 58.200 -0.061 0.000 0.929 165 S CB -0.008 63.170 63.200 -0.038 0.000 0.769 165 S HN 0.420 nan 8.310 nan 0.000 0.529 166 S N 2.092 117.749 115.700 -0.072 0.000 2.357 166 S HA -0.022 4.448 4.470 0.000 0.000 0.221 166 S C 1.838 176.309 174.600 -0.216 0.000 1.031 166 S CA 1.191 59.325 58.200 -0.111 0.000 0.982 166 S CB -0.305 62.902 63.200 0.011 0.000 0.853 166 S HN 0.708 nan 8.310 nan 0.000 0.458 167 E N 1.503 121.637 120.200 -0.110 0.000 2.077 167 E HA -0.114 4.236 4.350 0.000 0.000 0.193 167 E C 2.308 178.838 176.600 -0.117 0.000 0.989 167 E CA 1.121 57.466 56.400 -0.091 0.000 0.800 167 E CB -0.251 29.436 29.700 -0.021 0.000 0.746 167 E HN 0.493 nan 8.360 nan 0.000 0.452 168 A N 1.002 123.763 122.820 -0.097 0.000 1.930 168 A HA -0.137 4.183 4.320 0.000 0.000 0.217 168 A C 2.324 179.882 177.584 -0.044 0.000 1.175 168 A CA 1.461 53.468 52.037 -0.051 0.000 0.627 168 A CB -0.325 18.661 19.000 -0.023 0.000 0.815 168 A HN 0.108 nan 8.150 nan 0.000 0.443 169 S N -0.445 115.159 115.700 -0.159 0.000 2.402 169 S HA -0.113 4.357 4.470 0.000 0.000 0.229 169 S C 2.269 176.598 174.600 -0.452 0.000 1.021 169 S CA 1.306 59.386 58.200 -0.200 0.000 0.974 169 S CB -0.266 62.524 63.200 -0.683 0.000 0.800 169 S HN 0.706 nan 8.310 nan 0.000 0.484 170 S N 1.364 116.593 115.700 -0.785 0.000 2.355 170 S HA -0.032 4.439 4.470 0.000 0.000 0.222 170 S C 1.850 176.397 174.600 -0.089 0.000 1.031 170 S CA 0.800 58.699 58.200 -0.502 0.000 0.993 170 S CB -0.411 62.597 63.200 -0.320 0.000 0.859 170 S HN 0.331 nan 8.310 nan 0.000 0.453 171 L N 2.004 123.190 121.223 -0.061 0.000 2.046 171 L HA 0.134 4.474 4.340 0.000 0.000 0.208 171 L C 2.580 179.495 176.870 0.075 0.000 1.077 171 L CA 2.034 56.887 54.840 0.021 0.000 0.747 171 L CB -1.297 40.764 42.059 0.002 0.000 0.896 171 L HN 0.368 nan 8.230 nan 0.000 0.432 172 A N -0.727 122.132 122.820 0.065 0.000 1.940 172 A HA -0.099 4.221 4.320 0.000 0.000 0.219 172 A C 2.333 179.895 177.584 -0.037 0.000 1.176 172 A CA 1.634 53.685 52.037 0.024 0.000 0.631 172 A CB -1.510 17.543 19.000 0.088 0.000 0.814 172 A HN 0.523 nan 8.150 nan 0.000 0.446 173 G N -1.216 107.656 108.800 0.121 0.000 2.414 173 G HA2 -0.281 3.679 3.960 0.000 0.000 0.215 173 G HA3 -0.281 3.679 3.960 0.000 0.000 0.215 173 G C 1.462 176.415 174.900 0.088 0.000 1.188 173 G CA 1.389 46.564 45.100 0.126 0.000 0.783 173 G HN 0.755 nan 8.290 nan 0.000 0.537 174 H N 0.670 119.760 119.070 0.035 0.000 2.319 174 H HA -0.004 4.552 4.556 0.000 0.000 0.297 174 H C 2.260 177.574 175.328 -0.024 0.000 1.097 174 H CA 1.638 57.687 56.048 0.002 0.000 1.285 174 H CB -0.289 29.467 29.762 -0.010 0.000 1.368 174 H HN 0.283 nan 8.280 nan 0.000 0.495 175 L N 0.124 121.298 121.223 -0.081 0.000 2.599 175 L HA 0.025 4.365 4.340 0.000 0.000 0.230 175 L C 0.609 177.434 176.870 -0.074 0.000 1.141 175 L CA 0.519 55.287 54.840 -0.120 0.000 0.877 175 L CB -0.087 42.020 42.059 0.080 0.000 1.009 175 L HN 0.281 nan 8.230 nan 0.000 0.447 176 K N 0.553 120.885 120.400 -0.112 0.000 3.096 176 K HA -0.176 4.144 4.320 0.000 0.000 0.266 176 K C -0.194 176.352 176.600 -0.089 0.000 1.043 176 K CA 0.299 56.525 56.287 -0.103 0.000 0.758 176 K CB -1.905 30.541 32.500 -0.090 0.000 1.260 176 K HN 0.317 nan 8.250 nan 0.000 0.481 177 L N 0.834 121.955 121.223 -0.169 0.000 2.382 177 L HA 0.033 4.373 4.340 0.000 0.000 0.259 177 L C 1.903 178.625 176.870 -0.248 0.000 1.291 177 L CA 0.248 54.954 54.840 -0.223 0.000 1.176 177 L CB -0.006 41.908 42.059 -0.241 0.000 1.373 177 L HN 0.417 nan 8.230 nan 0.000 0.426 178 G N 1.274 109.969 108.800 -0.176 0.000 2.498 178 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 178 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 178 G C 1.135 175.981 174.900 -0.091 0.000 1.119 178 G CA 0.188 45.212 45.100 -0.127 0.000 0.766 178 G HN 0.505 nan 8.290 nan 0.000 0.552 179 N N -0.463 118.141 118.700 -0.161 0.000 2.383 179 N HA 0.125 4.865 4.740 0.000 0.000 0.192 179 N C -0.049 175.396 175.510 -0.108 0.000 1.141 179 N CA -0.206 52.756 53.050 -0.146 0.000 0.851 179 N CB 0.321 38.541 38.487 -0.444 0.000 0.976 179 N HN 0.274 nan 8.380 nan 0.000 0.465 180 L N 1.295 122.425 121.223 -0.155 0.000 2.260 180 L HA 0.476 4.816 4.340 0.000 0.000 0.289 180 L C -0.828 175.999 176.870 -0.072 0.000 1.057 180 L CA -0.122 54.629 54.840 -0.149 0.000 0.811 180 L CB 0.298 42.220 42.059 -0.228 0.000 1.184 180 L HN -0.030 nan 8.230 nan 0.000 0.429 181 I N 5.786 126.378 120.570 0.036 0.000 2.439 181 I HA 0.538 4.708 4.170 0.000 0.000 0.283 181 I C -0.206 176.092 176.117 0.301 0.000 1.023 181 I CA -0.588 60.823 61.300 0.185 0.000 1.100 181 I CB 1.715 39.867 38.000 0.255 0.000 1.238 181 I HN 0.759 nan 8.210 nan 0.000 0.445 182 A N 7.989 131.007 122.820 0.330 0.000 2.276 182 A HA 0.793 5.114 4.320 0.000 0.000 0.316 182 A C -0.491 177.242 177.584 0.250 0.000 1.229 182 A CA -0.387 51.841 52.037 0.319 0.000 0.851 182 A CB 0.477 19.696 19.000 0.365 0.000 1.165 182 A HN 0.695 nan 8.150 nan 0.000 0.513 183 I N 2.966 123.684 120.570 0.247 0.000 2.355 183 I HA 0.196 4.366 4.170 0.000 0.000 0.288 183 I C -0.975 175.181 176.117 0.066 0.000 0.999 183 I CA -0.568 60.806 61.300 0.123 0.000 1.163 183 I CB 1.289 39.334 38.000 0.076 0.000 1.316 183 I HN 0.731 nan 8.210 nan 0.000 0.454 184 Y N 6.257 126.491 120.300 -0.110 0.000 2.341 184 Y HA 0.275 4.826 4.550 0.000 0.000 0.340 184 Y C -0.049 175.773 175.900 -0.130 0.000 0.997 184 Y CA -1.395 56.632 58.100 -0.122 0.000 1.149 184 Y CB 0.861 39.232 38.460 -0.148 0.000 1.171 184 Y HN 0.493 nan 8.280 nan 0.000 0.494 185 D N 4.751 125.046 120.400 -0.175 0.000 2.455 185 D HA 0.016 4.656 4.640 0.000 0.000 0.234 185 D C -0.839 175.155 176.300 -0.510 0.000 1.224 185 D CA 0.111 53.930 54.000 -0.302 0.000 0.999 185 D CB -0.275 40.444 40.800 -0.135 0.000 1.072 185 D HN 0.589 nan 8.370 nan 0.000 0.514 186 D N 2.469 122.409 120.400 -0.766 0.000 2.558 186 D HA 0.006 4.646 4.640 0.000 0.000 0.221 186 D C 0.397 176.555 176.300 -0.237 0.000 1.143 186 D CA -0.379 53.209 54.000 -0.686 0.000 1.010 186 D CB -0.298 40.049 40.800 -0.755 0.000 1.068 186 D HN 0.292 nan 8.370 nan 0.000 0.511 187 N N 1.587 120.224 118.700 -0.106 0.000 2.235 187 N HA 0.014 4.754 4.740 0.000 0.000 0.209 187 N C 0.187 175.720 175.510 0.039 0.000 1.122 187 N CA -0.397 52.643 53.050 -0.017 0.000 0.845 187 N CB 0.220 38.719 38.487 0.021 0.000 1.004 187 N HN 0.045 nan 8.380 nan 0.000 0.499 188 K N -0.620 119.815 120.400 0.059 0.000 3.130 188 K HA -0.115 4.205 4.320 0.000 0.000 0.282 188 K C -0.981 175.680 176.600 0.102 0.000 1.145 188 K CA 0.759 57.099 56.287 0.090 0.000 0.831 188 K CB -1.180 31.357 32.500 0.062 0.000 1.226 188 K HN 0.402 nan 8.250 nan 0.000 0.478 189 I N 0.478 121.115 120.570 0.112 0.000 2.533 189 I HA 0.313 4.483 4.170 0.000 0.000 0.290 189 I C 0.769 176.940 176.117 0.089 0.000 1.056 189 I CA -0.406 60.959 61.300 0.109 0.000 1.057 189 I CB 1.966 40.050 38.000 0.140 0.000 1.240 189 I HN 0.233 nan 8.210 nan 0.000 0.423 190 T N 2.414 116.981 114.554 0.021 0.000 2.724 190 T HA 0.610 4.960 4.350 0.000 0.000 0.274 190 T C 1.448 176.043 174.700 -0.176 0.000 0.984 190 T CA -0.678 61.374 62.100 -0.080 0.000 1.024 190 T CB 1.396 70.207 68.868 -0.096 0.000 1.320 190 T HN 0.322 nan 8.240 nan 0.000 0.555 191 I N 0.706 121.087 120.570 -0.314 0.000 2.163 191 I HA -0.153 4.017 4.170 0.000 0.000 0.243 191 I C 1.621 177.631 176.117 -0.178 0.000 1.085 191 I CA 1.686 62.822 61.300 -0.275 0.000 1.347 191 I CB -0.433 37.403 38.000 -0.274 0.000 1.044 191 I HN 0.618 nan 8.210 nan 0.000 0.408 192 D N 0.753 121.046 120.400 -0.178 0.000 2.392 192 D HA 0.119 4.759 4.640 0.000 0.000 0.228 192 D C 0.918 177.010 176.300 -0.347 0.000 1.003 192 D CA 0.995 54.871 54.000 -0.206 0.000 0.917 192 D CB 0.010 40.734 40.800 -0.127 0.000 0.890 192 D HN 0.576 nan 8.370 nan 0.000 0.532 193 G N -0.267 108.295 108.800 -0.397 0.000 2.295 193 G HA2 0.130 4.090 3.960 0.000 0.000 0.195 193 G HA3 0.130 4.090 3.960 0.000 0.000 0.195 193 G C -0.643 174.199 174.900 -0.096 0.000 1.269 193 G CA -0.336 44.511 45.100 -0.422 0.000 1.170 193 G HN 0.376 nan 8.290 nan 0.000 0.511 194 A N 0.075 122.880 122.820 -0.026 0.000 2.498 194 A HA 0.532 4.852 4.320 0.000 0.000 0.239 194 A C 1.966 179.575 177.584 0.042 0.000 1.068 194 A CA 1.688 53.744 52.037 0.032 0.000 0.766 194 A CB -0.064 18.959 19.000 0.037 0.000 1.003 194 A HN 2.284 nan 8.150 nan 0.000 0.497 195 T N 0.293 114.900 114.554 0.089 0.000 2.822 195 T HA -0.243 4.108 4.350 0.000 0.000 0.270 195 T C 1.845 176.620 174.700 0.127 0.000 1.064 195 T CA 1.881 64.075 62.100 0.156 0.000 1.131 195 T CB -0.943 68.082 68.868 0.261 0.000 0.858 195 T HN 1.266 nan 8.240 nan 0.000 0.483 196 S N 1.792 117.534 115.700 0.069 0.000 2.402 196 S HA -0.136 4.334 4.470 0.000 0.000 0.233 196 S C 1.841 176.464 174.600 0.037 0.000 1.030 196 S CA 1.007 59.230 58.200 0.039 0.000 1.003 196 S CB -0.876 62.338 63.200 0.023 0.000 0.813 196 S HN 0.370 nan 8.310 nan 0.000 0.477 197 I N 2.232 122.823 120.570 0.035 0.000 2.567 197 I HA -0.055 4.115 4.170 0.000 0.000 0.257 197 I C 1.992 178.130 176.117 0.036 0.000 1.184 197 I CA 1.200 62.514 61.300 0.023 0.000 1.451 197 I CB -0.238 37.762 38.000 0.000 0.000 1.089 197 I HN 0.688 nan 8.210 nan 0.000 0.441 198 S N -2.721 113.022 115.700 0.073 0.000 2.874 198 S HA 0.195 4.665 4.470 0.000 0.000 0.257 198 S C 0.064 174.783 174.600 0.198 0.000 0.975 198 S CA -0.499 57.757 58.200 0.093 0.000 1.326 198 S CB -0.527 62.710 63.200 0.061 0.000 1.215 198 S HN 0.069 nan 8.310 nan 0.000 0.679 199 F N 3.681 123.632 119.950 0.001 0.000 2.872 199 F HA 0.446 4.973 4.527 0.000 0.000 0.363 199 F C -0.969 174.842 175.800 0.020 0.000 1.357 199 F CA -1.290 56.716 58.000 0.010 0.000 1.174 199 F CB 1.057 40.066 39.000 0.016 0.000 1.860 199 F HN 0.185 nan 8.300 nan 0.000 0.615 200 D N 0.725 121.009 120.400 -0.193 0.000 2.501 200 D HA 0.066 4.706 4.640 0.000 0.000 0.224 200 D C 0.198 176.343 176.300 -0.259 0.000 1.202 200 D CA -0.185 53.676 54.000 -0.231 0.000 0.829 200 D CB -0.349 40.399 40.800 -0.087 0.000 1.023 200 D HN 0.626 nan 8.370 nan 0.000 0.499 201 E N 0.153 120.141 120.200 -0.353 0.000 2.422 201 E HA 0.005 4.355 4.350 0.000 0.000 0.260 201 E C -0.317 176.139 176.600 -0.240 0.000 1.108 201 E CA -0.491 55.764 56.400 -0.241 0.000 0.943 201 E CB 0.541 30.133 29.700 -0.180 0.000 0.961 201 E HN -0.151 nan 8.360 nan 0.000 0.443 202 D N 2.761 123.083 120.400 -0.129 0.000 2.435 202 D HA 0.025 4.665 4.640 0.000 0.000 0.230 202 D C 0.709 176.973 176.300 -0.061 0.000 1.215 202 D CA -0.332 53.620 54.000 -0.081 0.000 0.947 202 D CB 0.830 41.606 40.800 -0.040 0.000 1.048 202 D HN 0.382 nan 8.370 nan 0.000 0.512 203 V N 4.212 124.085 119.914 -0.068 0.000 2.287 203 V HA -0.290 3.830 4.120 0.000 0.000 0.248 203 V C 2.551 178.673 176.094 0.047 0.000 1.053 203 V CA 2.156 64.452 62.300 -0.006 0.000 1.027 203 V CB -0.854 30.943 31.823 -0.043 0.000 0.646 203 V HN 0.658 nan 8.190 nan 0.000 0.447 204 A N -0.277 122.557 122.820 0.024 0.000 1.908 204 A HA -0.315 4.005 4.320 0.000 0.000 0.218 204 A C 2.357 179.979 177.584 0.063 0.000 1.181 204 A CA 2.429 54.486 52.037 0.032 0.000 0.627 204 A CB -0.520 18.529 19.000 0.081 0.000 0.818 204 A HN 0.564 nan 8.150 nan 0.000 0.445 205 K N -0.698 119.723 120.400 0.035 0.000 2.057 205 K HA -0.117 4.203 4.320 0.000 0.000 0.206 205 K C 2.334 178.885 176.600 -0.081 0.000 1.050 205 K CA 1.248 57.534 56.287 -0.002 0.000 0.935 205 K CB -0.178 32.316 32.500 -0.010 0.000 0.715 205 K HN 0.429 nan 8.250 nan 0.000 0.439 206 R N -0.650 119.776 120.500 -0.124 0.000 2.083 206 R HA -0.177 4.163 4.340 0.000 0.000 0.237 206 R C 2.036 177.979 176.300 -0.594 0.000 1.137 206 R CA 1.826 57.719 56.100 -0.344 0.000 0.951 206 R CB -0.328 29.828 30.300 -0.239 0.000 0.851 206 R HN 0.249 nan 8.270 nan 0.000 0.434 207 Y N 0.937 121.042 120.300 -0.325 0.000 2.181 207 Y HA -0.165 4.385 4.550 0.000 0.000 0.288 207 Y C 2.177 178.063 175.900 -0.024 0.000 1.146 207 Y CA 1.781 59.751 58.100 -0.218 0.000 1.164 207 Y CB -0.067 38.256 38.460 -0.229 0.000 0.982 207 Y HN 0.216 nan 8.280 nan 0.000 0.515 208 E N -0.475 119.779 120.200 0.091 0.000 2.110 208 E HA -0.223 4.127 4.350 0.000 0.000 0.193 208 E C 2.379 178.997 176.600 0.030 0.000 0.988 208 E CA 0.873 57.334 56.400 0.103 0.000 0.804 208 E CB -0.295 29.453 29.700 0.080 0.000 0.745 208 E HN 0.469 nan 8.360 nan 0.000 0.458 209 A N 0.801 123.554 122.820 -0.111 0.000 1.940 209 A HA -0.189 4.131 4.320 0.000 0.000 0.219 209 A C 1.559 179.109 177.584 -0.056 0.000 1.176 209 A CA 1.236 53.190 52.037 -0.138 0.000 0.631 209 A CB -0.665 18.169 19.000 -0.277 0.000 0.814 209 A HN 0.262 nan 8.150 nan 0.000 0.446 210 Y N -0.838 119.453 120.300 -0.015 0.000 2.583 210 Y HA 0.292 4.842 4.550 0.000 0.000 0.293 210 Y C 1.948 177.964 175.900 0.194 0.000 1.157 210 Y CA 0.096 58.224 58.100 0.047 0.000 1.315 210 Y CB -0.554 37.880 38.460 -0.045 0.000 1.021 210 Y HN 0.473 nan 8.280 nan 0.000 0.536 211 G N -2.372 106.620 108.800 0.320 0.000 2.141 211 G HA2 -0.242 3.718 3.960 0.000 0.000 0.231 211 G HA3 -0.242 3.718 3.960 0.000 0.000 0.231 211 G C -0.298 174.788 174.900 0.310 0.000 0.984 211 G CA -0.434 44.818 45.100 0.253 0.000 0.660 211 G HN 0.181 nan 8.290 nan 0.000 0.525 212 W N 0.914 122.297 121.300 0.139 0.000 2.375 212 W HA 0.638 5.298 4.660 0.000 0.000 0.336 212 W C 0.626 177.222 176.519 0.130 0.000 1.160 212 W CA -0.949 56.492 57.345 0.161 0.000 1.266 212 W CB 0.724 30.356 29.460 0.288 0.000 1.195 212 W HN 0.251 nan 8.180 nan 0.000 0.599 213 E N 1.181 121.578 120.200 0.329 0.000 2.283 213 E HA 0.400 4.751 4.350 0.000 0.000 0.278 213 E C -1.359 175.387 176.600 0.245 0.000 1.027 213 E CA -0.275 56.261 56.400 0.227 0.000 0.843 213 E CB 0.956 30.745 29.700 0.149 0.000 1.062 213 E HN 0.227 nan 8.360 nan 0.000 0.401 214 V N 6.512 126.520 119.914 0.157 0.000 2.378 214 V HA 0.319 4.439 4.120 0.000 0.000 0.288 214 V C -0.046 176.031 176.094 -0.029 0.000 1.016 214 V CA -0.635 61.687 62.300 0.036 0.000 0.840 214 V CB 1.095 32.890 31.823 -0.047 0.000 0.994 214 V HN 0.660 nan 8.190 nan 0.000 0.431 215 L N 4.693 125.879 121.223 -0.062 0.000 2.334 215 L HA 0.655 4.995 4.340 0.000 0.000 0.270 215 L C -1.174 175.629 176.870 -0.111 0.000 1.018 215 L CA -0.821 54.028 54.840 0.015 0.000 0.811 215 L CB 1.760 43.861 42.059 0.070 0.000 1.271 215 L HN 0.485 nan 8.230 nan 0.000 0.443 216 Y N 0.336 120.660 120.300 0.040 0.000 2.409 216 Y HA 0.514 5.065 4.550 0.000 0.000 0.343 216 Y C -0.235 175.668 175.900 0.006 0.000 0.973 216 Y CA -0.902 57.210 58.100 0.020 0.000 1.064 216 Y CB 2.054 40.523 38.460 0.015 0.000 1.207 216 Y HN 0.046 nan 8.280 nan 0.000 0.452 217 V N 4.022 124.012 119.914 0.126 0.000 2.325 217 V HA 0.124 4.244 4.120 0.000 0.000 0.280 217 V C 0.704 176.822 176.094 0.039 0.000 1.016 217 V CA -0.745 61.590 62.300 0.059 0.000 0.818 217 V CB 1.050 32.877 31.823 0.007 0.000 1.019 217 V HN 0.969 nan 8.190 nan 0.000 0.434 218 E N 3.184 123.410 120.200 0.044 0.000 2.110 218 E HA -0.173 4.178 4.350 0.000 0.000 0.193 218 E C 0.768 177.362 176.600 -0.009 0.000 0.988 218 E CA 0.944 57.355 56.400 0.019 0.000 0.804 218 E CB 0.185 29.892 29.700 0.011 0.000 0.745 218 E HN 0.523 nan 8.360 nan 0.000 0.458 219 N N 0.548 119.236 118.700 -0.020 0.000 2.898 219 N HA 0.140 4.881 4.740 0.000 0.000 0.245 219 N C 0.321 175.783 175.510 -0.080 0.000 1.185 219 N CA 0.079 53.103 53.050 -0.044 0.000 0.879 219 N CB 1.124 39.591 38.487 -0.034 0.000 1.157 219 N HN 0.221 nan 8.380 nan 0.000 0.503 220 G N 1.715 110.456 108.800 -0.099 0.000 2.484 220 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 220 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 220 G C 1.339 176.118 174.900 -0.202 0.000 1.130 220 G CA 0.158 45.176 45.100 -0.137 0.000 0.784 220 G HN 0.433 nan 8.290 nan 0.000 0.543 221 N N 1.209 119.765 118.700 -0.241 0.000 2.188 221 N HA -0.060 4.680 4.740 0.000 0.000 0.184 221 N C 1.905 177.148 175.510 -0.445 0.000 1.018 221 N CA 1.590 54.365 53.050 -0.458 0.000 0.858 221 N CB -0.044 38.124 38.487 -0.532 0.000 0.989 221 N HN 0.781 nan 8.380 nan 0.000 0.426 222 E N -1.276 118.769 120.200 -0.258 0.000 2.702 222 E HA 0.060 4.410 4.350 0.000 0.000 0.225 222 E C -0.750 175.766 176.600 -0.140 0.000 0.942 222 E CA -0.208 56.071 56.400 -0.201 0.000 1.210 222 E CB -0.063 29.559 29.700 -0.130 0.000 1.143 222 E HN -0.130 nan 8.360 nan 0.000 0.544 223 D N 2.059 122.389 120.400 -0.116 0.000 2.563 223 D HA 0.176 4.816 4.640 0.000 0.000 0.222 223 D C 1.043 177.286 176.300 -0.095 0.000 1.145 223 D CA -0.185 53.769 54.000 -0.076 0.000 1.001 223 D CB 0.344 41.120 40.800 -0.041 0.000 1.049 223 D HN 0.194 nan 8.370 nan 0.000 0.515 224 L N 1.770 122.903 121.223 -0.150 0.000 2.012 224 L HA -0.165 4.175 4.340 0.000 0.000 0.210 224 L C 2.458 179.278 176.870 -0.083 0.000 1.073 224 L CA 1.332 55.997 54.840 -0.292 0.000 0.748 224 L CB -0.483 41.212 42.059 -0.606 0.000 0.891 224 L HN 0.331 nan 8.230 nan 0.000 0.431 225 A N 0.486 123.377 122.820 0.119 0.000 1.902 225 A HA -0.125 4.195 4.320 0.000 0.000 0.217 225 A C 2.425 180.087 177.584 0.129 0.000 1.181 225 A CA 1.777 53.951 52.037 0.229 0.000 0.623 225 A CB -1.265 17.841 19.000 0.176 0.000 0.818 225 A HN 0.452 nan 8.150 nan 0.000 0.443 226 G N 0.003 108.842 108.800 0.066 0.000 2.418 226 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 226 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 226 G C 1.525 176.452 174.900 0.045 0.000 1.158 226 G CA 1.080 46.209 45.100 0.049 0.000 0.771 226 G HN 0.482 nan 8.290 nan 0.000 0.545 227 I N 1.406 121.988 120.570 0.020 0.000 2.163 227 I HA -0.212 3.958 4.170 0.000 0.000 0.243 227 I C 3.315 179.468 176.117 0.059 0.000 1.085 227 I CA 1.112 62.420 61.300 0.014 0.000 1.347 227 I CB -0.285 37.690 38.000 -0.041 0.000 1.044 227 I HN 0.247 nan 8.210 nan 0.000 0.408 228 A N 0.377 123.267 122.820 0.116 0.000 1.933 228 A HA -0.216 4.104 4.320 0.000 0.000 0.218 228 A C 2.378 180.027 177.584 0.108 0.000 1.175 228 A CA 1.473 53.611 52.037 0.168 0.000 0.628 228 A CB -0.439 18.764 19.000 0.338 0.000 0.814 228 A HN 0.222 nan 8.150 nan 0.000 0.444 229 K N -0.269 120.190 120.400 0.099 0.000 2.009 229 K HA -0.164 4.157 4.320 0.000 0.000 0.210 229 K C 2.312 178.952 176.600 0.066 0.000 1.049 229 K CA 1.490 57.822 56.287 0.074 0.000 0.929 229 K CB -0.575 31.967 32.500 0.069 0.000 0.714 229 K HN 0.435 nan 8.250 nan 0.000 0.440 230 A N 1.175 124.035 122.820 0.067 0.000 1.902 230 A HA -0.149 4.171 4.320 0.000 0.000 0.217 230 A C 2.246 179.871 177.584 0.069 0.000 1.181 230 A CA 1.423 53.500 52.037 0.068 0.000 0.623 230 A CB -0.510 18.528 19.000 0.063 0.000 0.818 230 A HN 0.273 nan 8.150 nan 0.000 0.443 231 I N -0.575 120.034 120.570 0.065 0.000 2.286 231 I HA -0.211 3.959 4.170 0.000 0.000 0.245 231 I C 2.812 178.951 176.117 0.037 0.000 1.104 231 I CA 1.030 62.369 61.300 0.064 0.000 1.397 231 I CB -0.213 37.813 38.000 0.042 0.000 1.072 231 I HN 0.350 nan 8.210 nan 0.000 0.417 232 A N -0.045 122.793 122.820 0.032 0.000 2.119 232 A HA -0.197 4.123 4.320 0.000 0.000 0.216 232 A C 2.175 179.774 177.584 0.025 0.000 1.152 232 A CA 1.174 53.218 52.037 0.012 0.000 0.708 232 A CB -0.407 18.604 19.000 0.017 0.000 0.805 232 A HN 0.452 nan 8.150 nan 0.000 0.460 233 Q N 0.211 120.036 119.800 0.042 0.000 2.119 233 Q HA -0.017 4.323 4.340 0.000 0.000 0.201 233 Q C 1.922 177.954 176.000 0.052 0.000 0.972 233 Q CA 1.936 57.769 55.803 0.049 0.000 0.847 233 Q CB -0.509 28.264 28.738 0.059 0.000 0.903 233 Q HN 0.508 nan 8.270 nan 0.000 0.433 234 A N 0.582 123.436 122.820 0.056 0.000 1.972 234 A HA -0.184 4.136 4.320 0.000 0.000 0.219 234 A C 1.908 179.522 177.584 0.050 0.000 1.169 234 A CA 1.632 53.707 52.037 0.064 0.000 0.635 234 A CB -0.393 18.659 19.000 0.088 0.000 0.810 234 A HN 0.411 nan 8.150 nan 0.000 0.446 235 K N -0.459 119.947 120.400 0.009 0.000 2.283 235 K HA 0.096 4.416 4.320 0.000 0.000 0.202 235 K C 1.566 178.214 176.600 0.080 0.000 1.048 235 K CA 0.739 57.033 56.287 0.012 0.000 0.948 235 K CB -0.211 32.219 32.500 -0.118 0.000 0.742 235 K HN 0.472 nan 8.250 nan 0.000 0.458 236 L N 0.815 122.072 121.223 0.057 0.000 2.179 236 L HA -0.049 4.292 4.340 0.000 0.000 0.208 236 L C 0.781 177.683 176.870 0.053 0.000 1.096 236 L CA 0.377 55.250 54.840 0.056 0.000 0.779 236 L CB -0.160 41.926 42.059 0.046 0.000 0.922 236 L HN 0.053 nan 8.230 nan 0.000 0.443 237 S N 0.138 115.869 115.700 0.051 0.000 3.517 237 S HA 0.091 4.562 4.470 0.000 0.000 0.284 237 S C 0.831 175.446 174.600 0.026 0.000 1.260 237 S CA -0.452 57.771 58.200 0.038 0.000 0.975 237 S CB 0.161 63.385 63.200 0.040 0.000 1.540 237 S HN 0.230 nan 8.310 nan 0.000 0.506 238 K N 1.616 122.030 120.400 0.023 0.000 2.283 238 K HA -0.100 4.220 4.320 0.000 0.000 0.202 238 K C 1.171 177.761 176.600 -0.016 0.000 1.048 238 K CA 1.326 57.618 56.287 0.009 0.000 0.948 238 K CB -0.065 32.443 32.500 0.013 0.000 0.742 238 K HN 0.735 nan 8.250 nan 0.000 0.458 239 D N 0.312 120.702 120.400 -0.016 0.000 2.349 239 D HA -0.002 4.638 4.640 0.000 0.000 0.214 239 D C -0.017 176.252 176.300 -0.052 0.000 1.063 239 D CA 0.193 54.176 54.000 -0.029 0.000 0.847 239 D CB 0.288 41.075 40.800 -0.023 0.000 0.933 239 D HN -0.067 nan 8.370 nan 0.000 0.513 240 K N 1.526 121.889 120.400 -0.061 0.000 2.443 240 K HA 0.360 4.680 4.320 0.000 0.000 0.252 240 K C -2.759 173.723 176.600 -0.198 0.000 0.933 240 K CA -2.075 54.156 56.287 -0.094 0.000 0.792 240 K CB 2.901 35.392 32.500 -0.014 0.000 1.185 240 K HN -0.096 nan 8.250 nan 0.000 0.425 241 P HA -0.030 nan 4.420 nan 0.000 0.268 241 P C -0.730 176.364 177.300 -0.344 0.000 1.208 241 P CA -0.046 62.643 63.100 -0.684 0.000 0.777 241 P CB 0.598 31.359 31.700 -1.564 0.000 0.875 242 T N 2.499 117.005 114.554 -0.080 0.000 2.824 242 T HA 0.428 4.779 4.350 0.000 0.000 0.282 242 T C -0.407 174.565 174.700 0.455 0.000 0.993 242 T CA -0.386 61.856 62.100 0.237 0.000 0.967 242 T CB 0.870 69.822 68.868 0.141 0.000 0.960 242 T HN 0.254 nan 8.240 nan 0.000 0.441 243 L N 4.797 126.304 121.223 0.473 0.000 2.280 243 L HA 0.603 4.943 4.340 0.000 0.000 0.287 243 L C -0.932 175.979 176.870 0.069 0.000 1.023 243 L CA -0.439 54.533 54.840 0.220 0.000 0.819 243 L CB 0.310 42.294 42.059 -0.124 0.000 1.212 243 L HN 0.634 nan 8.230 nan 0.000 0.420 244 I N 5.430 126.040 120.570 0.068 0.000 2.301 244 I HA 0.248 4.418 4.170 0.000 0.000 0.292 244 I C 0.118 176.217 176.117 -0.030 0.000 1.046 244 I CA -0.416 60.891 61.300 0.011 0.000 1.282 244 I CB 0.776 38.808 38.000 0.054 0.000 1.409 244 I HN 0.584 nan 8.210 nan 0.000 0.484 245 K N 8.534 128.864 120.400 -0.117 0.000 2.284 245 K HA 0.412 4.732 4.320 0.000 0.000 0.287 245 K C -0.710 175.820 176.600 -0.118 0.000 1.081 245 K CA -0.398 55.828 56.287 -0.102 0.000 0.910 245 K CB 0.748 33.146 32.500 -0.169 0.000 1.088 245 K HN 0.603 nan 8.250 nan 0.000 0.478 246 M N 4.408 123.899 119.600 -0.181 0.000 2.181 246 M HA 0.227 4.708 4.480 0.000 0.000 0.323 246 M C -1.119 175.063 176.300 -0.197 0.000 1.004 246 M CA -0.338 54.871 55.300 -0.151 0.000 0.941 246 M CB 1.700 34.210 32.600 -0.150 0.000 1.579 246 M HN 0.473 nan 8.290 nan 0.000 0.427 247 T N 3.814 118.295 114.554 -0.122 0.000 2.794 247 T HA 0.449 4.800 4.350 0.000 0.000 0.296 247 T C 0.125 174.765 174.700 -0.099 0.000 0.949 247 T CA -0.234 61.800 62.100 -0.109 0.000 1.101 247 T CB 0.457 69.295 68.868 -0.050 0.000 0.905 247 T HN 0.786 nan 8.240 nan 0.000 0.516 248 T N -0.208 114.289 114.554 -0.095 0.000 2.865 248 T HA 0.593 4.943 4.350 0.000 0.000 0.294 248 T C -0.530 174.166 174.700 -0.007 0.000 1.119 248 T CA -0.893 61.164 62.100 -0.072 0.000 1.007 248 T CB 1.683 70.492 68.868 -0.098 0.000 1.225 248 T HN 0.286 nan 8.240 nan 0.000 0.515 249 T N 2.025 116.612 114.554 0.056 0.000 2.749 249 T HA 0.449 4.799 4.350 0.000 0.000 0.287 249 T C 0.299 175.069 174.700 0.116 0.000 0.970 249 T CA -0.516 61.650 62.100 0.111 0.000 0.980 249 T CB 0.320 69.308 68.868 0.201 0.000 0.924 249 T HN 0.703 nan 8.240 nan 0.000 0.456 250 I N 3.022 123.650 120.570 0.097 0.000 2.683 250 I HA 0.291 4.461 4.170 0.000 0.000 0.286 250 I C 1.188 177.374 176.117 0.115 0.000 1.175 250 I CA 1.174 62.538 61.300 0.107 0.000 1.429 250 I CB 0.053 38.126 38.000 0.123 0.000 1.371 250 I HN 0.965 nan 8.210 nan 0.000 0.569 251 G N 5.041 113.912 108.800 0.117 0.000 2.198 251 G HA2 -0.359 3.601 3.960 0.000 0.000 0.260 251 G HA3 -0.359 3.601 3.960 0.000 0.000 0.260 251 G C 0.151 175.127 174.900 0.127 0.000 1.025 251 G CA 0.235 45.399 45.100 0.107 0.000 0.769 251 G HN 0.875 nan 8.290 nan 0.000 0.507 252 Y N 0.166 120.490 120.300 0.040 0.000 2.996 252 Y HA 0.202 4.753 4.550 0.000 0.000 0.347 252 Y C 1.702 177.667 175.900 0.108 0.000 1.276 252 Y CA 2.058 60.192 58.100 0.057 0.000 1.601 252 Y CB 0.137 38.624 38.460 0.045 0.000 1.193 252 Y HN 1.443 nan 8.280 nan 0.000 0.582 253 G N 2.916 111.420 108.800 -0.493 0.000 2.258 253 G HA2 -0.304 3.656 3.960 0.000 0.000 0.233 253 G HA3 -0.304 3.656 3.960 0.000 0.000 0.233 253 G C 0.364 175.082 174.900 -0.303 0.000 1.006 253 G CA 0.152 45.022 45.100 -0.384 0.000 0.620 253 G HN 1.008 nan 8.290 nan 0.000 0.511 254 S N 0.371 115.968 115.700 -0.173 0.000 2.562 254 S HA 0.473 4.943 4.470 0.000 0.000 0.281 254 S C 2.050 176.530 174.600 -0.202 0.000 1.333 254 S CA 0.137 58.252 58.200 -0.142 0.000 1.052 254 S CB 0.543 63.720 63.200 -0.038 0.000 0.884 254 S HN 0.528 nan 8.310 nan 0.000 0.506 255 L N 3.250 124.321 121.223 -0.254 0.000 2.137 255 L HA -0.165 4.176 4.340 0.000 0.000 0.213 255 L C 0.914 177.446 176.870 -0.562 0.000 1.085 255 L CA 1.542 56.135 54.840 -0.411 0.000 0.760 255 L CB -0.596 41.156 42.059 -0.511 0.000 0.893 255 L HN 0.787 nan 8.230 nan 0.000 0.434 256 H N -1.221 117.809 119.070 -0.067 0.000 2.472 256 H HA 0.429 4.985 4.556 0.000 0.000 0.287 256 H C 0.566 175.871 175.328 -0.038 0.000 1.112 256 H CA -0.226 55.790 56.048 -0.053 0.000 1.021 256 H CB 0.056 29.784 29.762 -0.056 0.000 1.635 256 H HN 0.178 nan 8.280 nan 0.000 0.559 257 A N 0.746 123.559 122.820 -0.012 0.000 2.548 257 A HA 0.403 4.723 4.320 0.000 0.000 0.247 257 A C 1.644 179.249 177.584 0.034 0.000 1.067 257 A CA 0.894 52.934 52.037 0.006 0.000 0.757 257 A CB -0.536 18.427 19.000 -0.060 0.000 0.996 257 A HN 0.787 nan 8.150 nan 0.000 0.504 258 G N 1.053 109.893 108.800 0.065 0.000 2.234 258 G HA2 -0.167 3.793 3.960 0.000 0.000 0.235 258 G HA3 -0.167 3.793 3.960 0.000 0.000 0.235 258 G C 0.675 175.626 174.900 0.085 0.000 0.997 258 G CA 0.719 45.862 45.100 0.071 0.000 0.623 258 G HN 2.019 nan 8.290 nan 0.000 0.514 259 S N 0.481 116.226 115.700 0.075 0.000 2.585 259 S HA 0.520 4.990 4.470 0.000 0.000 0.277 259 S C 1.773 176.411 174.600 0.063 0.000 1.241 259 S CA 0.497 58.730 58.200 0.054 0.000 1.041 259 S CB 0.599 63.787 63.200 -0.021 0.000 0.987 259 S HN 0.698 nan 8.310 nan 0.000 0.512 260 H N 2.647 121.758 119.070 0.068 0.000 2.521 260 H HA -0.017 4.539 4.556 0.000 0.000 0.286 260 H C 1.869 177.250 175.328 0.089 0.000 1.034 260 H CA 1.400 57.497 56.048 0.082 0.000 1.278 260 H CB -0.965 28.821 29.762 0.040 0.000 1.386 260 H HN 0.656 nan 8.280 nan 0.000 0.567 261 S N 1.677 117.161 115.700 -0.361 0.000 2.400 261 S HA -0.154 4.316 4.470 0.000 0.000 0.232 261 S C 2.168 176.739 174.600 -0.047 0.000 1.025 261 S CA 1.373 59.453 58.200 -0.200 0.000 0.993 261 S CB -1.195 61.837 63.200 -0.279 0.000 0.808 261 S HN 0.439 nan 8.310 nan 0.000 0.478 262 V N -0.453 119.464 119.914 0.006 0.000 3.510 262 V HA 0.112 4.232 4.120 0.000 0.000 0.270 262 V C 2.127 178.271 176.094 0.083 0.000 1.201 262 V CA 1.408 63.736 62.300 0.046 0.000 1.166 262 V CB -1.610 30.253 31.823 0.067 0.000 0.825 262 V HN 0.589 nan 8.190 nan 0.000 0.484 263 H N 2.377 121.492 119.070 0.074 0.000 2.293 263 H HA 0.126 4.682 4.556 0.000 0.000 0.300 263 H C 1.672 177.093 175.328 0.155 0.000 1.082 263 H CA 2.254 58.375 56.048 0.122 0.000 1.308 263 H CB -0.172 29.659 29.762 0.114 0.000 1.375 263 H HN 0.553 nan 8.280 nan 0.000 0.495 264 G N -1.288 107.514 108.800 0.003 0.000 5.077 264 G HA2 0.596 4.556 3.960 0.000 0.000 0.230 264 G HA3 0.596 4.556 3.960 0.000 0.000 0.230 264 G C -1.135 173.648 174.900 -0.196 0.000 0.924 264 G CA 0.238 45.228 45.100 -0.183 0.000 0.770 264 G HN 0.616 nan 8.290 nan 0.000 0.512 265 A N 0.900 123.653 122.820 -0.112 0.000 2.520 265 A HA 0.920 5.240 4.320 0.000 0.000 0.298 265 A C -2.945 174.611 177.584 -0.047 0.000 1.051 265 A CA -1.355 50.633 52.037 -0.081 0.000 0.690 265 A CB 2.062 21.034 19.000 -0.047 0.000 1.281 265 A HN 0.051 nan 8.150 nan 0.000 0.402 266 P HA 0.107 nan 4.420 nan 0.000 0.266 266 P C -0.277 177.020 177.300 -0.005 0.000 1.193 266 P CA 0.343 63.444 63.100 0.001 0.000 0.770 266 P CB 0.398 32.108 31.700 0.016 0.000 0.836 267 L N 1.660 122.885 121.223 0.003 0.000 2.452 267 L HA 0.141 4.481 4.340 0.000 0.000 0.267 267 L C 1.281 178.154 176.870 0.005 0.000 1.188 267 L CA -0.324 54.520 54.840 0.007 0.000 0.821 267 L CB -0.095 41.967 42.059 0.005 0.000 1.102 267 L HN 0.307 nan 8.230 nan 0.000 0.470 268 K N 0.980 121.389 120.400 0.015 0.000 2.382 268 K HA 0.137 4.457 4.320 0.000 0.000 0.275 268 K C 0.791 177.394 176.600 0.005 0.000 1.009 268 K CA 0.560 56.853 56.287 0.010 0.000 0.970 268 K CB 1.227 33.742 32.500 0.026 0.000 0.934 268 K HN 0.616 nan 8.250 nan 0.000 0.479 269 A N 3.150 125.971 122.820 0.003 0.000 1.917 269 A HA -0.261 4.059 4.320 0.000 0.000 0.219 269 A C 1.507 179.085 177.584 -0.010 0.000 1.182 269 A CA 2.242 54.278 52.037 -0.001 0.000 0.633 269 A CB -0.751 18.251 19.000 0.004 0.000 0.819 269 A HN 0.956 nan 8.150 nan 0.000 0.448 270 D N -0.318 120.077 120.400 -0.008 0.000 2.149 270 D HA -0.231 4.409 4.640 0.000 0.000 0.198 270 D C 1.414 177.694 176.300 -0.033 0.000 0.990 270 D CA 1.609 55.598 54.000 -0.017 0.000 0.839 270 D CB -0.614 40.181 40.800 -0.009 0.000 0.948 270 D HN 0.421 nan 8.370 nan 0.000 0.460 271 D N 0.821 121.207 120.400 -0.022 0.000 2.097 271 D HA -0.121 4.519 4.640 0.000 0.000 0.197 271 D C 2.313 178.569 176.300 -0.073 0.000 0.984 271 D CA 0.798 54.772 54.000 -0.044 0.000 0.826 271 D CB -0.068 40.739 40.800 0.011 0.000 0.973 271 D HN 0.092 nan 8.370 nan 0.000 0.460 272 V N 0.769 120.651 119.914 -0.053 0.000 2.392 272 V HA -0.227 3.893 4.120 0.000 0.000 0.249 272 V C 2.508 178.555 176.094 -0.078 0.000 1.059 272 V CA 1.681 63.941 62.300 -0.067 0.000 1.051 272 V CB -0.395 31.401 31.823 -0.045 0.000 0.658 272 V HN 0.211 nan 8.190 nan 0.000 0.455 273 K N 0.317 120.681 120.400 -0.059 0.000 2.025 273 K HA -0.232 4.089 4.320 0.000 0.000 0.207 273 K C 2.281 178.832 176.600 -0.082 0.000 1.049 273 K CA 1.691 57.946 56.287 -0.053 0.000 0.933 273 K CB -0.226 32.253 32.500 -0.034 0.000 0.714 273 K HN 0.660 nan 8.250 nan 0.000 0.438 274 Q N 1.301 121.038 119.800 -0.106 0.000 2.226 274 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 274 Q C 1.893 177.752 176.000 -0.235 0.000 0.975 274 Q CA 1.278 56.995 55.803 -0.143 0.000 0.866 274 Q CB -0.520 28.135 28.738 -0.139 0.000 0.915 274 Q HN 0.241 nan 8.270 nan 0.000 0.440 275 L N 0.377 121.434 121.223 -0.277 0.000 1.994 275 L HA -0.128 4.212 4.340 0.000 0.000 0.208 275 L C 2.029 178.607 176.870 -0.487 0.000 1.071 275 L CA 1.979 56.537 54.840 -0.470 0.000 0.745 275 L CB -0.356 41.507 42.059 -0.327 0.000 0.892 275 L HN 0.131 nan 8.230 nan 0.000 0.431 276 K N -0.783 119.483 120.400 -0.223 0.000 2.032 276 K HA -0.148 4.172 4.320 0.000 0.000 0.209 276 K C 2.110 178.712 176.600 0.003 0.000 1.048 276 K CA 1.771 58.016 56.287 -0.071 0.000 0.927 276 K CB -0.329 32.172 32.500 0.003 0.000 0.712 276 K HN 0.345 nan 8.250 nan 0.000 0.441 277 S N 1.150 116.819 115.700 -0.052 0.000 2.356 277 S HA -0.168 4.302 4.470 0.000 0.000 0.223 277 S C 1.881 176.465 174.600 -0.026 0.000 1.032 277 S CA 1.229 59.418 58.200 -0.018 0.000 1.005 277 S CB -0.152 63.022 63.200 -0.044 0.000 0.867 277 S HN 0.304 nan 8.310 nan 0.000 0.449 278 K N 0.337 120.649 120.400 -0.146 0.000 2.044 278 K HA -0.138 4.182 4.320 0.000 0.000 0.210 278 K C 1.022 177.645 176.600 0.039 0.000 1.049 278 K CA 1.466 57.652 56.287 -0.168 0.000 0.927 278 K CB -0.258 31.977 32.500 -0.442 0.000 0.713 278 K HN 0.289 nan 8.250 nan 0.000 0.443 279 F N 0.296 120.252 119.950 0.011 0.000 2.804 279 F HA 0.217 4.744 4.527 0.000 0.000 0.303 279 F C 1.427 177.354 175.800 0.212 0.000 1.154 279 F CA 0.525 58.553 58.000 0.045 0.000 1.401 279 F CB -0.170 38.775 39.000 -0.093 0.000 1.106 279 F HN 0.395 nan 8.300 nan 0.000 0.568 280 G N -0.319 108.690 108.800 0.348 0.000 2.137 280 G HA2 -0.280 3.680 3.960 0.000 0.000 0.237 280 G HA3 -0.280 3.680 3.960 0.000 0.000 0.237 280 G C -0.120 174.952 174.900 0.288 0.000 1.002 280 G CA -0.441 44.821 45.100 0.270 0.000 0.702 280 G HN 0.139 nan 8.290 nan 0.000 0.515 281 F N 0.086 120.061 119.950 0.042 0.000 2.507 281 F HA 0.599 5.126 4.527 0.000 0.000 0.327 281 F C 0.435 176.237 175.800 0.004 0.000 1.068 281 F CA -2.220 55.794 58.000 0.023 0.000 0.965 281 F CB 1.306 40.326 39.000 0.033 0.000 1.192 281 F HN 0.014 nan 8.300 nan 0.000 0.476 282 N N 4.208 122.982 118.700 0.123 0.000 2.452 282 N HA 0.115 4.855 4.740 0.000 0.000 0.266 282 N C -1.789 173.773 175.510 0.087 0.000 1.175 282 N CA -1.671 51.421 53.050 0.070 0.000 0.945 282 N CB 1.134 39.639 38.487 0.030 0.000 1.063 282 N HN 0.205 nan 8.380 nan 0.000 0.472 283 P HA -0.036 nan 4.420 nan 0.000 0.226 283 P C -0.093 177.225 177.300 0.030 0.000 1.153 283 P CA 0.991 64.110 63.100 0.032 0.000 0.777 283 P CB 0.478 32.182 31.700 0.007 0.000 0.794 284 D N -0.370 120.050 120.400 0.034 0.000 2.339 284 D HA 0.076 4.716 4.640 0.000 0.000 0.217 284 D C 0.544 176.873 176.300 0.049 0.000 1.050 284 D CA 0.515 54.535 54.000 0.034 0.000 0.856 284 D CB 0.561 41.377 40.800 0.027 0.000 0.922 284 D HN 0.302 nan 8.370 nan 0.000 0.518 285 K N 0.044 120.482 120.400 0.063 0.000 2.267 285 K HA 0.488 4.808 4.320 0.000 0.000 0.246 285 K C -0.605 176.052 176.600 0.095 0.000 0.954 285 K CA -0.448 55.888 56.287 0.081 0.000 0.824 285 K CB 2.414 34.961 32.500 0.077 0.000 1.167 285 K HN -0.245 nan 8.250 nan 0.000 0.431 286 S N 0.975 116.752 115.700 0.128 0.000 2.570 286 S HA 0.475 4.945 4.470 0.000 0.000 0.286 286 S C -0.988 173.770 174.600 0.263 0.000 1.099 286 S CA -0.693 57.588 58.200 0.135 0.000 0.913 286 S CB 0.424 63.767 63.200 0.239 0.000 1.085 286 S HN 0.648 nan 8.310 nan 0.000 0.480 287 F N 0.314 120.296 119.950 0.053 0.000 3.027 287 F HA -0.163 4.364 4.527 0.000 0.000 0.276 287 F C 0.041 175.887 175.800 0.077 0.000 0.967 287 F CA -0.046 57.982 58.000 0.046 0.000 0.929 287 F CB -1.711 37.301 39.000 0.019 0.000 0.873 287 F HN 0.208 nan 8.300 nan 0.000 0.787 288 V N 1.310 121.337 119.914 0.189 0.000 2.364 288 V HA 0.414 4.534 4.120 0.000 0.000 0.272 288 V C 0.295 176.501 176.094 0.187 0.000 1.036 288 V CA -0.770 61.645 62.300 0.191 0.000 0.880 288 V CB 1.521 33.458 31.823 0.190 0.000 0.991 288 V HN 0.054 nan 8.190 nan 0.000 0.460 289 V N 7.402 127.400 119.914 0.140 0.000 2.334 289 V HA 0.336 4.456 4.120 0.000 0.000 0.281 289 V C -2.146 173.946 176.094 -0.004 0.000 1.016 289 V CA -1.979 60.329 62.300 0.013 0.000 0.832 289 V CB 1.245 32.940 31.823 -0.214 0.000 0.999 289 V HN 0.741 nan 8.190 nan 0.000 0.439 290 P HA 0.010 nan 4.420 nan 0.000 0.262 290 P C 0.705 178.001 177.300 -0.006 0.000 1.182 290 P CA 0.171 63.244 63.100 -0.045 0.000 0.761 290 P CB 0.673 32.321 31.700 -0.087 0.000 0.795 291 Q N 3.091 122.931 119.800 0.066 0.000 2.112 291 Q HA -0.253 4.087 4.340 0.000 0.000 0.206 291 Q C 1.361 177.424 176.000 0.106 0.000 0.987 291 Q CA 2.044 57.937 55.803 0.150 0.000 0.858 291 Q CB -0.481 28.325 28.738 0.112 0.000 0.905 291 Q HN 0.451 nan 8.270 nan 0.000 0.420 292 E N -0.944 119.275 120.200 0.032 0.000 2.130 292 E HA -0.178 4.173 4.350 0.000 0.000 0.196 292 E C 1.921 178.519 176.600 -0.004 0.000 0.998 292 E CA 1.490 57.895 56.400 0.008 0.000 0.806 292 E CB -0.327 29.348 29.700 -0.040 0.000 0.738 292 E HN 0.211 nan 8.360 nan 0.000 0.459 293 V N 0.093 119.974 119.914 -0.055 0.000 2.270 293 V HA -0.263 3.858 4.120 0.000 0.000 0.245 293 V C 1.751 177.822 176.094 -0.038 0.000 1.043 293 V CA 1.774 64.000 62.300 -0.123 0.000 1.014 293 V CB -0.646 31.077 31.823 -0.168 0.000 0.645 293 V HN 0.235 nan 8.190 nan 0.000 0.447 294 Y N 1.200 121.545 120.300 0.076 0.000 2.114 294 Y HA -0.262 4.288 4.550 0.000 0.000 0.282 294 Y C 2.517 178.465 175.900 0.081 0.000 1.165 294 Y CA 1.640 59.800 58.100 0.099 0.000 1.148 294 Y CB -0.915 37.590 38.460 0.076 0.000 0.972 294 Y HN 0.353 nan 8.280 nan 0.000 0.504 295 D N -1.661 118.873 120.400 0.224 0.000 2.149 295 D HA -0.202 4.438 4.640 0.000 0.000 0.198 295 D C 2.014 178.388 176.300 0.123 0.000 0.990 295 D CA 1.834 55.919 54.000 0.142 0.000 0.839 295 D CB -0.597 40.267 40.800 0.106 0.000 0.948 295 D HN 0.440 nan 8.370 nan 0.000 0.460 296 H N -0.544 118.517 119.070 -0.014 0.000 2.326 296 H HA -0.121 4.435 4.556 0.000 0.000 0.301 296 H C 1.510 176.833 175.328 -0.008 0.000 1.081 296 H CA 1.459 57.465 56.048 -0.070 0.000 1.334 296 H CB -0.277 29.362 29.762 -0.206 0.000 1.385 296 H HN 0.098 nan 8.280 nan 0.000 0.504 297 Y N 0.067 120.387 120.300 0.033 0.000 2.439 297 Y HA -0.078 4.472 4.550 0.000 0.000 0.292 297 Y C 2.652 178.550 175.900 -0.003 0.000 1.130 297 Y CA 1.057 59.152 58.100 -0.008 0.000 1.254 297 Y CB -0.526 37.983 38.460 0.082 0.000 1.000 297 Y HN 0.310 nan 8.280 nan 0.000 0.554 298 Q N 0.937 120.839 119.800 0.169 0.000 2.020 298 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 298 Q C 2.336 178.361 176.000 0.042 0.000 0.982 298 Q CA 2.058 57.916 55.803 0.091 0.000 0.838 298 Q CB -0.185 28.604 28.738 0.084 0.000 0.899 298 Q HN 0.348 nan 8.270 nan 0.000 0.423 299 K N -1.125 119.285 120.400 0.017 0.000 2.057 299 K HA -0.118 4.202 4.320 0.000 0.000 0.207 299 K C 1.847 178.430 176.600 -0.029 0.000 1.049 299 K CA 1.782 58.065 56.287 -0.008 0.000 0.931 299 K CB -0.118 32.377 32.500 -0.008 0.000 0.714 299 K HN 0.511 nan 8.250 nan 0.000 0.440 300 T N -2.038 112.470 114.554 -0.076 0.000 3.044 300 T HA 0.135 4.485 4.350 0.000 0.000 0.255 300 T C 1.850 176.563 174.700 0.022 0.000 1.073 300 T CA 0.340 62.407 62.100 -0.055 0.000 1.125 300 T CB 0.081 68.846 68.868 -0.172 0.000 0.908 300 T HN 0.131 nan 8.240 nan 0.000 0.480 301 I N -0.557 120.052 120.570 0.064 0.000 3.345 301 I HA 0.317 4.487 4.170 0.000 0.000 0.258 301 I C 2.196 178.338 176.117 0.042 0.000 1.134 301 I CA -0.019 61.324 61.300 0.071 0.000 1.457 301 I CB -0.038 38.028 38.000 0.109 0.000 1.425 301 I HN 0.082 nan 8.210 nan 0.000 0.461 302 L N 1.357 122.602 121.223 0.036 0.000 2.023 302 L HA -0.131 4.209 4.340 0.000 0.000 0.205 302 L C 2.558 179.417 176.870 -0.017 0.000 1.073 302 L CA 1.728 56.564 54.840 -0.007 0.000 0.745 302 L CB -0.164 41.888 42.059 -0.012 0.000 0.900 302 L HN 0.076 nan 8.230 nan 0.000 0.435 303 K N -0.281 120.115 120.400 -0.007 0.000 2.026 303 K HA -0.150 4.171 4.320 0.000 0.000 0.208 303 K C -0.420 176.171 176.600 -0.015 0.000 1.048 303 K CA 1.835 58.113 56.287 -0.015 0.000 0.929 303 K CB -1.148 31.349 32.500 -0.006 0.000 0.713 303 K HN 0.314 nan 8.250 nan 0.000 0.439 304 P HA -0.198 nan 4.420 nan 0.000 0.215 304 P C 1.274 178.578 177.300 0.006 0.000 1.157 304 P CA 1.837 64.944 63.100 0.011 0.000 0.874 304 P CB -0.208 31.509 31.700 0.027 0.000 0.790 305 G N -0.584 108.221 108.800 0.008 0.000 2.418 305 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 305 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 305 G C 1.646 176.467 174.900 -0.131 0.000 1.158 305 G CA 0.730 45.829 45.100 -0.002 0.000 0.771 305 G HN 0.162 nan 8.290 nan 0.000 0.545 306 V N 0.689 120.530 119.914 -0.121 0.000 2.343 306 V HA -0.176 3.944 4.120 0.000 0.000 0.247 306 V C 2.694 178.692 176.094 -0.160 0.000 1.051 306 V CA 2.227 64.431 62.300 -0.160 0.000 1.036 306 V CB -0.478 31.284 31.823 -0.103 0.000 0.654 306 V HN 0.477 nan 8.190 nan 0.000 0.451 307 E N 0.228 120.370 120.200 -0.097 0.000 2.051 307 E HA -0.209 4.141 4.350 0.000 0.000 0.192 307 E C 2.356 178.910 176.600 -0.075 0.000 0.991 307 E CA 1.329 57.689 56.400 -0.066 0.000 0.799 307 E CB -0.360 29.325 29.700 -0.024 0.000 0.748 307 E HN 0.599 nan 8.360 nan 0.000 0.449 308 A N 1.877 124.651 122.820 -0.077 0.000 1.883 308 A HA -0.261 4.059 4.320 0.000 0.000 0.217 308 A C 2.030 179.483 177.584 -0.218 0.000 1.186 308 A CA 1.787 53.809 52.037 -0.025 0.000 0.624 308 A CB -0.656 18.411 19.000 0.111 0.000 0.822 308 A HN 0.161 nan 8.150 nan 0.000 0.444 309 N N 0.287 118.555 118.700 -0.720 0.000 2.166 309 N HA -0.175 4.565 4.740 0.000 0.000 0.186 309 N C 1.562 176.864 175.510 -0.346 0.000 1.019 309 N CA 1.761 54.158 53.050 -1.088 0.000 0.856 309 N CB -0.569 37.182 38.487 -1.226 0.000 0.993 309 N HN 0.565 nan 8.380 nan 0.000 0.426 310 N N 0.264 118.846 118.700 -0.198 0.000 2.142 310 N HA -0.068 4.672 4.740 0.000 0.000 0.186 310 N C 1.408 176.928 175.510 0.015 0.000 1.023 310 N CA 1.240 54.252 53.050 -0.063 0.000 0.852 310 N CB -0.004 38.446 38.487 -0.062 0.000 0.998 310 N HN 0.055 nan 8.380 nan 0.000 0.424 311 K N -0.662 119.755 120.400 0.029 0.000 2.063 311 K HA -0.110 4.210 4.320 0.000 0.000 0.208 311 K C 1.629 178.304 176.600 0.124 0.000 1.048 311 K CA 1.237 57.567 56.287 0.072 0.000 0.928 311 K CB -0.528 32.024 32.500 0.087 0.000 0.713 311 K HN 0.364 nan 8.250 nan 0.000 0.442 312 W N 1.677 123.011 121.300 0.056 0.000 2.355 312 W HA -0.191 4.469 4.660 0.000 0.000 0.309 312 W C 1.437 178.053 176.519 0.162 0.000 1.206 312 W CA 1.933 59.375 57.345 0.163 0.000 1.284 312 W CB -0.416 29.242 29.460 0.330 0.000 1.145 312 W HN 0.110 nan 8.180 nan 0.000 0.502 313 N N 0.111 118.997 118.700 0.310 0.000 2.104 313 N HA -0.250 4.490 4.740 0.000 0.000 0.190 313 N C 1.867 177.406 175.510 0.048 0.000 1.024 313 N CA 1.553 54.720 53.050 0.194 0.000 0.853 313 N CB -0.331 38.276 38.487 0.200 0.000 1.008 313 N HN -0.122 nan 8.380 nan 0.000 0.424 314 K N 1.213 121.634 120.400 0.036 0.000 2.032 314 K HA -0.106 4.214 4.320 0.000 0.000 0.209 314 K C 1.927 178.541 176.600 0.023 0.000 1.048 314 K CA 0.984 57.284 56.287 0.022 0.000 0.927 314 K CB -0.741 31.775 32.500 0.028 0.000 0.712 314 K HN 0.142 nan 8.250 nan 0.000 0.441 315 L N 0.527 121.753 121.223 0.006 0.000 2.012 315 L HA -0.167 4.173 4.340 0.000 0.000 0.210 315 L C 2.283 179.219 176.870 0.111 0.000 1.073 315 L CA 1.700 56.577 54.840 0.061 0.000 0.748 315 L CB -0.775 41.263 42.059 -0.034 0.000 0.891 315 L HN 0.161 nan 8.230 nan 0.000 0.431 316 F N -0.087 119.656 119.950 -0.344 0.000 2.186 316 F HA -0.142 4.385 4.527 0.000 0.000 0.299 316 F C 2.676 178.421 175.800 -0.092 0.000 1.090 316 F CA 1.278 59.059 58.000 -0.364 0.000 1.307 316 F CB -0.807 37.748 39.000 -0.742 0.000 1.019 316 F HN 0.345 nan 8.300 nan 0.000 0.489 317 S N -0.710 114.876 115.700 -0.189 0.000 2.414 317 S HA -0.096 4.374 4.470 0.000 0.000 0.227 317 S C 1.764 176.298 174.600 -0.110 0.000 1.022 317 S CA 0.709 58.762 58.200 -0.244 0.000 0.958 317 S CB -0.502 62.613 63.200 -0.141 0.000 0.797 317 S HN 0.356 nan 8.310 nan 0.000 0.493 318 E N 1.134 121.346 120.200 0.020 0.000 2.085 318 E HA -0.147 4.203 4.350 0.000 0.000 0.194 318 E C 1.690 178.307 176.600 0.027 0.000 0.994 318 E CA 1.290 57.748 56.400 0.097 0.000 0.801 318 E CB -0.597 29.278 29.700 0.291 0.000 0.743 318 E HN 0.794 nan 8.360 nan 0.000 0.453 319 Y N 2.011 122.226 120.300 -0.142 0.000 2.165 319 Y HA -0.246 4.304 4.550 0.000 0.000 0.286 319 Y C 2.268 178.045 175.900 -0.204 0.000 1.155 319 Y CA 2.072 59.931 58.100 -0.401 0.000 1.164 319 Y CB -0.117 38.228 38.460 -0.191 0.000 0.978 319 Y HN 0.059 nan 8.280 nan 0.000 0.513 320 Q N -0.058 119.699 119.800 -0.071 0.000 2.226 320 Q HA -0.181 4.159 4.340 0.000 0.000 0.204 320 Q C 2.047 177.950 176.000 -0.162 0.000 0.975 320 Q CA 1.599 57.316 55.803 -0.143 0.000 0.866 320 Q CB -0.064 28.505 28.738 -0.282 0.000 0.915 320 Q HN 0.487 nan 8.270 nan 0.000 0.440 321 K N 0.379 120.681 120.400 -0.163 0.000 2.007 321 K HA -0.064 4.256 4.320 0.000 0.000 0.206 321 K C 2.074 178.536 176.600 -0.230 0.000 1.047 321 K CA 0.703 56.898 56.287 -0.154 0.000 0.937 321 K CB 0.091 32.526 32.500 -0.107 0.000 0.718 321 K HN -0.086 nan 8.250 nan 0.000 0.438 322 K N 0.114 120.318 120.400 -0.327 0.000 2.097 322 K HA -0.050 4.270 4.320 0.000 0.000 0.206 322 K C 0.089 176.148 176.600 -0.901 0.000 1.049 322 K CA 1.153 57.083 56.287 -0.596 0.000 0.933 322 K CB 0.152 32.233 32.500 -0.700 0.000 0.717 322 K HN 0.061 nan 8.250 nan 0.000 0.442 323 F N 0.463 120.111 119.950 -0.503 0.000 2.550 323 F HA 0.258 4.785 4.527 0.000 0.000 0.348 323 F C -1.844 173.775 175.800 -0.301 0.000 1.219 323 F CA -2.202 55.523 58.000 -0.458 0.000 1.203 323 F CB 1.502 40.036 39.000 -0.777 0.000 1.436 323 F HN -0.073 nan 8.300 nan 0.000 0.541 324 P HA -0.181 nan 4.420 nan 0.000 0.215 324 P C 1.220 178.522 177.300 0.003 0.000 1.157 324 P CA 1.597 64.663 63.100 -0.058 0.000 0.874 324 P CB 0.428 32.086 31.700 -0.069 0.000 0.790 325 E N -0.790 119.425 120.200 0.025 0.000 2.028 325 E HA -0.120 4.230 4.350 0.000 0.000 0.191 325 E C 1.937 178.607 176.600 0.117 0.000 0.988 325 E CA 0.866 57.300 56.400 0.057 0.000 0.799 325 E CB -1.364 28.366 29.700 0.050 0.000 0.755 325 E HN 0.045 nan 8.360 nan 0.000 0.447 326 L N 0.367 121.686 121.223 0.159 0.000 2.083 326 L HA -0.036 4.304 4.340 0.000 0.000 0.209 326 L C 2.140 179.257 176.870 0.411 0.000 1.083 326 L CA 2.007 57.029 54.840 0.304 0.000 0.752 326 L CB -1.055 41.167 42.059 0.273 0.000 0.899 326 L HN 0.269 nan 8.230 nan 0.000 0.433 327 G N -1.737 107.260 108.800 0.327 0.000 2.403 327 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 327 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 327 G C 1.659 176.685 174.900 0.209 0.000 1.154 327 G CA 0.677 46.005 45.100 0.381 0.000 0.784 327 G HN 0.503 nan 8.290 nan 0.000 0.538 328 A N 0.708 123.600 122.820 0.120 0.000 1.898 328 A HA 0.017 4.337 4.320 0.000 0.000 0.216 328 A C 2.104 179.748 177.584 0.099 0.000 1.181 328 A CA 1.948 54.034 52.037 0.082 0.000 0.620 328 A CB -0.441 18.588 19.000 0.048 0.000 0.819 328 A HN 0.461 nan 8.150 nan 0.000 0.442 329 E N -0.589 119.685 120.200 0.122 0.000 2.038 329 E HA -0.226 4.124 4.350 0.000 0.000 0.195 329 E C 1.908 178.536 176.600 0.047 0.000 1.000 329 E CA 1.561 58.028 56.400 0.111 0.000 0.803 329 E CB -0.222 29.596 29.700 0.196 0.000 0.750 329 E HN 0.420 nan 8.360 nan 0.000 0.448 330 L N 0.713 121.925 121.223 -0.017 0.000 2.093 330 L HA -0.025 4.315 4.340 0.000 0.000 0.208 330 L C 2.220 179.095 176.870 0.008 0.000 1.085 330 L CA 2.022 56.709 54.840 -0.255 0.000 0.755 330 L CB -0.699 41.029 42.059 -0.552 0.000 0.904 330 L HN 0.205 nan 8.230 nan 0.000 0.435 331 A N -0.291 122.676 122.820 0.245 0.000 1.908 331 A HA -0.270 4.050 4.320 0.000 0.000 0.218 331 A C 2.559 180.211 177.584 0.114 0.000 1.181 331 A CA 1.908 54.105 52.037 0.266 0.000 0.627 331 A CB -0.682 18.442 19.000 0.207 0.000 0.818 331 A HN 0.510 nan 8.150 nan 0.000 0.445 332 R N -0.476 120.064 120.500 0.067 0.000 2.081 332 R HA -0.127 4.213 4.340 0.000 0.000 0.235 332 R C 2.402 178.704 176.300 0.004 0.000 1.131 332 R CA 1.579 57.700 56.100 0.034 0.000 0.960 332 R CB -0.265 30.052 30.300 0.028 0.000 0.856 332 R HN 0.539 nan 8.270 nan 0.000 0.436 333 R N 0.231 120.713 120.500 -0.029 0.000 2.073 333 R HA -0.082 4.258 4.340 0.000 0.000 0.234 333 R C 2.368 178.632 176.300 -0.061 0.000 1.134 333 R CA 1.467 57.524 56.100 -0.071 0.000 0.952 333 R CB -0.363 29.856 30.300 -0.134 0.000 0.850 333 R HN 0.268 nan 8.270 nan 0.000 0.433 334 L N 0.918 122.110 121.223 -0.051 0.000 2.362 334 L HA -0.093 4.247 4.340 0.000 0.000 0.219 334 L C 2.050 178.926 176.870 0.010 0.000 1.134 334 L CA 0.977 55.798 54.840 -0.031 0.000 0.807 334 L CB -0.278 41.773 42.059 -0.012 0.000 0.927 334 L HN 0.262 nan 8.230 nan 0.000 0.447 335 S N -1.055 114.660 115.700 0.025 0.000 2.605 335 S HA 0.180 4.650 4.470 0.000 0.000 0.217 335 S C 1.481 176.094 174.600 0.021 0.000 0.958 335 S CA 0.258 58.478 58.200 0.033 0.000 0.919 335 S CB 0.367 63.593 63.200 0.044 0.000 0.780 335 S HN 0.498 nan 8.310 nan 0.000 0.507 336 G N 0.280 109.083 108.800 0.005 0.000 2.155 336 G HA2 -0.275 3.685 3.960 0.000 0.000 0.257 336 G HA3 -0.275 3.685 3.960 0.000 0.000 0.257 336 G C -0.193 174.704 174.900 -0.005 0.000 0.983 336 G CA 0.316 45.417 45.100 0.002 0.000 0.676 336 G HN 0.625 nan 8.290 nan 0.000 0.528 337 Q N -0.543 119.254 119.800 -0.004 0.000 2.293 337 Q HA 0.679 5.019 4.340 0.000 0.000 0.261 337 Q C 0.276 176.259 176.000 -0.027 0.000 0.960 337 Q CA -0.882 54.921 55.803 0.000 0.000 0.882 337 Q CB 1.233 29.985 28.738 0.022 0.000 1.275 337 Q HN 0.158 nan 8.270 nan 0.000 0.445 338 L N 4.141 125.336 121.223 -0.046 0.000 2.453 338 L HA 0.397 4.737 4.340 0.000 0.000 0.261 338 L C -2.022 174.844 176.870 -0.006 0.000 1.179 338 L CA -2.103 52.659 54.840 -0.130 0.000 0.813 338 L CB -0.223 41.634 42.059 -0.337 0.000 1.110 338 L HN 0.557 nan 8.230 nan 0.000 0.466 339 P HA 0.073 nan 4.420 nan 0.000 0.262 339 P C -0.852 176.567 177.300 0.198 0.000 1.182 339 P CA -0.201 62.959 63.100 0.099 0.000 0.761 339 P CB 0.330 32.085 31.700 0.092 0.000 0.795 340 A N 4.046 126.944 122.820 0.130 0.000 2.565 340 A HA -0.008 4.312 4.320 0.000 0.000 0.237 340 A C 0.989 178.631 177.584 0.097 0.000 1.053 340 A CA 0.098 52.203 52.037 0.114 0.000 0.755 340 A CB -0.765 18.272 19.000 0.062 0.000 0.980 340 A HN 0.748 nan 8.150 nan 0.000 0.506 341 N N 0.653 119.386 118.700 0.056 0.000 2.693 341 N HA -0.220 4.520 4.740 0.000 0.000 0.249 341 N C 0.819 176.297 175.510 -0.053 0.000 1.119 341 N CA 1.417 54.446 53.050 -0.036 0.000 0.717 341 N CB -1.435 37.033 38.487 -0.032 0.000 1.071 341 N HN 1.021 nan 8.380 nan 0.000 0.555 342 W N 2.111 123.396 121.300 -0.025 0.000 2.321 342 W HA -0.206 4.454 4.660 0.000 0.000 0.306 342 W C 1.482 177.979 176.519 -0.037 0.000 1.217 342 W CA 1.615 58.939 57.345 -0.036 0.000 1.257 342 W CB -0.751 28.689 29.460 -0.034 0.000 1.145 342 W HN 0.278 nan 8.180 nan 0.000 0.509 343 E N 2.227 121.595 120.200 -1.386 0.000 2.396 343 E HA -0.221 4.129 4.350 0.000 0.000 0.200 343 E C 1.922 178.214 176.600 -0.515 0.000 1.023 343 E CA 1.814 57.495 56.400 -1.199 0.000 0.857 343 E CB -1.026 27.986 29.700 -1.147 0.000 0.775 343 E HN 0.427 nan 8.360 nan 0.000 0.525 344 S N 0.864 116.366 115.700 -0.331 0.000 2.442 344 S HA -0.136 4.334 4.470 0.000 0.000 0.236 344 S C 1.879 176.388 174.600 -0.152 0.000 1.007 344 S CA 1.166 59.250 58.200 -0.193 0.000 0.965 344 S CB -0.268 62.856 63.200 -0.127 0.000 0.773 344 S HN 0.264 nan 8.310 nan 0.000 0.504 345 K N 0.318 120.633 120.400 -0.143 0.000 2.444 345 K HA 0.303 4.623 4.320 0.000 0.000 0.193 345 K C -0.090 176.458 176.600 -0.086 0.000 1.024 345 K CA -0.183 56.053 56.287 -0.085 0.000 1.077 345 K CB -0.127 32.354 32.500 -0.032 0.000 0.833 345 K HN 0.403 nan 8.250 nan 0.000 0.517 346 L N 2.680 123.821 121.223 -0.136 0.000 2.380 346 L HA 0.229 4.569 4.340 0.000 0.000 0.273 346 L C -2.143 174.676 176.870 -0.086 0.000 1.138 346 L CA -2.176 52.606 54.840 -0.096 0.000 0.832 346 L CB 0.620 42.600 42.059 -0.132 0.000 1.124 346 L HN -0.009 nan 8.230 nan 0.000 0.454 347 P HA 0.162 nan 4.420 nan 0.000 0.276 347 P C -0.777 176.424 177.300 -0.165 0.000 1.230 347 P CA -0.360 62.656 63.100 -0.141 0.000 0.776 347 P CB 0.926 32.585 31.700 -0.069 0.000 0.888 348 T N 0.123 114.482 114.554 -0.325 0.000 2.924 348 T HA 0.722 5.072 4.350 0.000 0.000 0.291 348 T C -0.953 173.496 174.700 -0.418 0.000 1.045 348 T CA -0.579 61.399 62.100 -0.204 0.000 1.015 348 T CB 0.900 69.708 68.868 -0.101 0.000 1.103 348 T HN 0.188 nan 8.240 nan 0.000 0.496 349 Y N -0.313 119.989 120.300 0.004 0.000 2.638 349 Y HA 0.739 5.289 4.550 0.000 0.000 0.339 349 Y C 0.671 176.580 175.900 0.014 0.000 1.084 349 Y CA -0.866 57.241 58.100 0.012 0.000 1.068 349 Y CB 2.309 40.781 38.460 0.020 0.000 1.294 349 Y HN 1.102 nan 8.280 nan 0.000 0.480 350 T N -2.865 111.799 114.554 0.182 0.000 2.838 350 T HA 0.661 5.011 4.350 0.000 0.000 0.292 350 T C 0.623 175.383 174.700 0.101 0.000 1.113 350 T CA -0.337 61.827 62.100 0.107 0.000 1.008 350 T CB 1.509 70.415 68.868 0.064 0.000 1.259 350 T HN 0.746 nan 8.240 nan 0.000 0.520 351 A N 0.774 123.637 122.820 0.071 0.000 1.972 351 A HA -0.031 4.289 4.320 0.000 0.000 0.219 351 A C 2.058 179.672 177.584 0.049 0.000 1.169 351 A CA 1.594 53.665 52.037 0.057 0.000 0.635 351 A CB -0.926 18.102 19.000 0.046 0.000 0.810 351 A HN 0.923 nan 8.150 nan 0.000 0.446 352 K N -0.049 120.381 120.400 0.049 0.000 2.439 352 K HA 0.008 4.328 4.320 0.000 0.000 0.197 352 K C -0.532 176.101 176.600 0.055 0.000 1.041 352 K CA 0.484 56.797 56.287 0.044 0.000 0.970 352 K CB -0.199 32.322 32.500 0.035 0.000 0.773 352 K HN 0.321 nan 8.250 nan 0.000 0.479 353 D N 2.487 122.936 120.400 0.082 0.000 2.360 353 D HA 0.014 4.654 4.640 0.000 0.000 0.242 353 D C 0.167 176.510 176.300 0.071 0.000 1.184 353 D CA 0.124 54.186 54.000 0.104 0.000 0.930 353 D CB 1.219 42.145 40.800 0.210 0.000 1.161 353 D HN 0.227 nan 8.370 nan 0.000 0.447 354 S N -0.387 115.350 115.700 0.061 0.000 2.600 354 S HA 0.416 4.886 4.470 0.000 0.000 0.265 354 S C 0.113 174.716 174.600 0.004 0.000 1.325 354 S CA -1.050 57.169 58.200 0.031 0.000 1.002 354 S CB 0.946 64.164 63.200 0.031 0.000 0.921 354 S HN 0.538 nan 8.310 nan 0.000 0.554 355 A N 1.181 123.998 122.820 -0.005 0.000 2.522 355 A HA 0.519 4.839 4.320 0.000 0.000 0.256 355 A C -0.160 177.408 177.584 -0.026 0.000 1.086 355 A CA -0.466 51.557 52.037 -0.022 0.000 0.763 355 A CB -0.743 18.245 19.000 -0.019 0.000 1.024 355 A HN 0.880 nan 8.150 nan 0.000 0.502 356 V N 1.902 121.788 119.914 -0.047 0.000 2.841 356 V HA 0.650 4.771 4.120 0.000 0.000 0.310 356 V C 0.588 176.658 176.094 -0.039 0.000 1.090 356 V CA -0.598 61.677 62.300 -0.041 0.000 0.930 356 V CB 1.405 33.189 31.823 -0.065 0.000 1.014 356 V HN 1.272 nan 8.190 nan 0.000 0.425 357 A N 1.938 124.747 122.820 -0.020 0.000 2.498 357 A HA 0.404 4.724 4.320 0.000 0.000 0.239 357 A C 1.481 179.062 177.584 -0.005 0.000 1.068 357 A CA 0.585 52.614 52.037 -0.014 0.000 0.766 357 A CB 0.202 19.199 19.000 -0.005 0.000 1.003 357 A HN 1.337 nan 8.150 nan 0.000 0.497 358 T N 0.012 114.567 114.554 0.002 0.000 3.051 358 T HA -0.150 4.200 4.350 0.000 0.000 0.269 358 T C 1.655 176.393 174.700 0.062 0.000 1.127 358 T CA 1.218 63.330 62.100 0.020 0.000 1.107 358 T CB -0.290 68.595 68.868 0.029 0.000 0.898 358 T HN 0.747 nan 8.240 nan 0.000 0.517 359 R N 1.423 121.967 120.500 0.073 0.000 2.073 359 R HA -0.110 4.230 4.340 0.000 0.000 0.234 359 R C 2.419 178.783 176.300 0.106 0.000 1.134 359 R CA 1.717 57.885 56.100 0.114 0.000 0.952 359 R CB -0.273 30.106 30.300 0.132 0.000 0.850 359 R HN 0.342 nan 8.270 nan 0.000 0.433 360 K N 0.936 121.381 120.400 0.075 0.000 2.148 360 K HA -0.053 4.267 4.320 0.000 0.000 0.204 360 K C 2.028 178.669 176.600 0.068 0.000 1.050 360 K CA 1.295 57.623 56.287 0.069 0.000 0.942 360 K CB -0.327 32.203 32.500 0.050 0.000 0.724 360 K HN 0.291 nan 8.250 nan 0.000 0.446 361 L N 0.344 121.596 121.223 0.049 0.000 2.083 361 L HA -0.140 4.200 4.340 0.000 0.000 0.209 361 L C 2.538 179.473 176.870 0.109 0.000 1.083 361 L CA 1.532 56.402 54.840 0.050 0.000 0.752 361 L CB -0.660 41.380 42.059 -0.030 0.000 0.899 361 L HN 0.320 nan 8.230 nan 0.000 0.433 362 S N -0.312 115.473 115.700 0.142 0.000 2.368 362 S HA -0.257 4.213 4.470 0.000 0.000 0.224 362 S C 1.957 176.610 174.600 0.089 0.000 1.029 362 S CA 1.591 59.918 58.200 0.213 0.000 0.988 362 S CB -0.179 63.191 63.200 0.284 0.000 0.838 362 S HN 0.473 nan 8.310 nan 0.000 0.462 363 E N -0.096 120.164 120.200 0.099 0.000 2.070 363 E HA -0.180 4.170 4.350 0.000 0.000 0.197 363 E C 1.874 178.516 176.600 0.070 0.000 1.004 363 E CA 1.857 58.310 56.400 0.089 0.000 0.805 363 E CB -0.490 29.267 29.700 0.093 0.000 0.744 363 E HN 0.595 nan 8.360 nan 0.000 0.451 364 T N 0.405 115.003 114.554 0.073 0.000 2.759 364 T HA -0.130 4.220 4.350 0.000 0.000 0.269 364 T C 1.884 176.605 174.700 0.036 0.000 1.042 364 T CA 1.238 63.382 62.100 0.074 0.000 1.140 364 T CB -0.144 68.795 68.868 0.118 0.000 0.864 364 T HN 0.038 nan 8.240 nan 0.000 0.455 365 V N 1.278 121.184 119.914 -0.012 0.000 2.307 365 V HA -0.092 4.028 4.120 0.000 0.000 0.245 365 V C 2.444 178.431 176.094 -0.178 0.000 1.045 365 V CA 1.448 63.679 62.300 -0.116 0.000 1.024 365 V CB -0.575 31.079 31.823 -0.282 0.000 0.651 365 V HN 0.439 nan 8.190 nan 0.000 0.449 366 L N -0.512 120.596 121.223 -0.192 0.000 2.046 366 L HA -0.198 4.142 4.340 0.000 0.000 0.208 366 L C 2.517 179.400 176.870 0.020 0.000 1.077 366 L CA 1.710 56.492 54.840 -0.095 0.000 0.747 366 L CB -0.581 41.507 42.059 0.048 0.000 0.896 366 L HN 0.336 nan 8.230 nan 0.000 0.432 367 E N 0.014 120.266 120.200 0.086 0.000 2.110 367 E HA -0.217 4.133 4.350 0.000 0.000 0.193 367 E C 1.612 178.251 176.600 0.065 0.000 0.988 367 E CA 1.294 57.755 56.400 0.103 0.000 0.804 367 E CB 0.104 29.868 29.700 0.106 0.000 0.745 367 E HN 0.402 nan 8.360 nan 0.000 0.458 368 D N -0.867 119.546 120.400 0.023 0.000 2.277 368 D HA -0.101 4.539 4.640 0.000 0.000 0.208 368 D C 1.749 178.038 176.300 -0.020 0.000 0.962 368 D CA 0.847 54.851 54.000 0.006 0.000 0.865 368 D CB 0.423 41.221 40.800 -0.005 0.000 0.939 368 D HN 0.238 nan 8.370 nan 0.000 0.510 369 V N -1.367 118.521 119.914 -0.044 0.000 3.621 369 V HA 0.060 4.180 4.120 0.000 0.000 0.263 369 V C 2.145 178.135 176.094 -0.174 0.000 1.272 369 V CA -0.070 62.200 62.300 -0.050 0.000 1.080 369 V CB -0.907 30.939 31.823 0.037 0.000 0.816 369 V HN 0.124 nan 8.190 nan 0.000 0.451 370 Y N 2.364 122.424 120.300 -0.400 0.000 2.132 370 Y HA -0.303 4.247 4.550 0.000 0.000 0.280 370 Y C 2.142 177.782 175.900 -0.433 0.000 1.193 370 Y CA 2.557 60.242 58.100 -0.691 0.000 1.157 370 Y CB -0.888 36.718 38.460 -1.424 0.000 0.966 370 Y HN 0.362 nan 8.280 nan 0.000 0.511 371 N N -0.502 117.484 118.700 -1.189 0.000 2.463 371 N HA -0.133 4.607 4.740 0.000 0.000 0.181 371 N C 1.514 176.758 175.510 -0.443 0.000 1.078 371 N CA 0.622 53.059 53.050 -1.023 0.000 0.902 371 N CB -0.005 38.004 38.487 -0.797 0.000 0.970 371 N HN 0.486 nan 8.380 nan 0.000 0.451 372 Q N 0.582 120.206 119.800 -0.294 0.000 2.163 372 Q HA 0.119 4.459 4.340 0.000 0.000 0.198 372 Q C 0.149 176.073 176.000 -0.127 0.000 0.954 372 Q CA 0.928 56.652 55.803 -0.131 0.000 0.851 372 Q CB 0.323 29.044 28.738 -0.028 0.000 0.928 372 Q HN 0.243 nan 8.270 nan 0.000 0.459 373 L N 2.679 123.791 121.223 -0.186 0.000 2.426 373 L HA 0.346 4.686 4.340 0.000 0.000 0.255 373 L C -1.763 175.019 176.870 -0.145 0.000 1.080 373 L CA -1.413 53.325 54.840 -0.171 0.000 0.960 373 L CB 1.168 43.103 42.059 -0.207 0.000 1.326 373 L HN 0.069 nan 8.230 nan 0.000 0.441 374 P HA -0.203 nan 4.420 nan 0.000 0.223 374 P C 0.909 178.209 177.300 -0.000 0.000 1.144 374 P CA 1.193 64.268 63.100 -0.041 0.000 0.783 374 P CB 0.257 31.956 31.700 -0.001 0.000 0.771 375 E N -0.410 119.761 120.200 -0.049 0.000 2.435 375 E HA -0.049 4.301 4.350 0.000 0.000 0.195 375 E C 0.758 177.402 176.600 0.074 0.000 1.029 375 E CA -0.127 56.228 56.400 -0.075 0.000 0.865 375 E CB -0.645 28.969 29.700 -0.144 0.000 0.833 375 E HN 0.234 nan 8.360 nan 0.000 0.510 376 L N 2.101 123.374 121.223 0.083 0.000 2.369 376 L HA 0.273 4.613 4.340 0.000 0.000 0.279 376 L C -0.341 176.718 176.870 0.315 0.000 1.108 376 L CA -0.038 54.914 54.840 0.187 0.000 0.852 376 L CB 0.575 42.715 42.059 0.135 0.000 1.169 376 L HN 0.124 nan 8.230 nan 0.000 0.452 377 I N 5.238 125.963 120.570 0.259 0.000 2.439 377 I HA 0.679 4.849 4.170 0.000 0.000 0.285 377 I C 0.201 176.212 176.117 -0.177 0.000 1.021 377 I CA -0.215 61.169 61.300 0.141 0.000 1.091 377 I CB 1.129 39.151 38.000 0.037 0.000 1.242 377 I HN 0.666 nan 8.210 nan 0.000 0.439 378 G N 4.028 112.619 108.800 -0.349 0.000 2.601 378 G HA2 0.861 4.821 3.960 0.000 0.000 0.317 378 G HA3 0.861 4.821 3.960 0.000 0.000 0.317 378 G C -0.633 173.656 174.900 -1.018 0.000 1.246 378 G CA -0.509 43.861 45.100 -1.218 0.000 1.012 378 G HN 0.970 nan 8.290 nan 0.000 0.494 379 G N -1.962 106.267 108.800 -0.952 0.000 2.466 379 G HA2 0.536 4.496 3.960 0.000 0.000 0.291 379 G HA3 0.536 4.496 3.960 0.000 0.000 0.291 379 G C -1.534 173.215 174.900 -0.253 0.000 1.460 379 G CA 0.240 44.874 45.100 -0.775 0.000 0.791 379 G HN 1.124 nan 8.290 nan 0.000 0.505 380 S N -1.416 114.232 115.700 -0.087 0.000 2.540 380 S HA 0.686 5.156 4.470 0.000 0.000 0.275 380 S C 0.075 174.708 174.600 0.055 0.000 1.123 380 S CA 0.333 58.558 58.200 0.043 0.000 0.907 380 S CB 1.563 64.840 63.200 0.129 0.000 1.081 380 S HN 1.934 nan 8.310 nan 0.000 0.476 381 A N 3.232 126.042 122.820 -0.016 0.000 3.091 381 A HA 0.453 4.773 4.320 0.000 0.000 0.264 381 A C 0.473 178.016 177.584 -0.068 0.000 1.673 381 A CA 0.279 52.300 52.037 -0.027 0.000 1.362 381 A CB -1.391 17.567 19.000 -0.070 0.000 1.137 381 A HN 1.139 nan 8.150 nan 0.000 0.617 382 D N -0.733 119.645 120.400 -0.038 0.000 2.945 382 D HA -0.170 4.470 4.640 0.000 0.000 0.225 382 D C 0.032 176.278 176.300 -0.090 0.000 1.158 382 D CA 1.345 55.311 54.000 -0.058 0.000 0.805 382 D CB -1.410 39.343 40.800 -0.078 0.000 1.098 382 D HN 0.492 nan 8.370 nan 0.000 0.426 383 L N -0.459 120.711 121.223 -0.089 0.000 3.289 383 L HA 0.227 4.567 4.340 0.000 0.000 0.291 383 L C 1.834 178.697 176.870 -0.012 0.000 1.279 383 L CA 0.036 54.800 54.840 -0.127 0.000 1.025 383 L CB 0.375 42.238 42.059 -0.327 0.000 1.413 383 L HN 0.003 nan 8.230 nan 0.000 0.593 384 T N 1.217 115.797 114.554 0.043 0.000 2.649 384 T HA -0.143 4.207 4.350 0.000 0.000 0.268 384 T C -0.510 174.222 174.700 0.053 0.000 1.036 384 T CA 1.964 64.114 62.100 0.084 0.000 1.157 384 T CB -0.832 68.080 68.868 0.074 0.000 0.861 384 T HN 0.325 nan 8.240 nan 0.000 0.445 385 P HA 0.085 nan 4.420 nan 0.000 0.221 385 P C 1.213 178.572 177.300 0.099 0.000 1.150 385 P CA 1.021 64.150 63.100 0.049 0.000 0.800 385 P CB 0.041 31.762 31.700 0.036 0.000 0.787 386 S N -0.550 115.225 115.700 0.124 0.000 2.492 386 S HA 0.092 4.562 4.470 0.000 0.000 0.218 386 S C 1.603 176.366 174.600 0.273 0.000 1.016 386 S CA 0.271 58.609 58.200 0.230 0.000 0.916 386 S CB -0.513 62.851 63.200 0.274 0.000 0.791 386 S HN 0.328 nan 8.310 nan 0.000 0.513 387 N N 1.387 120.200 118.700 0.188 0.000 2.405 387 N HA 0.273 5.013 4.740 0.000 0.000 0.175 387 N C -0.164 175.463 175.510 0.195 0.000 1.051 387 N CA 0.089 53.267 53.050 0.212 0.000 0.899 387 N CB -0.006 38.589 38.487 0.181 0.000 1.000 387 N HN 0.106 nan 8.380 nan 0.000 0.451 388 L N 0.856 122.171 121.223 0.153 0.000 3.839 388 L HA -0.243 4.097 4.340 0.000 0.000 0.416 388 L C 1.037 177.992 176.870 0.142 0.000 1.195 388 L CA 0.420 55.332 54.840 0.121 0.000 0.946 388 L CB -2.475 39.655 42.059 0.118 0.000 1.891 388 L HN 0.406 nan 8.230 nan 0.000 0.963 389 T N -4.174 110.498 114.554 0.196 0.000 3.055 389 T HA -0.036 4.314 4.350 0.000 0.000 0.265 389 T C 1.108 175.975 174.700 0.278 0.000 1.111 389 T CA 0.298 62.601 62.100 0.339 0.000 1.118 389 T CB 0.074 69.247 68.868 0.508 0.000 0.909 389 T HN 0.173 nan 8.240 nan 0.000 0.501 390 R N 2.033 122.484 120.500 -0.082 0.000 2.196 390 R HA 0.282 4.622 4.340 0.000 0.000 0.340 390 R C -0.763 175.374 176.300 -0.271 0.000 1.043 390 R CA -1.096 54.671 56.100 -0.555 0.000 0.883 390 R CB -0.009 29.836 30.300 -0.758 0.000 1.078 390 R HN 0.631 nan 8.270 nan 0.000 0.462 391 W N 4.063 125.246 121.300 -0.195 0.000 2.190 391 W HA 0.248 4.908 4.660 0.000 0.000 0.330 391 W C 0.999 177.362 176.519 -0.259 0.000 1.299 391 W CA -0.905 56.309 57.345 -0.217 0.000 1.215 391 W CB 0.385 29.648 29.460 -0.327 0.000 1.147 391 W HN 0.320 nan 8.180 nan 0.000 0.563 392 K N 1.450 121.843 120.400 -0.011 0.000 2.217 392 K HA -0.180 4.140 4.320 0.000 0.000 0.202 392 K C 1.709 178.281 176.600 -0.047 0.000 1.051 392 K CA 1.575 57.822 56.287 -0.067 0.000 0.952 392 K CB -0.305 32.177 32.500 -0.029 0.000 0.736 392 K HN 0.789 nan 8.250 nan 0.000 0.453 393 E N -0.092 120.113 120.200 0.010 0.000 2.409 393 E HA -0.003 4.348 4.350 0.000 0.000 0.198 393 E C -0.315 176.294 176.600 0.016 0.000 1.024 393 E CA 0.125 56.544 56.400 0.032 0.000 0.861 393 E CB -0.046 29.712 29.700 0.096 0.000 0.788 393 E HN 0.282 nan 8.360 nan 0.000 0.521 394 A N 1.002 123.775 122.820 -0.078 0.000 2.565 394 A HA 0.162 4.482 4.320 0.000 0.000 0.237 394 A C -0.250 177.257 177.584 -0.129 0.000 1.053 394 A CA 0.048 51.947 52.037 -0.230 0.000 0.755 394 A CB 0.172 18.639 19.000 -0.888 0.000 0.980 394 A HN 0.354 nan 8.150 nan 0.000 0.506 395 L N 2.265 123.478 121.223 -0.017 0.000 2.317 395 L HA 0.515 4.856 4.340 0.000 0.000 0.281 395 L C -0.729 176.142 176.870 0.002 0.000 1.024 395 L CA -0.468 54.366 54.840 -0.010 0.000 0.810 395 L CB 1.518 43.596 42.059 0.032 0.000 1.240 395 L HN 0.661 nan 8.230 nan 0.000 0.427 396 D N 3.093 123.485 120.400 -0.013 0.000 2.341 396 D HA 0.104 4.744 4.640 0.000 0.000 0.245 396 D C -0.721 175.592 176.300 0.021 0.000 1.106 396 D CA 0.273 54.291 54.000 0.031 0.000 0.905 396 D CB 0.718 41.528 40.800 0.016 0.000 1.202 396 D HN 0.360 nan 8.370 nan 0.000 0.426 397 F N 2.825 122.734 119.950 -0.068 0.000 2.462 397 F HA 0.127 4.654 4.527 0.000 0.000 0.360 397 F C -0.081 175.674 175.800 -0.075 0.000 1.134 397 F CA 0.399 58.358 58.000 -0.069 0.000 1.148 397 F CB 0.004 38.930 39.000 -0.124 0.000 1.147 397 F HN 0.003 nan 8.300 nan 0.000 0.550 398 Q N 6.483 125.959 119.800 -0.539 0.000 2.482 398 Q HA 0.337 4.677 4.340 0.000 0.000 0.286 398 Q C -2.748 172.782 176.000 -0.784 0.000 1.007 398 Q CA -2.232 53.288 55.803 -0.472 0.000 0.801 398 Q CB 1.923 30.495 28.738 -0.276 0.000 1.455 398 Q HN 0.289 nan 8.270 nan 0.000 0.398 399 P HA 0.009 nan 4.420 nan 0.000 0.265 399 P C -1.735 175.139 177.300 -0.710 0.000 1.193 399 P CA -0.666 61.885 63.100 -0.915 0.000 0.765 399 P CB 0.237 31.636 31.700 -0.503 0.000 0.823 400 P HA -0.180 nan 4.420 nan 0.000 0.218 400 P C 1.141 178.280 177.300 -0.268 0.000 1.148 400 P CA 1.603 64.460 63.100 -0.404 0.000 0.822 400 P CB -0.310 31.197 31.700 -0.322 0.000 0.784 401 S N -0.154 115.396 115.700 -0.250 0.000 2.547 401 S HA -0.076 4.394 4.470 0.000 0.000 0.235 401 S C 2.010 176.515 174.600 -0.158 0.000 0.980 401 S CA 1.072 59.169 58.200 -0.171 0.000 0.941 401 S CB -1.341 61.773 63.200 -0.144 0.000 0.763 401 S HN 0.327 nan 8.310 nan 0.000 0.532 402 S N 0.963 116.545 115.700 -0.196 0.000 2.414 402 S HA 0.313 4.783 4.470 0.000 0.000 0.227 402 S C 1.942 176.475 174.600 -0.112 0.000 1.022 402 S CA 0.793 58.901 58.200 -0.154 0.000 0.958 402 S CB -1.085 62.008 63.200 -0.178 0.000 0.797 402 S HN 1.434 nan 8.310 nan 0.000 0.493 403 G N 0.591 109.319 108.800 -0.121 0.000 2.205 403 G HA2 -0.314 3.646 3.960 0.000 0.000 0.261 403 G HA3 -0.314 3.646 3.960 0.000 0.000 0.261 403 G C 0.962 175.812 174.900 -0.084 0.000 0.980 403 G CA 0.667 45.712 45.100 -0.092 0.000 0.632 403 G HN 0.917 nan 8.290 nan 0.000 0.533 404 S N -0.352 115.290 115.700 -0.095 0.000 2.503 404 S HA 0.571 5.041 4.470 0.000 0.000 0.215 404 S C 1.191 175.734 174.600 -0.094 0.000 1.003 404 S CA 1.031 59.184 58.200 -0.079 0.000 0.910 404 S CB 1.081 64.246 63.200 -0.059 0.000 0.790 404 S HN 1.997 nan 8.310 nan 0.000 0.514 405 G N 1.525 110.244 108.800 -0.135 0.000 2.356 405 G HA2 0.451 4.411 3.960 0.000 0.000 0.281 405 G HA3 0.451 4.411 3.960 0.000 0.000 0.281 405 G C -2.125 172.636 174.900 -0.232 0.000 1.246 405 G CA -0.377 44.635 45.100 -0.147 0.000 0.889 405 G HN 0.390 nan 8.290 nan 0.000 0.486 406 N N -2.986 115.558 118.700 -0.259 0.000 3.039 406 N HA 0.363 5.104 4.740 0.000 0.000 0.257 406 N C -0.134 175.124 175.510 -0.421 0.000 1.497 406 N CA -0.910 51.906 53.050 -0.389 0.000 0.861 406 N CB 0.201 38.539 38.487 -0.249 0.000 1.479 406 N HN 0.316 nan 8.380 nan 0.000 0.547 407 Y N -0.310 119.759 120.300 -0.385 0.000 2.574 407 Y HA 0.001 4.551 4.550 0.000 0.000 0.294 407 Y C 2.257 178.134 175.900 -0.039 0.000 1.142 407 Y CA 1.085 58.917 58.100 -0.447 0.000 1.314 407 Y CB -0.649 37.633 38.460 -0.296 0.000 0.991 407 Y HN 0.714 nan 8.280 nan 0.000 0.555 408 S N -1.053 114.707 115.700 0.099 0.000 2.527 408 S HA 0.130 4.600 4.470 0.000 0.000 0.222 408 S C 1.369 176.067 174.600 0.162 0.000 0.985 408 S CA 0.112 58.382 58.200 0.115 0.000 0.921 408 S CB -0.615 62.611 63.200 0.043 0.000 0.772 408 S HN 0.254 nan 8.310 nan 0.000 0.529 409 G N 0.613 109.510 108.800 0.161 0.000 2.594 409 G HA2 0.434 4.394 3.960 0.000 0.000 0.243 409 G HA3 0.434 4.394 3.960 0.000 0.000 0.243 409 G C 0.205 175.282 174.900 0.296 0.000 1.229 409 G CA -0.897 44.318 45.100 0.191 0.000 0.843 409 G HN 0.467 nan 8.290 nan 0.000 0.578 410 R N -0.339 120.313 120.500 0.254 0.000 2.596 410 R HA 0.144 4.484 4.340 0.000 0.000 0.369 410 R C -1.052 175.304 176.300 0.093 0.000 1.042 410 R CA -0.288 55.964 56.100 0.254 0.000 1.120 410 R CB 0.651 31.248 30.300 0.495 0.000 1.353 410 R HN 0.509 nan 8.270 nan 0.000 0.564 411 Y N 0.950 121.162 120.300 -0.146 0.000 2.338 411 Y HA 0.454 5.004 4.550 0.000 0.000 0.328 411 Y C -0.716 175.049 175.900 -0.224 0.000 0.965 411 Y CA -1.247 56.658 58.100 -0.325 0.000 1.208 411 Y CB 0.742 38.922 38.460 -0.468 0.000 1.132 411 Y HN -0.087 nan 8.280 nan 0.000 0.469 412 I N 6.491 126.554 120.570 -0.846 0.000 2.353 412 I HA 0.414 4.584 4.170 0.000 0.000 0.293 412 I C -0.179 175.520 176.117 -0.696 0.000 0.992 412 I CA -0.873 60.016 61.300 -0.684 0.000 1.268 412 I CB 0.884 38.317 38.000 -0.945 0.000 1.387 412 I HN 0.377 nan 8.210 nan 0.000 0.478 413 R N 6.204 126.472 120.500 -0.387 0.000 2.296 413 R HA 0.158 4.499 4.340 0.000 0.000 0.327 413 R C -0.194 175.950 176.300 -0.260 0.000 1.137 413 R CA -0.288 55.675 56.100 -0.228 0.000 1.020 413 R CB 0.032 30.273 30.300 -0.098 0.000 1.110 413 R HN 0.634 nan 8.270 nan 0.000 0.499 414 Y N 1.010 121.205 120.300 -0.176 0.000 2.516 414 Y HA -0.023 4.527 4.550 0.000 0.000 0.291 414 Y C 1.879 177.703 175.900 -0.126 0.000 1.131 414 Y CA 1.196 59.203 58.100 -0.155 0.000 1.281 414 Y CB 0.146 38.501 38.460 -0.176 0.000 1.013 414 Y HN 0.902 nan 8.280 nan 0.000 0.554 415 G N 0.708 109.511 108.800 0.004 0.000 2.698 415 G HA2 -0.298 3.663 3.960 0.000 0.000 0.233 415 G HA3 -0.298 3.663 3.960 0.000 0.000 0.233 415 G C -0.588 174.297 174.900 -0.024 0.000 1.352 415 G CA -0.318 44.761 45.100 -0.035 0.000 0.879 415 G HN 0.092 nan 8.290 nan 0.000 0.567 416 I N 1.844 122.386 120.570 -0.047 0.000 2.234 416 I HA 0.379 4.550 4.170 0.000 0.000 0.287 416 I C 1.030 177.126 176.117 -0.036 0.000 1.131 416 I CA 0.240 61.498 61.300 -0.071 0.000 1.335 416 I CB 0.199 38.139 38.000 -0.100 0.000 1.511 416 I HN 0.378 nan 8.210 nan 0.000 0.588 417 R N 3.161 123.656 120.500 -0.008 0.000 2.653 417 R HA 0.253 4.593 4.340 0.000 0.000 0.269 417 R C 0.320 176.648 176.300 0.046 0.000 1.603 417 R CA -0.287 55.833 56.100 0.033 0.000 1.671 417 R CB 0.469 30.791 30.300 0.037 0.000 1.300 417 R HN 0.229 nan 8.270 nan 0.000 0.668 418 E N 0.206 120.459 120.200 0.088 0.000 2.110 418 E HA -0.183 4.167 4.350 0.000 0.000 0.193 418 E C 1.489 178.261 176.600 0.287 0.000 0.988 418 E CA 1.324 57.825 56.400 0.167 0.000 0.804 418 E CB -0.054 29.780 29.700 0.223 0.000 0.745 418 E HN 0.537 nan 8.360 nan 0.000 0.458 419 H N -0.648 118.516 119.070 0.156 0.000 2.333 419 H HA 0.062 4.618 4.556 0.000 0.000 0.302 419 H C 1.997 177.369 175.328 0.073 0.000 1.075 419 H CA 0.811 56.941 56.048 0.136 0.000 1.348 419 H CB 0.159 29.982 29.762 0.102 0.000 1.393 419 H HN 0.244 nan 8.280 nan 0.000 0.509 420 A N 1.038 123.911 122.820 0.088 0.000 1.933 420 A HA -0.196 4.124 4.320 0.000 0.000 0.218 420 A C 2.443 179.999 177.584 -0.047 0.000 1.175 420 A CA 1.481 53.506 52.037 -0.020 0.000 0.628 420 A CB -0.762 18.230 19.000 -0.012 0.000 0.814 420 A HN 0.599 nan 8.150 nan 0.000 0.444 421 M N -0.098 119.421 119.600 -0.136 0.000 2.149 421 M HA -0.139 4.341 4.480 0.000 0.000 0.261 421 M C 1.990 178.030 176.300 -0.434 0.000 1.064 421 M CA 2.027 56.997 55.300 -0.551 0.000 1.102 421 M CB -0.419 31.663 32.600 -0.863 0.000 1.369 421 M HN 0.384 nan 8.290 nan 0.000 0.408 422 G N -0.624 108.134 108.800 -0.070 0.000 2.404 422 G HA2 -0.125 3.836 3.960 0.000 0.000 0.215 422 G HA3 -0.125 3.836 3.960 0.000 0.000 0.215 422 G C 1.461 176.388 174.900 0.046 0.000 1.174 422 G CA 0.814 46.000 45.100 0.143 0.000 0.780 422 G HN 0.632 nan 8.290 nan 0.000 0.537 423 A N 0.301 123.137 122.820 0.027 0.000 2.014 423 A HA 0.218 4.538 4.320 0.000 0.000 0.218 423 A C 2.349 179.874 177.584 -0.099 0.000 1.163 423 A CA 0.786 52.801 52.037 -0.037 0.000 0.652 423 A CB -0.233 18.724 19.000 -0.071 0.000 0.808 423 A HN 0.371 nan 8.150 nan 0.000 0.449 424 I N -0.669 119.839 120.570 -0.104 0.000 2.252 424 I HA -0.270 3.900 4.170 0.000 0.000 0.245 424 I C 2.636 178.653 176.117 -0.167 0.000 1.102 424 I CA 1.291 62.525 61.300 -0.111 0.000 1.385 424 I CB -0.252 37.743 38.000 -0.007 0.000 1.064 424 I HN 0.327 nan 8.210 nan 0.000 0.414 425 M N 0.091 119.567 119.600 -0.207 0.000 2.213 425 M HA -0.180 4.300 4.480 0.000 0.000 0.263 425 M C 1.896 178.064 176.300 -0.219 0.000 1.062 425 M CA 1.452 56.612 55.300 -0.234 0.000 1.105 425 M CB -0.646 31.759 32.600 -0.325 0.000 1.385 425 M HN 0.269 nan 8.290 nan 0.000 0.417 426 N N 0.752 119.323 118.700 -0.214 0.000 2.120 426 N HA -0.100 4.641 4.740 0.000 0.000 0.188 426 N C 1.805 177.018 175.510 -0.495 0.000 1.024 426 N CA 1.690 54.519 53.050 -0.369 0.000 0.852 426 N CB -0.790 37.533 38.487 -0.274 0.000 1.003 426 N HN 0.436 nan 8.380 nan 0.000 0.424 427 G N 1.164 109.778 108.800 -0.309 0.000 2.418 427 G HA2 -0.156 3.805 3.960 0.000 0.000 0.217 427 G HA3 -0.156 3.805 3.960 0.000 0.000 0.217 427 G C 1.671 176.444 174.900 -0.212 0.000 1.158 427 G CA 0.385 45.337 45.100 -0.246 0.000 0.771 427 G HN 0.269 nan 8.290 nan 0.000 0.545 428 I N 0.642 121.057 120.570 -0.258 0.000 2.226 428 I HA -0.181 3.989 4.170 0.000 0.000 0.245 428 I C 3.009 179.042 176.117 -0.141 0.000 1.100 428 I CA 1.285 62.395 61.300 -0.317 0.000 1.374 428 I CB -0.236 37.523 38.000 -0.402 0.000 1.057 428 I HN 0.251 nan 8.210 nan 0.000 0.413 429 S N 0.525 116.149 115.700 -0.127 0.000 2.348 429 S HA -0.172 4.298 4.470 0.000 0.000 0.221 429 S C 2.213 176.833 174.600 0.034 0.000 1.033 429 S CA 1.467 59.655 58.200 -0.019 0.000 1.010 429 S CB -0.248 62.917 63.200 -0.059 0.000 0.891 429 S HN 0.477 nan 8.310 nan 0.000 0.442 430 A N 0.284 123.026 122.820 -0.129 0.000 2.070 430 A HA -0.013 4.307 4.320 0.000 0.000 0.220 430 A C 1.878 179.552 177.584 0.151 0.000 1.159 430 A CA 1.401 53.443 52.037 0.007 0.000 0.656 430 A CB -0.967 17.916 19.000 -0.195 0.000 0.800 430 A HN 0.678 nan 8.150 nan 0.000 0.453 431 F N 0.210 120.142 119.950 -0.030 0.000 2.095 431 F HA 0.194 4.721 4.527 0.000 0.000 0.298 431 F C 1.427 177.253 175.800 0.044 0.000 1.104 431 F CA 1.789 59.777 58.000 -0.021 0.000 1.232 431 F CB -0.244 38.708 39.000 -0.081 0.000 0.987 431 F HN 0.573 nan 8.300 nan 0.000 0.475 432 G N -1.470 107.456 108.800 0.210 0.000 2.337 432 G HA2 0.335 4.296 3.960 0.000 0.000 0.197 432 G HA3 0.335 4.296 3.960 0.000 0.000 0.197 432 G C 0.354 175.376 174.900 0.203 0.000 1.238 432 G CA 0.156 45.303 45.100 0.079 0.000 1.119 432 G HN 1.315 nan 8.290 nan 0.000 0.514 433 A N -1.091 121.741 122.820 0.020 0.000 2.799 433 A HA -0.040 4.280 4.320 0.000 0.000 0.287 433 A C 1.477 178.983 177.584 -0.131 0.000 1.484 433 A CA 2.116 54.113 52.037 -0.067 0.000 0.813 433 A CB -1.884 17.081 19.000 -0.059 0.000 1.009 433 A HN 2.888 nan 8.150 nan 0.000 0.545 434 N N -3.580 115.098 118.700 -0.037 0.000 2.678 434 N HA -0.234 4.506 4.740 0.000 0.000 0.250 434 N C -0.242 175.253 175.510 -0.025 0.000 1.136 434 N CA 1.672 54.699 53.050 -0.038 0.000 0.757 434 N CB -1.876 36.561 38.487 -0.082 0.000 1.135 434 N HN 0.837 nan 8.380 nan 0.000 0.565 435 Y N 0.614 120.940 120.300 0.043 0.000 2.805 435 Y HA -0.022 4.528 4.550 0.000 0.000 0.331 435 Y C 1.025 176.927 175.900 0.002 0.000 1.241 435 Y CA 0.570 58.682 58.100 0.021 0.000 1.546 435 Y CB 0.534 39.003 38.460 0.015 0.000 1.248 435 Y HN -0.111 nan 8.280 nan 0.000 0.559 436 K N 6.533 127.047 120.400 0.190 0.000 2.432 436 K HA 0.273 4.594 4.320 0.000 0.000 0.226 436 K C -2.846 173.834 176.600 0.132 0.000 1.057 436 K CA -1.865 54.493 56.287 0.119 0.000 1.034 436 K CB 0.712 33.249 32.500 0.063 0.000 1.561 436 K HN 0.364 nan 8.250 nan 0.000 0.492 437 P HA 0.126 nan 4.420 nan 0.000 0.280 437 P C -0.929 176.380 177.300 0.015 0.000 1.244 437 P CA -0.267 62.812 63.100 -0.035 0.000 0.784 437 P CB 0.382 32.002 31.700 -0.132 0.000 0.913 438 Y N 0.256 120.529 120.300 -0.045 0.000 2.562 438 Y HA 0.875 5.425 4.550 0.000 0.000 0.343 438 Y C -0.358 175.430 175.900 -0.186 0.000 1.025 438 Y CA -1.392 56.654 58.100 -0.090 0.000 1.082 438 Y CB 1.381 39.875 38.460 0.056 0.000 1.264 438 Y HN 0.551 nan 8.280 nan 0.000 0.478 439 G N -0.297 108.407 108.800 -0.160 0.000 2.682 439 G HA2 0.559 4.519 3.960 0.000 0.000 0.300 439 G HA3 0.559 4.519 3.960 0.000 0.000 0.300 439 G C -1.361 173.478 174.900 -0.103 0.000 1.391 439 G CA -0.725 44.175 45.100 -0.334 0.000 0.990 439 G HN 1.073 nan 8.290 nan 0.000 0.501 440 G N -0.860 107.938 108.800 -0.003 0.000 2.448 440 G HA2 0.738 4.698 3.960 0.000 0.000 0.324 440 G HA3 0.738 4.698 3.960 0.000 0.000 0.324 440 G C -0.777 174.165 174.900 0.071 0.000 1.203 440 G CA -0.263 44.906 45.100 0.116 0.000 0.954 440 G HN 0.875 nan 8.290 nan 0.000 0.480 441 T N -0.458 114.182 114.554 0.144 0.000 2.677 441 T HA 0.499 4.849 4.350 0.000 0.000 0.305 441 T C -1.405 173.407 174.700 0.186 0.000 1.569 441 T CA -0.593 61.554 62.100 0.078 0.000 0.984 441 T CB 0.589 69.551 68.868 0.156 0.000 1.629 441 T HN 0.226 nan 8.240 nan 0.000 0.494 442 F N 2.562 122.573 119.950 0.101 0.000 2.471 442 F HA 0.323 4.850 4.527 0.000 0.000 0.353 442 F C 1.512 177.299 175.800 -0.022 0.000 1.113 442 F CA -1.201 56.809 58.000 0.017 0.000 1.262 442 F CB 0.222 39.187 39.000 -0.059 0.000 1.146 442 F HN 0.477 nan 8.300 nan 0.000 0.578 443 L N 2.855 124.180 121.223 0.170 0.000 2.089 443 L HA -0.297 4.043 4.340 0.000 0.000 0.213 443 L C 1.991 178.830 176.870 -0.052 0.000 1.079 443 L CA 1.905 56.773 54.840 0.047 0.000 0.758 443 L CB -0.967 41.109 42.059 0.028 0.000 0.891 443 L HN 0.713 nan 8.230 nan 0.000 0.433 444 N N -1.196 117.369 118.700 -0.226 0.000 2.289 444 N HA -0.169 4.571 4.740 0.000 0.000 0.184 444 N C 1.073 176.351 175.510 -0.387 0.000 1.016 444 N CA 1.263 54.063 53.050 -0.416 0.000 0.872 444 N CB -0.122 37.894 38.487 -0.786 0.000 0.973 444 N HN 0.425 nan 8.380 nan 0.000 0.433 445 F N -1.089 118.880 119.950 0.032 0.000 2.653 445 F HA 0.309 4.836 4.527 0.000 0.000 0.304 445 F C 1.656 177.461 175.800 0.008 0.000 1.092 445 F CA -0.344 57.630 58.000 -0.043 0.000 1.279 445 F CB -0.292 38.560 39.000 -0.246 0.000 1.044 445 F HN -0.158 nan 8.300 nan 0.000 0.564 446 V N -0.686 119.271 119.914 0.072 0.000 2.720 446 V HA -0.238 3.882 4.120 0.000 0.000 0.256 446 V C 2.041 178.107 176.094 -0.047 0.000 1.082 446 V CA 2.065 64.251 62.300 -0.189 0.000 1.101 446 V CB -0.901 30.660 31.823 -0.437 0.000 0.693 446 V HN 0.318 nan 8.190 nan 0.000 0.479 447 S N -1.222 114.575 115.700 0.161 0.000 2.474 447 S HA -0.141 4.329 4.470 0.000 0.000 0.235 447 S C 1.750 176.462 174.600 0.187 0.000 0.997 447 S CA 0.953 59.280 58.200 0.212 0.000 0.949 447 S CB -0.389 62.926 63.200 0.193 0.000 0.766 447 S HN 0.606 nan 8.310 nan 0.000 0.517 448 Y N 1.436 121.752 120.300 0.027 0.000 2.421 448 Y HA 0.136 4.686 4.550 0.000 0.000 0.292 448 Y C 2.186 177.962 175.900 -0.207 0.000 1.136 448 Y CA 0.102 58.184 58.100 -0.029 0.000 1.255 448 Y CB -0.356 38.128 38.460 0.041 0.000 0.991 448 Y HN 0.297 nan 8.280 nan 0.000 0.552 449 A N -1.136 121.644 122.820 -0.066 0.000 2.423 449 A HA 0.500 4.820 4.320 0.000 0.000 0.246 449 A C 2.124 179.561 177.584 -0.245 0.000 1.278 449 A CA 0.562 52.478 52.037 -0.202 0.000 0.903 449 A CB -0.737 18.314 19.000 0.086 0.000 0.997 449 A HN 0.255 nan 8.150 nan 0.000 0.510 450 A N 0.084 122.799 122.820 -0.176 0.000 1.940 450 A HA 0.038 4.358 4.320 0.000 0.000 0.219 450 A C 2.288 179.888 177.584 0.027 0.000 1.176 450 A CA 1.909 53.960 52.037 0.023 0.000 0.631 450 A CB -1.138 17.922 19.000 0.100 0.000 0.814 450 A HN 0.793 nan 8.150 nan 0.000 0.446 451 G N -0.752 108.028 108.800 -0.033 0.000 2.475 451 G HA2 -0.028 3.933 3.960 0.000 0.000 0.220 451 G HA3 -0.028 3.933 3.960 0.000 0.000 0.220 451 G C 1.610 176.685 174.900 0.292 0.000 1.125 451 G CA 1.512 46.729 45.100 0.195 0.000 0.755 451 G HN 0.831 nan 8.290 nan 0.000 0.565 452 A N -0.213 122.857 122.820 0.417 0.000 1.911 452 A HA 0.305 4.626 4.320 0.000 0.000 0.212 452 A C 2.517 180.228 177.584 0.212 0.000 1.189 452 A CA 1.237 53.456 52.037 0.304 0.000 0.639 452 A CB -0.322 18.907 19.000 0.383 0.000 0.839 452 A HN 0.196 nan 8.150 nan 0.000 0.449 453 V N 0.397 120.405 119.914 0.158 0.000 2.407 453 V HA -0.247 3.873 4.120 0.000 0.000 0.248 453 V C 2.608 178.749 176.094 0.078 0.000 1.055 453 V CA 2.231 64.567 62.300 0.059 0.000 1.049 453 V CB -0.818 30.871 31.823 -0.223 0.000 0.662 453 V HN 0.620 nan 8.190 nan 0.000 0.455 454 R N -0.223 120.344 120.500 0.113 0.000 2.081 454 R HA -0.116 4.225 4.340 0.000 0.000 0.235 454 R C 2.223 178.574 176.300 0.085 0.000 1.131 454 R CA 1.497 57.658 56.100 0.102 0.000 0.960 454 R CB -0.218 30.144 30.300 0.104 0.000 0.856 454 R HN 0.451 nan 8.270 nan 0.000 0.436 455 L N 0.161 121.444 121.223 0.100 0.000 2.217 455 L HA -0.086 4.254 4.340 0.000 0.000 0.211 455 L C 2.295 179.217 176.870 0.086 0.000 1.107 455 L CA 0.801 55.696 54.840 0.091 0.000 0.783 455 L CB -0.135 41.988 42.059 0.108 0.000 0.919 455 L HN 0.195 nan 8.230 nan 0.000 0.442 456 S N 0.316 116.086 115.700 0.117 0.000 2.368 456 S HA -0.164 4.306 4.470 0.000 0.000 0.225 456 S C 2.218 176.829 174.600 0.017 0.000 1.030 456 S CA 1.261 59.529 58.200 0.114 0.000 0.999 456 S CB -0.256 63.032 63.200 0.147 0.000 0.844 456 S HN 0.510 nan 8.310 nan 0.000 0.459 457 A N 1.322 124.156 122.820 0.022 0.000 1.897 457 A HA 0.058 4.378 4.320 0.000 0.000 0.215 457 A C 2.127 179.719 177.584 0.013 0.000 1.181 457 A CA 1.129 53.168 52.037 0.004 0.000 0.620 457 A CB -0.669 18.337 19.000 0.010 0.000 0.821 457 A HN 0.394 nan 8.150 nan 0.000 0.443 458 L N -0.057 121.180 121.223 0.023 0.000 2.017 458 L HA -0.084 4.256 4.340 0.000 0.000 0.208 458 L C 2.409 179.291 176.870 0.020 0.000 1.073 458 L CA 2.661 57.522 54.840 0.035 0.000 0.745 458 L CB -0.610 41.479 42.059 0.051 0.000 0.894 458 L HN 0.255 nan 8.230 nan 0.000 0.432 459 S N -0.263 115.402 115.700 -0.059 0.000 2.428 459 S HA 0.150 4.620 4.470 0.000 0.000 0.230 459 S C 1.262 175.782 174.600 -0.133 0.000 1.014 459 S CA 0.776 58.883 58.200 -0.154 0.000 0.957 459 S CB -0.486 62.329 63.200 -0.642 0.000 0.784 459 S HN 0.837 nan 8.310 nan 0.000 0.499 460 G N 2.113 110.830 108.800 -0.139 0.000 2.248 460 G HA2 -0.181 3.780 3.960 0.000 0.000 0.252 460 G HA3 -0.181 3.780 3.960 0.000 0.000 0.252 460 G C -0.443 174.398 174.900 -0.098 0.000 1.085 460 G CA -0.447 44.648 45.100 -0.007 0.000 0.845 460 G HN 0.529 nan 8.290 nan 0.000 0.494 461 H N 0.263 119.318 119.070 -0.025 0.000 2.723 461 H HA 0.295 4.851 4.556 0.000 0.000 0.294 461 H C -1.941 173.384 175.328 -0.005 0.000 1.079 461 H CA -1.726 54.281 56.048 -0.069 0.000 1.411 461 H CB 1.658 31.324 29.762 -0.160 0.000 1.439 461 H HN 0.171 nan 8.280 nan 0.000 0.474 462 P HA -0.033 nan 4.420 nan 0.000 0.228 462 P C 0.319 177.663 177.300 0.073 0.000 1.748 462 P CA -0.179 62.966 63.100 0.075 0.000 0.909 462 P CB -0.488 31.241 31.700 0.049 0.000 1.882 463 V N -0.964 118.996 119.914 0.077 0.000 2.881 463 V HA 0.346 4.466 4.120 0.000 0.000 0.303 463 V C 0.253 176.386 176.094 0.066 0.000 1.070 463 V CA -0.533 61.791 62.300 0.039 0.000 1.074 463 V CB 0.740 32.553 31.823 -0.016 0.000 1.012 463 V HN -0.001 nan 8.190 nan 0.000 0.482 464 I N 2.849 123.444 120.570 0.042 0.000 2.378 464 I HA 0.383 4.553 4.170 0.000 0.000 0.291 464 I C -0.958 175.174 176.117 0.025 0.000 0.992 464 I CA -0.157 61.200 61.300 0.095 0.000 1.154 464 I CB 1.550 39.640 38.000 0.149 0.000 1.315 464 I HN 0.685 nan 8.210 nan 0.000 0.448 465 W N 5.752 127.058 121.300 0.010 0.000 2.335 465 W HA 0.443 5.103 4.660 0.000 0.000 0.307 465 W C -0.408 176.129 176.519 0.030 0.000 1.117 465 W CA -0.552 56.793 57.345 0.000 0.000 1.228 465 W CB 1.350 30.755 29.460 -0.092 0.000 1.240 465 W HN 0.084 nan 8.180 nan 0.000 0.468 466 V N 4.697 124.767 119.914 0.259 0.000 2.304 466 V HA 0.460 4.580 4.120 0.000 0.000 0.262 466 V C 0.312 176.551 176.094 0.242 0.000 1.061 466 V CA -0.822 61.609 62.300 0.218 0.000 0.872 466 V CB -0.039 31.921 31.823 0.228 0.000 1.077 466 V HN 0.590 nan 8.190 nan 0.000 0.480 467 A N 4.176 127.125 122.820 0.215 0.000 2.322 467 A HA 0.679 4.999 4.320 0.000 0.000 0.327 467 A C 0.614 178.327 177.584 0.215 0.000 1.394 467 A CA -0.314 51.852 52.037 0.215 0.000 0.921 467 A CB 0.336 19.421 19.000 0.143 0.000 1.153 467 A HN 0.771 nan 8.150 nan 0.000 0.523 468 T N -0.756 113.978 114.554 0.301 0.000 2.849 468 T HA 0.494 4.844 4.350 0.000 0.000 0.276 468 T C 0.186 175.120 174.700 0.390 0.000 0.971 468 T CA -0.146 62.164 62.100 0.351 0.000 0.949 468 T CB 0.098 69.255 68.868 0.482 0.000 1.093 468 T HN 0.845 nan 8.240 nan 0.000 0.545 469 H N 0.182 119.268 119.070 0.026 0.000 2.748 469 H HA -0.088 4.468 4.556 0.000 0.000 0.322 469 H C 0.749 176.012 175.328 -0.109 0.000 1.208 469 H CA 0.786 56.757 56.048 -0.130 0.000 1.151 469 H CB -1.926 27.547 29.762 -0.481 0.000 1.505 469 H HN 0.844 nan 8.280 nan 0.000 0.429 470 D N -0.904 119.506 120.400 0.016 0.000 2.348 470 D HA -0.032 4.609 4.640 0.000 0.000 0.216 470 D C 0.936 177.201 176.300 -0.057 0.000 0.970 470 D CA 1.044 55.040 54.000 -0.007 0.000 0.889 470 D CB 0.321 41.129 40.800 0.013 0.000 0.912 470 D HN 0.539 nan 8.370 nan 0.000 0.524 471 S N -0.844 114.803 115.700 -0.088 0.000 2.757 471 S HA 0.288 4.758 4.470 0.000 0.000 0.285 471 S C 1.227 175.718 174.600 -0.182 0.000 1.196 471 S CA -0.357 57.755 58.200 -0.146 0.000 0.856 471 S CB -0.057 63.050 63.200 -0.155 0.000 1.212 471 S HN 0.047 nan 8.310 nan 0.000 0.516 472 I N -0.481 119.916 120.570 -0.288 0.000 2.623 472 I HA 0.125 4.295 4.170 0.000 0.000 0.261 472 I C 1.920 177.871 176.117 -0.277 0.000 1.204 472 I CA 1.587 62.702 61.300 -0.309 0.000 1.444 472 I CB -1.157 36.563 38.000 -0.465 0.000 1.094 472 I HN 0.722 nan 8.210 nan 0.000 0.451 473 G N 1.217 109.897 108.800 -0.200 0.000 2.498 473 G HA2 -0.136 3.824 3.960 0.000 0.000 0.219 473 G HA3 -0.136 3.824 3.960 0.000 0.000 0.219 473 G C 1.581 176.467 174.900 -0.024 0.000 1.119 473 G CA 0.801 45.947 45.100 0.076 0.000 0.766 473 G HN 0.365 nan 8.290 nan 0.000 0.552 474 V N 0.947 120.801 119.914 -0.100 0.000 2.370 474 V HA -0.040 4.080 4.120 0.000 0.000 0.252 474 V C 2.522 178.581 176.094 -0.060 0.000 1.068 474 V CA 2.222 64.455 62.300 -0.112 0.000 1.061 474 V CB -1.099 30.668 31.823 -0.093 0.000 0.656 474 V HN 0.930 nan 8.190 nan 0.000 0.455 475 G N -0.570 108.206 108.800 -0.041 0.000 2.559 475 G HA2 -0.400 3.560 3.960 0.000 0.000 0.282 475 G HA3 -0.400 3.560 3.960 0.000 0.000 0.282 475 G C 0.606 175.492 174.900 -0.024 0.000 1.177 475 G CA 0.503 45.593 45.100 -0.017 0.000 0.960 475 G HN 0.386 nan 8.290 nan 0.000 0.540 476 E N 1.178 121.365 120.200 -0.023 0.000 2.153 476 E HA 0.034 4.384 4.350 0.000 0.000 0.194 476 E C 1.951 178.521 176.600 -0.049 0.000 0.988 476 E CA 1.302 57.684 56.400 -0.030 0.000 0.811 476 E CB -0.180 29.506 29.700 -0.023 0.000 0.746 476 E HN 0.490 nan 8.360 nan 0.000 0.466 477 D N 0.068 120.423 120.400 -0.075 0.000 2.265 477 D HA -0.039 4.601 4.640 0.000 0.000 0.208 477 D C 1.101 177.352 176.300 -0.081 0.000 0.977 477 D CA 1.328 55.239 54.000 -0.149 0.000 0.871 477 D CB -0.333 40.289 40.800 -0.298 0.000 0.925 477 D HN 0.244 nan 8.370 nan 0.000 0.485 478 G N 0.472 109.260 108.800 -0.020 0.000 2.741 478 G HA2 -0.216 3.744 3.960 0.000 0.000 0.222 478 G HA3 -0.216 3.744 3.960 0.000 0.000 0.222 478 G C -1.777 173.163 174.900 0.067 0.000 1.364 478 G CA -0.090 45.021 45.100 0.019 0.000 0.866 478 G HN 0.009 nan 8.290 nan 0.000 0.555 479 P HA -0.135 nan 4.420 nan 0.000 0.219 479 P C 1.867 179.213 177.300 0.077 0.000 1.146 479 P CA 2.804 65.959 63.100 0.092 0.000 0.808 479 P CB -0.426 31.332 31.700 0.097 0.000 0.779 480 T N -4.612 110.007 114.554 0.107 0.000 3.007 480 T HA -0.114 4.236 4.350 0.000 0.000 0.270 480 T C 1.264 176.058 174.700 0.155 0.000 1.107 480 T CA 1.229 63.418 62.100 0.148 0.000 1.118 480 T CB -0.964 68.051 68.868 0.245 0.000 0.889 480 T HN 0.206 nan 8.240 nan 0.000 0.506 481 H N 0.134 119.211 119.070 0.011 0.000 2.986 481 H HA 0.428 4.984 4.556 0.000 0.000 0.267 481 H C 0.231 175.454 175.328 -0.175 0.000 1.072 481 H CA -0.408 55.585 56.048 -0.091 0.000 1.202 481 H CB 0.399 30.150 29.762 -0.018 0.000 1.535 481 H HN 0.429 nan 8.280 nan 0.000 0.522 482 Q N 1.969 121.764 119.800 -0.009 0.000 2.360 482 Q HA 0.263 4.603 4.340 0.000 0.000 0.254 482 Q C -2.531 173.429 176.000 -0.066 0.000 0.975 482 Q CA -2.218 53.551 55.803 -0.057 0.000 0.912 482 Q CB 1.599 30.314 28.738 -0.038 0.000 1.212 482 Q HN 0.109 nan 8.270 nan 0.000 0.452 483 P HA -0.025 nan 4.420 nan 0.000 0.268 483 P C -0.263 176.987 177.300 -0.084 0.000 1.204 483 P CA 0.242 63.293 63.100 -0.082 0.000 0.768 483 P CB 0.821 32.472 31.700 -0.081 0.000 0.842 484 I N 2.162 122.693 120.570 -0.065 0.000 3.746 484 I HA 0.006 4.176 4.170 0.000 0.000 0.262 484 I C 1.900 177.962 176.117 -0.091 0.000 1.153 484 I CA 0.730 61.964 61.300 -0.111 0.000 1.395 484 I CB -0.975 36.935 38.000 -0.150 0.000 1.589 484 I HN 0.348 nan 8.210 nan 0.000 0.441 485 E N 1.286 121.442 120.200 -0.073 0.000 2.435 485 E HA -0.035 4.315 4.350 0.000 0.000 0.195 485 E C 1.488 178.061 176.600 -0.045 0.000 1.029 485 E CA 0.981 57.340 56.400 -0.067 0.000 0.865 485 E CB -0.801 28.853 29.700 -0.077 0.000 0.833 485 E HN 0.340 nan 8.360 nan 0.000 0.510 486 T N 2.243 116.785 114.554 -0.021 0.000 2.746 486 T HA -0.047 4.303 4.350 0.000 0.000 0.267 486 T C 2.051 176.775 174.700 0.041 0.000 1.039 486 T CA 1.360 63.475 62.100 0.025 0.000 1.142 486 T CB -0.186 68.718 68.868 0.060 0.000 0.866 486 T HN 0.134 nan 8.240 nan 0.000 0.444 487 L N 0.602 121.822 121.223 -0.006 0.000 2.179 487 L HA 0.114 4.454 4.340 0.000 0.000 0.208 487 L C 3.098 179.897 176.870 -0.118 0.000 1.096 487 L CA 0.810 55.618 54.840 -0.052 0.000 0.779 487 L CB -0.746 41.239 42.059 -0.122 0.000 0.922 487 L HN 0.255 nan 8.230 nan 0.000 0.443 488 A N -0.534 122.224 122.820 -0.104 0.000 1.933 488 A HA -0.265 4.055 4.320 0.000 0.000 0.218 488 A C 2.191 179.731 177.584 -0.072 0.000 1.175 488 A CA 1.613 53.589 52.037 -0.102 0.000 0.628 488 A CB -0.902 18.063 19.000 -0.059 0.000 0.814 488 A HN 0.545 nan 8.150 nan 0.000 0.444 489 H N -1.934 117.000 119.070 -0.227 0.000 2.267 489 H HA -0.168 4.388 4.556 0.000 0.000 0.297 489 H C 1.715 176.812 175.328 -0.384 0.000 1.080 489 H CA 1.947 57.772 56.048 -0.372 0.000 1.278 489 H CB -0.190 29.205 29.762 -0.612 0.000 1.365 489 H HN 0.458 nan 8.280 nan 0.000 0.489 490 F N 0.969 120.755 119.950 -0.274 0.000 2.456 490 F HA 0.024 4.551 4.527 0.000 0.000 0.298 490 F C 2.497 178.181 175.800 -0.193 0.000 1.104 490 F CA 0.518 58.311 58.000 -0.344 0.000 1.435 490 F CB -0.064 38.709 39.000 -0.379 0.000 1.078 490 F HN 0.143 nan 8.300 nan 0.000 0.546 491 R N -0.653 119.824 120.500 -0.039 0.000 2.235 491 R HA 0.014 4.354 4.340 0.000 0.000 0.213 491 R C 1.650 177.961 176.300 0.017 0.000 1.059 491 R CA 0.940 57.014 56.100 -0.043 0.000 0.997 491 R CB -0.880 29.318 30.300 -0.169 0.000 0.884 491 R HN 0.186 nan 8.270 nan 0.000 0.462 492 S N 1.014 116.714 115.700 0.001 0.000 2.562 492 S HA 0.030 4.500 4.470 0.000 0.000 0.221 492 S C 0.585 175.209 174.600 0.041 0.000 0.975 492 S CA -0.182 58.031 58.200 0.022 0.000 0.918 492 S CB -0.008 63.197 63.200 0.009 0.000 0.772 492 S HN 0.101 nan 8.310 nan 0.000 0.531 493 L N 3.609 124.858 121.223 0.043 0.000 2.265 493 L HA 0.431 4.771 4.340 0.000 0.000 0.288 493 L C -2.713 174.202 176.870 0.076 0.000 1.058 493 L CA -2.254 52.621 54.840 0.059 0.000 0.809 493 L CB 0.181 42.281 42.059 0.068 0.000 1.179 493 L HN -0.156 nan 8.230 nan 0.000 0.429 494 P HA 0.091 nan 4.420 nan 0.000 0.267 494 P C -0.468 176.891 177.300 0.098 0.000 1.200 494 P CA 0.227 63.397 63.100 0.117 0.000 0.772 494 P CB 0.300 32.061 31.700 0.101 0.000 0.855 495 N N 0.292 119.089 118.700 0.162 0.000 2.738 495 N HA -0.198 4.542 4.740 0.000 0.000 0.249 495 N C -1.175 174.182 175.510 -0.255 0.000 1.047 495 N CA 0.657 53.711 53.050 0.006 0.000 0.707 495 N CB -1.524 37.005 38.487 0.069 0.000 0.937 495 N HN 0.483 nan 8.380 nan 0.000 0.545 496 I N 0.298 120.622 120.570 -0.411 0.000 2.607 496 I HA 0.274 4.444 4.170 0.000 0.000 0.290 496 I C -0.475 175.312 176.117 -0.549 0.000 1.129 496 I CA -0.662 60.393 61.300 -0.407 0.000 1.042 496 I CB 1.334 39.229 38.000 -0.175 0.000 1.242 496 I HN 0.102 nan 8.210 nan 0.000 0.421 497 Q N 5.468 124.987 119.800 -0.468 0.000 2.314 497 Q HA 0.449 4.789 4.340 0.000 0.000 0.258 497 Q C -1.062 174.857 176.000 -0.135 0.000 0.954 497 Q CA -0.481 55.179 55.803 -0.239 0.000 0.890 497 Q CB 2.017 30.778 28.738 0.037 0.000 1.210 497 Q HN 0.479 nan 8.270 nan 0.000 0.410 498 V N 3.004 122.800 119.914 -0.197 0.000 2.315 498 V HA 0.181 4.301 4.120 0.000 0.000 0.265 498 V C -1.179 174.808 176.094 -0.178 0.000 1.019 498 V CA -0.792 61.420 62.300 -0.148 0.000 0.824 498 V CB -0.110 31.607 31.823 -0.176 0.000 1.072 498 V HN 0.702 nan 8.190 nan 0.000 0.448 499 W N 3.196 124.480 121.300 -0.026 0.000 2.311 499 W HA 0.525 5.185 4.660 0.000 0.000 0.310 499 W C 0.898 177.407 176.519 -0.017 0.000 1.274 499 W CA -0.393 56.950 57.345 -0.004 0.000 1.215 499 W CB 0.711 30.156 29.460 -0.026 0.000 1.227 499 W HN 0.308 nan 8.180 nan 0.000 0.523 500 R N 5.681 126.303 120.500 0.204 0.000 2.564 500 R HA 0.249 4.589 4.340 0.000 0.000 0.282 500 R C -2.479 173.929 176.300 0.180 0.000 1.573 500 R CA -1.766 54.419 56.100 0.141 0.000 1.588 500 R CB 0.524 30.866 30.300 0.069 0.000 1.154 500 R HN 0.136 nan 8.270 nan 0.000 0.606 501 P HA 0.031 nan 4.420 nan 0.000 0.268 501 P C -0.023 177.351 177.300 0.122 0.000 1.205 501 P CA 0.232 63.443 63.100 0.186 0.000 0.771 501 P CB 1.727 33.510 31.700 0.138 0.000 0.858 502 A N 3.026 125.921 122.820 0.125 0.000 1.984 502 A HA 0.060 4.380 4.320 0.000 0.000 0.214 502 A C 0.785 178.396 177.584 0.045 0.000 1.173 502 A CA 1.317 53.403 52.037 0.081 0.000 0.673 502 A CB -0.366 18.688 19.000 0.089 0.000 0.830 502 A HN 0.701 nan 8.150 nan 0.000 0.453 503 D N -4.715 115.710 120.400 0.043 0.000 2.921 503 D HA 0.344 4.984 4.640 0.000 0.000 0.329 503 D C 1.141 177.401 176.300 -0.067 0.000 1.293 503 D CA 0.219 54.207 54.000 -0.021 0.000 0.964 503 D CB 0.154 40.951 40.800 -0.005 0.000 1.435 503 D HN -0.027 nan 8.370 nan 0.000 0.548 504 G N -0.295 108.368 108.800 -0.229 0.000 2.440 504 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 504 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 504 G C 1.089 176.022 174.900 0.055 0.000 1.154 504 G CA 0.789 45.676 45.100 -0.356 0.000 0.767 504 G HN 0.524 nan 8.290 nan 0.000 0.552 505 N N 0.743 119.525 118.700 0.136 0.000 2.244 505 N HA -0.056 4.684 4.740 0.000 0.000 0.183 505 N C 2.066 177.631 175.510 0.091 0.000 1.016 505 N CA 0.891 54.033 53.050 0.153 0.000 0.866 505 N CB -0.168 38.394 38.487 0.126 0.000 0.980 505 N HN 0.511 nan 8.380 nan 0.000 0.430 506 E N 0.540 120.798 120.200 0.097 0.000 2.152 506 E HA -0.047 4.303 4.350 0.000 0.000 0.192 506 E C 1.954 178.583 176.600 0.049 0.000 0.983 506 E CA 0.476 56.943 56.400 0.112 0.000 0.818 506 E CB 0.171 29.979 29.700 0.181 0.000 0.758 506 E HN 0.085 nan 8.360 nan 0.000 0.467 507 V N 1.040 120.986 119.914 0.052 0.000 2.358 507 V HA -0.218 3.902 4.120 0.000 0.000 0.246 507 V C 2.255 178.398 176.094 0.082 0.000 1.047 507 V CA 1.728 64.057 62.300 0.048 0.000 1.035 507 V CB -0.300 31.586 31.823 0.105 0.000 0.658 507 V HN 0.184 nan 8.190 nan 0.000 0.452 508 S N 0.091 115.860 115.700 0.114 0.000 2.402 508 S HA -0.123 4.347 4.470 0.000 0.000 0.229 508 S C 2.184 176.784 174.600 -0.001 0.000 1.021 508 S CA 1.249 59.514 58.200 0.109 0.000 0.974 508 S CB -0.387 62.862 63.200 0.082 0.000 0.800 508 S HN 0.645 nan 8.310 nan 0.000 0.484 509 A N 1.631 124.404 122.820 -0.078 0.000 1.902 509 A HA 0.114 4.434 4.320 0.000 0.000 0.217 509 A C 2.356 179.633 177.584 -0.511 0.000 1.181 509 A CA 1.648 53.577 52.037 -0.181 0.000 0.623 509 A CB -1.060 17.882 19.000 -0.098 0.000 0.818 509 A HN 0.508 nan 8.150 nan 0.000 0.443 510 A N -1.429 120.930 122.820 -0.768 0.000 1.877 510 A HA -0.077 4.243 4.320 0.000 0.000 0.216 510 A C 2.100 179.152 177.584 -0.885 0.000 1.186 510 A CA 1.608 52.762 52.037 -1.471 0.000 0.620 510 A CB -0.817 17.593 19.000 -0.983 0.000 0.822 510 A HN 0.546 nan 8.150 nan 0.000 0.443 511 Y N 0.083 120.185 120.300 -0.330 0.000 2.181 511 Y HA -0.171 4.379 4.550 0.000 0.000 0.288 511 Y C 2.424 178.339 175.900 0.026 0.000 1.146 511 Y CA 1.739 59.767 58.100 -0.119 0.000 1.164 511 Y CB -0.270 38.177 38.460 -0.022 0.000 0.982 511 Y HN 0.338 nan 8.280 nan 0.000 0.515 512 K N 0.254 120.763 120.400 0.182 0.000 2.009 512 K HA -0.242 4.078 4.320 0.000 0.000 0.210 512 K C 1.681 178.419 176.600 0.230 0.000 1.049 512 K CA 2.086 58.536 56.287 0.273 0.000 0.929 512 K CB -0.197 32.325 32.500 0.036 0.000 0.714 512 K HN 0.250 nan 8.250 nan 0.000 0.440 513 N N 0.217 118.947 118.700 0.050 0.000 2.142 513 N HA -0.087 4.653 4.740 0.000 0.000 0.186 513 N C 1.758 177.358 175.510 0.151 0.000 1.023 513 N CA 1.441 54.574 53.050 0.137 0.000 0.852 513 N CB -0.239 38.398 38.487 0.251 0.000 0.998 513 N HN 0.101 nan 8.380 nan 0.000 0.424 514 S N 0.496 116.221 115.700 0.041 0.000 2.356 514 S HA -0.016 4.454 4.470 0.000 0.000 0.223 514 S C 1.930 176.583 174.600 0.088 0.000 1.032 514 S CA 0.818 59.060 58.200 0.070 0.000 1.005 514 S CB -0.321 62.858 63.200 -0.035 0.000 0.867 514 S HN 0.235 nan 8.310 nan 0.000 0.449 515 L N 1.048 122.329 121.223 0.097 0.000 2.156 515 L HA -0.024 4.317 4.340 0.000 0.000 0.208 515 L C 2.337 179.198 176.870 -0.015 0.000 1.095 515 L CA 1.026 55.865 54.840 -0.001 0.000 0.770 515 L CB -0.421 41.550 42.059 -0.147 0.000 0.914 515 L HN 0.309 nan 8.230 nan 0.000 0.439 516 E N -0.705 119.564 120.200 0.115 0.000 2.347 516 E HA -0.079 4.271 4.350 0.000 0.000 0.196 516 E C 0.949 177.599 176.600 0.083 0.000 1.008 516 E CA -0.024 56.450 56.400 0.123 0.000 0.852 516 E CB 0.146 29.981 29.700 0.225 0.000 0.783 516 E HN 0.178 nan 8.360 nan 0.000 0.505 517 S N 0.337 116.090 115.700 0.087 0.000 2.537 517 S HA 0.007 4.477 4.470 0.000 0.000 0.286 517 S C 0.717 175.304 174.600 -0.022 0.000 1.299 517 S CA -0.051 58.191 58.200 0.069 0.000 1.067 517 S CB 0.621 63.883 63.200 0.103 0.000 0.864 517 S HN -0.008 nan 8.310 nan 0.000 0.494 518 K N 2.270 122.587 120.400 -0.139 0.000 2.348 518 K HA 0.240 4.560 4.320 0.000 0.000 0.194 518 K C 0.732 177.040 176.600 -0.488 0.000 1.052 518 K CA 0.496 56.564 56.287 -0.364 0.000 1.004 518 K CB 0.268 32.396 32.500 -0.620 0.000 0.873 518 K HN 0.656 nan 8.250 nan 0.000 0.523 519 H N -1.331 117.807 119.070 0.113 0.000 3.230 519 H HA 0.286 4.842 4.556 0.000 0.000 0.259 519 H C -0.483 174.885 175.328 0.068 0.000 1.195 519 H CA -0.033 56.077 56.048 0.103 0.000 1.112 519 H CB 1.054 30.884 29.762 0.113 0.000 1.638 519 H HN -0.146 nan 8.280 nan 0.000 0.624 520 T N 4.927 119.546 114.554 0.108 0.000 2.890 520 T HA 0.261 4.611 4.350 0.000 0.000 0.295 520 T C -2.639 172.055 174.700 -0.011 0.000 0.993 520 T CA -1.285 60.822 62.100 0.012 0.000 0.979 520 T CB 3.057 71.893 68.868 -0.055 0.000 0.967 520 T HN 0.007 nan 8.240 nan 0.000 0.441 521 P HA 0.259 nan 4.420 nan 0.000 0.271 521 P C -0.565 176.732 177.300 -0.005 0.000 1.233 521 P CA -0.308 62.805 63.100 0.021 0.000 0.789 521 P CB 0.835 32.563 31.700 0.045 0.000 0.951 522 S N 0.777 116.520 115.700 0.073 0.000 2.547 522 S HA 0.584 5.054 4.470 0.000 0.000 0.281 522 S C -0.846 173.827 174.600 0.122 0.000 1.118 522 S CA -0.806 57.456 58.200 0.104 0.000 0.947 522 S CB 0.270 63.568 63.200 0.164 0.000 1.053 522 S HN 0.255 nan 8.310 nan 0.000 0.482 523 I N 4.922 125.526 120.570 0.057 0.000 2.362 523 I HA 0.455 4.625 4.170 0.000 0.000 0.289 523 I C -0.639 175.539 176.117 0.101 0.000 0.994 523 I CA -0.608 60.711 61.300 0.031 0.000 1.158 523 I CB 1.555 39.434 38.000 -0.200 0.000 1.315 523 I HN 0.570 nan 8.210 nan 0.000 0.451 524 I N 6.471 127.098 120.570 0.095 0.000 2.337 524 I HA 0.361 4.531 4.170 0.000 0.000 0.285 524 I C 0.457 176.620 176.117 0.077 0.000 1.041 524 I CA -0.401 60.940 61.300 0.069 0.000 1.199 524 I CB 1.232 39.158 38.000 -0.123 0.000 1.370 524 I HN 0.574 nan 8.210 nan 0.000 0.470 525 A N 8.414 131.284 122.820 0.083 0.000 2.354 525 A HA 0.725 5.045 4.320 0.000 0.000 0.281 525 A C -0.426 177.206 177.584 0.080 0.000 1.174 525 A CA -0.072 52.009 52.037 0.074 0.000 0.828 525 A CB 0.226 19.253 19.000 0.044 0.000 1.099 525 A HN 0.717 nan 8.150 nan 0.000 0.516 526 L N 2.307 123.586 121.223 0.093 0.000 2.370 526 L HA 0.524 4.864 4.340 0.000 0.000 0.266 526 L C 0.610 177.522 176.870 0.069 0.000 1.002 526 L CA -0.735 54.158 54.840 0.089 0.000 0.818 526 L CB 2.383 44.512 42.059 0.118 0.000 1.325 526 L HN 0.789 nan 8.230 nan 0.000 0.418 527 S N 0.710 116.432 115.700 0.037 0.000 2.601 527 S HA 0.372 4.842 4.470 0.000 0.000 0.271 527 S C 0.698 175.260 174.600 -0.063 0.000 1.305 527 S CA -0.595 57.600 58.200 -0.009 0.000 1.022 527 S CB 2.011 65.209 63.200 -0.003 0.000 0.940 527 S HN 0.719 nan 8.310 nan 0.000 0.525 528 R N 0.704 121.103 120.500 -0.169 0.000 2.055 528 R HA -0.011 4.329 4.340 0.000 0.000 0.226 528 R C 1.029 177.260 176.300 -0.115 0.000 1.135 528 R CA 0.832 56.769 56.100 -0.272 0.000 0.959 528 R CB -0.188 29.858 30.300 -0.423 0.000 0.854 528 R HN 0.910 nan 8.270 nan 0.000 0.431 529 Q N 1.757 121.514 119.800 -0.071 0.000 2.417 529 Q HA 0.033 4.373 4.340 0.000 0.000 0.241 529 Q C -0.923 175.055 176.000 -0.036 0.000 1.008 529 Q CA -0.149 55.632 55.803 -0.038 0.000 0.901 529 Q CB 0.366 29.097 28.738 -0.012 0.000 1.259 529 Q HN -0.003 nan 8.270 nan 0.000 0.489 530 N N 1.529 120.208 118.700 -0.034 0.000 2.492 530 N HA 0.249 4.989 4.740 0.000 0.000 0.260 530 N C -0.565 174.917 175.510 -0.047 0.000 1.215 530 N CA 0.192 53.221 53.050 -0.034 0.000 0.923 530 N CB 0.398 38.868 38.487 -0.028 0.000 1.092 530 N HN 0.468 nan 8.380 nan 0.000 0.448 531 L N 2.890 124.086 121.223 -0.045 0.000 2.381 531 L HA 0.525 4.865 4.340 0.000 0.000 0.268 531 L C -2.171 174.673 176.870 -0.043 0.000 0.997 531 L CA -1.898 52.913 54.840 -0.048 0.000 0.818 531 L CB 2.661 44.697 42.059 -0.039 0.000 1.310 531 L HN 0.295 nan 8.230 nan 0.000 0.416 532 P HA 0.098 nan 4.420 nan 0.000 0.274 532 P C -1.407 175.879 177.300 -0.024 0.000 1.256 532 P CA -0.572 62.513 63.100 -0.024 0.000 0.795 532 P CB 0.695 32.387 31.700 -0.014 0.000 1.038 533 Q N 0.852 120.643 119.800 -0.014 0.000 2.294 533 Q HA 0.351 4.691 4.340 0.000 0.000 0.257 533 Q C -0.089 175.929 176.000 0.029 0.000 0.955 533 Q CA -0.280 55.523 55.803 -0.000 0.000 0.936 533 Q CB 0.204 28.958 28.738 0.027 0.000 1.188 533 Q HN 0.422 nan 8.270 nan 0.000 0.420 534 L N 1.938 123.185 121.223 0.041 0.000 2.367 534 L HA 0.135 4.475 4.340 0.000 0.000 0.275 534 L C 0.753 177.665 176.870 0.069 0.000 1.129 534 L CA -0.507 54.365 54.840 0.054 0.000 0.839 534 L CB 0.356 42.456 42.059 0.068 0.000 1.133 534 L HN 0.475 nan 8.230 nan 0.000 0.453 535 E N 2.159 122.394 120.200 0.058 0.000 2.257 535 E HA 0.377 4.728 4.350 0.000 0.000 0.278 535 E C 0.774 177.421 176.600 0.079 0.000 1.049 535 E CA 0.702 57.139 56.400 0.062 0.000 0.876 535 E CB 0.748 30.476 29.700 0.046 0.000 1.035 535 E HN 0.678 nan 8.360 nan 0.000 0.419 536 G N 3.198 112.056 108.800 0.097 0.000 2.184 536 G HA2 -0.241 3.720 3.960 0.000 0.000 0.206 536 G HA3 -0.241 3.720 3.960 0.000 0.000 0.206 536 G C 0.096 175.122 174.900 0.209 0.000 0.995 536 G CA 0.133 45.312 45.100 0.131 0.000 0.651 536 G HN 0.997 nan 8.290 nan 0.000 0.511 537 S N 0.159 115.977 115.700 0.196 0.000 2.586 537 S HA 0.829 5.299 4.470 0.000 0.000 0.274 537 S C 0.139 174.790 174.600 0.085 0.000 1.281 537 S CA 0.700 59.039 58.200 0.231 0.000 1.035 537 S CB 2.130 65.463 63.200 0.220 0.000 0.962 537 S HN 1.903 nan 8.310 nan 0.000 0.512 538 S N 1.523 117.197 115.700 -0.043 0.000 2.607 538 S HA 0.522 4.992 4.470 0.000 0.000 0.273 538 S C 0.631 175.171 174.600 -0.099 0.000 1.148 538 S CA -1.081 57.088 58.200 -0.052 0.000 0.833 538 S CB 0.320 63.485 63.200 -0.057 0.000 1.130 538 S HN 0.597 nan 8.310 nan 0.000 0.470 539 I N 0.941 121.477 120.570 -0.056 0.000 2.226 539 I HA -0.168 4.003 4.170 0.000 0.000 0.245 539 I C 2.458 178.522 176.117 -0.088 0.000 1.100 539 I CA 1.539 62.801 61.300 -0.062 0.000 1.374 539 I CB -0.463 37.502 38.000 -0.058 0.000 1.057 539 I HN 0.707 nan 8.210 nan 0.000 0.413 540 E N 0.813 120.958 120.200 -0.092 0.000 2.038 540 E HA -0.174 4.176 4.350 0.000 0.000 0.195 540 E C 2.359 178.883 176.600 -0.126 0.000 1.000 540 E CA 1.714 58.062 56.400 -0.088 0.000 0.803 540 E CB -0.248 29.411 29.700 -0.068 0.000 0.750 540 E HN 0.262 nan 8.360 nan 0.000 0.448 541 S N 0.198 115.766 115.700 -0.220 0.000 2.359 541 S HA -0.210 4.260 4.470 0.000 0.000 0.224 541 S C 2.058 176.356 174.600 -0.502 0.000 1.035 541 S CA 1.191 59.151 58.200 -0.400 0.000 1.018 541 S CB -0.450 62.292 63.200 -0.763 0.000 0.876 541 S HN 0.426 nan 8.310 nan 0.000 0.448 542 A N 0.947 123.444 122.820 -0.538 0.000 2.067 542 A HA 0.005 4.325 4.320 0.000 0.000 0.219 542 A C 2.176 179.876 177.584 0.192 0.000 1.158 542 A CA 1.352 53.310 52.037 -0.131 0.000 0.661 542 A CB -0.637 18.369 19.000 0.010 0.000 0.801 542 A HN 0.412 nan 8.150 nan 0.000 0.452 543 S N -0.376 115.379 115.700 0.092 0.000 2.500 543 S HA -0.092 4.378 4.470 0.000 0.000 0.239 543 S C 1.505 176.246 174.600 0.234 0.000 0.989 543 S CA 1.296 59.607 58.200 0.186 0.000 0.951 543 S CB -0.161 63.079 63.200 0.067 0.000 0.759 543 S HN 0.639 nan 8.310 nan 0.000 0.523 544 K N 0.120 120.624 120.400 0.173 0.000 2.444 544 K HA 0.207 4.527 4.320 0.000 0.000 0.193 544 K C 1.527 178.310 176.600 0.305 0.000 1.024 544 K CA 0.426 56.809 56.287 0.160 0.000 1.077 544 K CB 0.122 32.638 32.500 0.026 0.000 0.833 544 K HN 0.361 nan 8.250 nan 0.000 0.517 545 G N 0.545 109.550 108.800 0.342 0.000 2.363 545 G HA2 -0.260 3.700 3.960 0.000 0.000 0.238 545 G HA3 -0.260 3.700 3.960 0.000 0.000 0.238 545 G C 0.341 175.377 174.900 0.228 0.000 1.062 545 G CA -0.089 45.139 45.100 0.214 0.000 0.629 545 G HN 0.576 nan 8.290 nan 0.000 0.514 546 G N -0.901 108.126 108.800 0.378 0.000 2.755 546 G HA2 0.851 4.811 3.960 0.000 0.000 0.297 546 G HA3 0.851 4.811 3.960 0.000 0.000 0.297 546 G C -1.035 174.104 174.900 0.398 0.000 1.441 546 G CA 0.249 45.387 45.100 0.063 0.000 0.964 546 G HN 1.760 nan 8.290 nan 0.000 0.540 547 Y N -1.090 119.229 120.300 0.031 0.000 2.656 547 Y HA 0.686 5.236 4.550 0.000 0.000 0.334 547 Y C -1.051 174.860 175.900 0.018 0.000 1.179 547 Y CA -1.745 56.425 58.100 0.118 0.000 1.050 547 Y CB 0.932 39.516 38.460 0.207 0.000 1.308 547 Y HN 0.480 nan 8.280 nan 0.000 0.456 548 V N 3.864 123.800 119.914 0.036 0.000 2.397 548 V HA 0.046 4.166 4.120 0.000 0.000 0.262 548 V C 0.902 176.973 176.094 -0.039 0.000 1.047 548 V CA 0.104 62.370 62.300 -0.057 0.000 1.003 548 V CB 0.341 32.173 31.823 0.016 0.000 1.037 548 V HN 0.900 nan 8.190 nan 0.000 0.480 549 L N 4.599 125.699 121.223 -0.205 0.000 2.068 549 L HA 0.134 4.474 4.340 0.000 0.000 0.204 549 L C 1.049 177.932 176.870 0.021 0.000 1.076 549 L CA 1.735 56.523 54.840 -0.087 0.000 0.753 549 L CB 0.103 42.054 42.059 -0.180 0.000 0.910 549 L HN 0.643 nan 8.230 nan 0.000 0.439 550 Q N 0.254 120.045 119.800 -0.016 0.000 2.290 550 Q HA 0.266 4.606 4.340 0.000 0.000 0.269 550 Q C -1.488 174.512 176.000 -0.000 0.000 1.016 550 Q CA -0.541 55.265 55.803 0.005 0.000 0.754 550 Q CB 2.078 30.815 28.738 -0.002 0.000 1.247 550 Q HN 0.130 nan 8.270 nan 0.000 0.451 551 D N 1.156 121.564 120.400 0.014 0.000 2.340 551 D HA 0.680 5.320 4.640 0.000 0.000 0.243 551 D C -1.217 175.089 176.300 0.010 0.000 0.988 551 D CA -0.590 53.416 54.000 0.010 0.000 0.959 551 D CB 2.017 42.829 40.800 0.020 0.000 1.226 551 D HN 0.290 nan 8.370 nan 0.000 0.509 552 V N -1.506 118.411 119.914 0.006 0.000 3.048 552 V HA 0.821 4.941 4.120 0.000 0.000 0.303 552 V C -0.574 175.523 176.094 0.006 0.000 1.214 552 V CA -1.293 61.011 62.300 0.007 0.000 0.984 552 V CB 1.012 32.838 31.823 0.004 0.000 1.054 552 V HN 0.679 nan 8.190 nan 0.000 0.430 553 A N 2.208 125.032 122.820 0.007 0.000 2.450 553 A HA 0.590 4.910 4.320 0.000 0.000 0.255 553 A C 0.715 178.301 177.584 0.004 0.000 1.096 553 A CA 0.659 52.700 52.037 0.006 0.000 0.778 553 A CB -1.066 17.938 19.000 0.006 0.000 1.031 553 A HN 1.778 nan 8.150 nan 0.000 0.494 554 N N 0.089 118.790 118.700 0.002 0.000 2.708 554 N HA -0.124 4.616 4.740 0.000 0.000 0.255 554 N C -2.641 172.870 175.510 0.001 0.000 1.046 554 N CA 0.683 53.733 53.050 0.001 0.000 0.715 554 N CB -1.237 37.250 38.487 0.001 0.000 0.895 554 N HN 0.665 nan 8.380 nan 0.000 0.545 555 P HA 0.064 nan 4.420 nan 0.000 0.272 555 P C -0.134 177.168 177.300 0.003 0.000 1.223 555 P CA -0.021 63.080 63.100 0.001 0.000 0.784 555 P CB 0.871 32.570 31.700 -0.001 0.000 0.923 556 D N 1.017 121.420 120.400 0.005 0.000 2.234 556 D HA 0.079 4.719 4.640 0.000 0.000 0.205 556 D C 0.888 177.198 176.300 0.016 0.000 0.962 556 D CA 1.182 55.188 54.000 0.010 0.000 0.855 556 D CB 0.457 41.263 40.800 0.010 0.000 0.951 556 D HN 0.367 nan 8.370 nan 0.000 0.500 557 I N -0.272 120.306 120.570 0.014 0.000 3.004 557 I HA 0.253 4.423 4.170 0.000 0.000 0.305 557 I C -1.710 174.415 176.117 0.012 0.000 1.312 557 I CA -0.800 60.513 61.300 0.022 0.000 0.992 557 I CB 2.637 40.654 38.000 0.029 0.000 1.282 557 I HN -0.348 nan 8.210 nan 0.000 0.449 558 I N 6.656 127.236 120.570 0.017 0.000 2.362 558 I HA 0.365 4.535 4.170 0.000 0.000 0.289 558 I C -0.877 175.238 176.117 -0.004 0.000 0.994 558 I CA -0.672 60.628 61.300 -0.001 0.000 1.158 558 I CB 1.599 39.597 38.000 -0.004 0.000 1.315 558 I HN 0.309 nan 8.210 nan 0.000 0.451 559 L N 7.119 128.330 121.223 -0.020 0.000 2.265 559 L HA 0.449 4.789 4.340 0.000 0.000 0.288 559 L C -0.514 176.321 176.870 -0.060 0.000 1.058 559 L CA -0.710 54.112 54.840 -0.029 0.000 0.809 559 L CB 1.350 43.399 42.059 -0.018 0.000 1.179 559 L HN 0.297 nan 8.230 nan 0.000 0.429 560 V N 3.139 123.004 119.914 -0.082 0.000 2.384 560 V HA 0.773 4.893 4.120 0.000 0.000 0.287 560 V C 0.245 176.274 176.094 -0.110 0.000 1.020 560 V CA -0.355 61.889 62.300 -0.093 0.000 0.850 560 V CB 1.292 33.086 31.823 -0.048 0.000 0.987 560 V HN 0.899 nan 8.190 nan 0.000 0.436 561 A N 3.790 126.583 122.820 -0.045 0.000 2.486 561 A HA 1.039 5.360 4.320 0.000 0.000 0.289 561 A C -0.149 177.500 177.584 0.108 0.000 1.176 561 A CA -0.322 51.715 52.037 0.000 0.000 0.757 561 A CB 2.296 21.289 19.000 -0.011 0.000 1.337 561 A HN 0.903 nan 8.150 nan 0.000 0.423 562 T N -2.572 112.070 114.554 0.147 0.000 2.896 562 T HA 0.711 5.062 4.350 0.000 0.000 0.297 562 T C 0.809 175.570 174.700 0.102 0.000 1.108 562 T CA 0.433 62.632 62.100 0.165 0.000 1.004 562 T CB 0.996 70.011 68.868 0.245 0.000 1.159 562 T HN 2.635 nan 8.240 nan 0.000 0.499 563 G N 2.152 111.010 108.800 0.098 0.000 2.652 563 G HA2 -0.373 3.587 3.960 0.000 0.000 0.318 563 G HA3 -0.373 3.587 3.960 0.000 0.000 0.318 563 G C 1.327 176.252 174.900 0.042 0.000 1.295 563 G CA 1.896 47.039 45.100 0.071 0.000 0.999 563 G HN 2.117 nan 8.290 nan 0.000 0.548 564 S N -0.174 115.541 115.700 0.026 0.000 2.465 564 S HA -0.039 4.431 4.470 0.000 0.000 0.241 564 S C 1.702 176.293 174.600 -0.014 0.000 1.000 564 S CA 2.187 60.385 58.200 -0.003 0.000 0.964 564 S CB -0.064 63.137 63.200 0.002 0.000 0.763 564 S HN 0.636 nan 8.310 nan 0.000 0.512 565 E N 0.754 120.958 120.200 0.007 0.000 2.502 565 E HA 0.187 4.538 4.350 0.000 0.000 0.194 565 E C 1.676 178.288 176.600 0.020 0.000 1.062 565 E CA 0.087 56.497 56.400 0.016 0.000 0.867 565 E CB -0.147 29.560 29.700 0.012 0.000 0.888 565 E HN 0.428 nan 8.360 nan 0.000 0.510 566 V N 0.517 120.440 119.914 0.015 0.000 2.379 566 V HA -0.240 3.880 4.120 0.000 0.000 0.245 566 V C 2.245 178.341 176.094 0.002 0.000 1.044 566 V CA 1.916 64.220 62.300 0.005 0.000 1.036 566 V CB -0.625 31.203 31.823 0.008 0.000 0.664 566 V HN 0.403 nan 8.190 nan 0.000 0.453 567 S N 0.531 116.230 115.700 -0.002 0.000 2.383 567 S HA -0.183 4.287 4.470 0.000 0.000 0.227 567 S C 1.958 176.554 174.600 -0.006 0.000 1.026 567 S CA 1.582 59.778 58.200 -0.007 0.000 0.981 567 S CB -0.614 62.574 63.200 -0.021 0.000 0.818 567 S HN 0.396 nan 8.310 nan 0.000 0.472 568 L N 2.165 123.386 121.223 -0.003 0.000 2.017 568 L HA 0.019 4.359 4.340 0.000 0.000 0.208 568 L C 2.423 179.317 176.870 0.040 0.000 1.073 568 L CA 1.955 56.808 54.840 0.021 0.000 0.745 568 L CB -1.090 41.002 42.059 0.054 0.000 0.894 568 L HN 0.288 nan 8.230 nan 0.000 0.432 569 S N -1.237 114.486 115.700 0.038 0.000 2.399 569 S HA -0.129 4.341 4.470 0.000 0.000 0.231 569 S C 1.941 176.550 174.600 0.014 0.000 1.022 569 S CA 1.255 59.474 58.200 0.031 0.000 0.983 569 S CB -0.334 62.875 63.200 0.016 0.000 0.803 569 S HN 0.345 nan 8.310 nan 0.000 0.480 570 V N 1.843 121.761 119.914 0.007 0.000 2.427 570 V HA -0.091 4.029 4.120 0.000 0.000 0.248 570 V C 2.460 178.558 176.094 0.007 0.000 1.051 570 V CA 1.360 63.662 62.300 0.004 0.000 1.048 570 V CB -0.437 31.388 31.823 0.003 0.000 0.666 570 V HN 0.380 nan 8.190 nan 0.000 0.456 571 E N 0.338 120.544 120.200 0.010 0.000 2.107 571 E HA -0.111 4.239 4.350 0.000 0.000 0.191 571 E C 2.390 178.998 176.600 0.013 0.000 0.982 571 E CA 1.341 57.747 56.400 0.010 0.000 0.809 571 E CB -0.463 29.242 29.700 0.009 0.000 0.756 571 E HN 0.548 nan 8.360 nan 0.000 0.459 572 A N 1.656 124.488 122.820 0.020 0.000 1.908 572 A HA -0.150 4.170 4.320 0.000 0.000 0.218 572 A C 2.416 180.006 177.584 0.009 0.000 1.181 572 A CA 2.223 54.271 52.037 0.019 0.000 0.627 572 A CB -0.607 18.412 19.000 0.032 0.000 0.818 572 A HN 0.267 nan 8.150 nan 0.000 0.445 573 A N -0.893 121.932 122.820 0.007 0.000 2.015 573 A HA -0.076 4.244 4.320 0.000 0.000 0.219 573 A C 2.025 179.611 177.584 0.003 0.000 1.163 573 A CA 2.054 54.093 52.037 0.003 0.000 0.646 573 A CB -0.308 18.693 19.000 0.001 0.000 0.806 573 A HN 0.434 nan 8.150 nan 0.000 0.448 574 K N -0.473 119.929 120.400 0.005 0.000 2.002 574 K HA -0.057 4.263 4.320 0.000 0.000 0.209 574 K C 2.095 178.697 176.600 0.003 0.000 1.048 574 K CA 2.021 58.311 56.287 0.004 0.000 0.930 574 K CB -0.831 31.672 32.500 0.005 0.000 0.714 574 K HN 0.424 nan 8.250 nan 0.000 0.438 575 T N 1.389 115.944 114.554 0.003 0.000 2.720 575 T HA -0.130 4.220 4.350 0.000 0.000 0.268 575 T C 1.715 176.413 174.700 -0.003 0.000 1.037 575 T CA 1.280 63.379 62.100 -0.000 0.000 1.144 575 T CB -0.258 68.609 68.868 -0.001 0.000 0.864 575 T HN 0.073 nan 8.240 nan 0.000 0.444 576 L N 0.551 121.772 121.223 -0.003 0.000 2.083 576 L HA -0.065 4.275 4.340 0.000 0.000 0.209 576 L C 3.011 179.879 176.870 -0.002 0.000 1.083 576 L CA 1.079 55.916 54.840 -0.004 0.000 0.752 576 L CB -0.626 41.431 42.059 -0.003 0.000 0.899 576 L HN 0.253 nan 8.230 nan 0.000 0.433 577 A N 0.025 122.845 122.820 -0.000 0.000 1.933 577 A HA -0.136 4.184 4.320 0.000 0.000 0.218 577 A C 2.516 180.100 177.584 0.000 0.000 1.175 577 A CA 1.529 53.566 52.037 0.001 0.000 0.628 577 A CB -0.582 18.420 19.000 0.002 0.000 0.814 577 A HN 0.393 nan 8.150 nan 0.000 0.444 578 A N 0.550 123.370 122.820 -0.000 0.000 2.019 578 A HA -0.122 4.198 4.320 0.000 0.000 0.219 578 A C 1.703 179.286 177.584 -0.002 0.000 1.164 578 A CA 1.534 53.570 52.037 -0.001 0.000 0.644 578 A CB -0.365 18.634 19.000 -0.001 0.000 0.805 578 A HN 0.623 nan 8.150 nan 0.000 0.449 579 K N -0.685 119.713 120.400 -0.004 0.000 2.681 579 K HA 0.294 4.614 4.320 0.000 0.000 0.211 579 K C -0.397 176.200 176.600 -0.004 0.000 1.075 579 K CA 0.054 56.338 56.287 -0.005 0.000 1.141 579 K CB -0.540 31.956 32.500 -0.008 0.000 0.896 579 K HN 0.455 nan 8.250 nan 0.000 0.470 580 N N 1.022 119.721 118.700 -0.002 0.000 2.721 580 N HA -0.187 4.553 4.740 0.000 0.000 0.249 580 N C -1.072 174.438 175.510 -0.001 0.000 1.072 580 N CA 0.208 53.257 53.050 -0.001 0.000 0.710 580 N CB -0.988 37.498 38.487 -0.001 0.000 0.993 580 N HN 0.393 nan 8.380 nan 0.000 0.547 581 I N 0.879 121.449 120.570 -0.001 0.000 2.354 581 I HA 0.178 4.348 4.170 0.000 0.000 0.292 581 I C 0.172 176.290 176.117 0.001 0.000 0.989 581 I CA -0.478 60.822 61.300 0.000 0.000 1.188 581 I CB 1.312 39.312 38.000 -0.001 0.000 1.342 581 I HN -0.050 nan 8.210 nan 0.000 0.457 582 K N 6.114 126.515 120.400 0.002 0.000 2.284 582 K HA 0.639 4.959 4.320 0.000 0.000 0.287 582 K C -0.515 176.086 176.600 0.002 0.000 1.081 582 K CA -0.371 55.917 56.287 0.002 0.000 0.910 582 K CB 1.190 33.691 32.500 0.002 0.000 1.088 582 K HN 0.634 nan 8.250 nan 0.000 0.478 583 A N 3.811 126.631 122.820 0.000 0.000 2.303 583 A HA 0.330 4.650 4.320 0.000 0.000 0.320 583 A C -0.378 177.202 177.584 -0.006 0.000 1.192 583 A CA -0.796 51.240 52.037 -0.002 0.000 0.821 583 A CB 0.708 19.707 19.000 -0.001 0.000 1.188 583 A HN 0.794 nan 8.150 nan 0.000 0.492 584 R N 2.399 122.893 120.500 -0.010 0.000 2.390 584 R HA 0.493 4.834 4.340 0.000 0.000 0.291 584 R C -1.326 174.954 176.300 -0.033 0.000 1.070 584 R CA -0.156 55.932 56.100 -0.020 0.000 1.014 584 R CB 0.687 30.974 30.300 -0.022 0.000 1.007 584 R HN 0.446 nan 8.270 nan 0.000 0.466 585 V N 5.498 125.385 119.914 -0.045 0.000 2.370 585 V HA 0.299 4.419 4.120 0.000 0.000 0.283 585 V C -0.294 175.729 176.094 -0.118 0.000 1.023 585 V CA -0.695 61.565 62.300 -0.066 0.000 0.857 585 V CB 1.666 33.459 31.823 -0.051 0.000 0.985 585 V HN 0.514 nan 8.190 nan 0.000 0.443 586 V N 3.918 123.744 119.914 -0.147 0.000 2.459 586 V HA 0.448 4.569 4.120 0.000 0.000 0.295 586 V C 0.231 176.165 176.094 -0.265 0.000 1.029 586 V CA -0.226 61.933 62.300 -0.235 0.000 0.874 586 V CB 2.113 33.807 31.823 -0.214 0.000 0.985 586 V HN 0.857 nan 8.190 nan 0.000 0.438 587 S N 4.539 119.974 115.700 -0.441 0.000 2.429 587 S HA 0.569 5.039 4.470 0.000 0.000 0.302 587 S C -0.583 173.852 174.600 -0.276 0.000 1.115 587 S CA -0.435 57.559 58.200 -0.344 0.000 1.095 587 S CB 0.654 63.591 63.200 -0.437 0.000 0.987 587 S HN 0.571 nan 8.310 nan 0.000 0.474 588 L N 9.033 130.190 121.223 -0.110 0.000 2.719 588 L HA 0.479 4.820 4.340 0.000 0.000 0.236 588 L C -1.685 175.218 176.870 0.055 0.000 1.221 588 L CA -1.785 52.981 54.840 -0.123 0.000 1.048 588 L CB 1.237 43.160 42.059 -0.228 0.000 1.364 588 L HN 0.484 nan 8.230 nan 0.000 0.447 589 P HA -0.053 nan 4.420 nan 0.000 0.223 589 P C -0.256 177.013 177.300 -0.053 0.000 1.151 589 P CA 0.786 63.999 63.100 0.188 0.000 0.787 589 P CB 0.347 32.310 31.700 0.438 0.000 0.788 590 D N -1.863 118.382 120.400 -0.260 0.000 2.890 590 D HA 0.165 4.805 4.640 0.000 0.000 0.233 590 D C 0.567 176.866 176.300 -0.002 0.000 1.306 590 D CA -0.694 53.041 54.000 -0.441 0.000 0.929 590 D CB 0.609 40.533 40.800 -1.460 0.000 1.512 590 D HN -0.369 nan 8.370 nan 0.000 0.568 591 F N 2.412 122.280 119.950 -0.137 0.000 2.095 591 F HA -0.064 4.463 4.527 0.000 0.000 0.298 591 F C 2.048 177.919 175.800 0.119 0.000 1.104 591 F CA 0.683 58.714 58.000 0.051 0.000 1.232 591 F CB -1.040 38.007 39.000 0.079 0.000 0.987 591 F HN 0.498 nan 8.300 nan 0.000 0.475 592 F N 1.078 121.098 119.950 0.117 0.000 2.065 592 F HA -0.289 4.239 4.527 0.000 0.000 0.298 592 F C 2.483 178.316 175.800 0.056 0.000 1.112 592 F CA 2.476 60.513 58.000 0.062 0.000 1.212 592 F CB -0.906 38.092 39.000 -0.003 0.000 0.975 592 F HN -0.108 nan 8.300 nan 0.000 0.476 593 T N 0.603 115.208 114.554 0.084 0.000 2.777 593 T HA -0.198 4.152 4.350 0.000 0.000 0.266 593 T C 1.668 176.399 174.700 0.052 0.000 1.040 593 T CA 1.414 63.547 62.100 0.056 0.000 1.141 593 T CB -0.759 68.182 68.868 0.122 0.000 0.868 593 T HN 0.325 nan 8.240 nan 0.000 0.444 594 F N 2.761 122.682 119.950 -0.048 0.000 2.069 594 F HA -0.141 4.386 4.527 0.000 0.000 0.298 594 F C 1.818 177.604 175.800 -0.024 0.000 1.113 594 F CA 1.347 59.336 58.000 -0.018 0.000 1.214 594 F CB -0.573 38.362 39.000 -0.109 0.000 0.978 594 F HN 0.058 nan 8.300 nan 0.000 0.474 595 D N 0.215 120.567 120.400 -0.080 0.000 2.221 595 D HA -0.165 4.475 4.640 0.000 0.000 0.204 595 D C 2.056 178.210 176.300 -0.242 0.000 0.982 595 D CA 1.148 55.037 54.000 -0.185 0.000 0.857 595 D CB -0.310 40.442 40.800 -0.081 0.000 0.934 595 D HN 0.376 nan 8.370 nan 0.000 0.475 596 K N 0.141 120.381 120.400 -0.267 0.000 2.432 596 K HA 0.001 4.321 4.320 0.000 0.000 0.196 596 K C 0.600 177.108 176.600 -0.154 0.000 1.038 596 K CA 0.143 56.293 56.287 -0.228 0.000 0.986 596 K CB 0.260 32.600 32.500 -0.266 0.000 0.782 596 K HN 0.192 nan 8.250 nan 0.000 0.485 597 Q N 1.351 121.053 119.800 -0.162 0.000 2.421 597 Q HA 0.103 4.443 4.340 0.000 0.000 0.255 597 Q C -2.275 173.666 176.000 -0.098 0.000 1.013 597 Q CA -1.915 53.818 55.803 -0.115 0.000 0.895 597 Q CB -0.231 28.472 28.738 -0.060 0.000 1.271 597 Q HN 0.095 nan 8.270 nan 0.000 0.460 598 P HA -0.079 nan 4.420 nan 0.000 0.265 598 P C 0.823 178.112 177.300 -0.020 0.000 1.193 598 P CA -0.101 62.983 63.100 -0.025 0.000 0.765 598 P CB 0.585 32.286 31.700 0.001 0.000 0.823 599 L N 4.126 125.319 121.223 -0.050 0.000 2.064 599 L HA -0.265 4.075 4.340 0.000 0.000 0.216 599 L C 2.335 179.188 176.870 -0.028 0.000 1.077 599 L CA 2.075 56.880 54.840 -0.059 0.000 0.766 599 L CB -1.025 41.004 42.059 -0.050 0.000 0.890 599 L HN 0.414 nan 8.230 nan 0.000 0.435 600 E N -1.886 118.317 120.200 0.005 0.000 2.086 600 E HA -0.330 4.020 4.350 0.000 0.000 0.200 600 E C 2.071 178.701 176.600 0.050 0.000 1.012 600 E CA 2.022 58.436 56.400 0.025 0.000 0.812 600 E CB -0.435 29.291 29.700 0.042 0.000 0.743 600 E HN 0.671 nan 8.360 nan 0.000 0.453 601 Y N 1.236 121.516 120.300 -0.034 0.000 2.163 601 Y HA -0.151 4.399 4.550 0.000 0.000 0.288 601 Y C 2.165 178.062 175.900 -0.004 0.000 1.136 601 Y CA 1.544 59.638 58.100 -0.010 0.000 1.147 601 Y CB 0.019 38.470 38.460 -0.015 0.000 0.987 601 Y HN -0.157 nan 8.280 nan 0.000 0.509 602 R N -0.082 120.332 120.500 -0.144 0.000 2.081 602 R HA -0.154 4.186 4.340 0.000 0.000 0.235 602 R C 2.213 178.457 176.300 -0.093 0.000 1.131 602 R CA 1.847 57.791 56.100 -0.260 0.000 0.960 602 R CB -0.559 29.476 30.300 -0.442 0.000 0.856 602 R HN 0.397 nan 8.270 nan 0.000 0.436 603 L N 0.660 121.835 121.223 -0.080 0.000 2.291 603 L HA -0.089 4.252 4.340 0.000 0.000 0.214 603 L C 2.499 179.334 176.870 -0.058 0.000 1.120 603 L CA 0.999 55.814 54.840 -0.041 0.000 0.799 603 L CB -0.380 41.661 42.059 -0.029 0.000 0.925 603 L HN 0.266 nan 8.230 nan 0.000 0.446 604 S N -1.135 114.501 115.700 -0.106 0.000 2.453 604 S HA -0.061 4.409 4.470 0.000 0.000 0.231 604 S C 1.762 176.283 174.600 -0.132 0.000 1.005 604 S CA 0.602 58.740 58.200 -0.104 0.000 0.949 604 S CB -0.213 62.927 63.200 -0.099 0.000 0.774 604 S HN 0.167 nan 8.310 nan 0.000 0.510 605 V N 1.034 120.839 119.914 -0.181 0.000 2.446 605 V HA 0.283 4.403 4.120 0.000 0.000 0.244 605 V C 1.008 177.068 176.094 -0.057 0.000 1.039 605 V CA 0.957 63.179 62.300 -0.129 0.000 1.045 605 V CB -0.414 31.341 31.823 -0.115 0.000 0.681 605 V HN 0.492 nan 8.190 nan 0.000 0.459 606 L N 2.879 124.100 121.223 -0.002 0.000 2.502 606 L HA 0.375 4.715 4.340 0.000 0.000 0.247 606 L C -2.450 174.429 176.870 0.015 0.000 1.180 606 L CA -1.377 53.471 54.840 0.013 0.000 0.956 606 L CB 1.229 43.324 42.059 0.060 0.000 1.282 606 L HN 0.191 nan 8.230 nan 0.000 0.470 607 P HA 0.189 nan 4.420 nan 0.000 0.289 607 P C -0.742 176.571 177.300 0.021 0.000 1.299 607 P CA -0.432 62.671 63.100 0.005 0.000 0.766 607 P CB 1.223 32.920 31.700 -0.004 0.000 1.226 608 D N -0.258 120.151 120.400 0.015 0.000 2.411 608 D HA 0.067 4.707 4.640 0.000 0.000 0.251 608 D C 0.710 177.014 176.300 0.006 0.000 1.201 608 D CA 0.085 54.096 54.000 0.019 0.000 0.996 608 D CB -0.243 40.561 40.800 0.007 0.000 1.101 608 D HN 0.361 nan 8.370 nan 0.000 0.504 609 N N -1.340 117.353 118.700 -0.012 0.000 2.714 609 N HA -0.156 4.584 4.740 0.000 0.000 0.250 609 N C -0.901 174.584 175.510 -0.041 0.000 1.117 609 N CA 0.563 53.591 53.050 -0.036 0.000 0.719 609 N CB -1.389 37.084 38.487 -0.023 0.000 1.081 609 N HN 0.157 nan 8.380 nan 0.000 0.557 610 V N -1.747 118.146 119.914 -0.035 0.000 2.709 610 V HA 0.528 4.648 4.120 0.000 0.000 0.308 610 V C -2.346 173.714 176.094 -0.057 0.000 1.062 610 V CA -1.982 60.301 62.300 -0.028 0.000 0.901 610 V CB 2.374 34.201 31.823 0.006 0.000 1.003 610 V HN -0.230 nan 8.190 nan 0.000 0.425 611 P HA 0.342 nan 4.420 nan 0.000 0.267 611 P C -0.795 176.566 177.300 0.102 0.000 1.205 611 P CA 0.351 63.413 63.100 -0.063 0.000 0.765 611 P CB 0.324 32.063 31.700 0.064 0.000 0.828 612 I N 3.526 124.252 120.570 0.260 0.000 2.406 612 I HA 0.459 4.629 4.170 0.000 0.000 0.290 612 I C 0.123 176.316 176.117 0.126 0.000 0.999 612 I CA -0.563 60.825 61.300 0.148 0.000 1.124 612 I CB 1.587 39.641 38.000 0.091 0.000 1.289 612 I HN 0.217 nan 8.210 nan 0.000 0.441 613 M N 6.089 125.725 119.600 0.059 0.000 2.243 613 M HA 0.465 4.945 4.480 0.000 0.000 0.324 613 M C -0.375 175.884 176.300 -0.069 0.000 1.031 613 M CA -0.394 54.921 55.300 0.025 0.000 0.949 613 M CB 1.591 34.209 32.600 0.030 0.000 1.615 613 M HN 0.716 nan 8.290 nan 0.000 0.430 614 S N 3.579 119.170 115.700 -0.180 0.000 2.610 614 S HA 0.719 5.190 4.470 0.000 0.000 0.273 614 S C -0.637 173.742 174.600 -0.369 0.000 1.274 614 S CA -0.777 57.132 58.200 -0.484 0.000 1.023 614 S CB 1.529 64.023 63.200 -1.177 0.000 0.962 614 S HN 0.563 nan 8.310 nan 0.000 0.523 615 V N 1.963 121.654 119.914 -0.372 0.000 2.447 615 V HA 0.649 4.770 4.120 0.000 0.000 0.292 615 V C -0.443 175.559 176.094 -0.154 0.000 1.021 615 V CA -0.328 61.903 62.300 -0.114 0.000 0.850 615 V CB 0.835 32.681 31.823 0.039 0.000 1.005 615 V HN 1.058 nan 8.190 nan 0.000 0.426 616 E N 3.269 123.377 120.200 -0.153 0.000 2.397 616 E HA 0.272 4.622 4.350 0.000 0.000 0.293 616 E C -0.347 176.066 176.600 -0.311 0.000 0.930 616 E CA -0.615 55.704 56.400 -0.135 0.000 0.793 616 E CB 2.378 32.137 29.700 0.098 0.000 1.259 616 E HN 0.551 nan 8.360 nan 0.000 0.406 617 V N 2.748 122.347 119.914 -0.524 0.000 3.299 617 V HA 0.287 4.407 4.120 0.000 0.000 0.369 617 V C -0.150 175.674 176.094 -0.451 0.000 1.245 617 V CA 0.350 62.183 62.300 -0.778 0.000 1.459 617 V CB -1.465 29.816 31.823 -0.904 0.000 1.203 617 V HN 0.415 nan 8.190 nan 0.000 0.451 618 L N 0.252 121.325 121.223 -0.250 0.000 2.251 618 L HA 0.898 5.238 4.340 0.000 0.000 0.244 618 L C 0.781 177.612 176.870 -0.065 0.000 1.095 618 L CA -0.403 54.345 54.840 -0.152 0.000 0.910 618 L CB 1.160 43.174 42.059 -0.075 0.000 1.516 618 L HN 0.158 nan 8.230 nan 0.000 0.429 619 A N -0.522 122.277 122.820 -0.036 0.000 2.587 619 A HA 0.264 4.584 4.320 0.000 0.000 0.233 619 A C 0.934 178.602 177.584 0.139 0.000 1.049 619 A CA 0.772 52.814 52.037 0.009 0.000 0.754 619 A CB -0.260 18.732 19.000 -0.014 0.000 0.977 619 A HN 0.841 nan 8.150 nan 0.000 0.509 620 T N -1.173 113.467 114.554 0.144 0.000 3.086 620 T HA 0.004 4.354 4.350 0.000 0.000 0.250 620 T C 1.427 176.297 174.700 0.284 0.000 1.074 620 T CA 0.888 63.151 62.100 0.271 0.000 0.988 620 T CB -0.684 68.273 68.868 0.148 0.000 0.988 620 T HN 0.970 nan 8.240 nan 0.000 0.530 621 T N 0.452 115.101 114.554 0.159 0.000 2.833 621 T HA -0.169 4.181 4.350 0.000 0.000 0.269 621 T C 2.209 176.964 174.700 0.092 0.000 1.054 621 T CA 1.229 63.386 62.100 0.095 0.000 1.135 621 T CB -1.407 67.480 68.868 0.032 0.000 0.869 621 T HN 0.754 nan 8.240 nan 0.000 0.466 622 C N -1.765 117.585 119.300 0.083 0.000 2.539 622 C HA 0.362 4.822 4.460 0.000 0.000 0.268 622 C C 2.069 177.065 174.990 0.010 0.000 1.395 622 C CA -1.314 57.708 59.018 0.007 0.000 1.757 622 C CB -2.321 25.373 27.740 -0.076 0.000 1.851 622 C HN 0.645 nan 8.230 nan 0.000 0.545 623 W N 1.683 123.050 121.300 0.112 0.000 3.047 623 W HA 0.260 4.920 4.660 0.000 0.000 0.250 623 W C 2.388 178.895 176.519 -0.019 0.000 1.314 623 W CA 0.503 57.905 57.345 0.095 0.000 1.540 623 W CB -0.368 29.176 29.460 0.139 0.000 1.127 623 W HN 0.444 nan 8.180 nan 0.000 0.679 624 G N 1.589 110.479 108.800 0.151 0.000 2.462 624 G HA2 -0.308 3.652 3.960 0.000 0.000 0.220 624 G HA3 -0.308 3.652 3.960 0.000 0.000 0.220 624 G C 1.520 176.376 174.900 -0.074 0.000 1.121 624 G CA 1.162 46.289 45.100 0.045 0.000 0.758 624 G HN 0.417 nan 8.290 nan 0.000 0.559 625 K N -1.038 119.226 120.400 -0.227 0.000 2.442 625 K HA 0.019 4.339 4.320 0.000 0.000 0.198 625 K C 1.141 177.457 176.600 -0.473 0.000 1.042 625 K CA 0.908 56.938 56.287 -0.427 0.000 0.958 625 K CB -0.141 31.969 32.500 -0.651 0.000 0.766 625 K HN 0.417 nan 8.250 nan 0.000 0.474 626 Y N 0.130 120.407 120.300 -0.039 0.000 2.441 626 Y HA 0.423 4.974 4.550 0.000 0.000 0.266 626 Y C 0.649 176.531 175.900 -0.029 0.000 1.093 626 Y CA -0.615 57.466 58.100 -0.031 0.000 1.246 626 Y CB 0.902 39.344 38.460 -0.029 0.000 1.262 626 Y HN 0.123 nan 8.280 nan 0.000 0.518 627 A N -1.033 121.874 122.820 0.145 0.000 2.401 627 A HA 0.571 4.891 4.320 0.000 0.000 0.310 627 A C -0.436 177.115 177.584 -0.055 0.000 1.075 627 A CA -0.476 51.580 52.037 0.032 0.000 0.746 627 A CB 0.610 19.683 19.000 0.123 0.000 1.277 627 A HN 0.363 nan 8.150 nan 0.000 0.425 628 H N 0.071 119.184 119.070 0.071 0.000 2.372 628 H HA 0.067 4.623 4.556 0.000 0.000 0.301 628 H C 0.260 175.678 175.328 0.151 0.000 1.065 628 H CA 1.522 57.623 56.048 0.088 0.000 1.364 628 H CB 0.285 30.034 29.762 -0.023 0.000 1.406 628 H HN 0.497 nan 8.280 nan 0.000 0.521 629 Q N -0.012 119.930 119.800 0.237 0.000 2.433 629 Q HA 0.500 4.840 4.340 0.000 0.000 0.279 629 Q C -1.007 175.028 176.000 0.059 0.000 1.105 629 Q CA -0.605 55.277 55.803 0.131 0.000 0.815 629 Q CB 2.864 31.663 28.738 0.102 0.000 1.403 629 Q HN 0.041 nan 8.270 nan 0.000 0.435 630 S N 1.286 117.005 115.700 0.033 0.000 2.647 630 S HA 0.493 4.963 4.470 0.000 0.000 0.300 630 S C -1.291 173.355 174.600 0.077 0.000 1.129 630 S CA -0.544 57.649 58.200 -0.011 0.000 1.029 630 S CB 0.766 63.963 63.200 -0.005 0.000 1.007 630 S HN 0.444 nan 8.310 nan 0.000 0.484 631 F N 3.634 123.515 119.950 -0.114 0.000 2.334 631 F HA 0.752 5.279 4.527 0.000 0.000 0.367 631 F C 0.437 176.301 175.800 0.107 0.000 1.115 631 F CA -0.744 57.224 58.000 -0.053 0.000 1.116 631 F CB 0.131 39.061 39.000 -0.117 0.000 1.230 631 F HN 0.672 nan 8.300 nan 0.000 0.484 632 G N 5.420 114.311 108.800 0.151 0.000 3.085 632 G HA2 0.589 4.549 3.960 0.000 0.000 0.264 632 G HA3 0.589 4.549 3.960 0.000 0.000 0.264 632 G C -1.569 173.379 174.900 0.081 0.000 1.206 632 G CA -0.779 44.370 45.100 0.082 0.000 0.809 632 G HN 0.386 nan 8.290 nan 0.000 0.592 633 I N 1.186 121.721 120.570 -0.058 0.000 2.468 633 I HA 0.293 4.463 4.170 0.000 0.000 0.284 633 I C -1.023 175.027 176.117 -0.112 0.000 1.038 633 I CA -0.473 60.757 61.300 -0.117 0.000 1.083 633 I CB 2.238 39.995 38.000 -0.406 0.000 1.223 633 I HN 0.289 nan 8.210 nan 0.000 0.443 634 D N 6.534 126.902 120.400 -0.055 0.000 2.738 634 D HA 0.162 4.802 4.640 0.000 0.000 0.246 634 D C 0.060 176.283 176.300 -0.129 0.000 1.270 634 D CA -0.084 53.864 54.000 -0.088 0.000 0.833 634 D CB 0.434 41.210 40.800 -0.039 0.000 1.040 634 D HN 0.501 nan 8.370 nan 0.000 0.487 635 R N -1.593 118.822 120.500 -0.141 0.000 2.817 635 R HA 0.552 4.892 4.340 0.000 0.000 0.268 635 R C -0.540 175.630 176.300 -0.217 0.000 1.027 635 R CA -0.762 55.240 56.100 -0.164 0.000 0.928 635 R CB 0.109 30.444 30.300 0.059 0.000 1.228 635 R HN -0.332 nan 8.270 nan 0.000 0.469 636 F N 0.231 120.224 119.950 0.072 0.000 2.485 636 F HA 0.402 4.929 4.527 0.000 0.000 0.327 636 F C 1.905 177.772 175.800 0.111 0.000 1.203 636 F CA 1.228 59.261 58.000 0.054 0.000 1.295 636 F CB 0.281 39.317 39.000 0.059 0.000 1.191 636 F HN 0.783 nan 8.300 nan 0.000 0.588 637 G N -0.186 108.779 108.800 0.275 0.000 2.529 637 G HA2 0.510 4.470 3.960 0.000 0.000 0.234 637 G HA3 0.510 4.470 3.960 0.000 0.000 0.234 637 G C -1.287 173.801 174.900 0.313 0.000 1.527 637 G CA 0.110 45.359 45.100 0.249 0.000 1.062 637 G HN 0.951 nan 8.290 nan 0.000 0.558 638 A N -1.765 121.180 122.820 0.208 0.000 2.566 638 A HA 0.581 4.901 4.320 0.000 0.000 0.297 638 A C -0.356 177.229 177.584 0.002 0.000 1.059 638 A CA -0.016 52.058 52.037 0.062 0.000 0.691 638 A CB 1.278 20.212 19.000 -0.111 0.000 1.282 638 A HN 1.260 nan 8.150 nan 0.000 0.401 639 S N 1.045 116.726 115.700 -0.032 0.000 2.422 639 S HA 0.644 5.115 4.470 0.000 0.000 0.283 639 S C 0.381 174.942 174.600 -0.065 0.000 1.163 639 S CA 0.676 58.853 58.200 -0.038 0.000 1.054 639 S CB -0.194 62.987 63.200 -0.032 0.000 0.967 639 S HN 2.237 nan 8.310 nan 0.000 0.499 640 G N 3.875 112.645 108.800 -0.049 0.000 2.441 640 G HA2 0.294 4.254 3.960 0.000 0.000 0.294 640 G HA3 0.294 4.254 3.960 0.000 0.000 0.294 640 G C -1.843 173.048 174.900 -0.015 0.000 1.393 640 G CA -1.025 44.047 45.100 -0.046 0.000 0.796 640 G HN 0.622 nan 8.290 nan 0.000 0.494 641 K N 0.706 121.107 120.400 0.001 0.000 2.416 641 K HA 0.393 4.714 4.320 0.000 0.000 0.283 641 K C 1.498 178.138 176.600 0.068 0.000 1.037 641 K CA 0.351 56.655 56.287 0.028 0.000 0.995 641 K CB 1.597 34.115 32.500 0.031 0.000 0.938 641 K HN 0.630 nan 8.250 nan 0.000 0.475 642 A N 6.505 129.379 122.820 0.091 0.000 1.903 642 A HA -0.169 4.151 4.320 0.000 0.000 0.219 642 A C -0.566 177.230 177.584 0.353 0.000 1.191 642 A CA 1.529 53.679 52.037 0.189 0.000 0.638 642 A CB -1.361 17.769 19.000 0.216 0.000 0.823 642 A HN 0.641 nan 8.150 nan 0.000 0.451 643 P HA -0.175 nan 4.420 nan 0.000 0.216 643 P C 1.146 178.594 177.300 0.247 0.000 1.150 643 P CA 1.659 64.898 63.100 0.232 0.000 0.843 643 P CB -0.126 31.638 31.700 0.108 0.000 0.787 644 E N -0.700 119.603 120.200 0.172 0.000 2.072 644 E HA -0.097 4.253 4.350 0.000 0.000 0.191 644 E C 1.975 178.680 176.600 0.175 0.000 0.985 644 E CA 1.022 57.505 56.400 0.139 0.000 0.801 644 E CB -0.508 29.231 29.700 0.065 0.000 0.750 644 E HN 0.063 nan 8.360 nan 0.000 0.452 645 V N 0.839 120.851 119.914 0.163 0.000 2.307 645 V HA -0.238 3.882 4.120 0.000 0.000 0.245 645 V C 1.966 178.263 176.094 0.337 0.000 1.045 645 V CA 1.600 64.012 62.300 0.187 0.000 1.024 645 V CB -0.610 31.264 31.823 0.086 0.000 0.651 645 V HN 0.161 nan 8.190 nan 0.000 0.449 646 F N 0.587 120.700 119.950 0.272 0.000 2.091 646 F HA -0.190 4.337 4.527 0.000 0.000 0.299 646 F C 2.501 178.513 175.800 0.354 0.000 1.103 646 F CA 1.822 60.002 58.000 0.301 0.000 1.228 646 F CB -0.467 38.640 39.000 0.177 0.000 0.984 646 F HN 0.008 nan 8.300 nan 0.000 0.477 647 K N -0.594 120.074 120.400 0.445 0.000 2.032 647 K HA -0.250 4.070 4.320 0.000 0.000 0.209 647 K C 2.133 178.885 176.600 0.253 0.000 1.048 647 K CA 1.960 58.426 56.287 0.297 0.000 0.927 647 K CB -0.897 31.734 32.500 0.218 0.000 0.712 647 K HN 0.249 nan 8.250 nan 0.000 0.441 648 F N 0.753 120.738 119.950 0.058 0.000 2.161 648 F HA -0.197 4.330 4.527 0.000 0.000 0.300 648 F C 1.641 177.334 175.800 -0.177 0.000 1.089 648 F CA 1.420 59.348 58.000 -0.120 0.000 1.282 648 F CB -0.189 38.656 39.000 -0.258 0.000 1.010 648 F HN -0.090 nan 8.300 nan 0.000 0.485 649 F N 0.440 120.495 119.950 0.175 0.000 2.811 649 F HA 0.261 4.788 4.527 0.000 0.000 0.301 649 F C 1.985 177.858 175.800 0.122 0.000 1.151 649 F CA 0.783 58.857 58.000 0.123 0.000 1.412 649 F CB -0.295 38.886 39.000 0.302 0.000 1.113 649 F HN 0.155 nan 8.300 nan 0.000 0.579 650 G N -0.529 108.421 108.800 0.250 0.000 2.157 650 G HA2 -0.305 3.655 3.960 0.000 0.000 0.239 650 G HA3 -0.305 3.655 3.960 0.000 0.000 0.239 650 G C 0.241 175.251 174.900 0.183 0.000 0.982 650 G CA -0.516 44.684 45.100 0.166 0.000 0.650 650 G HN 0.218 nan 8.290 nan 0.000 0.527 651 F N 3.041 123.186 119.950 0.324 0.000 2.626 651 F HA 0.475 5.002 4.527 0.000 0.000 0.353 651 F C 1.323 177.260 175.800 0.228 0.000 1.230 651 F CA 0.718 58.881 58.000 0.272 0.000 1.298 651 F CB 0.269 39.409 39.000 0.233 0.000 1.670 651 F HN 0.249 nan 8.300 nan 0.000 0.633 652 T N -2.051 112.663 114.554 0.268 0.000 2.924 652 T HA 0.411 4.761 4.350 0.000 0.000 0.291 652 T C -2.099 172.672 174.700 0.118 0.000 1.045 652 T CA -2.434 59.763 62.100 0.161 0.000 1.015 652 T CB 2.277 71.215 68.868 0.115 0.000 1.103 652 T HN -0.122 nan 8.240 nan 0.000 0.496 653 P HA -0.090 nan 4.420 nan 0.000 0.215 653 P C 1.263 178.581 177.300 0.031 0.000 1.157 653 P CA 1.241 64.371 63.100 0.050 0.000 0.874 653 P CB 0.135 31.853 31.700 0.030 0.000 0.790 654 E N -1.054 119.158 120.200 0.020 0.000 2.107 654 E HA -0.071 4.279 4.350 0.000 0.000 0.191 654 E C 2.290 178.873 176.600 -0.028 0.000 0.982 654 E CA 1.050 57.447 56.400 -0.004 0.000 0.809 654 E CB -0.831 28.866 29.700 -0.005 0.000 0.756 654 E HN 0.222 nan 8.360 nan 0.000 0.459 655 G N 0.711 109.503 108.800 -0.014 0.000 2.418 655 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 655 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 655 G C 1.701 176.506 174.900 -0.159 0.000 1.158 655 G CA 0.834 45.890 45.100 -0.073 0.000 0.771 655 G HN 0.120 nan 8.290 nan 0.000 0.545 656 V N 1.563 121.471 119.914 -0.009 0.000 2.270 656 V HA -0.085 4.035 4.120 0.000 0.000 0.245 656 V C 3.344 179.398 176.094 -0.067 0.000 1.043 656 V CA 1.949 64.251 62.300 0.004 0.000 1.014 656 V CB -0.997 30.915 31.823 0.148 0.000 0.645 656 V HN 0.462 nan 8.190 nan 0.000 0.447 657 A N -0.352 122.447 122.820 -0.036 0.000 1.948 657 A HA -0.318 4.002 4.320 0.000 0.000 0.220 657 A C 2.305 179.845 177.584 -0.075 0.000 1.177 657 A CA 2.240 54.252 52.037 -0.042 0.000 0.636 657 A CB -0.566 18.420 19.000 -0.024 0.000 0.815 657 A HN 0.661 nan 8.150 nan 0.000 0.449 658 E N -0.320 119.816 120.200 -0.107 0.000 2.072 658 E HA -0.205 4.146 4.350 0.000 0.000 0.191 658 E C 2.231 178.728 176.600 -0.173 0.000 0.985 658 E CA 1.006 57.329 56.400 -0.128 0.000 0.801 658 E CB -0.139 29.477 29.700 -0.139 0.000 0.750 658 E HN 0.619 nan 8.360 nan 0.000 0.452 659 R N -0.084 120.257 120.500 -0.266 0.000 2.120 659 R HA -0.079 4.261 4.340 0.000 0.000 0.234 659 R C 2.340 178.538 176.300 -0.170 0.000 1.123 659 R CA 0.935 56.853 56.100 -0.302 0.000 0.975 659 R CB -0.179 29.784 30.300 -0.561 0.000 0.866 659 R HN 0.171 nan 8.270 nan 0.000 0.446 660 A N 1.005 123.757 122.820 -0.114 0.000 1.872 660 A HA -0.180 4.140 4.320 0.000 0.000 0.214 660 A C 2.012 179.580 177.584 -0.028 0.000 1.187 660 A CA 0.995 53.004 52.037 -0.046 0.000 0.614 660 A CB -0.317 18.667 19.000 -0.027 0.000 0.826 660 A HN 0.281 nan 8.150 nan 0.000 0.442 661 Q N -0.284 119.490 119.800 -0.044 0.000 2.096 661 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 661 Q C 1.904 177.886 176.000 -0.030 0.000 0.982 661 Q CA 1.500 57.285 55.803 -0.031 0.000 0.850 661 Q CB -0.182 28.532 28.738 -0.040 0.000 0.901 661 Q HN 0.464 nan 8.270 nan 0.000 0.422 662 K N -0.043 120.321 120.400 -0.060 0.000 2.097 662 K HA -0.071 4.249 4.320 0.000 0.000 0.206 662 K C 2.070 178.654 176.600 -0.026 0.000 1.049 662 K CA 1.318 57.569 56.287 -0.059 0.000 0.933 662 K CB -0.638 31.793 32.500 -0.115 0.000 0.717 662 K HN 0.212 nan 8.250 nan 0.000 0.442 663 T N 2.276 116.821 114.554 -0.017 0.000 2.737 663 T HA -0.027 4.323 4.350 0.000 0.000 0.265 663 T C 2.140 176.941 174.700 0.169 0.000 1.038 663 T CA 0.975 63.115 62.100 0.067 0.000 1.144 663 T CB -0.201 68.731 68.868 0.107 0.000 0.866 663 T HN 0.106 nan 8.240 nan 0.000 0.434 664 I N 1.518 122.156 120.570 0.113 0.000 2.127 664 I HA -0.230 3.940 4.170 0.000 0.000 0.241 664 I C 2.997 179.165 176.117 0.085 0.000 1.075 664 I CA 1.310 62.674 61.300 0.107 0.000 1.334 664 I CB -0.602 37.429 38.000 0.052 0.000 1.040 664 I HN 0.202 nan 8.210 nan 0.000 0.405 665 A N 0.673 123.522 122.820 0.048 0.000 1.883 665 A HA -0.295 4.025 4.320 0.000 0.000 0.217 665 A C 2.263 179.860 177.584 0.022 0.000 1.186 665 A CA 1.778 53.830 52.037 0.025 0.000 0.624 665 A CB -1.157 17.851 19.000 0.013 0.000 0.822 665 A HN 0.472 nan 8.150 nan 0.000 0.444 666 F N -1.122 118.731 119.950 -0.161 0.000 2.202 666 F HA -0.173 4.354 4.527 0.000 0.000 0.301 666 F C 1.712 177.307 175.800 -0.342 0.000 1.082 666 F CA 1.622 59.446 58.000 -0.294 0.000 1.313 666 F CB -0.121 38.608 39.000 -0.453 0.000 1.024 666 F HN 0.312 nan 8.300 nan 0.000 0.495 667 Y N -0.369 119.931 120.300 0.001 0.000 2.458 667 Y HA 0.210 4.760 4.550 0.000 0.000 0.254 667 Y C 0.820 176.655 175.900 -0.109 0.000 1.120 667 Y CA -0.388 57.647 58.100 -0.108 0.000 1.282 667 Y CB -0.521 37.916 38.460 -0.038 0.000 1.109 667 Y HN -0.274 nan 8.280 nan 0.000 0.526 668 K N 0.820 121.242 120.400 0.038 0.000 2.473 668 K HA 0.185 4.505 4.320 0.000 0.000 0.277 668 K C 1.214 177.802 176.600 -0.020 0.000 1.052 668 K CA 1.440 57.733 56.287 0.010 0.000 1.114 668 K CB -0.425 32.072 32.500 -0.006 0.000 0.869 668 K HN 0.500 nan 8.250 nan 0.000 0.481 669 G N 2.986 111.779 108.800 -0.012 0.000 2.217 669 G HA2 -0.229 3.731 3.960 0.000 0.000 0.246 669 G HA3 -0.229 3.731 3.960 0.000 0.000 0.246 669 G C -0.412 174.474 174.900 -0.024 0.000 0.990 669 G CA 0.185 45.271 45.100 -0.023 0.000 0.627 669 G HN 0.667 nan 8.290 nan 0.000 0.522 670 D N 0.528 120.919 120.400 -0.014 0.000 2.253 670 D HA 0.552 5.192 4.640 0.000 0.000 0.249 670 D C 0.485 176.766 176.300 -0.031 0.000 1.049 670 D CA -0.110 53.882 54.000 -0.014 0.000 0.929 670 D CB 1.465 42.279 40.800 0.022 0.000 1.176 670 D HN 0.469 nan 8.370 nan 0.000 0.437 671 K N 1.332 121.709 120.400 -0.038 0.000 2.234 671 K HA 0.417 4.737 4.320 0.000 0.000 0.277 671 K C -1.292 175.259 176.600 -0.082 0.000 1.038 671 K CA -0.333 55.923 56.287 -0.051 0.000 0.888 671 K CB 0.394 32.876 32.500 -0.030 0.000 1.091 671 K HN 0.334 nan 8.250 nan 0.000 0.467 672 L N 5.081 126.227 121.223 -0.129 0.000 2.322 672 L HA 0.520 4.860 4.340 0.000 0.000 0.279 672 L C -0.148 176.690 176.870 -0.054 0.000 1.036 672 L CA -1.031 53.696 54.840 -0.188 0.000 0.807 672 L CB 1.285 43.084 42.059 -0.434 0.000 1.226 672 L HN 0.616 nan 8.230 nan 0.000 0.433 673 I N 1.398 121.982 120.570 0.023 0.000 2.359 673 I HA 0.140 4.310 4.170 0.000 0.000 0.294 673 I C 0.591 176.789 176.117 0.135 0.000 0.987 673 I CA -0.286 61.051 61.300 0.062 0.000 1.225 673 I CB 1.941 39.965 38.000 0.041 0.000 1.366 673 I HN 0.567 nan 8.210 nan 0.000 0.466 674 S N 7.125 122.868 115.700 0.073 0.000 2.575 674 S HA 0.044 4.514 4.470 0.000 0.000 0.295 674 S C -1.416 173.162 174.600 -0.037 0.000 1.267 674 S CA -0.811 57.404 58.200 0.026 0.000 1.074 674 S CB 0.548 63.758 63.200 0.015 0.000 0.829 674 S HN 0.382 nan 8.310 nan 0.000 0.497 675 P HA -0.130 nan 4.420 nan 0.000 0.218 675 P C 1.190 178.446 177.300 -0.074 0.000 1.146 675 P CA 1.078 64.096 63.100 -0.136 0.000 0.820 675 P CB 0.037 31.619 31.700 -0.197 0.000 0.778 676 L N -1.343 119.868 121.223 -0.021 0.000 2.127 676 L HA -0.148 4.192 4.340 0.000 0.000 0.211 676 L C 0.994 177.831 176.870 -0.055 0.000 1.089 676 L CA 1.138 55.971 54.840 -0.012 0.000 0.757 676 L CB -0.834 41.243 42.059 0.031 0.000 0.899 676 L HN -0.022 nan 8.230 nan 0.000 0.434 677 K N 1.603 121.971 120.400 -0.054 0.000 2.363 677 K HA 0.094 4.414 4.320 0.000 0.000 0.289 677 K C -0.289 176.248 176.600 -0.105 0.000 1.063 677 K CA -0.095 56.153 56.287 -0.066 0.000 0.967 677 K CB 0.455 32.929 32.500 -0.042 0.000 0.987 677 K HN -0.115 nan 8.250 nan 0.000 0.473 678 K N 1.444 121.762 120.400 -0.137 0.000 2.118 678 K HA 0.239 4.559 4.320 0.000 0.000 0.267 678 K C 0.565 177.037 176.600 -0.214 0.000 0.991 678 K CA -0.391 55.757 56.287 -0.233 0.000 0.916 678 K CB 1.692 34.030 32.500 -0.270 0.000 1.041 678 K HN 0.595 nan 8.250 nan 0.000 0.455 679 A N 2.193 124.825 122.820 -0.313 0.000 2.195 679 A HA 0.131 4.451 4.320 0.000 0.000 0.210 679 A C 0.303 177.904 177.584 0.029 0.000 1.165 679 A CA 0.308 52.264 52.037 -0.136 0.000 0.806 679 A CB -0.152 18.820 19.000 -0.047 0.000 0.847 679 A HN 0.452 nan 8.150 nan 0.000 0.482 680 F N 0.000 119.948 119.950 -0.004 0.000 2.286 680 F HA 0.000 4.527 4.527 0.000 0.000 0.279 680 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 680 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 680 F HN 0.000 nan 8.300 nan 0.000 0.574