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 2w93_1_C DATA FIRST_RESID 2 DATA SEQUENCE SEITLGKYLF ERLKQVNVNT VFGLPGDFNL SLLDKIYEVE GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARIKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSISSQAKQL LLHHTLGNGD FTVFHRMSAN ISETTAMITD IATAPAEIDR DATA SEQUENCE CIRTTYVTQR PVYLGLPANL VDLNVPAKLL QTPIDMSLKP NDAESEKEVI DATA SEQUENCE DTILALVKDA KNPVILADAC CSRHDVKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE IDEQHPRYGG VYVGTLSKPE VKEAVESADL ILSVGALLSD FNTGSFSYSY DATA SEQUENCE KTKNIVEFHS DHMKIRNATF PGVQMKFVLQ KLLTNIADAA KGYKPVAVPA DATA SEQUENCE RTPANAAVPA STPLKQEWMW NQLGNFLQEG DVVIAETGTS AFGINQTTFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIQKLIH GPKAQYNEIQ GWDHLSLLPT DATA SEQUENCE FGAKDYETHR VATTGEWDKL TQDKSFNDNS KIRMIEVMLP VFDAPQNLVE DATA SEQUENCE QAKLTAA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.615 174.600 0.025 0.000 1.055 2 S CA 0.000 58.213 58.200 0.022 0.000 1.107 2 S CB 0.000 63.210 63.200 0.016 0.000 0.593 3 E N 1.167 121.382 120.200 0.025 0.000 2.207 3 E HA 0.728 5.056 4.350 -0.037 0.000 0.270 3 E C -1.255 175.367 176.600 0.037 0.000 0.927 3 E CA -0.466 55.950 56.400 0.026 0.000 0.799 3 E CB 2.814 32.523 29.700 0.015 0.000 1.172 3 E HN 0.522 nan 8.360 nan 0.000 0.404 4 I N 0.860 121.460 120.570 0.048 0.000 2.686 4 I HA 0.216 4.364 4.170 -0.037 0.000 0.295 4 I C 0.014 176.167 176.117 0.061 0.000 1.114 4 I CA -0.494 60.847 61.300 0.069 0.000 1.038 4 I CB 1.914 39.980 38.000 0.111 0.000 1.238 4 I HN 0.521 nan 8.210 nan 0.000 0.420 5 T N 3.675 118.266 114.554 0.061 0.000 2.900 5 T HA 0.060 4.388 4.350 -0.037 0.000 0.307 5 T C 1.045 175.782 174.700 0.062 0.000 1.065 5 T CA -0.433 61.695 62.100 0.047 0.000 1.105 5 T CB 1.047 69.944 68.868 0.049 0.000 0.979 5 T HN 0.600 nan 8.240 nan 0.000 0.544 6 L N 2.720 123.952 121.223 0.015 0.000 2.042 6 L HA 0.117 4.435 4.340 -0.037 0.000 0.210 6 L C 2.520 179.414 176.870 0.041 0.000 1.076 6 L CA 2.530 57.367 54.840 -0.006 0.000 0.749 6 L CB -1.391 40.635 42.059 -0.055 0.000 0.893 6 L HN 0.988 nan 8.230 nan 0.000 0.432 7 G N -1.048 107.774 108.800 0.037 0.000 2.421 7 G HA2 -0.329 3.609 3.960 -0.037 0.000 0.216 7 G HA3 -0.329 3.609 3.960 -0.037 0.000 0.216 7 G C 1.727 176.685 174.900 0.097 0.000 1.171 7 G CA 0.825 45.947 45.100 0.038 0.000 0.775 7 G HN 0.428 nan 8.290 nan 0.000 0.543 8 K N -0.705 119.792 120.400 0.161 0.000 2.097 8 K HA -0.154 4.144 4.320 -0.037 0.000 0.206 8 K C 2.142 178.827 176.600 0.142 0.000 1.049 8 K CA 1.143 57.548 56.287 0.197 0.000 0.933 8 K CB -0.367 32.216 32.500 0.139 0.000 0.717 8 K HN 0.367 nan 8.250 nan 0.000 0.442 9 Y N 1.254 121.549 120.300 -0.008 0.000 2.151 9 Y HA -0.301 4.226 4.550 -0.037 0.000 0.284 9 Y C 1.927 177.773 175.900 -0.090 0.000 1.166 9 Y CA 1.705 59.783 58.100 -0.036 0.000 1.163 9 Y CB -0.320 38.114 38.460 -0.043 0.000 0.974 9 Y HN 0.137 nan 8.280 nan 0.000 0.511 10 L N -0.513 120.686 121.223 -0.039 0.000 2.012 10 L HA -0.217 4.101 4.340 -0.037 0.000 0.210 10 L C 1.959 178.602 176.870 -0.379 0.000 1.073 10 L CA 1.965 56.634 54.840 -0.286 0.000 0.748 10 L CB -1.137 40.593 42.059 -0.549 0.000 0.891 10 L HN 0.216 nan 8.230 nan 0.000 0.431 11 F N -0.041 119.877 119.950 -0.053 0.000 2.259 11 F HA -0.071 4.434 4.527 -0.036 0.000 0.298 11 F C 2.508 178.246 175.800 -0.103 0.000 1.088 11 F CA 0.951 58.904 58.000 -0.079 0.000 1.358 11 F CB -0.746 38.204 39.000 -0.083 0.000 1.040 11 F HN 0.125 nan 8.300 nan 0.000 0.505 12 E N 0.230 120.437 120.200 0.012 0.000 2.077 12 E HA -0.161 4.166 4.350 -0.037 0.000 0.193 12 E C 2.399 178.911 176.600 -0.147 0.000 0.989 12 E CA 0.776 57.132 56.400 -0.072 0.000 0.800 12 E CB -0.255 29.376 29.700 -0.115 0.000 0.746 12 E HN 0.273 nan 8.360 nan 0.000 0.452 13 R N 0.580 120.923 120.500 -0.260 0.000 2.075 13 R HA -0.016 4.302 4.340 -0.037 0.000 0.232 13 R C 2.636 178.864 176.300 -0.119 0.000 1.126 13 R CA 0.540 56.495 56.100 -0.242 0.000 0.963 13 R CB -0.959 29.153 30.300 -0.315 0.000 0.858 13 R HN 0.245 nan 8.270 nan 0.000 0.435 14 L N 0.835 122.010 121.223 -0.079 0.000 2.042 14 L HA -0.201 4.116 4.340 -0.037 0.000 0.210 14 L C 2.686 179.553 176.870 -0.006 0.000 1.076 14 L CA 1.560 56.391 54.840 -0.016 0.000 0.749 14 L CB -0.473 41.611 42.059 0.041 0.000 0.893 14 L HN 0.196 nan 8.230 nan 0.000 0.432 15 K N 0.199 120.596 120.400 -0.005 0.000 2.063 15 K HA -0.241 4.057 4.320 -0.037 0.000 0.208 15 K C 2.070 178.651 176.600 -0.032 0.000 1.048 15 K CA 1.578 57.858 56.287 -0.013 0.000 0.928 15 K CB -0.047 32.447 32.500 -0.011 0.000 0.713 15 K HN 0.374 nan 8.250 nan 0.000 0.442 16 Q N 0.130 119.898 119.800 -0.053 0.000 2.226 16 Q HA -0.101 4.217 4.340 -0.037 0.000 0.204 16 Q C 1.636 177.595 176.000 -0.069 0.000 0.975 16 Q CA 1.486 57.252 55.803 -0.061 0.000 0.866 16 Q CB 0.117 28.808 28.738 -0.077 0.000 0.915 16 Q HN 0.371 nan 8.270 nan 0.000 0.440 17 V N -2.575 117.296 119.914 -0.072 0.000 3.249 17 V HA 0.272 4.370 4.120 -0.037 0.000 0.338 17 V C 0.145 176.188 176.094 -0.086 0.000 1.363 17 V CA 0.065 62.299 62.300 -0.110 0.000 1.205 17 V CB -0.178 31.572 31.823 -0.122 0.000 1.164 17 V HN 0.339 nan 8.190 nan 0.000 0.458 18 N N -0.307 118.368 118.700 -0.042 0.000 2.818 18 N HA -0.158 4.560 4.740 -0.037 0.000 0.250 18 N C -0.335 175.215 175.510 0.067 0.000 1.108 18 N CA 1.044 54.088 53.050 -0.010 0.000 0.745 18 N CB -1.560 36.900 38.487 -0.045 0.000 1.104 18 N HN 0.535 nan 8.380 nan 0.000 0.557 19 V N 1.276 121.239 119.914 0.081 0.000 2.320 19 V HA 0.280 4.378 4.120 -0.037 0.000 0.265 19 V C 0.989 177.113 176.094 0.050 0.000 1.048 19 V CA -0.245 62.145 62.300 0.150 0.000 0.865 19 V CB 1.145 33.036 31.823 0.114 0.000 1.043 19 V HN 0.284 nan 8.190 nan 0.000 0.474 20 N N 2.029 120.763 118.700 0.058 0.000 2.197 20 N HA 0.118 4.836 4.740 -0.037 0.000 0.201 20 N C 0.116 175.465 175.510 -0.269 0.000 1.148 20 N CA 0.041 53.053 53.050 -0.063 0.000 0.883 20 N CB 0.928 39.416 38.487 0.000 0.000 1.012 20 N HN 0.577 nan 8.380 nan 0.000 0.507 21 T N 0.540 114.790 114.554 -0.506 0.000 2.861 21 T HA 0.504 4.832 4.350 -0.037 0.000 0.287 21 T C -0.829 173.258 174.700 -1.021 0.000 1.003 21 T CA -0.503 61.039 62.100 -0.931 0.000 0.977 21 T CB 2.566 70.623 68.868 -1.352 0.000 0.996 21 T HN -0.341 nan 8.240 nan 0.000 0.448 22 V N 3.804 123.188 119.914 -0.884 0.000 2.495 22 V HA 0.600 4.698 4.120 -0.037 0.000 0.298 22 V C -0.814 174.733 176.094 -0.911 0.000 1.031 22 V CA -0.857 61.110 62.300 -0.555 0.000 0.871 22 V CB 1.167 32.990 31.823 -0.000 0.000 0.988 22 V HN 0.759 nan 8.190 nan 0.000 0.432 23 F N 1.890 121.620 119.950 -0.366 0.000 2.411 23 F HA 0.936 5.441 4.527 -0.037 0.000 0.324 23 F C 0.991 176.541 175.800 -0.416 0.000 1.086 23 F CA 0.590 58.306 58.000 -0.473 0.000 1.028 23 F CB 1.644 40.478 39.000 -0.277 0.000 1.284 23 F HN 0.837 nan 8.300 nan 0.000 0.501 24 G N 0.112 108.778 108.800 -0.224 0.000 2.343 24 G HA2 0.254 4.192 3.960 -0.037 0.000 0.562 24 G HA3 0.254 4.192 3.960 -0.037 0.000 0.562 24 G C -2.359 172.579 174.900 0.064 0.000 1.269 24 G CA -1.183 43.931 45.100 0.024 0.000 1.011 24 G HN 0.554 nan 8.290 nan 0.000 0.498 25 L N 1.465 122.906 121.223 0.363 0.000 2.393 25 L HA 0.735 5.053 4.340 -0.037 0.000 0.260 25 L C -1.956 175.192 176.870 0.464 0.000 1.002 25 L CA -1.603 53.496 54.840 0.432 0.000 0.818 25 L CB 2.621 44.810 42.059 0.218 0.000 1.369 25 L HN 0.568 nan 8.230 nan 0.000 0.412 26 P HA 0.463 nan 4.420 nan 0.000 0.274 26 P C -0.782 176.615 177.300 0.162 0.000 1.237 26 P CA -0.249 62.965 63.100 0.190 0.000 0.793 26 P CB 1.383 33.156 31.700 0.121 0.000 0.977 27 G N 0.400 109.279 108.800 0.131 0.000 2.646 27 G HA2 0.280 4.218 3.960 -0.037 0.000 0.291 27 G HA3 0.280 4.218 3.960 -0.037 0.000 0.291 27 G C 0.414 175.354 174.900 0.066 0.000 1.445 27 G CA -0.474 44.707 45.100 0.135 0.000 0.814 27 G HN 0.454 nan 8.290 nan 0.000 0.495 28 D N -0.128 120.245 120.400 -0.044 0.000 2.172 28 D HA -0.199 4.418 4.640 -0.037 0.000 0.196 28 D C 1.443 177.691 176.300 -0.086 0.000 0.999 28 D CA 1.420 55.330 54.000 -0.149 0.000 0.856 28 D CB -0.204 40.418 40.800 -0.295 0.000 0.934 28 D HN 0.220 nan 8.370 nan 0.000 0.453 29 F N 1.155 121.207 119.950 0.170 0.000 2.699 29 F HA 0.060 4.567 4.527 -0.034 0.000 0.298 29 F C 1.387 177.238 175.800 0.086 0.000 1.154 29 F CA 0.840 58.913 58.000 0.122 0.000 1.457 29 F CB -0.590 38.506 39.000 0.161 0.000 1.106 29 F HN 0.174 nan 8.300 nan 0.000 0.585 30 N N -1.045 117.783 118.700 0.212 0.000 2.143 30 N HA 0.054 4.772 4.740 -0.037 0.000 0.222 30 N C 0.992 176.524 175.510 0.036 0.000 1.264 30 N CA 0.154 53.279 53.050 0.124 0.000 0.897 30 N CB -0.858 37.706 38.487 0.127 0.000 1.092 30 N HN 0.211 nan 8.380 nan 0.000 0.516 31 L N -0.388 120.849 121.223 0.024 0.000 2.046 31 L HA -0.063 4.255 4.340 -0.037 0.000 0.208 31 L C 2.361 179.218 176.870 -0.021 0.000 1.077 31 L CA 1.541 56.367 54.840 -0.024 0.000 0.747 31 L CB -0.617 41.431 42.059 -0.018 0.000 0.896 31 L HN 0.307 nan 8.230 nan 0.000 0.432 32 S N 0.078 115.785 115.700 0.012 0.000 2.402 32 S HA -0.157 4.291 4.470 -0.037 0.000 0.229 32 S C 1.923 176.543 174.600 0.034 0.000 1.021 32 S CA 0.936 59.148 58.200 0.020 0.000 0.974 32 S CB -0.177 63.041 63.200 0.029 0.000 0.800 32 S HN 0.265 nan 8.310 nan 0.000 0.484 33 L N 1.875 123.124 121.223 0.045 0.000 2.012 33 L HA 0.027 4.345 4.340 -0.037 0.000 0.210 33 L C 2.106 179.037 176.870 0.101 0.000 1.073 33 L CA 1.797 56.696 54.840 0.098 0.000 0.748 33 L CB -0.753 41.361 42.059 0.090 0.000 0.891 33 L HN 0.385 nan 8.230 nan 0.000 0.431 34 L N -0.802 120.374 121.223 -0.078 0.000 2.131 34 L HA -0.224 4.094 4.340 -0.037 0.000 0.210 34 L C 2.211 178.906 176.870 -0.293 0.000 1.092 34 L CA 1.144 55.778 54.840 -0.343 0.000 0.759 34 L CB -0.984 40.729 42.059 -0.576 0.000 0.903 34 L HN 0.287 nan 8.230 nan 0.000 0.435 35 D N 0.392 120.750 120.400 -0.071 0.000 2.172 35 D HA -0.184 4.434 4.640 -0.037 0.000 0.196 35 D C 2.085 178.398 176.300 0.023 0.000 0.999 35 D CA 1.137 55.175 54.000 0.064 0.000 0.856 35 D CB -0.069 40.761 40.800 0.050 0.000 0.934 35 D HN 0.219 nan 8.370 nan 0.000 0.453 36 K N 0.249 120.627 120.400 -0.036 0.000 2.288 36 K HA 0.038 4.336 4.320 -0.037 0.000 0.201 36 K C 2.245 178.708 176.600 -0.229 0.000 1.048 36 K CA 0.042 56.339 56.287 0.017 0.000 0.956 36 K CB -0.057 32.591 32.500 0.246 0.000 0.746 36 K HN 0.322 nan 8.250 nan 0.000 0.461 37 I N 0.213 120.333 120.570 -0.750 0.000 2.286 37 I HA -0.279 3.869 4.170 -0.037 0.000 0.248 37 I C 1.609 177.359 176.117 -0.612 0.000 1.115 37 I CA 1.317 61.947 61.300 -1.117 0.000 1.392 37 I CB -0.346 36.827 38.000 -1.380 0.000 1.065 37 I HN 0.043 nan 8.210 nan 0.000 0.418 38 Y N 0.819 120.983 120.300 -0.227 0.000 2.571 38 Y HA -0.095 4.433 4.550 -0.036 0.000 0.294 38 Y C 2.110 177.964 175.900 -0.077 0.000 1.141 38 Y CA 0.571 58.599 58.100 -0.120 0.000 1.308 38 Y CB -0.579 37.825 38.460 -0.092 0.000 1.002 38 Y HN 0.243 nan 8.280 nan 0.000 0.551 39 E N -0.413 119.805 120.200 0.030 0.000 2.478 39 E HA 0.084 4.412 4.350 -0.037 0.000 0.194 39 E C -0.351 176.259 176.600 0.017 0.000 1.045 39 E CA 0.109 56.530 56.400 0.036 0.000 0.868 39 E CB 0.435 30.162 29.700 0.046 0.000 0.885 39 E HN 0.036 nan 8.360 nan 0.000 0.505 40 V N 2.392 122.296 119.914 -0.018 0.000 2.334 40 V HA 0.065 4.163 4.120 -0.037 0.000 0.281 40 V C 0.137 176.219 176.094 -0.020 0.000 1.016 40 V CA -0.751 61.544 62.300 -0.008 0.000 0.832 40 V CB 1.401 33.231 31.823 0.012 0.000 0.999 40 V HN 0.116 nan 8.190 nan 0.000 0.439 41 E N 3.222 123.420 120.200 -0.003 0.000 2.480 41 E HA 0.219 4.547 4.350 -0.037 0.000 0.258 41 E C 1.277 177.870 176.600 -0.012 0.000 0.984 41 E CA 1.227 57.627 56.400 -0.000 0.000 0.930 41 E CB 0.463 30.167 29.700 0.006 0.000 0.936 41 E HN 1.057 nan 8.360 nan 0.000 0.466 42 G N 4.076 112.869 108.800 -0.012 0.000 2.232 42 G HA2 -0.221 3.717 3.960 -0.037 0.000 0.226 42 G HA3 -0.221 3.717 3.960 -0.037 0.000 0.226 42 G C 0.317 175.180 174.900 -0.061 0.000 0.996 42 G CA 0.118 45.205 45.100 -0.023 0.000 0.626 42 G HN 0.458 nan 8.290 nan 0.000 0.509 43 M N 0.540 120.087 119.600 -0.089 0.000 2.235 43 M HA 0.541 4.999 4.480 -0.037 0.000 0.351 43 M C 0.541 176.716 176.300 -0.209 0.000 1.178 43 M CA -0.272 54.927 55.300 -0.168 0.000 1.143 43 M CB 1.259 33.733 32.600 -0.209 0.000 1.530 43 M HN 0.429 nan 8.290 nan 0.000 0.461 44 R N 2.408 122.724 120.500 -0.308 0.000 2.621 44 R HA 0.366 4.684 4.340 -0.037 0.000 0.292 44 R C -1.725 174.340 176.300 -0.391 0.000 0.969 44 R CA -0.550 55.341 56.100 -0.348 0.000 0.887 44 R CB 1.830 31.774 30.300 -0.595 0.000 1.180 44 R HN 0.873 nan 8.270 nan 0.000 0.450 45 W N 5.739 126.797 121.300 -0.403 0.000 2.316 45 W HA 0.350 4.987 4.660 -0.038 0.000 0.308 45 W C -0.149 176.241 176.519 -0.215 0.000 1.106 45 W CA -0.329 56.803 57.345 -0.356 0.000 1.262 45 W CB 1.628 30.947 29.460 -0.235 0.000 1.233 45 W HN 0.913 nan 8.180 nan 0.000 0.447 46 A N 4.692 126.917 122.820 -0.992 0.000 1.883 46 A HA 0.076 4.374 4.320 -0.037 0.000 0.217 46 A C 1.473 178.958 177.584 -0.165 0.000 1.186 46 A CA 1.721 53.350 52.037 -0.679 0.000 0.624 46 A CB -1.253 17.308 19.000 -0.732 0.000 0.822 46 A HN 1.558 nan 8.150 nan 0.000 0.444 47 G N -0.244 108.106 108.800 -0.749 0.000 2.470 47 G HA2 -0.201 3.737 3.960 -0.037 0.000 0.286 47 G HA3 -0.201 3.737 3.960 -0.037 0.000 0.286 47 G C -0.383 174.479 174.900 -0.063 0.000 1.115 47 G CA 0.172 45.133 45.100 -0.230 0.000 1.122 47 G HN 0.707 nan 8.290 nan 0.000 0.522 48 N N -0.395 118.218 118.700 -0.144 0.000 2.399 48 N HA 0.554 5.272 4.740 -0.037 0.000 0.250 48 N C 1.499 177.016 175.510 0.012 0.000 1.272 48 N CA 0.337 53.377 53.050 -0.016 0.000 0.928 48 N CB 0.732 39.212 38.487 -0.010 0.000 1.158 48 N HN 0.574 nan 8.380 nan 0.000 0.463 49 A N 0.461 123.283 122.820 0.003 0.000 2.147 49 A HA 0.081 4.379 4.320 -0.037 0.000 0.211 49 A C 0.131 177.715 177.584 -0.000 0.000 1.160 49 A CA 0.719 52.746 52.037 -0.017 0.000 0.781 49 A CB -0.578 18.374 19.000 -0.080 0.000 0.842 49 A HN 0.845 nan 8.150 nan 0.000 0.475 50 N N -2.578 116.127 118.700 0.007 0.000 2.927 50 N HA 0.274 4.992 4.740 -0.037 0.000 0.248 50 N C -0.450 175.056 175.510 -0.005 0.000 1.443 50 N CA -0.395 52.661 53.050 0.010 0.000 0.870 50 N CB 0.337 38.832 38.487 0.013 0.000 1.444 50 N HN -0.169 nan 8.380 nan 0.000 0.519 51 E N -0.248 119.946 120.200 -0.011 0.000 2.152 51 E HA 0.027 4.355 4.350 -0.037 0.000 0.192 51 E C 1.403 177.937 176.600 -0.109 0.000 0.983 51 E CA 0.723 57.104 56.400 -0.033 0.000 0.818 51 E CB -0.131 29.564 29.700 -0.010 0.000 0.758 51 E HN 0.517 nan 8.360 nan 0.000 0.467 52 L N 1.171 122.312 121.223 -0.137 0.000 2.017 52 L HA -0.168 4.149 4.340 -0.037 0.000 0.208 52 L C 1.352 177.973 176.870 -0.417 0.000 1.073 52 L CA 1.774 56.431 54.840 -0.305 0.000 0.745 52 L CB -0.495 41.411 42.059 -0.254 0.000 0.894 52 L HN 0.043 nan 8.230 nan 0.000 0.432 53 N N 0.273 118.879 118.700 -0.157 0.000 2.166 53 N HA -0.116 4.602 4.740 -0.037 0.000 0.186 53 N C 1.856 177.347 175.510 -0.032 0.000 1.019 53 N CA 1.500 54.549 53.050 -0.001 0.000 0.856 53 N CB -0.587 37.936 38.487 0.060 0.000 0.993 53 N HN 0.537 nan 8.380 nan 0.000 0.426 54 A N 0.870 123.652 122.820 -0.063 0.000 1.902 54 A HA 0.008 4.306 4.320 -0.037 0.000 0.217 54 A C 2.338 179.832 177.584 -0.149 0.000 1.181 54 A CA 1.946 53.949 52.037 -0.057 0.000 0.623 54 A CB -0.802 18.191 19.000 -0.013 0.000 0.818 54 A HN 0.320 nan 8.150 nan 0.000 0.443 55 A N -1.398 121.321 122.820 -0.169 0.000 1.898 55 A HA 0.000 4.298 4.320 -0.037 0.000 0.216 55 A C 2.066 179.639 177.584 -0.018 0.000 1.181 55 A CA 1.440 53.383 52.037 -0.158 0.000 0.620 55 A CB -0.747 18.123 19.000 -0.216 0.000 0.819 55 A HN 0.521 nan 8.150 nan 0.000 0.442 56 Y N 0.063 120.359 120.300 -0.007 0.000 2.165 56 Y HA -0.134 4.394 4.550 -0.037 0.000 0.286 56 Y C 2.953 178.750 175.900 -0.170 0.000 1.155 56 Y CA 0.387 58.513 58.100 0.043 0.000 1.164 56 Y CB -1.172 37.303 38.460 0.024 0.000 0.978 56 Y HN 0.334 nan 8.280 nan 0.000 0.513 57 A N -0.057 122.680 122.820 -0.138 0.000 1.898 57 A HA -0.067 4.231 4.320 -0.037 0.000 0.216 57 A C 2.526 179.616 177.584 -0.823 0.000 1.181 57 A CA 1.805 53.563 52.037 -0.465 0.000 0.620 57 A CB -1.182 17.504 19.000 -0.524 0.000 0.819 57 A HN 0.371 nan 8.150 nan 0.000 0.442 58 A N -0.109 122.197 122.820 -0.858 0.000 1.940 58 A HA -0.236 4.062 4.320 -0.037 0.000 0.219 58 A C 1.953 179.476 177.584 -0.102 0.000 1.176 58 A CA 1.998 53.715 52.037 -0.533 0.000 0.631 58 A CB -0.589 18.301 19.000 -0.183 0.000 0.814 58 A HN 0.582 nan 8.150 nan 0.000 0.446 59 D N -0.265 120.132 120.400 -0.005 0.000 2.084 59 D HA -0.112 4.506 4.640 -0.037 0.000 0.194 59 D C 2.119 178.507 176.300 0.146 0.000 0.990 59 D CA 1.781 55.874 54.000 0.156 0.000 0.826 59 D CB -0.562 40.455 40.800 0.363 0.000 0.971 59 D HN 0.312 nan 8.370 nan 0.000 0.453 60 G N -0.693 108.145 108.800 0.064 0.000 2.440 60 G HA2 -0.324 3.613 3.960 -0.037 0.000 0.218 60 G HA3 -0.324 3.613 3.960 -0.037 0.000 0.218 60 G C 1.696 176.612 174.900 0.027 0.000 1.154 60 G CA 1.021 46.129 45.100 0.013 0.000 0.767 60 G HN 0.399 nan 8.290 nan 0.000 0.552 61 Y N 1.936 122.191 120.300 -0.075 0.000 2.128 61 Y HA -0.058 4.470 4.550 -0.037 0.000 0.284 61 Y C 2.973 178.886 175.900 0.022 0.000 1.154 61 Y CA 1.742 59.857 58.100 0.026 0.000 1.149 61 Y CB -0.343 38.217 38.460 0.167 0.000 0.976 61 Y HN 0.254 nan 8.280 nan 0.000 0.505 62 A N 0.477 123.427 122.820 0.216 0.000 1.902 62 A HA -0.207 4.091 4.320 -0.037 0.000 0.217 62 A C 2.265 179.861 177.584 0.020 0.000 1.181 62 A CA 1.802 53.925 52.037 0.143 0.000 0.623 62 A CB -0.658 18.443 19.000 0.168 0.000 0.818 62 A HN 0.550 nan 8.150 nan 0.000 0.443 63 R N -0.665 119.836 120.500 0.001 0.000 2.091 63 R HA -0.117 4.200 4.340 -0.037 0.000 0.238 63 R C 1.797 177.908 176.300 -0.314 0.000 1.136 63 R CA 1.607 57.677 56.100 -0.050 0.000 0.959 63 R CB -0.319 30.003 30.300 0.037 0.000 0.856 63 R HN 0.473 nan 8.270 nan 0.000 0.437 64 I N 0.041 120.372 120.570 -0.397 0.000 2.585 64 I HA -0.084 4.063 4.170 -0.037 0.000 0.254 64 I C 1.957 177.870 176.117 -0.342 0.000 1.129 64 I CA 1.183 62.175 61.300 -0.514 0.000 1.455 64 I CB -0.440 37.298 38.000 -0.437 0.000 1.111 64 I HN 0.002 nan 8.210 nan 0.000 0.433 65 K N 0.142 120.333 120.400 -0.349 0.000 2.276 65 K HA 0.205 4.503 4.320 -0.037 0.000 0.198 65 K C 1.320 177.859 176.600 -0.102 0.000 1.052 65 K CA 1.174 57.276 56.287 -0.310 0.000 0.984 65 K CB 0.534 32.653 32.500 -0.634 0.000 0.836 65 K HN 0.305 nan 8.250 nan 0.000 0.490 66 G N -0.293 108.502 108.800 -0.009 0.000 3.033 66 G HA2 -0.109 3.829 3.960 -0.037 0.000 0.196 66 G HA3 -0.109 3.829 3.960 -0.037 0.000 0.196 66 G C -0.005 175.050 174.900 0.258 0.000 1.078 66 G CA 0.080 45.280 45.100 0.167 0.000 0.805 66 G HN 0.325 nan 8.290 nan 0.000 0.472 67 M N -0.528 119.201 119.600 0.214 0.000 2.880 67 M HA 0.797 5.255 4.480 -0.037 0.000 0.269 67 M C -0.615 175.872 176.300 0.312 0.000 1.248 67 M CA -0.092 55.359 55.300 0.251 0.000 0.821 67 M CB 1.855 34.626 32.600 0.285 0.000 1.650 67 M HN 1.090 nan 8.290 nan 0.000 0.479 68 S N -0.115 115.750 115.700 0.275 0.000 2.705 68 S HA 0.861 5.309 4.470 -0.037 0.000 0.280 68 S C -1.577 173.130 174.600 0.178 0.000 1.174 68 S CA -0.735 57.637 58.200 0.286 0.000 0.823 68 S CB 1.807 65.201 63.200 0.324 0.000 1.162 68 S HN 1.273 nan 8.310 nan 0.000 0.487 69 C N 1.455 120.846 119.300 0.152 0.000 2.608 69 C HA 0.791 5.229 4.460 -0.037 0.000 0.325 69 C C -0.839 174.267 174.990 0.193 0.000 1.147 69 C CA -0.567 58.538 59.018 0.145 0.000 1.359 69 C CB -0.100 27.708 27.740 0.112 0.000 1.912 69 C HN 0.964 nan 8.230 nan 0.000 0.466 70 I N 6.713 127.391 120.570 0.180 0.000 2.474 70 I HA 0.660 4.808 4.170 -0.037 0.000 0.294 70 I C -1.087 175.187 176.117 0.262 0.000 1.005 70 I CA -0.843 60.569 61.300 0.187 0.000 1.113 70 I CB 1.311 39.335 38.000 0.040 0.000 1.289 70 I HN 0.663 nan 8.210 nan 0.000 0.436 71 I N 6.871 127.639 120.570 0.331 0.000 2.406 71 I HA 0.407 4.554 4.170 -0.037 0.000 0.290 71 I C 0.031 176.369 176.117 0.368 0.000 0.999 71 I CA -0.301 61.214 61.300 0.359 0.000 1.124 71 I CB 1.995 40.231 38.000 0.393 0.000 1.289 71 I HN 0.612 nan 8.210 nan 0.000 0.441 72 T N 0.536 115.282 114.554 0.321 0.000 2.858 72 T HA 0.465 4.793 4.350 -0.037 0.000 0.285 72 T C -0.335 174.508 174.700 0.239 0.000 1.052 72 T CA -0.723 61.549 62.100 0.286 0.000 1.009 72 T CB 2.067 71.130 68.868 0.325 0.000 1.241 72 T HN 0.433 nan 8.240 nan 0.000 0.542 73 T N 0.350 115.042 114.554 0.230 0.000 2.929 73 T HA 0.513 4.841 4.350 -0.037 0.000 0.284 73 T C -0.565 174.312 174.700 0.294 0.000 1.014 73 T CA -0.761 61.526 62.100 0.313 0.000 1.051 73 T CB 0.088 69.171 68.868 0.358 0.000 1.028 73 T HN 0.534 nan 8.240 nan 0.000 0.485 74 F N 3.947 124.056 119.950 0.264 0.000 2.604 74 F HA 0.278 4.782 4.527 -0.039 0.000 0.390 74 F C 1.455 177.270 175.800 0.025 0.000 1.053 74 F CA 1.923 60.016 58.000 0.156 0.000 1.256 74 F CB -0.368 38.667 39.000 0.059 0.000 0.996 74 F HN 0.951 nan 8.300 nan 0.000 0.564 75 G N 3.907 112.157 108.800 -0.918 0.000 5.206 75 G HA2 -0.393 3.545 3.960 -0.037 0.000 0.328 75 G HA3 -0.393 3.545 3.960 -0.037 0.000 0.328 75 G C 1.049 175.499 174.900 -0.750 0.000 1.382 75 G CA 1.252 45.513 45.100 -1.398 0.000 0.994 75 G HN 1.610 nan 8.290 nan 0.000 0.800 76 V N -0.077 119.522 119.914 -0.525 0.000 2.515 76 V HA 0.327 4.425 4.120 -0.037 0.000 0.250 76 V C 2.652 178.615 176.094 -0.219 0.000 1.058 76 V CA 2.623 64.696 62.300 -0.379 0.000 1.064 76 V CB -1.234 30.304 31.823 -0.474 0.000 0.675 76 V HN 1.504 nan 8.190 nan 0.000 0.461 77 G N 1.377 110.088 108.800 -0.148 0.000 2.417 77 G HA2 -0.125 3.812 3.960 -0.037 0.000 0.212 77 G HA3 -0.125 3.812 3.960 -0.037 0.000 0.212 77 G C 1.478 176.396 174.900 0.031 0.000 1.187 77 G CA 0.747 45.840 45.100 -0.012 0.000 0.804 77 G HN 0.731 nan 8.290 nan 0.000 0.534 78 E N 0.566 120.791 120.200 0.041 0.000 2.077 78 E HA -0.076 4.251 4.350 -0.037 0.000 0.193 78 E C 2.389 179.042 176.600 0.089 0.000 0.989 78 E CA 0.770 57.279 56.400 0.182 0.000 0.800 78 E CB -0.531 29.256 29.700 0.145 0.000 0.746 78 E HN 0.406 nan 8.360 nan 0.000 0.452 79 L N 1.283 122.450 121.223 -0.094 0.000 2.141 79 L HA -0.104 4.214 4.340 -0.037 0.000 0.209 79 L C 2.572 179.421 176.870 -0.036 0.000 1.094 79 L CA 0.970 55.765 54.840 -0.076 0.000 0.763 79 L CB -0.320 41.634 42.059 -0.176 0.000 0.908 79 L HN 0.153 nan 8.230 nan 0.000 0.437 80 S N 0.005 115.675 115.700 -0.050 0.000 2.419 80 S HA -0.135 4.313 4.470 -0.037 0.000 0.233 80 S C 2.001 176.570 174.600 -0.052 0.000 1.016 80 S CA 1.223 59.399 58.200 -0.040 0.000 0.974 80 S CB -0.125 63.051 63.200 -0.041 0.000 0.786 80 S HN 0.515 nan 8.310 nan 0.000 0.492 81 A N 0.665 123.459 122.820 -0.044 0.000 2.178 81 A HA 0.291 4.589 4.320 -0.037 0.000 0.211 81 A C 1.840 179.375 177.584 -0.082 0.000 1.157 81 A CA 0.191 52.162 52.037 -0.110 0.000 0.780 81 A CB -0.348 18.540 19.000 -0.187 0.000 0.828 81 A HN 0.429 nan 8.150 nan 0.000 0.476 82 L N -0.283 120.939 121.223 -0.002 0.000 2.131 82 L HA -0.192 4.126 4.340 -0.037 0.000 0.210 82 L C 2.404 179.292 176.870 0.030 0.000 1.092 82 L CA 1.671 56.530 54.840 0.032 0.000 0.759 82 L CB -0.592 41.503 42.059 0.060 0.000 0.903 82 L HN 0.501 nan 8.230 nan 0.000 0.435 83 N N 0.590 119.330 118.700 0.067 0.000 2.223 83 N HA -0.127 4.591 4.740 -0.037 0.000 0.185 83 N C 1.793 177.412 175.510 0.182 0.000 1.016 83 N CA 1.362 54.537 53.050 0.209 0.000 0.863 83 N CB -0.096 38.559 38.487 0.281 0.000 0.983 83 N HN 0.220 nan 8.380 nan 0.000 0.429 84 G N 0.794 109.588 108.800 -0.011 0.000 2.414 84 G HA2 -0.141 3.796 3.960 -0.037 0.000 0.215 84 G HA3 -0.141 3.796 3.960 -0.037 0.000 0.215 84 G C 1.388 176.281 174.900 -0.012 0.000 1.188 84 G CA 0.726 45.831 45.100 0.009 0.000 0.783 84 G HN 0.249 nan 8.290 nan 0.000 0.537 85 I N 2.131 122.663 120.570 -0.063 0.000 2.163 85 I HA -0.182 3.966 4.170 -0.037 0.000 0.243 85 I C 3.270 179.307 176.117 -0.134 0.000 1.085 85 I CA 1.313 62.583 61.300 -0.050 0.000 1.347 85 I CB -1.454 36.556 38.000 0.016 0.000 1.044 85 I HN 0.263 nan 8.210 nan 0.000 0.408 86 A N 1.021 123.697 122.820 -0.240 0.000 1.933 86 A HA -0.100 4.198 4.320 -0.037 0.000 0.218 86 A C 2.522 179.510 177.584 -0.994 0.000 1.175 86 A CA 1.887 53.602 52.037 -0.537 0.000 0.628 86 A CB -1.329 17.329 19.000 -0.570 0.000 0.814 86 A HN 0.446 nan 8.150 nan 0.000 0.444 87 G N -0.956 107.156 108.800 -1.147 0.000 2.422 87 G HA2 -0.097 3.841 3.960 -0.037 0.000 0.218 87 G HA3 -0.097 3.841 3.960 -0.037 0.000 0.218 87 G C 1.769 176.422 174.900 -0.411 0.000 1.140 87 G CA 1.234 45.647 45.100 -1.145 0.000 0.775 87 G HN 0.489 nan 8.290 nan 0.000 0.545 88 S N -0.479 115.089 115.700 -0.220 0.000 2.383 88 S HA -0.107 4.341 4.470 -0.037 0.000 0.227 88 S C 1.919 176.460 174.600 -0.098 0.000 1.026 88 S CA 1.003 59.154 58.200 -0.080 0.000 0.981 88 S CB -0.393 62.808 63.200 0.000 0.000 0.818 88 S HN 0.530 nan 8.310 nan 0.000 0.472 89 Y N 2.294 122.449 120.300 -0.242 0.000 2.145 89 Y HA -0.120 4.411 4.550 -0.031 0.000 0.286 89 Y C 2.454 178.188 175.900 -0.277 0.000 1.145 89 Y CA 1.163 59.117 58.100 -0.244 0.000 1.148 89 Y CB -0.684 37.638 38.460 -0.230 0.000 0.981 89 Y HN 0.221 nan 8.280 nan 0.000 0.507 90 A N 0.066 122.815 122.820 -0.118 0.000 1.940 90 A HA -0.179 4.118 4.320 -0.037 0.000 0.219 90 A C 1.830 179.434 177.584 0.034 0.000 1.176 90 A CA 1.989 54.004 52.037 -0.038 0.000 0.631 90 A CB -0.482 18.520 19.000 0.002 0.000 0.814 90 A HN 0.634 nan 8.150 nan 0.000 0.446 91 E N -1.059 119.145 120.200 0.007 0.000 2.501 91 E HA 0.093 4.421 4.350 -0.037 0.000 0.200 91 E C -0.938 175.768 176.600 0.177 0.000 1.016 91 E CA -0.285 56.186 56.400 0.118 0.000 0.921 91 E CB -0.067 29.658 29.700 0.042 0.000 1.034 91 E HN 0.716 nan 8.360 nan 0.000 0.468 92 H N -0.427 118.575 119.070 -0.113 0.000 2.750 92 H HA -0.116 4.419 4.556 -0.035 0.000 0.327 92 H C -0.697 174.541 175.328 -0.150 0.000 1.199 92 H CA 0.127 56.086 56.048 -0.148 0.000 1.149 92 H CB -1.846 27.847 29.762 -0.115 0.000 1.543 92 H HN -0.048 nan 8.280 nan 0.000 0.427 93 V N 0.253 120.152 119.914 -0.024 0.000 2.417 93 V HA 0.375 4.473 4.120 -0.037 0.000 0.291 93 V C 1.177 177.283 176.094 0.019 0.000 1.024 93 V CA -0.102 62.203 62.300 0.009 0.000 0.861 93 V CB 2.020 33.877 31.823 0.057 0.000 0.985 93 V HN 0.584 nan 8.190 nan 0.000 0.436 94 G N 4.026 112.849 108.800 0.038 0.000 2.605 94 G HA2 0.431 4.369 3.960 -0.037 0.000 0.301 94 G HA3 0.431 4.369 3.960 -0.037 0.000 0.301 94 G C -0.437 174.534 174.900 0.119 0.000 0.881 94 G CA -0.039 45.107 45.100 0.077 0.000 1.553 94 G HN 0.529 nan 8.290 nan 0.000 0.483 95 V N 4.254 124.233 119.914 0.109 0.000 2.357 95 V HA 0.255 4.352 4.120 -0.037 0.000 0.284 95 V C -0.068 176.107 176.094 0.135 0.000 1.018 95 V CA -0.937 61.434 62.300 0.119 0.000 0.841 95 V CB 1.528 33.404 31.823 0.087 0.000 0.991 95 V HN 0.594 nan 8.190 nan 0.000 0.437 96 L N 5.434 126.741 121.223 0.139 0.000 2.278 96 L HA 0.390 4.708 4.340 -0.037 0.000 0.287 96 L C 0.031 177.002 176.870 0.169 0.000 1.072 96 L CA 0.370 55.293 54.840 0.138 0.000 0.819 96 L CB 0.189 42.312 42.059 0.105 0.000 1.176 96 L HN 0.732 nan 8.230 nan 0.000 0.435 97 H N 4.811 123.903 119.070 0.037 0.000 2.641 97 H HA 0.443 4.976 4.556 -0.037 0.000 0.295 97 H C -1.145 174.109 175.328 -0.125 0.000 1.070 97 H CA -0.974 55.072 56.048 -0.003 0.000 1.257 97 H CB 0.903 30.686 29.762 0.035 0.000 1.393 97 H HN 0.489 nan 8.280 nan 0.000 0.464 98 V N 6.733 126.690 119.914 0.072 0.000 2.407 98 V HA 0.143 4.241 4.120 -0.037 0.000 0.278 98 V C -0.115 175.888 176.094 -0.151 0.000 1.037 98 V CA -0.589 61.645 62.300 -0.110 0.000 0.900 98 V CB 1.364 33.173 31.823 -0.023 0.000 0.983 98 V HN 0.482 nan 8.190 nan 0.000 0.459 99 V N 3.711 123.427 119.914 -0.330 0.000 2.448 99 V HA 0.614 4.712 4.120 -0.037 0.000 0.295 99 V C 0.726 176.801 176.094 -0.030 0.000 1.025 99 V CA -0.568 61.621 62.300 -0.186 0.000 0.859 99 V CB 1.781 33.415 31.823 -0.314 0.000 0.988 99 V HN 0.944 nan 8.190 nan 0.000 0.431 100 G N 3.487 112.346 108.800 0.098 0.000 2.349 100 G HA2 0.527 4.465 3.960 -0.037 0.000 0.281 100 G HA3 0.527 4.465 3.960 -0.037 0.000 0.281 100 G C -0.273 174.732 174.900 0.176 0.000 1.182 100 G CA -0.050 45.136 45.100 0.143 0.000 0.899 100 G HN 0.970 nan 8.290 nan 0.000 0.455 101 V N 0.905 120.832 119.914 0.022 0.000 3.113 101 V HA 0.807 4.905 4.120 -0.037 0.000 0.316 101 V C -2.596 173.186 176.094 -0.520 0.000 1.125 101 V CA -2.954 59.212 62.300 -0.223 0.000 1.026 101 V CB 2.138 33.925 31.823 -0.059 0.000 1.080 101 V HN 0.473 nan 8.190 nan 0.000 0.444 102 P HA 0.162 nan 4.420 nan 0.000 0.269 102 P C -0.003 177.073 177.300 -0.373 0.000 1.217 102 P CA 0.230 62.872 63.100 -0.763 0.000 0.783 102 P CB 0.257 31.459 31.700 -0.830 0.000 0.898 103 S N 1.864 117.440 115.700 -0.206 0.000 2.569 103 S HA 0.026 4.474 4.470 -0.037 0.000 0.274 103 S C 1.511 175.979 174.600 -0.220 0.000 1.353 103 S CA -0.371 57.739 58.200 -0.150 0.000 1.023 103 S CB -0.183 62.971 63.200 -0.077 0.000 0.876 103 S HN 0.211 nan 8.310 nan 0.000 0.540 104 I N 2.264 122.735 120.570 -0.165 0.000 2.185 104 I HA -0.211 3.937 4.170 -0.037 0.000 0.246 104 I C 2.819 178.825 176.117 -0.186 0.000 1.088 104 I CA 2.135 63.335 61.300 -0.167 0.000 1.347 104 I CB -2.317 35.617 38.000 -0.110 0.000 1.041 104 I HN 0.952 nan 8.210 nan 0.000 0.415 105 S N -0.046 115.564 115.700 -0.149 0.000 2.368 105 S HA -0.110 4.338 4.470 -0.037 0.000 0.224 105 S C 2.156 176.646 174.600 -0.183 0.000 1.029 105 S CA 1.246 59.365 58.200 -0.135 0.000 0.988 105 S CB -0.685 62.465 63.200 -0.085 0.000 0.838 105 S HN 0.349 nan 8.310 nan 0.000 0.462 106 S N 2.299 117.870 115.700 -0.216 0.000 2.374 106 S HA -0.199 4.249 4.470 -0.037 0.000 0.227 106 S C 2.181 176.452 174.600 -0.550 0.000 1.037 106 S CA 1.647 59.681 58.200 -0.275 0.000 1.024 106 S CB -0.512 62.544 63.200 -0.241 0.000 0.861 106 S HN 0.630 nan 8.310 nan 0.000 0.456 107 Q N 0.694 120.039 119.800 -0.759 0.000 2.020 107 Q HA -0.048 4.270 4.340 -0.037 0.000 0.202 107 Q C 2.627 178.313 176.000 -0.522 0.000 0.982 107 Q CA 1.384 56.535 55.803 -1.087 0.000 0.838 107 Q CB -0.432 27.862 28.738 -0.740 0.000 0.899 107 Q HN 0.593 nan 8.270 nan 0.000 0.423 108 A N 1.635 124.274 122.820 -0.303 0.000 1.917 108 A HA -0.226 4.072 4.320 -0.037 0.000 0.219 108 A C 1.830 179.346 177.584 -0.113 0.000 1.182 108 A CA 1.700 53.641 52.037 -0.160 0.000 0.633 108 A CB -0.326 18.602 19.000 -0.120 0.000 0.819 108 A HN 0.194 nan 8.150 nan 0.000 0.448 109 K N -0.929 119.395 120.400 -0.126 0.000 2.487 109 K HA 0.077 4.375 4.320 -0.037 0.000 0.192 109 K C -0.117 176.476 176.600 -0.011 0.000 1.027 109 K CA 0.386 56.637 56.287 -0.059 0.000 1.054 109 K CB 0.072 32.541 32.500 -0.051 0.000 0.824 109 K HN 0.574 nan 8.250 nan 0.000 0.510 110 Q N 0.773 120.562 119.800 -0.019 0.000 2.453 110 Q HA -0.190 4.128 4.340 -0.037 0.000 0.294 110 Q C -0.903 175.249 176.000 0.253 0.000 1.295 110 Q CA 0.172 56.104 55.803 0.216 0.000 0.853 110 Q CB -1.875 26.970 28.738 0.177 0.000 1.193 110 Q HN 0.374 nan 8.270 nan 0.000 0.461 111 L N 0.455 121.795 121.223 0.195 0.000 2.525 111 L HA -0.004 4.313 4.340 -0.037 0.000 0.278 111 L C 1.004 178.031 176.870 0.262 0.000 1.218 111 L CA 0.111 55.062 54.840 0.184 0.000 0.878 111 L CB 0.185 42.317 42.059 0.121 0.000 1.127 111 L HN 0.343 nan 8.230 nan 0.000 0.492 112 L N 5.516 126.836 121.223 0.160 0.000 2.376 112 L HA 0.208 4.526 4.340 -0.037 0.000 0.250 112 L C -0.069 176.883 176.870 0.137 0.000 1.335 112 L CA -0.093 54.822 54.840 0.126 0.000 1.214 112 L CB -0.315 41.799 42.059 0.090 0.000 1.395 112 L HN 0.497 nan 8.230 nan 0.000 0.424 113 L N 2.599 123.920 121.223 0.163 0.000 2.421 113 L HA 0.281 4.599 4.340 -0.037 0.000 0.263 113 L C 0.604 177.549 176.870 0.124 0.000 1.122 113 L CA -0.985 53.947 54.840 0.152 0.000 0.804 113 L CB 0.729 42.883 42.059 0.157 0.000 1.150 113 L HN 0.466 nan 8.230 nan 0.000 0.457 114 H N 1.200 120.347 119.070 0.128 0.000 3.016 114 H HA -0.073 4.462 4.556 -0.035 0.000 0.345 114 H C -0.123 175.334 175.328 0.215 0.000 1.066 114 H CA 0.137 56.219 56.048 0.057 0.000 1.390 114 H CB 0.145 29.796 29.762 -0.185 0.000 1.344 114 H HN 0.719 nan 8.280 nan 0.000 0.605 115 H N -1.493 117.763 119.070 0.311 0.000 3.257 115 H HA -0.179 4.355 4.556 -0.038 0.000 0.222 115 H C 0.344 175.852 175.328 0.301 0.000 1.143 115 H CA 1.003 57.220 56.048 0.282 0.000 1.152 115 H CB -2.366 27.667 29.762 0.453 0.000 1.188 115 H HN 0.968 nan 8.280 nan 0.000 0.315 116 T N -2.638 112.141 114.554 0.376 0.000 2.948 116 T HA 0.643 4.971 4.350 -0.037 0.000 0.285 116 T C 1.607 176.420 174.700 0.188 0.000 1.019 116 T CA -0.829 61.440 62.100 0.281 0.000 1.013 116 T CB 1.531 70.397 68.868 -0.003 0.000 1.117 116 T HN 0.111 nan 8.240 nan 0.000 0.533 117 L N 0.683 121.969 121.223 0.105 0.000 2.610 117 L HA 0.266 4.584 4.340 -0.037 0.000 0.232 117 L C 2.074 178.962 176.870 0.030 0.000 1.149 117 L CA 0.575 55.455 54.840 0.066 0.000 0.872 117 L CB -1.035 41.029 42.059 0.008 0.000 0.992 117 L HN 1.210 nan 8.230 nan 0.000 0.447 118 G N 1.392 110.200 108.800 0.015 0.000 2.159 118 G HA2 -0.315 3.623 3.960 -0.037 0.000 0.256 118 G HA3 -0.315 3.623 3.960 -0.037 0.000 0.256 118 G C 0.474 175.375 174.900 0.001 0.000 0.977 118 G CA 0.573 45.684 45.100 0.020 0.000 0.652 118 G HN 0.607 nan 8.290 nan 0.000 0.531 119 N N -0.147 118.534 118.700 -0.033 0.000 2.187 119 N HA 0.409 5.127 4.740 -0.037 0.000 0.212 119 N C 1.544 177.038 175.510 -0.027 0.000 1.152 119 N CA 0.657 53.691 53.050 -0.027 0.000 0.872 119 N CB -0.002 38.464 38.487 -0.035 0.000 1.025 119 N HN 1.530 nan 8.380 nan 0.000 0.514 120 G N 0.320 109.089 108.800 -0.051 0.000 2.155 120 G HA2 -0.293 3.645 3.960 -0.037 0.000 0.257 120 G HA3 -0.293 3.645 3.960 -0.037 0.000 0.257 120 G C -0.614 174.306 174.900 0.033 0.000 0.983 120 G CA 0.369 45.484 45.100 0.025 0.000 0.676 120 G HN 0.603 nan 8.290 nan 0.000 0.528 121 D N -0.371 119.955 120.400 -0.123 0.000 2.411 121 D HA 0.510 5.128 4.640 -0.037 0.000 0.225 121 D C 0.854 177.051 176.300 -0.171 0.000 1.156 121 D CA -0.896 53.056 54.000 -0.079 0.000 0.874 121 D CB -0.247 40.478 40.800 -0.125 0.000 1.034 121 D HN 0.115 nan 8.370 nan 0.000 0.502 122 F N 1.188 121.150 119.950 0.020 0.000 2.732 122 F HA 0.049 4.552 4.527 -0.040 0.000 0.303 122 F C 2.348 178.219 175.800 0.119 0.000 1.110 122 F CA 0.193 58.270 58.000 0.127 0.000 1.355 122 F CB 0.367 39.373 39.000 0.010 0.000 1.081 122 F HN 0.364 nan 8.300 nan 0.000 0.565 123 T N -4.389 110.239 114.554 0.123 0.000 3.044 123 T HA 0.002 4.330 4.350 -0.037 0.000 0.250 123 T C 1.935 176.588 174.700 -0.078 0.000 1.081 123 T CA 0.698 62.849 62.100 0.084 0.000 1.040 123 T CB -0.356 68.539 68.868 0.045 0.000 0.962 123 T HN 0.127 nan 8.240 nan 0.000 0.506 124 V N 0.826 120.555 119.914 -0.308 0.000 2.343 124 V HA -0.047 4.051 4.120 -0.037 0.000 0.247 124 V C 1.973 177.832 176.094 -0.391 0.000 1.051 124 V CA 1.752 63.784 62.300 -0.446 0.000 1.036 124 V CB -0.833 30.616 31.823 -0.623 0.000 0.654 124 V HN 0.520 nan 8.190 nan 0.000 0.451 125 F N 0.021 119.928 119.950 -0.072 0.000 2.234 125 F HA 0.034 4.542 4.527 -0.031 0.000 0.296 125 F C 2.380 178.114 175.800 -0.111 0.000 1.089 125 F CA 1.501 59.440 58.000 -0.102 0.000 1.343 125 F CB -1.403 37.486 39.000 -0.184 0.000 1.040 125 F HN 0.363 nan 8.300 nan 0.000 0.498 126 H N 1.058 120.074 119.070 -0.090 0.000 2.290 126 H HA -0.131 4.411 4.556 -0.022 0.000 0.298 126 H C 2.374 177.480 175.328 -0.370 0.000 1.087 126 H CA 1.672 57.468 56.048 -0.419 0.000 1.291 126 H CB 0.037 29.707 29.762 -0.153 0.000 1.369 126 H HN 0.131 nan 8.280 nan 0.000 0.492 127 R N -0.192 120.106 120.500 -0.337 0.000 2.105 127 R HA -0.156 4.161 4.340 -0.037 0.000 0.239 127 R C 2.652 178.811 176.300 -0.236 0.000 1.135 127 R CA 1.806 57.699 56.100 -0.346 0.000 0.967 127 R CB -0.152 30.001 30.300 -0.244 0.000 0.861 127 R HN 0.447 nan 8.270 nan 0.000 0.442 128 M N -0.385 119.123 119.600 -0.154 0.000 2.099 128 M HA -0.132 4.325 4.480 -0.037 0.000 0.262 128 M C 2.290 178.524 176.300 -0.110 0.000 1.067 128 M CA 1.500 56.746 55.300 -0.089 0.000 1.124 128 M CB -0.091 32.511 32.600 0.003 0.000 1.353 128 M HN 0.010 nan 8.290 nan 0.000 0.410 129 S N 0.291 115.901 115.700 -0.150 0.000 2.447 129 S HA -0.028 4.420 4.470 -0.037 0.000 0.233 129 S C 1.961 176.462 174.600 -0.165 0.000 1.006 129 S CA 1.021 59.139 58.200 -0.137 0.000 0.957 129 S CB -0.283 62.795 63.200 -0.203 0.000 0.773 129 S HN 0.529 nan 8.310 nan 0.000 0.507 130 A N 2.423 125.104 122.820 -0.233 0.000 2.019 130 A HA -0.124 4.174 4.320 -0.037 0.000 0.219 130 A C 1.823 179.307 177.584 -0.167 0.000 1.164 130 A CA 1.230 53.156 52.037 -0.184 0.000 0.644 130 A CB -0.510 18.341 19.000 -0.248 0.000 0.805 130 A HN 0.508 nan 8.150 nan 0.000 0.449 131 N N 0.081 118.673 118.700 -0.181 0.000 2.381 131 N HA -0.079 4.639 4.740 -0.037 0.000 0.182 131 N C 1.143 176.438 175.510 -0.359 0.000 1.025 131 N CA 1.659 54.584 53.050 -0.209 0.000 0.888 131 N CB -0.121 38.272 38.487 -0.157 0.000 0.965 131 N HN 0.821 nan 8.380 nan 0.000 0.438 132 I N -3.141 117.215 120.570 -0.357 0.000 3.658 132 I HA 0.351 4.499 4.170 -0.037 0.000 0.328 132 I C -0.552 175.347 176.117 -0.362 0.000 1.567 132 I CA -0.394 60.562 61.300 -0.573 0.000 1.078 132 I CB 0.494 38.299 38.000 -0.325 0.000 1.267 132 I HN -0.289 nan 8.210 nan 0.000 0.495 133 S N 0.886 116.471 115.700 -0.192 0.000 2.513 133 S HA 0.292 4.739 4.470 -0.037 0.000 0.299 133 S C 0.637 175.349 174.600 0.187 0.000 1.087 133 S CA -0.423 57.834 58.200 0.095 0.000 1.012 133 S CB 2.731 66.000 63.200 0.116 0.000 1.044 133 S HN 0.350 nan 8.310 nan 0.000 0.485 134 E N 1.815 122.177 120.200 0.269 0.000 2.051 134 E HA -0.046 4.282 4.350 -0.037 0.000 0.192 134 E C 0.700 177.385 176.600 0.142 0.000 0.991 134 E CA 1.455 57.982 56.400 0.212 0.000 0.799 134 E CB 0.200 29.990 29.700 0.150 0.000 0.748 134 E HN 0.566 nan 8.360 nan 0.000 0.449 135 T N -1.855 112.783 114.554 0.140 0.000 2.816 135 T HA 0.544 4.872 4.350 -0.037 0.000 0.299 135 T C -1.355 173.444 174.700 0.165 0.000 1.230 135 T CA -0.175 62.001 62.100 0.127 0.000 1.007 135 T CB 1.290 70.225 68.868 0.112 0.000 1.289 135 T HN 0.203 nan 8.240 nan 0.000 0.508 136 T N -0.557 114.106 114.554 0.181 0.000 2.896 136 T HA 0.869 5.197 4.350 -0.037 0.000 0.297 136 T C -1.215 173.610 174.700 0.209 0.000 1.108 136 T CA -0.624 61.637 62.100 0.268 0.000 1.004 136 T CB 1.640 70.748 68.868 0.400 0.000 1.159 136 T HN 1.084 nan 8.240 nan 0.000 0.499 137 A N 2.063 124.986 122.820 0.171 0.000 2.408 137 A HA 0.733 5.031 4.320 -0.037 0.000 0.295 137 A C -0.928 176.642 177.584 -0.025 0.000 1.040 137 A CA -0.771 51.309 52.037 0.071 0.000 0.707 137 A CB 1.654 20.683 19.000 0.049 0.000 1.235 137 A HN 0.813 nan 8.150 nan 0.000 0.418 138 M N 4.372 123.923 119.600 -0.083 0.000 2.060 138 M HA 0.413 4.871 4.480 -0.037 0.000 0.342 138 M C -0.774 175.492 176.300 -0.056 0.000 1.031 138 M CA -1.484 53.735 55.300 -0.136 0.000 0.981 138 M CB -0.092 32.373 32.600 -0.225 0.000 1.376 138 M HN 0.555 nan 8.290 nan 0.000 0.397 139 I N 3.768 124.305 120.570 -0.056 0.000 2.683 139 I HA 0.067 4.215 4.170 -0.037 0.000 0.286 139 I C 1.273 177.360 176.117 -0.049 0.000 1.175 139 I CA 0.632 61.903 61.300 -0.048 0.000 1.429 139 I CB -0.061 37.905 38.000 -0.056 0.000 1.371 139 I HN 0.815 nan 8.210 nan 0.000 0.569 140 T N 0.381 114.909 114.554 -0.043 0.000 2.969 140 T HA 0.165 4.493 4.350 -0.037 0.000 0.258 140 T C 0.095 174.767 174.700 -0.047 0.000 0.962 140 T CA -0.353 61.720 62.100 -0.046 0.000 0.903 140 T CB 0.394 69.241 68.868 -0.034 0.000 1.177 140 T HN 0.658 nan 8.240 nan 0.000 0.511 141 D N 0.359 120.732 120.400 -0.046 0.000 2.934 141 D HA 0.280 4.898 4.640 -0.037 0.000 0.230 141 D C 0.556 176.823 176.300 -0.056 0.000 1.204 141 D CA -0.787 53.184 54.000 -0.047 0.000 0.873 141 D CB 2.053 42.830 40.800 -0.039 0.000 1.645 141 D HN -0.081 nan 8.370 nan 0.000 0.502 142 I N 2.280 122.814 120.570 -0.059 0.000 2.335 142 I HA -0.184 3.964 4.170 -0.037 0.000 0.251 142 I C 2.304 178.372 176.117 -0.082 0.000 1.129 142 I CA 1.777 63.034 61.300 -0.072 0.000 1.402 142 I CB -0.418 37.545 38.000 -0.062 0.000 1.069 142 I HN 0.654 nan 8.210 nan 0.000 0.424 143 A N -0.830 121.952 122.820 -0.065 0.000 1.933 143 A HA -0.192 4.106 4.320 -0.037 0.000 0.218 143 A C 2.263 179.806 177.584 -0.068 0.000 1.175 143 A CA 2.264 54.263 52.037 -0.062 0.000 0.628 143 A CB -1.211 17.763 19.000 -0.044 0.000 0.814 143 A HN 0.551 nan 8.150 nan 0.000 0.444 144 T N -4.030 110.487 114.554 -0.062 0.000 3.040 144 T HA 0.512 4.839 4.350 -0.037 0.000 0.250 144 T C 1.708 176.366 174.700 -0.070 0.000 1.058 144 T CA 0.884 62.951 62.100 -0.055 0.000 0.988 144 T CB 0.147 68.995 68.868 -0.033 0.000 0.993 144 T HN 0.450 nan 8.240 nan 0.000 0.519 145 A N 3.191 125.955 122.820 -0.094 0.000 1.892 145 A HA 0.046 4.344 4.320 -0.037 0.000 0.218 145 A C 0.186 177.679 177.584 -0.151 0.000 1.188 145 A CA 1.448 53.419 52.037 -0.110 0.000 0.631 145 A CB -1.664 17.264 19.000 -0.121 0.000 0.822 145 A HN 0.470 nan 8.150 nan 0.000 0.447 146 P HA -0.116 nan 4.420 nan 0.000 0.215 146 P C 1.716 178.973 177.300 -0.072 0.000 1.153 146 P CA 1.933 64.790 63.100 -0.405 0.000 0.853 146 P CB -0.137 31.171 31.700 -0.652 0.000 0.788 147 A N -0.144 122.648 122.820 -0.047 0.000 1.933 147 A HA -0.205 4.093 4.320 -0.037 0.000 0.218 147 A C 2.213 179.817 177.584 0.032 0.000 1.175 147 A CA 1.481 53.528 52.037 0.016 0.000 0.628 147 A CB -1.021 17.982 19.000 0.004 0.000 0.814 147 A HN 0.068 nan 8.150 nan 0.000 0.444 148 E N -0.018 120.188 120.200 0.010 0.000 2.072 148 E HA -0.120 4.208 4.350 -0.037 0.000 0.191 148 E C 2.009 178.633 176.600 0.040 0.000 0.985 148 E CA 0.901 57.314 56.400 0.022 0.000 0.801 148 E CB -0.395 29.307 29.700 0.003 0.000 0.750 148 E HN 0.716 nan 8.360 nan 0.000 0.452 149 I N 1.793 122.390 120.570 0.045 0.000 2.091 149 I HA -0.321 3.826 4.170 -0.037 0.000 0.239 149 I C 1.939 178.116 176.117 0.100 0.000 1.061 149 I CA 1.519 62.868 61.300 0.082 0.000 1.317 149 I CB -0.344 37.752 38.000 0.160 0.000 1.031 149 I HN -0.005 nan 8.210 nan 0.000 0.401 150 D N 0.246 120.727 120.400 0.135 0.000 2.123 150 D HA -0.222 4.396 4.640 -0.037 0.000 0.196 150 D C 2.158 178.508 176.300 0.084 0.000 0.992 150 D CA 1.154 55.218 54.000 0.108 0.000 0.833 150 D CB -0.394 40.478 40.800 0.121 0.000 0.954 150 D HN 0.279 nan 8.370 nan 0.000 0.455 151 R N 0.212 120.758 120.500 0.077 0.000 2.081 151 R HA -0.116 4.202 4.340 -0.037 0.000 0.235 151 R C 2.173 178.522 176.300 0.082 0.000 1.131 151 R CA 1.460 57.604 56.100 0.074 0.000 0.960 151 R CB -0.491 29.848 30.300 0.064 0.000 0.856 151 R HN 0.175 nan 8.270 nan 0.000 0.436 152 C N 0.308 119.654 119.300 0.077 0.000 2.432 152 C HA -0.040 4.398 4.460 -0.037 0.000 0.277 152 C C 2.577 177.621 174.990 0.091 0.000 1.249 152 C CA 0.551 59.619 59.018 0.082 0.000 1.725 152 C CB -0.754 27.026 27.740 0.066 0.000 2.028 152 C HN 0.532 nan 8.230 nan 0.000 0.477 153 I N 0.454 121.072 120.570 0.081 0.000 2.179 153 I HA -0.211 3.937 4.170 -0.037 0.000 0.242 153 I C 2.842 179.033 176.117 0.123 0.000 1.088 153 I CA 1.519 62.871 61.300 0.088 0.000 1.357 153 I CB -0.624 37.407 38.000 0.052 0.000 1.051 153 I HN 0.348 nan 8.210 nan 0.000 0.409 154 R N 0.773 121.342 120.500 0.115 0.000 2.080 154 R HA -0.189 4.129 4.340 -0.037 0.000 0.236 154 R C 2.248 178.641 176.300 0.156 0.000 1.137 154 R CA 2.376 58.562 56.100 0.143 0.000 0.943 154 R CB -0.454 29.915 30.300 0.116 0.000 0.846 154 R HN 0.243 nan 8.270 nan 0.000 0.431 155 T N 0.224 114.854 114.554 0.126 0.000 2.746 155 T HA -0.116 4.212 4.350 -0.037 0.000 0.267 155 T C 1.731 176.504 174.700 0.122 0.000 1.039 155 T CA 1.896 64.065 62.100 0.116 0.000 1.142 155 T CB -0.379 68.552 68.868 0.105 0.000 0.866 155 T HN 0.428 nan 8.240 nan 0.000 0.444 156 T N 0.953 115.590 114.554 0.137 0.000 2.652 156 T HA -0.133 4.195 4.350 -0.037 0.000 0.267 156 T C 1.634 176.429 174.700 0.159 0.000 1.039 156 T CA 1.395 63.580 62.100 0.142 0.000 1.153 156 T CB -0.515 68.443 68.868 0.150 0.000 0.863 156 T HN 0.438 nan 8.240 nan 0.000 0.428 157 Y N 2.274 122.618 120.300 0.073 0.000 2.163 157 Y HA -0.122 4.406 4.550 -0.037 0.000 0.288 157 Y C 2.467 178.415 175.900 0.079 0.000 1.136 157 Y CA 1.104 59.245 58.100 0.068 0.000 1.147 157 Y CB -0.614 37.883 38.460 0.062 0.000 0.987 157 Y HN 0.104 nan 8.280 nan 0.000 0.509 158 V N -2.087 117.824 119.914 -0.006 0.000 2.453 158 V HA -0.121 3.977 4.120 -0.037 0.000 0.247 158 V C 2.013 178.102 176.094 -0.007 0.000 1.048 158 V CA 2.268 64.531 62.300 -0.062 0.000 1.049 158 V CB -1.586 30.281 31.823 0.075 0.000 0.672 158 V HN 0.556 nan 8.190 nan 0.000 0.457 159 T N -4.149 110.435 114.554 0.050 0.000 3.057 159 T HA 0.034 4.362 4.350 -0.037 0.000 0.254 159 T C 1.028 175.823 174.700 0.157 0.000 1.094 159 T CA 0.446 62.618 62.100 0.119 0.000 1.088 159 T CB -0.318 68.603 68.868 0.090 0.000 0.934 159 T HN 0.482 nan 8.240 nan 0.000 0.497 160 Q N 1.255 121.063 119.800 0.013 0.000 2.452 160 Q HA -0.135 4.183 4.340 -0.037 0.000 0.318 160 Q C -0.667 175.303 176.000 -0.049 0.000 1.386 160 Q CA 0.805 56.569 55.803 -0.065 0.000 0.872 160 Q CB -1.042 27.528 28.738 -0.280 0.000 1.151 160 Q HN 0.666 nan 8.270 nan 0.000 0.417 161 R N -0.764 119.724 120.500 -0.020 0.000 2.808 161 R HA 0.567 4.885 4.340 -0.037 0.000 0.272 161 R C -2.573 173.763 176.300 0.060 0.000 0.995 161 R CA -2.166 53.898 56.100 -0.060 0.000 0.917 161 R CB 1.134 31.352 30.300 -0.137 0.000 1.217 161 R HN -0.133 nan 8.270 nan 0.000 0.471 162 P HA 0.086 nan 4.420 nan 0.000 0.269 162 P C -0.656 176.756 177.300 0.186 0.000 1.209 162 P CA -0.120 63.074 63.100 0.156 0.000 0.776 162 P CB 0.580 32.381 31.700 0.169 0.000 0.876 163 V N 3.248 123.274 119.914 0.187 0.000 2.656 163 V HA 0.320 4.418 4.120 -0.037 0.000 0.307 163 V C -0.967 175.266 176.094 0.230 0.000 1.051 163 V CA -0.650 61.768 62.300 0.196 0.000 0.893 163 V CB 1.818 33.731 31.823 0.151 0.000 0.999 163 V HN 0.391 nan 8.190 nan 0.000 0.426 164 Y N 5.115 125.474 120.300 0.098 0.000 2.331 164 Y HA 0.748 5.283 4.550 -0.026 0.000 0.338 164 Y C -0.820 175.083 175.900 0.006 0.000 0.992 164 Y CA -0.824 57.309 58.100 0.054 0.000 1.121 164 Y CB 1.621 40.126 38.460 0.075 0.000 1.184 164 Y HN 0.571 nan 8.280 nan 0.000 0.469 165 L N 6.754 127.775 121.223 -0.337 0.000 2.415 165 L HA 0.682 5.000 4.340 -0.037 0.000 0.268 165 L C -0.459 176.181 176.870 -0.383 0.000 0.984 165 L CA -0.276 54.430 54.840 -0.223 0.000 0.853 165 L CB 1.244 43.236 42.059 -0.111 0.000 1.215 165 L HN 0.765 nan 8.230 nan 0.000 0.419 166 G N 5.744 114.384 108.800 -0.267 0.000 2.339 166 G HA2 0.537 4.475 3.960 -0.037 0.000 0.287 166 G HA3 0.537 4.475 3.960 -0.037 0.000 0.287 166 G C -0.928 173.907 174.900 -0.109 0.000 1.163 166 G CA -0.423 44.566 45.100 -0.185 0.000 0.872 166 G HN 0.564 nan 8.290 nan 0.000 0.464 167 L N 4.517 125.687 121.223 -0.088 0.000 2.353 167 L HA 0.276 4.594 4.340 -0.037 0.000 0.270 167 L C -2.293 174.550 176.870 -0.045 0.000 1.003 167 L CA -1.909 52.892 54.840 -0.064 0.000 0.862 167 L CB 2.631 44.653 42.059 -0.061 0.000 1.221 167 L HN 0.322 nan 8.230 nan 0.000 0.430 168 P HA -0.003 nan 4.420 nan 0.000 0.265 168 P C 0.523 177.806 177.300 -0.029 0.000 1.193 168 P CA 0.104 63.161 63.100 -0.071 0.000 0.765 168 P CB 1.120 32.765 31.700 -0.092 0.000 0.823 169 A N 4.553 127.375 122.820 0.003 0.000 1.948 169 A HA -0.239 4.059 4.320 -0.037 0.000 0.220 169 A C 1.821 179.420 177.584 0.025 0.000 1.177 169 A CA 1.967 54.038 52.037 0.056 0.000 0.636 169 A CB -1.199 17.887 19.000 0.143 0.000 0.815 169 A HN 0.721 nan 8.150 nan 0.000 0.449 170 N N 0.215 118.914 118.700 -0.001 0.000 2.459 170 N HA -0.050 4.668 4.740 -0.037 0.000 0.181 170 N C 1.407 176.907 175.510 -0.017 0.000 1.046 170 N CA 1.222 54.266 53.050 -0.009 0.000 0.904 170 N CB -0.378 38.094 38.487 -0.024 0.000 0.964 170 N HN 0.527 nan 8.380 nan 0.000 0.444 171 L N 0.975 122.184 121.223 -0.025 0.000 2.375 171 L HA 0.063 4.381 4.340 -0.037 0.000 0.215 171 L C 2.399 179.254 176.870 -0.025 0.000 1.108 171 L CA 0.164 54.984 54.840 -0.033 0.000 0.830 171 L CB -0.067 41.964 42.059 -0.047 0.000 0.959 171 L HN 0.037 nan 8.230 nan 0.000 0.457 172 V N -3.718 116.190 119.914 -0.011 0.000 2.759 172 V HA -0.126 3.972 4.120 -0.037 0.000 0.256 172 V C 1.347 177.447 176.094 0.010 0.000 1.080 172 V CA 1.609 63.908 62.300 -0.002 0.000 1.101 172 V CB -0.387 31.444 31.823 0.013 0.000 0.698 172 V HN 0.328 nan 8.190 nan 0.000 0.477 173 D N 0.317 120.722 120.400 0.008 0.000 2.349 173 D HA 0.295 4.913 4.640 -0.037 0.000 0.214 173 D C 0.707 177.008 176.300 0.002 0.000 1.063 173 D CA 0.114 54.121 54.000 0.011 0.000 0.847 173 D CB 0.336 41.143 40.800 0.012 0.000 0.933 173 D HN 0.447 nan 8.370 nan 0.000 0.513 174 L N 1.402 122.619 121.223 -0.010 0.000 2.371 174 L HA 0.177 4.495 4.340 -0.037 0.000 0.272 174 L C 0.798 177.656 176.870 -0.020 0.000 1.124 174 L CA -0.487 54.342 54.840 -0.018 0.000 0.816 174 L CB 0.624 42.665 42.059 -0.029 0.000 1.129 174 L HN -0.226 nan 8.230 nan 0.000 0.448 175 N N 1.576 120.265 118.700 -0.017 0.000 2.525 175 N HA 0.363 5.081 4.740 -0.037 0.000 0.271 175 N C -0.468 175.019 175.510 -0.038 0.000 1.194 175 N CA -0.186 52.855 53.050 -0.015 0.000 0.964 175 N CB 2.103 40.587 38.487 -0.005 0.000 1.126 175 N HN 0.381 nan 8.380 nan 0.000 0.452 176 V N -0.868 119.020 119.914 -0.044 0.000 3.074 176 V HA 0.684 4.782 4.120 -0.037 0.000 0.314 176 V C -2.699 173.375 176.094 -0.033 0.000 1.117 176 V CA -2.569 59.682 62.300 -0.082 0.000 1.014 176 V CB 1.830 33.531 31.823 -0.203 0.000 1.057 176 V HN 0.403 nan 8.190 nan 0.000 0.438 177 P HA 0.358 nan 4.420 nan 0.000 0.276 177 P C 0.557 177.888 177.300 0.052 0.000 1.253 177 P CA 0.140 63.244 63.100 0.007 0.000 0.766 177 P CB 1.268 32.968 31.700 0.000 0.000 0.845 178 A N 4.416 127.274 122.820 0.064 0.000 2.019 178 A HA -0.204 4.094 4.320 -0.037 0.000 0.219 178 A C 2.049 179.685 177.584 0.087 0.000 1.164 178 A CA 1.385 53.478 52.037 0.094 0.000 0.644 178 A CB -0.927 18.113 19.000 0.066 0.000 0.805 178 A HN 0.487 nan 8.150 nan 0.000 0.449 179 K N -0.201 120.236 120.400 0.062 0.000 2.281 179 K HA -0.087 4.211 4.320 -0.037 0.000 0.203 179 K C 1.574 178.215 176.600 0.069 0.000 1.046 179 K CA 1.069 57.387 56.287 0.051 0.000 0.938 179 K CB -0.365 32.156 32.500 0.035 0.000 0.737 179 K HN 0.549 nan 8.250 nan 0.000 0.458 180 L N 0.488 121.775 121.223 0.107 0.000 2.131 180 L HA -0.192 4.126 4.340 -0.037 0.000 0.210 180 L C 1.974 178.928 176.870 0.140 0.000 1.092 180 L CA 0.902 55.828 54.840 0.145 0.000 0.759 180 L CB -0.317 41.872 42.059 0.217 0.000 0.903 180 L HN 0.219 nan 8.230 nan 0.000 0.435 181 L N -0.662 120.630 121.223 0.115 0.000 2.456 181 L HA -0.145 4.173 4.340 -0.037 0.000 0.224 181 L C 2.464 179.334 176.870 -0.001 0.000 1.148 181 L CA 0.445 55.288 54.840 0.005 0.000 0.825 181 L CB -0.369 41.665 42.059 -0.042 0.000 0.937 181 L HN 0.354 nan 8.230 nan 0.000 0.450 182 Q N -0.715 119.099 119.800 0.023 0.000 2.378 182 Q HA 0.034 4.352 4.340 -0.037 0.000 0.205 182 Q C 0.497 176.505 176.000 0.014 0.000 0.954 182 Q CA 0.608 56.420 55.803 0.014 0.000 0.901 182 Q CB -0.057 28.692 28.738 0.019 0.000 0.981 182 Q HN 0.335 nan 8.270 nan 0.000 0.483 183 T N 3.691 118.259 114.554 0.023 0.000 2.749 183 T HA 0.359 4.687 4.350 -0.037 0.000 0.287 183 T C -2.395 172.314 174.700 0.016 0.000 0.970 183 T CA -1.363 60.750 62.100 0.022 0.000 0.980 183 T CB 1.545 70.433 68.868 0.033 0.000 0.924 183 T HN -0.032 nan 8.240 nan 0.000 0.456 184 P HA 0.232 nan 4.420 nan 0.000 0.272 184 P C -0.077 177.231 177.300 0.014 0.000 1.223 184 P CA -0.525 62.575 63.100 0.000 0.000 0.784 184 P CB 0.405 32.105 31.700 -0.000 0.000 0.923 185 I N 1.211 121.785 120.570 0.007 0.000 2.588 185 I HA 0.012 4.160 4.170 -0.037 0.000 0.283 185 I C 0.927 177.067 176.117 0.038 0.000 1.119 185 I CA -0.087 61.230 61.300 0.028 0.000 1.419 185 I CB 0.037 38.051 38.000 0.024 0.000 1.394 185 I HN 0.332 nan 8.210 nan 0.000 0.562 186 D N 7.540 127.974 120.400 0.057 0.000 2.358 186 D HA 0.070 4.688 4.640 -0.037 0.000 0.258 186 D C 0.174 176.537 176.300 0.106 0.000 1.223 186 D CA 0.100 54.144 54.000 0.073 0.000 0.886 186 D CB 0.801 41.645 40.800 0.072 0.000 1.120 186 D HN 0.285 nan 8.370 nan 0.000 0.482 187 M N 2.266 121.940 119.600 0.125 0.000 2.589 187 M HA 0.091 4.549 4.480 -0.037 0.000 0.344 187 M C -0.123 176.352 176.300 0.292 0.000 1.168 187 M CA -0.266 55.162 55.300 0.213 0.000 0.956 187 M CB -0.723 31.939 32.600 0.103 0.000 1.370 187 M HN 0.388 nan 8.290 nan 0.000 0.518 188 S N 0.043 115.869 115.700 0.210 0.000 2.537 188 S HA 0.753 5.201 4.470 -0.037 0.000 0.301 188 S C -0.081 174.645 174.600 0.210 0.000 1.092 188 S CA -0.861 57.472 58.200 0.221 0.000 1.048 188 S CB 1.964 65.285 63.200 0.202 0.000 1.053 188 S HN 0.332 nan 8.310 nan 0.000 0.501 189 L N 2.513 123.878 121.223 0.237 0.000 2.506 189 L HA 0.166 4.484 4.340 -0.037 0.000 0.281 189 L C 1.049 178.098 176.870 0.299 0.000 1.228 189 L CA -0.255 54.730 54.840 0.241 0.000 0.850 189 L CB 0.262 42.436 42.059 0.193 0.000 1.110 189 L HN 0.634 nan 8.230 nan 0.000 0.496 190 K N 2.948 123.475 120.400 0.212 0.000 2.336 190 K HA 0.194 4.492 4.320 -0.037 0.000 0.262 190 K C -2.155 174.556 176.600 0.184 0.000 0.992 190 K CA -1.160 55.217 56.287 0.151 0.000 0.927 190 K CB 0.049 32.614 32.500 0.108 0.000 0.956 190 K HN 0.344 nan 8.250 nan 0.000 0.495 191 P HA 0.139 nan 4.420 nan 0.000 0.279 191 P C -0.595 176.732 177.300 0.046 0.000 1.252 191 P CA -0.558 62.488 63.100 -0.090 0.000 0.811 191 P CB 0.575 32.167 31.700 -0.179 0.000 1.035 192 N N 0.640 119.387 118.700 0.079 0.000 2.444 192 N HA 0.047 4.765 4.740 -0.037 0.000 0.255 192 N C -0.067 175.472 175.510 0.049 0.000 1.255 192 N CA 0.089 53.203 53.050 0.107 0.000 0.933 192 N CB -0.158 38.415 38.487 0.143 0.000 1.143 192 N HN 0.531 nan 8.380 nan 0.000 0.453 193 D N -0.028 120.407 120.400 0.058 0.000 2.487 193 D HA 0.129 4.747 4.640 -0.037 0.000 0.243 193 D C 0.857 177.176 176.300 0.033 0.000 1.154 193 D CA -0.187 53.839 54.000 0.043 0.000 0.876 193 D CB 0.675 41.509 40.800 0.056 0.000 1.161 193 D HN 0.495 nan 8.370 nan 0.000 0.478 194 A N 4.363 127.194 122.820 0.017 0.000 1.877 194 A HA -0.180 4.118 4.320 -0.037 0.000 0.216 194 A C 1.985 179.576 177.584 0.012 0.000 1.186 194 A CA 1.040 53.082 52.037 0.007 0.000 0.620 194 A CB -0.463 18.536 19.000 -0.001 0.000 0.822 194 A HN 0.687 nan 8.150 nan 0.000 0.443 195 E N -0.233 119.979 120.200 0.021 0.000 2.072 195 E HA -0.118 4.209 4.350 -0.037 0.000 0.191 195 E C 2.348 178.968 176.600 0.033 0.000 0.985 195 E CA 1.265 57.680 56.400 0.025 0.000 0.801 195 E CB -0.653 29.067 29.700 0.032 0.000 0.750 195 E HN 0.518 nan 8.360 nan 0.000 0.452 196 S N 0.469 116.200 115.700 0.052 0.000 2.368 196 S HA -0.191 4.257 4.470 -0.037 0.000 0.225 196 S C 1.946 176.534 174.600 -0.020 0.000 1.030 196 S CA 1.516 59.762 58.200 0.076 0.000 0.999 196 S CB -0.041 63.238 63.200 0.132 0.000 0.844 196 S HN 0.296 nan 8.310 nan 0.000 0.459 197 E N 0.562 120.755 120.200 -0.013 0.000 2.051 197 E HA -0.221 4.107 4.350 -0.037 0.000 0.192 197 E C 2.108 178.670 176.600 -0.065 0.000 0.991 197 E CA 1.347 57.723 56.400 -0.040 0.000 0.799 197 E CB -0.190 29.518 29.700 0.013 0.000 0.748 197 E HN 0.530 nan 8.360 nan 0.000 0.449 198 K N 0.970 121.349 120.400 -0.035 0.000 2.032 198 K HA -0.246 4.052 4.320 -0.037 0.000 0.209 198 K C 2.140 178.706 176.600 -0.056 0.000 1.048 198 K CA 1.893 58.161 56.287 -0.033 0.000 0.927 198 K CB -0.145 32.348 32.500 -0.012 0.000 0.712 198 K HN 0.108 nan 8.250 nan 0.000 0.441 199 E N 0.068 120.234 120.200 -0.058 0.000 2.058 199 E HA -0.183 4.145 4.350 -0.037 0.000 0.194 199 E C 1.848 178.334 176.600 -0.190 0.000 0.997 199 E CA 1.560 57.920 56.400 -0.067 0.000 0.801 199 E CB 0.029 29.739 29.700 0.017 0.000 0.746 199 E HN 0.202 nan 8.360 nan 0.000 0.450 200 V N 1.204 120.900 119.914 -0.363 0.000 2.287 200 V HA -0.288 3.810 4.120 -0.037 0.000 0.248 200 V C 2.409 178.339 176.094 -0.272 0.000 1.053 200 V CA 1.923 63.908 62.300 -0.526 0.000 1.027 200 V CB -0.419 31.023 31.823 -0.635 0.000 0.646 200 V HN 0.339 nan 8.190 nan 0.000 0.447 201 I N -0.023 120.451 120.570 -0.161 0.000 2.226 201 I HA -0.224 3.924 4.170 -0.037 0.000 0.245 201 I C 2.277 178.359 176.117 -0.059 0.000 1.100 201 I CA 1.593 62.846 61.300 -0.078 0.000 1.374 201 I CB -0.529 37.452 38.000 -0.033 0.000 1.057 201 I HN 0.303 nan 8.210 nan 0.000 0.413 202 D N 0.052 120.417 120.400 -0.058 0.000 2.123 202 D HA -0.202 4.416 4.640 -0.037 0.000 0.196 202 D C 2.232 178.513 176.300 -0.032 0.000 0.992 202 D CA 1.900 55.881 54.000 -0.032 0.000 0.833 202 D CB -0.496 40.291 40.800 -0.022 0.000 0.954 202 D HN 0.241 nan 8.370 nan 0.000 0.455 203 T N -0.054 114.467 114.554 -0.055 0.000 2.777 203 T HA -0.072 4.256 4.350 -0.037 0.000 0.266 203 T C 2.189 176.864 174.700 -0.041 0.000 1.040 203 T CA 0.676 62.753 62.100 -0.039 0.000 1.141 203 T CB -0.265 68.576 68.868 -0.045 0.000 0.868 203 T HN 0.060 nan 8.240 nan 0.000 0.444 204 I N 0.751 121.279 120.570 -0.069 0.000 2.179 204 I HA -0.140 4.008 4.170 -0.037 0.000 0.242 204 I C 2.480 178.599 176.117 0.005 0.000 1.088 204 I CA 1.256 62.531 61.300 -0.042 0.000 1.357 204 I CB -0.426 37.546 38.000 -0.046 0.000 1.051 204 I HN 0.259 nan 8.210 nan 0.000 0.409 205 L N 0.590 121.817 121.223 0.007 0.000 2.013 205 L HA -0.269 4.049 4.340 -0.037 0.000 0.212 205 L C 2.884 179.767 176.870 0.022 0.000 1.073 205 L CA 1.550 56.404 54.840 0.023 0.000 0.753 205 L CB -0.817 41.251 42.059 0.014 0.000 0.890 205 L HN 0.290 nan 8.230 nan 0.000 0.432 206 A N 0.029 122.855 122.820 0.010 0.000 1.908 206 A HA -0.188 4.110 4.320 -0.037 0.000 0.218 206 A C 2.251 179.840 177.584 0.009 0.000 1.181 206 A CA 1.571 53.614 52.037 0.010 0.000 0.627 206 A CB -0.728 18.276 19.000 0.006 0.000 0.818 206 A HN 0.370 nan 8.150 nan 0.000 0.445 207 L N -0.668 120.556 121.223 0.002 0.000 2.046 207 L HA -0.158 4.160 4.340 -0.037 0.000 0.208 207 L C 2.529 179.394 176.870 -0.009 0.000 1.077 207 L CA 1.014 55.849 54.840 -0.009 0.000 0.747 207 L CB -0.511 41.536 42.059 -0.020 0.000 0.896 207 L HN 0.249 nan 8.230 nan 0.000 0.432 208 V N -0.091 119.836 119.914 0.022 0.000 2.343 208 V HA -0.301 3.797 4.120 -0.037 0.000 0.247 208 V C 2.437 178.568 176.094 0.061 0.000 1.051 208 V CA 1.759 64.096 62.300 0.060 0.000 1.036 208 V CB -0.506 31.404 31.823 0.144 0.000 0.654 208 V HN 0.412 nan 8.190 nan 0.000 0.451 209 K N -0.232 120.200 120.400 0.053 0.000 2.152 209 K HA -0.181 4.117 4.320 -0.037 0.000 0.206 209 K C 1.490 178.114 176.600 0.039 0.000 1.048 209 K CA 1.620 57.939 56.287 0.053 0.000 0.933 209 K CB -0.149 32.375 32.500 0.039 0.000 0.721 209 K HN 0.453 nan 8.250 nan 0.000 0.447 210 D N -0.315 120.095 120.400 0.016 0.000 2.360 210 D HA 0.083 4.701 4.640 -0.037 0.000 0.210 210 D C -0.082 176.211 176.300 -0.012 0.000 1.047 210 D CA 0.128 54.131 54.000 0.006 0.000 0.854 210 D CB 0.339 41.139 40.800 -0.001 0.000 0.936 210 D HN 0.110 nan 8.370 nan 0.000 0.514 211 A N 0.931 123.726 122.820 -0.042 0.000 2.401 211 A HA 0.244 4.541 4.320 -0.037 0.000 0.259 211 A C 1.184 178.734 177.584 -0.055 0.000 1.103 211 A CA -0.085 51.893 52.037 -0.099 0.000 0.789 211 A CB 0.707 19.573 19.000 -0.224 0.000 1.035 211 A HN -0.156 nan 8.150 nan 0.000 0.491 212 K N 0.809 121.187 120.400 -0.037 0.000 2.391 212 K HA 0.083 4.381 4.320 -0.037 0.000 0.197 212 K C -0.032 176.611 176.600 0.071 0.000 1.087 212 K CA 0.340 56.655 56.287 0.047 0.000 1.012 212 K CB 0.416 32.932 32.500 0.027 0.000 0.925 212 K HN 0.644 nan 8.250 nan 0.000 0.547 213 N N 1.489 120.159 118.700 -0.051 0.000 2.672 213 N HA 0.147 4.864 4.740 -0.037 0.000 0.295 213 N C -2.952 172.413 175.510 -0.242 0.000 1.924 213 N CA -1.717 51.293 53.050 -0.065 0.000 0.851 213 N CB 0.927 39.392 38.487 -0.037 0.000 1.281 213 N HN -0.111 nan 8.380 nan 0.000 0.494 214 P HA 0.201 nan 4.420 nan 0.000 0.278 214 P C -0.400 176.578 177.300 -0.536 0.000 1.238 214 P CA -0.304 62.387 63.100 -0.682 0.000 0.794 214 P CB 1.551 32.443 31.700 -1.346 0.000 0.955 215 V N 0.539 120.276 119.914 -0.296 0.000 3.040 215 V HA 0.639 4.737 4.120 -0.037 0.000 0.312 215 V C -0.533 175.553 176.094 -0.014 0.000 1.115 215 V CA -1.192 61.065 62.300 -0.071 0.000 0.998 215 V CB 2.047 33.868 31.823 -0.003 0.000 1.042 215 V HN 0.301 nan 8.190 nan 0.000 0.433 216 I N 3.022 123.641 120.570 0.083 0.000 2.404 216 I HA 0.548 4.695 4.170 -0.037 0.000 0.293 216 I C -1.054 175.111 176.117 0.080 0.000 0.992 216 I CA -0.640 60.690 61.300 0.049 0.000 1.149 216 I CB 1.817 39.826 38.000 0.014 0.000 1.315 216 I HN 0.557 nan 8.210 nan 0.000 0.446 217 L N 6.999 128.239 121.223 0.029 0.000 2.377 217 L HA 0.669 4.987 4.340 -0.037 0.000 0.270 217 L C -0.217 176.681 176.870 0.047 0.000 0.991 217 L CA -0.259 54.616 54.840 0.059 0.000 0.851 217 L CB 1.259 43.315 42.059 -0.006 0.000 1.218 217 L HN 0.650 nan 8.230 nan 0.000 0.420 218 A N 3.558 126.411 122.820 0.055 0.000 2.309 218 A HA 0.584 4.882 4.320 -0.037 0.000 0.290 218 A C -0.406 177.210 177.584 0.053 0.000 1.206 218 A CA -0.332 51.718 52.037 0.021 0.000 0.850 218 A CB 0.180 19.180 19.000 -0.001 0.000 1.118 218 A HN 0.738 nan 8.150 nan 0.000 0.523 219 D N 1.572 121.997 120.400 0.042 0.000 2.666 219 D HA 0.634 5.252 4.640 -0.037 0.000 0.252 219 D C 1.523 177.841 176.300 0.030 0.000 1.143 219 D CA 0.231 54.269 54.000 0.064 0.000 1.096 219 D CB 1.625 42.487 40.800 0.102 0.000 1.260 219 D HN 0.393 nan 8.370 nan 0.000 0.633 220 A N -0.170 122.673 122.820 0.038 0.000 1.884 220 A HA -0.232 4.066 4.320 -0.037 0.000 0.219 220 A C 2.308 179.895 177.584 0.005 0.000 1.197 220 A CA 2.207 54.256 52.037 0.020 0.000 0.637 220 A CB -1.136 17.881 19.000 0.028 0.000 0.827 220 A HN 0.638 nan 8.150 nan 0.000 0.450 221 C N -1.759 117.548 119.300 0.012 0.000 2.500 221 C HA 0.007 4.444 4.460 -0.037 0.000 0.273 221 C C 2.769 177.774 174.990 0.024 0.000 1.428 221 C CA -0.085 58.955 59.018 0.037 0.000 1.766 221 C CB -2.165 25.621 27.740 0.076 0.000 1.817 221 C HN 0.802 nan 8.230 nan 0.000 0.543 222 C N 0.448 119.739 119.300 -0.014 0.000 2.413 222 C HA -0.120 4.318 4.460 -0.037 0.000 0.277 222 C C 3.090 178.059 174.990 -0.034 0.000 1.265 222 C CA 2.172 61.164 59.018 -0.043 0.000 1.752 222 C CB -1.229 26.476 27.740 -0.059 0.000 1.998 222 C HN 0.656 nan 8.230 nan 0.000 0.489 223 S N -0.723 114.960 115.700 -0.028 0.000 2.412 223 S HA 0.063 4.511 4.470 -0.037 0.000 0.223 223 S C 2.173 176.774 174.600 0.001 0.000 1.048 223 S CA 0.384 58.572 58.200 -0.018 0.000 0.954 223 S CB -0.368 62.799 63.200 -0.055 0.000 0.840 223 S HN 0.629 nan 8.310 nan 0.000 0.503 224 R N 0.686 121.166 120.500 -0.033 0.000 2.115 224 R HA 0.085 4.402 4.340 -0.037 0.000 0.230 224 R C 0.452 176.558 176.300 -0.323 0.000 1.111 224 R CA 0.927 56.944 56.100 -0.137 0.000 0.976 224 R CB -0.684 29.526 30.300 -0.150 0.000 0.870 224 R HN 0.556 nan 8.270 nan 0.000 0.445 225 H N 0.379 119.421 119.070 -0.047 0.000 2.507 225 H HA 0.081 4.614 4.556 -0.038 0.000 0.271 225 H C -0.498 174.776 175.328 -0.090 0.000 1.224 225 H CA -0.565 55.436 56.048 -0.079 0.000 1.000 225 H CB -0.118 29.594 29.762 -0.084 0.000 1.663 225 H HN 0.103 nan 8.280 nan 0.000 0.548 226 D N 0.947 121.340 120.400 -0.011 0.000 2.689 226 D HA -0.172 4.445 4.640 -0.037 0.000 0.237 226 D C 0.467 176.749 176.300 -0.029 0.000 1.148 226 D CA 0.908 54.900 54.000 -0.013 0.000 0.656 226 D CB -1.042 39.740 40.800 -0.029 0.000 1.050 226 D HN 0.361 nan 8.370 nan 0.000 0.426 227 V N -2.825 117.064 119.914 -0.041 0.000 2.991 227 V HA 0.326 4.423 4.120 -0.037 0.000 0.355 227 V C 1.680 177.725 176.094 -0.081 0.000 1.384 227 V CA -0.110 62.144 62.300 -0.076 0.000 1.171 227 V CB 0.503 32.257 31.823 -0.116 0.000 1.190 227 V HN 0.117 nan 8.190 nan 0.000 0.540 228 K N 1.626 121.995 120.400 -0.051 0.000 2.057 228 K HA 0.017 4.315 4.320 -0.037 0.000 0.207 228 K C 2.340 178.905 176.600 -0.057 0.000 1.049 228 K CA 1.854 58.109 56.287 -0.054 0.000 0.931 228 K CB -0.245 32.239 32.500 -0.027 0.000 0.714 228 K HN 0.627 nan 8.250 nan 0.000 0.440 229 A N 1.551 124.346 122.820 -0.041 0.000 1.877 229 A HA -0.202 4.096 4.320 -0.037 0.000 0.216 229 A C 1.928 179.476 177.584 -0.061 0.000 1.186 229 A CA 1.652 53.666 52.037 -0.038 0.000 0.620 229 A CB -0.407 18.583 19.000 -0.017 0.000 0.822 229 A HN 0.205 nan 8.150 nan 0.000 0.443 230 E N -0.430 119.725 120.200 -0.075 0.000 2.110 230 E HA -0.100 4.227 4.350 -0.037 0.000 0.193 230 E C 2.066 178.580 176.600 -0.143 0.000 0.988 230 E CA 1.771 58.110 56.400 -0.102 0.000 0.804 230 E CB -0.541 29.090 29.700 -0.115 0.000 0.745 230 E HN 0.588 nan 8.360 nan 0.000 0.458 231 T N 0.580 115.041 114.554 -0.156 0.000 2.821 231 T HA -0.152 4.176 4.350 -0.037 0.000 0.267 231 T C 1.749 176.353 174.700 -0.159 0.000 1.046 231 T CA 1.333 63.324 62.100 -0.181 0.000 1.139 231 T CB -0.112 68.655 68.868 -0.169 0.000 0.871 231 T HN 0.118 nan 8.240 nan 0.000 0.454 232 K N 1.150 121.475 120.400 -0.125 0.000 2.057 232 K HA -0.107 4.191 4.320 -0.037 0.000 0.207 232 K C 2.221 178.751 176.600 -0.116 0.000 1.049 232 K CA 1.118 57.334 56.287 -0.119 0.000 0.931 232 K CB -0.000 32.457 32.500 -0.072 0.000 0.714 232 K HN 0.153 nan 8.250 nan 0.000 0.440 233 K N 0.697 121.038 120.400 -0.098 0.000 2.097 233 K HA -0.169 4.129 4.320 -0.037 0.000 0.206 233 K C 2.190 178.713 176.600 -0.128 0.000 1.049 233 K CA 1.005 57.237 56.287 -0.091 0.000 0.933 233 K CB -0.284 32.172 32.500 -0.072 0.000 0.717 233 K HN 0.157 nan 8.250 nan 0.000 0.442 234 L N 1.644 122.771 121.223 -0.159 0.000 2.046 234 L HA -0.141 4.177 4.340 -0.037 0.000 0.208 234 L C 2.058 178.785 176.870 -0.238 0.000 1.077 234 L CA 1.425 56.146 54.840 -0.198 0.000 0.747 234 L CB -0.239 41.688 42.059 -0.220 0.000 0.896 234 L HN 0.086 nan 8.230 nan 0.000 0.432 235 I N -0.670 119.764 120.570 -0.226 0.000 2.252 235 I HA -0.252 3.896 4.170 -0.037 0.000 0.245 235 I C 2.055 178.044 176.117 -0.213 0.000 1.102 235 I CA 1.164 62.307 61.300 -0.261 0.000 1.385 235 I CB -0.512 37.271 38.000 -0.362 0.000 1.064 235 I HN 0.278 nan 8.210 nan 0.000 0.414 236 D N 0.912 121.225 120.400 -0.145 0.000 2.078 236 D HA -0.124 4.494 4.640 -0.037 0.000 0.193 236 D C 2.326 178.578 176.300 -0.081 0.000 0.990 236 D CA 1.378 55.352 54.000 -0.044 0.000 0.827 236 D CB -0.287 40.502 40.800 -0.019 0.000 0.975 236 D HN 0.246 nan 8.370 nan 0.000 0.451 237 L N 0.282 121.429 121.223 -0.127 0.000 2.201 237 L HA -0.102 4.216 4.340 -0.037 0.000 0.212 237 L C 2.220 178.960 176.870 -0.217 0.000 1.105 237 L CA 0.974 55.733 54.840 -0.136 0.000 0.775 237 L CB -0.267 41.715 42.059 -0.128 0.000 0.913 237 L HN 0.033 nan 8.230 nan 0.000 0.440 238 T N -2.517 111.814 114.554 -0.372 0.000 3.033 238 T HA 0.001 4.329 4.350 -0.037 0.000 0.248 238 T C 0.776 175.165 174.700 -0.518 0.000 1.040 238 T CA 0.024 61.684 62.100 -0.733 0.000 1.133 238 T CB 0.257 68.151 68.868 -1.624 0.000 0.895 238 T HN 0.184 nan 8.240 nan 0.000 0.465 239 Q N -0.363 119.292 119.800 -0.241 0.000 2.460 239 Q HA -0.131 4.187 4.340 -0.037 0.000 0.248 239 Q C -0.759 175.377 176.000 0.226 0.000 0.847 239 Q CA 0.486 56.319 55.803 0.050 0.000 1.214 239 Q CB -2.197 26.641 28.738 0.167 0.000 1.523 239 Q HN 0.448 nan 8.270 nan 0.000 0.602 240 F N 1.170 121.080 119.950 -0.067 0.000 2.459 240 F HA 0.280 4.784 4.527 -0.037 0.000 0.346 240 F C -1.274 174.475 175.800 -0.084 0.000 1.128 240 F CA -2.567 55.332 58.000 -0.169 0.000 1.268 240 F CB -0.652 38.184 39.000 -0.273 0.000 1.161 240 F HN -0.181 nan 8.300 nan 0.000 0.583 241 P HA 0.193 nan 4.420 nan 0.000 0.264 241 P C -1.087 176.103 177.300 -0.183 0.000 1.183 241 P CA 0.161 63.226 63.100 -0.059 0.000 0.763 241 P CB 0.453 32.189 31.700 0.059 0.000 0.807 242 A N 3.293 125.820 122.820 -0.487 0.000 2.356 242 A HA 0.767 5.065 4.320 -0.037 0.000 0.310 242 A C -1.186 175.985 177.584 -0.688 0.000 1.075 242 A CA -0.370 51.451 52.037 -0.360 0.000 0.746 242 A CB 0.586 19.473 19.000 -0.188 0.000 1.221 242 A HN 0.342 nan 8.150 nan 0.000 0.443 243 F N 0.762 120.641 119.950 -0.118 0.000 2.611 243 F HA 0.765 5.270 4.527 -0.037 0.000 0.324 243 F C 0.155 175.956 175.800 0.000 0.000 1.061 243 F CA -0.923 56.993 58.000 -0.141 0.000 0.954 243 F CB 2.206 41.112 39.000 -0.156 0.000 1.301 243 F HN 0.456 nan 8.300 nan 0.000 0.482 244 V N 0.429 120.499 119.914 0.259 0.000 2.962 244 V HA 0.701 4.799 4.120 -0.037 0.000 0.313 244 V C -0.604 175.594 176.094 0.174 0.000 1.099 244 V CA -0.464 61.953 62.300 0.195 0.000 0.971 244 V CB 2.447 34.382 31.823 0.187 0.000 1.028 244 V HN 0.938 nan 8.190 nan 0.000 0.430 245 T N 2.683 117.317 114.554 0.135 0.000 2.902 245 T HA 0.500 4.828 4.350 -0.037 0.000 0.280 245 T C -2.051 172.666 174.700 0.030 0.000 0.992 245 T CA -1.634 60.534 62.100 0.112 0.000 1.015 245 T CB 1.367 70.319 68.868 0.139 0.000 1.044 245 T HN 0.476 nan 8.240 nan 0.000 0.520 246 P HA -0.091 nan 4.420 nan 0.000 0.216 246 P C 1.681 178.955 177.300 -0.043 0.000 1.153 246 P CA 1.285 64.336 63.100 -0.081 0.000 0.858 246 P CB -0.015 31.595 31.700 -0.150 0.000 0.789 247 M N -1.748 117.845 119.600 -0.013 0.000 2.394 247 M HA 0.023 4.481 4.480 -0.037 0.000 0.264 247 M C 1.613 177.919 176.300 0.010 0.000 1.073 247 M CA 1.576 56.880 55.300 0.007 0.000 1.111 247 M CB -0.397 32.216 32.600 0.022 0.000 1.401 247 M HN -0.067 nan 8.290 nan 0.000 0.448 248 G N -0.334 108.473 108.800 0.011 0.000 3.088 248 G HA2 0.026 3.964 3.960 -0.037 0.000 0.217 248 G HA3 0.026 3.964 3.960 -0.037 0.000 0.217 248 G C 0.299 175.186 174.900 -0.022 0.000 1.159 248 G CA -0.369 44.727 45.100 -0.006 0.000 0.760 248 G HN 0.245 nan 8.290 nan 0.000 0.550 249 K N 0.691 121.083 120.400 -0.013 0.000 2.472 249 K HA 0.334 4.632 4.320 -0.037 0.000 0.280 249 K C 1.386 178.017 176.600 0.052 0.000 1.028 249 K CA 1.008 57.285 56.287 -0.017 0.000 1.045 249 K CB 0.109 32.556 32.500 -0.088 0.000 0.902 249 K HN 0.238 nan 8.250 nan 0.000 0.478 250 G N 1.738 110.579 108.800 0.068 0.000 2.254 250 G HA2 -0.333 3.605 3.960 -0.037 0.000 0.225 250 G HA3 -0.333 3.605 3.960 -0.037 0.000 0.225 250 G C 0.836 175.679 174.900 -0.094 0.000 1.003 250 G CA 0.490 45.635 45.100 0.076 0.000 0.622 250 G HN 0.717 nan 8.290 nan 0.000 0.507 251 S N 0.249 115.880 115.700 -0.116 0.000 2.447 251 S HA 0.325 4.772 4.470 -0.037 0.000 0.233 251 S C 1.210 175.763 174.600 -0.077 0.000 1.006 251 S CA 1.036 59.166 58.200 -0.117 0.000 0.957 251 S CB -0.355 62.787 63.200 -0.096 0.000 0.773 251 S HN 1.654 nan 8.310 nan 0.000 0.507 252 I N -1.343 119.190 120.570 -0.062 0.000 2.646 252 I HA 0.589 4.737 4.170 -0.037 0.000 0.299 252 I C -1.642 174.405 176.117 -0.116 0.000 1.036 252 I CA -1.098 60.161 61.300 -0.069 0.000 1.074 252 I CB 1.571 39.553 38.000 -0.030 0.000 1.258 252 I HN -0.277 nan 8.210 nan 0.000 0.430 253 D N 4.711 125.049 120.400 -0.102 0.000 2.383 253 D HA 0.106 4.724 4.640 -0.037 0.000 0.252 253 D C 0.542 176.688 176.300 -0.256 0.000 1.166 253 D CA 0.207 54.139 54.000 -0.113 0.000 0.879 253 D CB 1.617 42.404 40.800 -0.023 0.000 1.164 253 D HN 0.626 nan 8.370 nan 0.000 0.462 254 E N 0.914 120.873 120.200 -0.400 0.000 2.481 254 E HA -0.073 4.255 4.350 -0.037 0.000 0.195 254 E C 0.903 177.316 176.600 -0.311 0.000 1.047 254 E CA 0.321 56.228 56.400 -0.822 0.000 0.867 254 E CB 0.380 29.608 29.700 -0.787 0.000 0.858 254 E HN 0.311 nan 8.360 nan 0.000 0.513 255 Q N -0.011 119.720 119.800 -0.115 0.000 2.319 255 Q HA 0.015 4.333 4.340 -0.037 0.000 0.202 255 Q C 0.376 176.386 176.000 0.017 0.000 0.896 255 Q CA 0.192 55.981 55.803 -0.024 0.000 0.942 255 Q CB 0.087 28.810 28.738 -0.026 0.000 1.083 255 Q HN 0.341 nan 8.270 nan 0.000 0.510 256 H N 2.418 121.468 119.070 -0.033 0.000 2.928 256 H HA 0.004 4.538 4.556 -0.037 0.000 0.338 256 H C -1.593 173.754 175.328 0.032 0.000 1.047 256 H CA -1.107 54.941 56.048 -0.000 0.000 1.435 256 H CB 1.345 31.107 29.762 0.001 0.000 1.428 256 H HN -0.133 nan 8.280 nan 0.000 0.590 257 P HA -0.079 nan 4.420 nan 0.000 0.222 257 P C 0.958 178.329 177.300 0.120 0.000 1.147 257 P CA 0.966 64.053 63.100 -0.022 0.000 0.790 257 P CB 0.381 32.009 31.700 -0.119 0.000 0.780 258 R N -2.264 118.454 120.500 0.363 0.000 2.334 258 R HA 0.131 4.449 4.340 -0.037 0.000 0.216 258 R C 0.289 176.603 176.300 0.024 0.000 0.905 258 R CA -0.448 55.769 56.100 0.196 0.000 1.064 258 R CB -1.070 29.355 30.300 0.207 0.000 1.046 258 R HN 0.309 nan 8.270 nan 0.000 0.508 259 Y N 0.563 120.847 120.300 -0.028 0.000 2.465 259 Y HA 0.249 4.776 4.550 -0.037 0.000 0.331 259 Y C 1.338 177.072 175.900 -0.276 0.000 1.102 259 Y CA 0.140 58.130 58.100 -0.184 0.000 1.358 259 Y CB 0.927 39.336 38.460 -0.085 0.000 1.213 259 Y HN 0.082 nan 8.280 nan 0.000 0.525 260 G N 2.753 110.782 108.800 -1.285 0.000 2.939 260 G HA2 0.464 4.402 3.960 -0.037 0.000 0.216 260 G HA3 0.464 4.402 3.960 -0.037 0.000 0.216 260 G C 0.344 174.796 174.900 -0.746 0.000 1.125 260 G CA 0.286 44.740 45.100 -1.077 0.000 0.766 260 G HN 1.340 nan 8.290 nan 0.000 0.541 261 G N -1.200 106.825 108.800 -1.291 0.000 2.331 261 G HA2 0.169 4.107 3.960 -0.037 0.000 0.402 261 G HA3 0.169 4.107 3.960 -0.037 0.000 0.402 261 G C -1.291 173.579 174.900 -0.050 0.000 1.275 261 G CA -0.343 44.481 45.100 -0.459 0.000 1.003 261 G HN 0.650 nan 8.290 nan 0.000 0.500 262 V N 0.978 120.945 119.914 0.088 0.000 2.364 262 V HA 0.493 4.591 4.120 -0.037 0.000 0.272 262 V C -0.320 175.845 176.094 0.118 0.000 1.036 262 V CA -0.447 61.916 62.300 0.106 0.000 0.880 262 V CB 1.018 32.849 31.823 0.013 0.000 0.991 262 V HN 0.813 nan 8.190 nan 0.000 0.460 263 Y N 5.536 125.840 120.300 0.007 0.000 2.367 263 Y HA 0.537 5.065 4.550 -0.037 0.000 0.342 263 Y C 0.222 176.114 175.900 -0.013 0.000 0.979 263 Y CA -0.649 57.408 58.100 -0.072 0.000 1.161 263 Y CB 1.414 39.759 38.460 -0.192 0.000 1.155 263 Y HN 0.378 nan 8.280 nan 0.000 0.503 264 V N 6.696 126.311 119.914 -0.499 0.000 2.711 264 V HA 0.403 4.501 4.120 -0.037 0.000 0.335 264 V C 0.941 176.778 176.094 -0.428 0.000 1.235 264 V CA -0.137 61.948 62.300 -0.357 0.000 1.250 264 V CB -0.357 31.347 31.823 -0.198 0.000 1.469 264 V HN 1.230 nan 8.190 nan 0.000 0.646 265 G N 2.699 110.976 108.800 -0.872 0.000 2.611 265 G HA2 -0.411 3.527 3.960 -0.037 0.000 0.301 265 G HA3 -0.411 3.527 3.960 -0.037 0.000 0.301 265 G C 1.191 175.950 174.900 -0.234 0.000 1.233 265 G CA 1.317 46.159 45.100 -0.430 0.000 0.993 265 G HN 1.075 nan 8.290 nan 0.000 0.553 266 T N -0.233 114.268 114.554 -0.087 0.000 3.072 266 T HA 0.240 4.568 4.350 -0.037 0.000 0.266 266 T C 2.254 176.929 174.700 -0.042 0.000 1.127 266 T CA 1.675 63.751 62.100 -0.040 0.000 1.107 266 T CB -0.105 68.759 68.868 -0.006 0.000 0.910 266 T HN 0.582 nan 8.240 nan 0.000 0.513 267 L N 1.393 122.577 121.223 -0.065 0.000 2.591 267 L HA 0.240 4.558 4.340 -0.037 0.000 0.228 267 L C 0.782 177.614 176.870 -0.063 0.000 1.133 267 L CA -0.364 54.451 54.840 -0.042 0.000 0.880 267 L CB -0.392 41.654 42.059 -0.022 0.000 1.033 267 L HN 0.166 nan 8.230 nan 0.000 0.450 268 S N 0.133 115.777 115.700 -0.093 0.000 2.593 268 S HA 0.151 4.599 4.470 -0.037 0.000 0.269 268 S C 0.321 174.909 174.600 -0.020 0.000 1.334 268 S CA -0.525 57.636 58.200 -0.064 0.000 1.015 268 S CB 0.744 63.911 63.200 -0.055 0.000 0.912 268 S HN 0.158 nan 8.310 nan 0.000 0.541 269 K N 2.376 122.774 120.400 -0.004 0.000 2.530 269 K HA -0.028 4.270 4.320 -0.037 0.000 0.280 269 K C -1.690 174.919 176.600 0.015 0.000 1.004 269 K CA -0.840 55.452 56.287 0.009 0.000 1.071 269 K CB 0.006 32.516 32.500 0.017 0.000 0.876 269 K HN 0.312 nan 8.250 nan 0.000 0.487 270 P HA -0.227 nan 4.420 nan 0.000 0.216 270 P C 0.470 177.779 177.300 0.015 0.000 1.154 270 P CA 1.376 64.483 63.100 0.013 0.000 0.865 270 P CB 0.217 31.924 31.700 0.011 0.000 0.789 271 E N -0.795 119.416 120.200 0.020 0.000 2.153 271 E HA -0.110 4.217 4.350 -0.037 0.000 0.194 271 E C 1.901 178.519 176.600 0.030 0.000 0.988 271 E CA 0.958 57.373 56.400 0.024 0.000 0.811 271 E CB -0.404 29.314 29.700 0.030 0.000 0.746 271 E HN 0.083 nan 8.360 nan 0.000 0.466 272 V N 1.581 121.520 119.914 0.042 0.000 2.358 272 V HA -0.242 3.856 4.120 -0.037 0.000 0.246 272 V C 2.381 178.449 176.094 -0.043 0.000 1.047 272 V CA 1.656 63.983 62.300 0.046 0.000 1.035 272 V CB -0.432 31.449 31.823 0.096 0.000 0.658 272 V HN 0.201 nan 8.190 nan 0.000 0.452 273 K N 0.525 120.946 120.400 0.034 0.000 2.009 273 K HA -0.286 4.012 4.320 -0.037 0.000 0.210 273 K C 2.227 178.819 176.600 -0.013 0.000 1.049 273 K CA 2.202 58.544 56.287 0.091 0.000 0.929 273 K CB -0.136 32.405 32.500 0.069 0.000 0.714 273 K HN 0.456 nan 8.250 nan 0.000 0.440 274 E N 0.648 120.832 120.200 -0.027 0.000 2.150 274 E HA -0.109 4.219 4.350 -0.037 0.000 0.193 274 E C 1.545 178.089 176.600 -0.094 0.000 0.985 274 E CA 1.531 57.905 56.400 -0.044 0.000 0.814 274 E CB -0.235 29.454 29.700 -0.017 0.000 0.752 274 E HN 0.381 nan 8.360 nan 0.000 0.466 275 A N 0.092 122.841 122.820 -0.118 0.000 1.930 275 A HA -0.048 4.250 4.320 -0.037 0.000 0.217 275 A C 2.450 179.836 177.584 -0.329 0.000 1.175 275 A CA 1.423 53.385 52.037 -0.126 0.000 0.627 275 A CB -0.506 18.514 19.000 0.033 0.000 0.815 275 A HN 0.202 nan 8.150 nan 0.000 0.443 276 V N 0.024 119.566 119.914 -0.620 0.000 2.346 276 V HA -0.181 3.917 4.120 -0.037 0.000 0.244 276 V C 2.191 177.986 176.094 -0.499 0.000 1.037 276 V CA 2.026 63.818 62.300 -0.847 0.000 1.029 276 V CB -0.704 30.283 31.823 -1.393 0.000 0.663 276 V HN 0.627 nan 8.190 nan 0.000 0.454 277 E N 0.639 120.656 120.200 -0.305 0.000 2.427 277 E HA -0.095 4.233 4.350 -0.037 0.000 0.196 277 E C 2.045 178.599 176.600 -0.075 0.000 1.028 277 E CA 1.070 57.410 56.400 -0.100 0.000 0.864 277 E CB -0.077 29.624 29.700 0.000 0.000 0.813 277 E HN 0.718 nan 8.360 nan 0.000 0.514 278 S N 0.318 115.952 115.700 -0.111 0.000 2.558 278 S HA 0.225 4.673 4.470 -0.037 0.000 0.217 278 S C 1.015 175.557 174.600 -0.096 0.000 0.975 278 S CA -0.187 57.967 58.200 -0.077 0.000 0.912 278 S CB 0.176 63.342 63.200 -0.057 0.000 0.776 278 S HN 0.183 nan 8.310 nan 0.000 0.526 279 A N 2.781 125.508 122.820 -0.154 0.000 2.531 279 A HA 0.306 4.604 4.320 -0.037 0.000 0.236 279 A C 0.974 178.469 177.584 -0.148 0.000 1.062 279 A CA 0.261 52.191 52.037 -0.177 0.000 0.760 279 A CB 0.097 18.936 19.000 -0.268 0.000 0.995 279 A HN 0.553 nan 8.150 nan 0.000 0.501 280 D N 0.303 120.618 120.400 -0.142 0.000 2.363 280 D HA 0.291 4.909 4.640 -0.037 0.000 0.214 280 D C -0.229 175.988 176.300 -0.139 0.000 1.093 280 D CA 0.005 53.936 54.000 -0.115 0.000 0.837 280 D CB 0.057 40.807 40.800 -0.083 0.000 0.948 280 D HN 0.297 nan 8.370 nan 0.000 0.507 281 L N -0.058 121.049 121.223 -0.194 0.000 2.592 281 L HA 0.476 4.794 4.340 -0.037 0.000 0.258 281 L C -2.137 174.590 176.870 -0.239 0.000 0.926 281 L CA -0.737 53.985 54.840 -0.196 0.000 0.885 281 L CB 2.063 44.001 42.059 -0.202 0.000 1.380 281 L HN -0.056 nan 8.230 nan 0.000 0.415 282 I N 5.826 126.260 120.570 -0.226 0.000 2.410 282 I HA 0.375 4.523 4.170 -0.037 0.000 0.286 282 I C -0.748 175.304 176.117 -0.109 0.000 1.009 282 I CA -0.523 60.629 61.300 -0.248 0.000 1.111 282 I CB 1.691 39.415 38.000 -0.460 0.000 1.262 282 I HN 0.457 nan 8.210 nan 0.000 0.443 283 L N 5.652 126.862 121.223 -0.023 0.000 2.302 283 L HA 0.276 4.593 4.340 -0.037 0.000 0.285 283 L C 0.513 177.449 176.870 0.110 0.000 1.090 283 L CA -0.061 54.866 54.840 0.144 0.000 0.866 283 L CB 0.761 42.935 42.059 0.193 0.000 1.244 283 L HN 0.559 nan 8.230 nan 0.000 0.435 284 S N 3.145 118.926 115.700 0.135 0.000 2.411 284 S HA 0.398 4.846 4.470 -0.037 0.000 0.294 284 S C -0.202 174.472 174.600 0.124 0.000 1.115 284 S CA -0.585 57.662 58.200 0.079 0.000 1.071 284 S CB 0.694 63.924 63.200 0.049 0.000 0.967 284 S HN 0.288 nan 8.310 nan 0.000 0.488 285 V N 5.351 125.272 119.914 0.013 0.000 2.288 285 V HA 0.592 4.690 4.120 -0.037 0.000 0.266 285 V C 1.127 177.181 176.094 -0.068 0.000 1.048 285 V CA 0.130 62.386 62.300 -0.073 0.000 0.842 285 V CB 0.026 31.721 31.823 -0.214 0.000 1.064 285 V HN 1.237 nan 8.190 nan 0.000 0.472 286 G N 4.090 112.813 108.800 -0.128 0.000 2.204 286 G HA2 -0.035 3.903 3.960 -0.037 0.000 0.244 286 G HA3 -0.035 3.903 3.960 -0.037 0.000 0.244 286 G C 0.347 175.257 174.900 0.016 0.000 1.062 286 G CA -0.066 44.986 45.100 -0.081 0.000 0.798 286 G HN 1.428 nan 8.290 nan 0.000 0.496 287 A N -0.447 122.388 122.820 0.026 0.000 2.561 287 A HA 0.551 4.849 4.320 -0.037 0.000 0.234 287 A C 0.496 178.220 177.584 0.233 0.000 1.055 287 A CA 0.940 53.089 52.037 0.187 0.000 0.756 287 A CB 0.528 19.679 19.000 0.251 0.000 0.986 287 A HN 1.552 nan 8.150 nan 0.000 0.505 288 L N 3.396 124.710 121.223 0.151 0.000 2.529 288 L HA 0.336 4.654 4.340 -0.037 0.000 0.260 288 L C -0.820 176.095 176.870 0.075 0.000 0.997 288 L CA -0.433 54.472 54.840 0.109 0.000 0.885 288 L CB 0.902 43.006 42.059 0.074 0.000 1.185 288 L HN 0.727 nan 8.230 nan 0.000 0.442 289 L N 3.613 124.879 121.223 0.070 0.000 2.796 289 L HA 0.210 4.528 4.340 -0.037 0.000 0.235 289 L C 0.993 177.904 176.870 0.068 0.000 1.344 289 L CA -0.152 54.693 54.840 0.008 0.000 1.245 289 L CB -0.174 41.886 42.059 0.001 0.000 1.556 289 L HN 0.623 nan 8.230 nan 0.000 0.423 290 S N -2.110 113.590 115.700 0.001 0.000 2.624 290 S HA 0.070 4.518 4.470 -0.037 0.000 0.263 290 S C 1.102 175.474 174.600 -0.381 0.000 1.287 290 S CA -0.319 57.852 58.200 -0.048 0.000 0.990 290 S CB 1.187 64.356 63.200 -0.052 0.000 0.950 290 S HN 0.500 nan 8.310 nan 0.000 0.561 291 D N 1.375 121.365 120.400 -0.684 0.000 2.087 291 D HA -0.207 4.411 4.640 -0.037 0.000 0.192 291 D C 1.402 177.330 176.300 -0.621 0.000 0.993 291 D CA 1.487 54.749 54.000 -1.231 0.000 0.828 291 D CB -0.776 39.399 40.800 -1.041 0.000 0.968 291 D HN 0.504 nan 8.370 nan 0.000 0.448 292 F N 0.435 120.181 119.950 -0.341 0.000 2.325 292 F HA 0.058 4.564 4.527 -0.036 0.000 0.299 292 F C 2.152 177.773 175.800 -0.299 0.000 1.090 292 F CA 0.413 58.247 58.000 -0.278 0.000 1.392 292 F CB -1.268 37.602 39.000 -0.217 0.000 1.053 292 F HN -0.001 nan 8.300 nan 0.000 0.521 293 N N -0.123 118.523 118.700 -0.089 0.000 2.396 293 N HA -0.114 4.604 4.740 -0.037 0.000 0.180 293 N C 1.234 176.684 175.510 -0.101 0.000 1.028 293 N CA 1.455 54.451 53.050 -0.090 0.000 0.893 293 N CB -0.105 38.352 38.487 -0.049 0.000 0.967 293 N HN 0.229 nan 8.380 nan 0.000 0.440 294 T N -3.961 110.473 114.554 -0.200 0.000 3.228 294 T HA 0.356 4.684 4.350 -0.037 0.000 0.278 294 T C 0.807 175.418 174.700 -0.147 0.000 1.014 294 T CA -0.098 61.868 62.100 -0.224 0.000 0.904 294 T CB -0.220 68.341 68.868 -0.513 0.000 1.110 294 T HN 0.157 nan 8.240 nan 0.000 0.541 295 G N 1.475 110.200 108.800 -0.125 0.000 2.366 295 G HA2 -0.217 3.721 3.960 -0.037 0.000 0.299 295 G HA3 -0.217 3.721 3.960 -0.037 0.000 0.299 295 G C 0.398 175.259 174.900 -0.065 0.000 1.020 295 G CA 0.073 45.132 45.100 -0.067 0.000 1.026 295 G HN 1.348 nan 8.290 nan 0.000 0.512 296 S N -1.829 113.772 115.700 -0.165 0.000 3.797 296 S HA -0.241 4.207 4.470 -0.037 0.000 0.374 296 S C 1.021 175.526 174.600 -0.158 0.000 0.970 296 S CA 1.006 59.054 58.200 -0.253 0.000 1.177 296 S CB -1.988 61.193 63.200 -0.031 0.000 0.891 296 S HN 1.937 nan 8.310 nan 0.000 0.491 297 F N -1.480 118.419 119.950 -0.085 0.000 3.091 297 F HA -0.288 4.217 4.527 -0.037 0.000 0.288 297 F C 1.350 177.106 175.800 -0.074 0.000 0.907 297 F CA 0.650 58.574 58.000 -0.126 0.000 1.028 297 F CB -2.246 36.690 39.000 -0.107 0.000 1.022 297 F HN 0.633 nan 8.300 nan 0.000 0.665 298 S N -2.556 113.192 115.700 0.080 0.000 2.577 298 S HA 0.151 4.599 4.470 -0.037 0.000 0.219 298 S C 0.346 175.032 174.600 0.143 0.000 0.962 298 S CA -0.454 57.799 58.200 0.088 0.000 0.921 298 S CB -0.099 63.126 63.200 0.041 0.000 0.789 298 S HN 0.261 nan 8.310 nan 0.000 0.497 299 Y N 2.320 122.576 120.300 -0.073 0.000 2.895 299 Y HA 0.228 4.756 4.550 -0.036 0.000 0.334 299 Y C 1.367 177.150 175.900 -0.195 0.000 1.261 299 Y CA -0.643 57.383 58.100 -0.124 0.000 1.560 299 Y CB 0.383 38.714 38.460 -0.215 0.000 1.253 299 Y HN 0.331 nan 8.280 nan 0.000 0.582 300 S N 3.018 118.675 115.700 -0.073 0.000 3.073 300 S HA 0.167 4.615 4.470 -0.037 0.000 0.252 300 S C -1.038 173.532 174.600 -0.050 0.000 0.953 300 S CA -0.586 57.576 58.200 -0.064 0.000 1.105 300 S CB -0.669 62.536 63.200 0.008 0.000 1.070 300 S HN 0.441 nan 8.310 nan 0.000 0.574 301 Y N 0.889 121.202 120.300 0.022 0.000 2.425 301 Y HA 0.610 5.137 4.550 -0.037 0.000 0.331 301 Y C 0.948 176.837 175.900 -0.018 0.000 1.157 301 Y CA -0.799 57.270 58.100 -0.051 0.000 1.372 301 Y CB 0.527 38.899 38.460 -0.147 0.000 1.253 301 Y HN -0.190 nan 8.280 nan 0.000 0.536 302 K N 1.130 121.629 120.400 0.165 0.000 2.360 302 K HA 0.056 4.354 4.320 -0.037 0.000 0.196 302 K C 0.295 176.948 176.600 0.088 0.000 1.049 302 K CA 0.624 56.970 56.287 0.098 0.000 1.049 302 K CB -0.115 32.413 32.500 0.046 0.000 0.881 302 K HN 0.972 nan 8.250 nan 0.000 0.542 303 T N 0.466 115.066 114.554 0.077 0.000 2.946 303 T HA 0.074 4.402 4.350 -0.037 0.000 0.311 303 T C 1.001 175.736 174.700 0.058 0.000 1.063 303 T CA -0.072 62.046 62.100 0.030 0.000 1.139 303 T CB 0.873 69.720 68.868 -0.036 0.000 0.994 303 T HN -0.132 nan 8.240 nan 0.000 0.547 304 K N 1.351 121.770 120.400 0.031 0.000 2.365 304 K HA 0.055 4.353 4.320 -0.037 0.000 0.197 304 K C 0.384 176.995 176.600 0.018 0.000 1.042 304 K CA 0.217 56.526 56.287 0.037 0.000 0.987 304 K CB -0.113 32.402 32.500 0.025 0.000 0.779 304 K HN 0.568 nan 8.250 nan 0.000 0.484 305 N N 2.265 120.957 118.700 -0.014 0.000 3.050 305 N HA 0.053 4.771 4.740 -0.037 0.000 0.289 305 N C -0.537 174.934 175.510 -0.065 0.000 1.209 305 N CA 0.262 53.290 53.050 -0.037 0.000 1.154 305 N CB 0.174 38.629 38.487 -0.053 0.000 1.444 305 N HN 0.001 nan 8.380 nan 0.000 0.529 306 I N 1.348 121.897 120.570 -0.034 0.000 2.339 306 I HA 0.273 4.421 4.170 -0.037 0.000 0.290 306 I C 0.294 176.391 176.117 -0.034 0.000 0.994 306 I CA -0.980 60.290 61.300 -0.050 0.000 1.191 306 I CB 1.285 39.298 38.000 0.022 0.000 1.343 306 I HN -0.161 nan 8.210 nan 0.000 0.458 307 V N 6.647 126.522 119.914 -0.064 0.000 2.328 307 V HA 0.291 4.389 4.120 -0.037 0.000 0.278 307 V C 0.289 176.301 176.094 -0.137 0.000 1.021 307 V CA -0.706 61.515 62.300 -0.131 0.000 0.838 307 V CB 1.144 32.855 31.823 -0.186 0.000 0.999 307 V HN 0.627 nan 8.190 nan 0.000 0.447 308 E N 4.904 125.014 120.200 -0.150 0.000 2.081 308 E HA 0.390 4.718 4.350 -0.037 0.000 0.276 308 E C -1.162 175.223 176.600 -0.358 0.000 0.950 308 E CA -0.317 55.987 56.400 -0.160 0.000 0.776 308 E CB 1.276 30.998 29.700 0.036 0.000 1.094 308 E HN 0.526 nan 8.360 nan 0.000 0.402 309 F N 3.252 122.990 119.950 -0.353 0.000 2.420 309 F HA 0.223 4.728 4.527 -0.037 0.000 0.352 309 F C 0.994 176.430 175.800 -0.606 0.000 1.108 309 F CA -0.153 57.642 58.000 -0.342 0.000 1.162 309 F CB 0.623 39.486 39.000 -0.227 0.000 1.118 309 F HN 0.362 nan 8.300 nan 0.000 0.510 310 H N 0.114 119.106 119.070 -0.130 0.000 2.894 310 H HA 0.173 4.707 4.556 -0.035 0.000 0.368 310 H C 0.684 175.893 175.328 -0.199 0.000 1.181 310 H CA -0.300 55.610 56.048 -0.229 0.000 1.146 310 H CB 2.008 31.459 29.762 -0.518 0.000 1.839 310 H HN 0.544 nan 8.280 nan 0.000 0.557 311 S N -0.018 115.611 115.700 -0.118 0.000 2.419 311 S HA -0.168 4.280 4.470 -0.037 0.000 0.233 311 S C 0.914 175.430 174.600 -0.139 0.000 1.016 311 S CA 1.655 59.700 58.200 -0.257 0.000 0.974 311 S CB -0.069 62.653 63.200 -0.797 0.000 0.786 311 S HN 0.740 nan 8.310 nan 0.000 0.492 312 D N 0.515 120.898 120.400 -0.028 0.000 2.469 312 D HA 0.094 4.712 4.640 -0.037 0.000 0.213 312 D C 0.492 176.921 176.300 0.214 0.000 1.135 312 D CA -0.117 53.931 54.000 0.079 0.000 0.834 312 D CB -0.229 40.626 40.800 0.090 0.000 1.009 312 D HN 0.733 nan 8.370 nan 0.000 0.507 313 H N -2.367 116.740 119.070 0.061 0.000 2.935 313 H HA 0.414 4.949 4.556 -0.036 0.000 0.297 313 H C -1.675 173.740 175.328 0.146 0.000 1.423 313 H CA -0.881 55.225 56.048 0.097 0.000 1.161 313 H CB 0.367 30.170 29.762 0.069 0.000 1.841 313 H HN -0.223 nan 8.280 nan 0.000 0.506 314 M N 1.401 121.080 119.600 0.131 0.000 2.602 314 M HA 0.454 4.911 4.480 -0.037 0.000 0.312 314 M C -0.427 176.049 176.300 0.294 0.000 1.181 314 M CA -0.603 54.722 55.300 0.043 0.000 0.910 314 M CB 2.470 35.027 32.600 -0.072 0.000 1.723 314 M HN 0.697 nan 8.290 nan 0.000 0.459 315 K N 2.271 122.783 120.400 0.187 0.000 2.443 315 K HA 0.768 5.066 4.320 -0.037 0.000 0.252 315 K C -1.845 174.837 176.600 0.137 0.000 0.933 315 K CA -0.441 55.991 56.287 0.242 0.000 0.792 315 K CB 1.892 34.531 32.500 0.232 0.000 1.185 315 K HN 0.716 nan 8.250 nan 0.000 0.425 316 I N 5.313 126.008 120.570 0.209 0.000 2.447 316 I HA 0.356 4.504 4.170 -0.037 0.000 0.287 316 I C 0.378 176.555 176.117 0.100 0.000 1.023 316 I CA -0.762 60.607 61.300 0.115 0.000 1.083 316 I CB 1.753 39.834 38.000 0.135 0.000 1.245 316 I HN 0.876 nan 8.210 nan 0.000 0.434 317 R N 3.418 123.951 120.500 0.056 0.000 3.793 317 R HA -0.280 4.038 4.340 -0.037 0.000 0.464 317 R C 0.584 176.914 176.300 0.051 0.000 0.241 317 R CA 1.812 57.941 56.100 0.048 0.000 1.464 317 R CB -0.894 29.427 30.300 0.036 0.000 0.954 317 R HN 0.665 nan 8.270 nan 0.000 0.583 318 N N 1.294 120.011 118.700 0.029 0.000 2.353 318 N HA 0.157 4.874 4.740 -0.037 0.000 0.185 318 N C -0.166 175.329 175.510 -0.025 0.000 1.098 318 N CA 0.739 53.794 53.050 0.009 0.000 0.872 318 N CB 0.551 39.036 38.487 -0.003 0.000 0.970 318 N HN 0.448 nan 8.380 nan 0.000 0.467 319 A N 1.081 123.882 122.820 -0.032 0.000 2.409 319 A HA 0.397 4.695 4.320 -0.037 0.000 0.267 319 A C 0.247 177.708 177.584 -0.205 0.000 1.127 319 A CA 0.140 52.072 52.037 -0.175 0.000 0.795 319 A CB 0.325 19.213 19.000 -0.186 0.000 1.061 319 A HN -0.020 nan 8.150 nan 0.000 0.502 320 T N 2.183 116.538 114.554 -0.333 0.000 2.859 320 T HA 0.585 4.913 4.350 -0.037 0.000 0.281 320 T C -0.923 173.512 174.700 -0.441 0.000 1.005 320 T CA 0.157 62.139 62.100 -0.197 0.000 1.025 320 T CB 0.427 69.246 68.868 -0.082 0.000 0.977 320 T HN 0.342 nan 8.240 nan 0.000 0.458 321 F N 3.210 123.203 119.950 0.072 0.000 2.564 321 F HA 0.355 4.860 4.527 -0.037 0.000 0.368 321 F C -2.367 173.486 175.800 0.088 0.000 1.127 321 F CA -2.516 55.517 58.000 0.055 0.000 1.170 321 F CB 0.900 39.920 39.000 0.033 0.000 1.397 321 F HN 0.258 nan 8.300 nan 0.000 0.493 322 P HA 0.206 nan 4.420 nan 0.000 0.268 322 P C 0.956 178.341 177.300 0.141 0.000 1.205 322 P CA 0.815 63.984 63.100 0.115 0.000 0.771 322 P CB 1.018 32.733 31.700 0.026 0.000 0.858 323 G N 1.288 110.174 108.800 0.142 0.000 2.234 323 G HA2 -0.235 3.703 3.960 -0.037 0.000 0.260 323 G HA3 -0.235 3.703 3.960 -0.037 0.000 0.260 323 G C 0.058 175.036 174.900 0.130 0.000 0.987 323 G CA -0.016 45.155 45.100 0.118 0.000 0.625 323 G HN 0.524 nan 8.290 nan 0.000 0.532 324 V N 2.510 122.517 119.914 0.154 0.000 2.387 324 V HA 0.334 4.432 4.120 -0.037 0.000 0.260 324 V C 0.694 176.840 176.094 0.086 0.000 1.054 324 V CA 0.018 62.389 62.300 0.118 0.000 0.967 324 V CB 0.943 32.821 31.823 0.092 0.000 1.036 324 V HN 0.486 nan 8.190 nan 0.000 0.481 325 Q N 4.915 124.767 119.800 0.087 0.000 2.286 325 Q HA 0.269 4.587 4.340 -0.037 0.000 0.257 325 Q C 1.369 177.358 176.000 -0.019 0.000 0.941 325 Q CA -0.264 55.550 55.803 0.019 0.000 0.912 325 Q CB 1.332 30.074 28.738 0.006 0.000 1.192 325 Q HN 0.867 nan 8.270 nan 0.000 0.410 326 M N 0.929 120.508 119.600 -0.035 0.000 2.202 326 M HA -0.180 4.277 4.480 -0.037 0.000 0.262 326 M C 1.592 177.859 176.300 -0.055 0.000 1.063 326 M CA 1.580 56.904 55.300 0.039 0.000 1.097 326 M CB -0.277 32.385 32.600 0.102 0.000 1.382 326 M HN 0.389 nan 8.290 nan 0.000 0.413 327 K N 1.359 121.607 120.400 -0.253 0.000 2.015 327 K HA -0.149 4.148 4.320 -0.037 0.000 0.216 327 K C 1.308 177.708 176.600 -0.334 0.000 1.052 327 K CA 2.347 58.375 56.287 -0.431 0.000 0.937 327 K CB -0.613 31.387 32.500 -0.834 0.000 0.719 327 K HN 0.502 nan 8.250 nan 0.000 0.446 328 F N -0.429 119.538 119.950 0.029 0.000 2.335 328 F HA 0.057 4.562 4.527 -0.037 0.000 0.296 328 F C 2.183 177.999 175.800 0.026 0.000 1.091 328 F CA 0.263 58.277 58.000 0.023 0.000 1.399 328 F CB -0.796 38.215 39.000 0.019 0.000 1.067 328 F HN -0.180 nan 8.300 nan 0.000 0.520 329 V N 0.516 120.534 119.914 0.172 0.000 2.287 329 V HA -0.296 3.802 4.120 -0.037 0.000 0.248 329 V C 2.467 178.649 176.094 0.148 0.000 1.053 329 V CA 1.717 64.098 62.300 0.134 0.000 1.027 329 V CB -0.759 31.129 31.823 0.109 0.000 0.646 329 V HN 0.302 nan 8.190 nan 0.000 0.447 330 L N -0.822 120.473 121.223 0.120 0.000 2.017 330 L HA -0.256 4.062 4.340 -0.037 0.000 0.208 330 L C 2.686 179.567 176.870 0.018 0.000 1.073 330 L CA 1.763 56.617 54.840 0.023 0.000 0.745 330 L CB -0.538 41.451 42.059 -0.116 0.000 0.894 330 L HN 0.349 nan 8.230 nan 0.000 0.432 331 Q N -0.193 119.637 119.800 0.050 0.000 2.050 331 Q HA -0.227 4.091 4.340 -0.037 0.000 0.202 331 Q C 2.231 178.267 176.000 0.060 0.000 0.980 331 Q CA 1.651 57.493 55.803 0.064 0.000 0.840 331 Q CB 0.051 28.870 28.738 0.135 0.000 0.898 331 Q HN 0.430 nan 8.270 nan 0.000 0.424 332 K N 0.245 120.692 120.400 0.080 0.000 2.167 332 K HA -0.028 4.270 4.320 -0.037 0.000 0.203 332 K C 2.065 178.687 176.600 0.037 0.000 1.052 332 K CA 0.452 56.771 56.287 0.053 0.000 0.956 332 K CB -0.050 32.483 32.500 0.056 0.000 0.735 332 K HN 0.199 nan 8.250 nan 0.000 0.451 333 L N 1.361 122.613 121.223 0.047 0.000 2.042 333 L HA -0.204 4.114 4.340 -0.037 0.000 0.210 333 L C 2.098 178.976 176.870 0.013 0.000 1.076 333 L CA 1.447 56.312 54.840 0.042 0.000 0.749 333 L CB -0.251 41.860 42.059 0.085 0.000 0.893 333 L HN 0.257 nan 8.230 nan 0.000 0.432 334 L N -0.883 120.340 121.223 -0.001 0.000 2.191 334 L HA -0.226 4.092 4.340 -0.037 0.000 0.212 334 L C 2.404 179.263 176.870 -0.018 0.000 1.103 334 L CA 1.382 56.207 54.840 -0.025 0.000 0.769 334 L CB -0.749 41.291 42.059 -0.033 0.000 0.908 334 L HN 0.265 nan 8.230 nan 0.000 0.438 335 T N -0.560 113.992 114.554 -0.003 0.000 2.803 335 T HA -0.135 4.193 4.350 -0.037 0.000 0.269 335 T C 1.488 176.185 174.700 -0.004 0.000 1.052 335 T CA 1.339 63.438 62.100 -0.002 0.000 1.136 335 T CB -0.101 68.770 68.868 0.006 0.000 0.864 335 T HN 0.362 nan 8.240 nan 0.000 0.467 336 N N -0.432 118.266 118.700 -0.003 0.000 2.159 336 N HA 0.236 4.954 4.740 -0.037 0.000 0.217 336 N C 1.345 176.852 175.510 -0.005 0.000 1.223 336 N CA -0.069 52.980 53.050 -0.002 0.000 0.896 336 N CB 0.426 38.916 38.487 0.004 0.000 1.064 336 N HN 0.231 nan 8.380 nan 0.000 0.518 337 I N 2.030 122.591 120.570 -0.016 0.000 2.286 337 I HA -0.193 3.955 4.170 -0.037 0.000 0.248 337 I C 2.183 178.271 176.117 -0.047 0.000 1.115 337 I CA 0.951 62.234 61.300 -0.029 0.000 1.392 337 I CB 0.033 38.000 38.000 -0.055 0.000 1.065 337 I HN 0.062 nan 8.210 nan 0.000 0.418 338 A N -0.491 122.299 122.820 -0.050 0.000 1.902 338 A HA -0.300 3.998 4.320 -0.037 0.000 0.217 338 A C 2.101 179.676 177.584 -0.015 0.000 1.181 338 A CA 2.261 54.269 52.037 -0.050 0.000 0.623 338 A CB -1.013 17.962 19.000 -0.041 0.000 0.818 338 A HN 0.539 nan 8.150 nan 0.000 0.443 339 D N -0.716 119.683 120.400 -0.002 0.000 2.144 339 D HA 0.051 4.669 4.640 -0.037 0.000 0.200 339 D C 2.039 178.357 176.300 0.030 0.000 0.978 339 D CA 1.179 55.188 54.000 0.014 0.000 0.833 339 D CB -0.129 40.679 40.800 0.012 0.000 0.961 339 D HN 0.356 nan 8.370 nan 0.000 0.470 340 A N 0.403 123.242 122.820 0.031 0.000 1.940 340 A HA -0.029 4.269 4.320 -0.037 0.000 0.219 340 A C 2.203 179.843 177.584 0.095 0.000 1.176 340 A CA 1.904 53.974 52.037 0.054 0.000 0.631 340 A CB -0.770 18.261 19.000 0.052 0.000 0.814 340 A HN 0.317 nan 8.150 nan 0.000 0.446 341 A N -1.313 121.560 122.820 0.087 0.000 2.275 341 A HA 0.209 4.507 4.320 -0.037 0.000 0.212 341 A C 1.764 179.448 177.584 0.167 0.000 1.201 341 A CA 1.113 53.247 52.037 0.162 0.000 0.843 341 A CB -0.292 18.695 19.000 -0.023 0.000 0.873 341 A HN 0.481 nan 8.150 nan 0.000 0.492 342 K N 0.097 120.556 120.400 0.099 0.000 2.152 342 K HA -0.128 4.170 4.320 -0.037 0.000 0.206 342 K C 1.777 178.440 176.600 0.105 0.000 1.048 342 K CA 1.537 57.873 56.287 0.083 0.000 0.933 342 K CB -0.387 32.142 32.500 0.048 0.000 0.721 342 K HN 0.406 nan 8.250 nan 0.000 0.447 343 G N -0.745 108.127 108.800 0.121 0.000 2.598 343 G HA2 -0.208 3.729 3.960 -0.037 0.000 0.215 343 G HA3 -0.208 3.729 3.960 -0.037 0.000 0.215 343 G C 0.028 175.024 174.900 0.160 0.000 1.131 343 G CA -0.044 45.124 45.100 0.114 0.000 0.785 343 G HN 0.343 nan 8.290 nan 0.000 0.539 344 Y N 2.561 122.920 120.300 0.097 0.000 2.544 344 Y HA 0.302 4.830 4.550 -0.036 0.000 0.330 344 Y C 0.012 175.961 175.900 0.082 0.000 1.136 344 Y CA -0.947 57.224 58.100 0.117 0.000 1.417 344 Y CB 0.633 39.256 38.460 0.272 0.000 1.229 344 Y HN -0.154 nan 8.280 nan 0.000 0.532 345 K N 8.508 128.651 120.400 -0.428 0.000 2.253 345 K HA 0.313 4.611 4.320 -0.037 0.000 0.277 345 K C -2.668 173.375 176.600 -0.928 0.000 1.053 345 K CA -2.100 53.894 56.287 -0.488 0.000 0.892 345 K CB 0.687 33.048 32.500 -0.232 0.000 1.102 345 K HN 0.519 nan 8.250 nan 0.000 0.469 346 P HA -0.022 nan 4.420 nan 0.000 0.261 346 P C -0.360 176.798 177.300 -0.238 0.000 1.183 346 P CA -0.078 62.706 63.100 -0.527 0.000 0.761 346 P CB 0.412 32.017 31.700 -0.158 0.000 0.785 347 V N 3.436 123.333 119.914 -0.028 0.000 2.509 347 V HA 0.423 4.521 4.120 -0.037 0.000 0.284 347 V C 0.808 176.942 176.094 0.067 0.000 1.047 347 V CA -0.847 61.483 62.300 0.050 0.000 0.952 347 V CB 0.945 32.847 31.823 0.133 0.000 0.988 347 V HN 0.670 nan 8.190 nan 0.000 0.469 348 A N 4.583 127.423 122.820 0.034 0.000 2.520 348 A HA 0.457 4.755 4.320 -0.037 0.000 0.235 348 A C 0.167 177.778 177.584 0.046 0.000 1.065 348 A CA 0.019 52.075 52.037 0.031 0.000 0.764 348 A CB 0.176 19.186 19.000 0.018 0.000 1.002 348 A HN 1.362 nan 8.150 nan 0.000 0.502 349 V N 0.220 120.149 119.914 0.025 0.000 2.716 349 V HA 0.629 4.727 4.120 -0.037 0.000 0.304 349 V C -2.503 173.599 176.094 0.013 0.000 1.053 349 V CA -2.323 59.980 62.300 0.004 0.000 0.984 349 V CB 0.561 32.330 31.823 -0.090 0.000 1.021 349 V HN 0.743 nan 8.190 nan 0.000 0.467 350 P HA 0.325 nan 4.420 nan 0.000 0.265 350 P C 0.003 177.308 177.300 0.009 0.000 1.193 350 P CA 0.351 63.471 63.100 0.035 0.000 0.765 350 P CB 0.326 32.067 31.700 0.068 0.000 0.823 351 A N 3.498 126.327 122.820 0.016 0.000 2.406 351 A HA 0.182 4.480 4.320 -0.037 0.000 0.243 351 A C 0.634 178.230 177.584 0.021 0.000 1.082 351 A CA -0.348 51.699 52.037 0.016 0.000 0.786 351 A CB 0.033 19.043 19.000 0.016 0.000 1.029 351 A HN 0.608 nan 8.150 nan 0.000 0.495 352 R N 0.409 120.928 120.500 0.030 0.000 2.679 352 R HA 0.141 4.459 4.340 -0.037 0.000 0.268 352 R C -0.254 176.059 176.300 0.022 0.000 1.044 352 R CA 0.329 56.452 56.100 0.037 0.000 1.105 352 R CB 0.092 30.419 30.300 0.044 0.000 0.989 352 R HN 0.764 nan 8.270 nan 0.000 0.447 353 T N 6.192 120.757 114.554 0.019 0.000 2.905 353 T HA 0.068 4.396 4.350 -0.037 0.000 0.299 353 T C -2.109 172.592 174.700 0.002 0.000 1.024 353 T CA -0.839 61.266 62.100 0.008 0.000 1.151 353 T CB 0.289 69.158 68.868 0.001 0.000 0.987 353 T HN 0.499 nan 8.240 nan 0.000 0.535 354 P HA 0.320 nan 4.420 nan 0.000 0.269 354 P C -0.297 176.994 177.300 -0.015 0.000 1.209 354 P CA -0.495 62.605 63.100 -0.000 0.000 0.776 354 P CB 0.273 31.977 31.700 0.006 0.000 0.876 355 A N 2.912 125.722 122.820 -0.016 0.000 2.520 355 A HA 0.023 4.321 4.320 -0.037 0.000 0.235 355 A C 0.558 178.121 177.584 -0.035 0.000 1.065 355 A CA -0.061 51.954 52.037 -0.036 0.000 0.764 355 A CB -0.497 18.493 19.000 -0.017 0.000 1.002 355 A HN 0.552 nan 8.150 nan 0.000 0.502 356 N N 0.523 119.173 118.700 -0.084 0.000 2.407 356 N HA 0.248 4.966 4.740 -0.037 0.000 0.250 356 N C 0.432 175.980 175.510 0.062 0.000 1.236 356 N CA 0.948 53.979 53.050 -0.031 0.000 0.879 356 N CB 0.540 38.935 38.487 -0.154 0.000 1.088 356 N HN 0.820 nan 8.380 nan 0.000 0.450 357 A N 1.375 124.255 122.820 0.099 0.000 2.445 357 A HA 0.430 4.728 4.320 -0.037 0.000 0.242 357 A C 0.490 178.157 177.584 0.140 0.000 1.075 357 A CA -0.416 51.679 52.037 0.098 0.000 0.777 357 A CB -0.005 19.043 19.000 0.080 0.000 1.013 357 A HN 0.741 nan 8.150 nan 0.000 0.493 358 A N 1.379 124.262 122.820 0.106 0.000 2.546 358 A HA 0.471 4.769 4.320 -0.037 0.000 0.243 358 A C 0.409 178.044 177.584 0.085 0.000 1.063 358 A CA 0.556 52.657 52.037 0.107 0.000 0.757 358 A CB -0.699 18.346 19.000 0.075 0.000 0.991 358 A HN 2.156 nan 8.150 nan 0.000 0.503 359 V N 0.334 120.295 119.914 0.077 0.000 3.040 359 V HA 0.766 4.864 4.120 -0.037 0.000 0.312 359 V C -2.830 173.255 176.094 -0.016 0.000 1.115 359 V CA -2.441 59.866 62.300 0.012 0.000 0.998 359 V CB 1.010 32.809 31.823 -0.041 0.000 1.042 359 V HN 0.711 nan 8.190 nan 0.000 0.433 360 P HA 0.302 nan 4.420 nan 0.000 0.267 360 P C 0.898 178.162 177.300 -0.060 0.000 1.200 360 P CA 0.482 63.559 63.100 -0.037 0.000 0.772 360 P CB 0.802 32.478 31.700 -0.040 0.000 0.855 361 A N 2.185 124.982 122.820 -0.039 0.000 1.978 361 A HA -0.184 4.113 4.320 -0.037 0.000 0.220 361 A C 1.989 179.530 177.584 -0.071 0.000 1.170 361 A CA 2.069 54.080 52.037 -0.043 0.000 0.636 361 A CB -1.374 17.617 19.000 -0.016 0.000 0.810 361 A HN 0.621 nan 8.150 nan 0.000 0.448 362 S N -0.904 114.756 115.700 -0.067 0.000 2.607 362 S HA 0.028 4.476 4.470 -0.037 0.000 0.224 362 S C 0.649 175.186 174.600 -0.104 0.000 0.969 362 S CA 0.582 58.740 58.200 -0.070 0.000 0.927 362 S CB -0.942 62.228 63.200 -0.050 0.000 0.772 362 S HN 0.360 nan 8.310 nan 0.000 0.533 363 T N 5.334 119.798 114.554 -0.150 0.000 2.831 363 T HA 0.197 4.525 4.350 -0.037 0.000 0.291 363 T C -2.548 172.010 174.700 -0.238 0.000 0.981 363 T CA -0.585 61.392 62.100 -0.204 0.000 1.174 363 T CB 0.313 69.005 68.868 -0.293 0.000 0.929 363 T HN 0.260 nan 8.240 nan 0.000 0.532 364 P HA 0.090 nan 4.420 nan 0.000 0.266 364 P C 0.094 177.261 177.300 -0.223 0.000 1.195 364 P CA -0.298 62.712 63.100 -0.151 0.000 0.768 364 P CB 0.392 32.036 31.700 -0.093 0.000 0.838 365 L N 3.714 124.822 121.223 -0.192 0.000 2.490 365 L HA 0.078 4.395 4.340 -0.037 0.000 0.274 365 L C 1.015 177.808 176.870 -0.129 0.000 1.201 365 L CA 0.637 55.350 54.840 -0.212 0.000 0.869 365 L CB 0.001 41.999 42.059 -0.102 0.000 1.123 365 L HN 0.263 nan 8.230 nan 0.000 0.484 366 K N 3.240 123.575 120.400 -0.109 0.000 2.426 366 K HA 0.251 4.549 4.320 -0.037 0.000 0.251 366 K C 0.241 176.832 176.600 -0.016 0.000 0.941 366 K CA -0.774 55.494 56.287 -0.031 0.000 0.808 366 K CB 2.057 34.554 32.500 -0.004 0.000 1.265 366 K HN 0.503 nan 8.250 nan 0.000 0.432 367 Q N 0.770 120.571 119.800 0.000 0.000 2.096 367 Q HA -0.238 4.080 4.340 -0.037 0.000 0.204 367 Q C 1.390 177.429 176.000 0.065 0.000 0.982 367 Q CA 1.862 57.655 55.803 -0.017 0.000 0.850 367 Q CB 0.130 28.991 28.738 0.206 0.000 0.901 367 Q HN 0.545 nan 8.270 nan 0.000 0.422 368 E N 0.348 120.630 120.200 0.137 0.000 2.058 368 E HA -0.211 4.117 4.350 -0.037 0.000 0.194 368 E C 1.474 178.127 176.600 0.089 0.000 0.997 368 E CA 1.468 57.957 56.400 0.148 0.000 0.801 368 E CB -0.390 29.379 29.700 0.114 0.000 0.746 368 E HN 0.443 nan 8.360 nan 0.000 0.450 369 W N 0.485 121.714 121.300 -0.118 0.000 2.354 369 W HA -0.193 4.445 4.660 -0.037 0.000 0.315 369 W C 2.364 178.691 176.519 -0.319 0.000 1.206 369 W CA 2.368 59.606 57.345 -0.177 0.000 1.290 369 W CB -0.452 28.898 29.460 -0.182 0.000 1.152 369 W HN 0.143 nan 8.180 nan 0.000 0.489 370 M N -0.491 118.993 119.600 -0.193 0.000 2.073 370 M HA -0.255 4.203 4.480 -0.037 0.000 0.258 370 M C 1.920 177.742 176.300 -0.796 0.000 1.070 370 M CA 2.733 57.578 55.300 -0.758 0.000 1.103 370 M CB -0.786 31.250 32.600 -0.940 0.000 1.321 370 M HN 0.200 nan 8.290 nan 0.000 0.405 371 W N 0.020 121.119 121.300 -0.335 0.000 2.402 371 W HA -0.151 4.488 4.660 -0.036 0.000 0.286 371 W C 2.063 178.420 176.519 -0.271 0.000 1.221 371 W CA 0.772 57.942 57.345 -0.291 0.000 1.257 371 W CB -0.670 28.667 29.460 -0.205 0.000 1.120 371 W HN 0.363 nan 8.180 nan 0.000 0.551 372 N N 0.288 118.906 118.700 -0.136 0.000 2.396 372 N HA -0.156 4.562 4.740 -0.037 0.000 0.180 372 N C 1.612 176.924 175.510 -0.331 0.000 1.028 372 N CA 1.116 54.047 53.050 -0.198 0.000 0.893 372 N CB -0.110 38.252 38.487 -0.207 0.000 0.967 372 N HN 0.075 nan 8.380 nan 0.000 0.440 373 Q N -0.511 118.939 119.800 -0.583 0.000 2.302 373 Q HA 0.170 4.488 4.340 -0.037 0.000 0.202 373 Q C 1.616 177.519 176.000 -0.161 0.000 0.936 373 Q CA 0.271 55.720 55.803 -0.590 0.000 0.886 373 Q CB -0.189 27.754 28.738 -1.325 0.000 0.986 373 Q HN 0.317 nan 8.270 nan 0.000 0.487 374 L N -0.118 121.039 121.223 -0.110 0.000 2.127 374 L HA -0.023 4.295 4.340 -0.037 0.000 0.211 374 L C 1.862 178.863 176.870 0.219 0.000 1.089 374 L CA 2.316 57.260 54.840 0.173 0.000 0.757 374 L CB -1.044 41.064 42.059 0.081 0.000 0.899 374 L HN 0.305 nan 8.230 nan 0.000 0.434 375 G N -0.671 108.199 108.800 0.117 0.000 2.475 375 G HA2 -0.347 3.591 3.960 -0.037 0.000 0.220 375 G HA3 -0.347 3.591 3.960 -0.037 0.000 0.220 375 G C 1.408 176.375 174.900 0.112 0.000 1.125 375 G CA 0.940 46.111 45.100 0.117 0.000 0.755 375 G HN 0.495 nan 8.290 nan 0.000 0.565 376 N N -0.065 118.708 118.700 0.122 0.000 2.223 376 N HA -0.087 4.631 4.740 -0.037 0.000 0.185 376 N C 1.634 177.255 175.510 0.186 0.000 1.016 376 N CA 0.840 53.969 53.050 0.132 0.000 0.863 376 N CB -0.392 38.178 38.487 0.138 0.000 0.983 376 N HN 0.437 nan 8.380 nan 0.000 0.429 377 F N 1.506 121.512 119.950 0.094 0.000 2.270 377 F HA 0.225 4.730 4.527 -0.037 0.000 0.295 377 F C 0.577 176.395 175.800 0.031 0.000 1.087 377 F CA -0.077 57.971 58.000 0.080 0.000 1.365 377 F CB -0.189 38.883 39.000 0.120 0.000 1.056 377 F HN -0.187 nan 8.300 nan 0.000 0.506 378 L N 2.376 123.505 121.223 -0.156 0.000 2.483 378 L HA 0.124 4.442 4.340 -0.037 0.000 0.275 378 L C -0.016 176.707 176.870 -0.245 0.000 1.220 378 L CA 0.063 54.731 54.840 -0.286 0.000 0.833 378 L CB 0.252 42.262 42.059 -0.081 0.000 1.102 378 L HN 0.290 nan 8.230 nan 0.000 0.490 379 Q N 0.721 120.360 119.800 -0.268 0.000 2.456 379 Q HA 0.432 4.750 4.340 -0.037 0.000 0.283 379 Q C -1.223 174.692 176.000 -0.142 0.000 1.084 379 Q CA -1.039 54.657 55.803 -0.179 0.000 0.801 379 Q CB 1.840 30.464 28.738 -0.189 0.000 1.434 379 Q HN 0.464 nan 8.270 nan 0.000 0.419 380 E N 0.004 120.147 120.200 -0.095 0.000 2.502 380 E HA 0.165 4.493 4.350 -0.037 0.000 0.261 380 E C 0.479 177.033 176.600 -0.077 0.000 0.974 380 E CA 1.472 57.827 56.400 -0.075 0.000 0.936 380 E CB 0.201 29.872 29.700 -0.050 0.000 0.926 380 E HN 0.948 nan 8.360 nan 0.000 0.459 381 G N 3.117 111.875 108.800 -0.070 0.000 2.195 381 G HA2 -0.216 3.722 3.960 -0.037 0.000 0.246 381 G HA3 -0.216 3.722 3.960 -0.037 0.000 0.246 381 G C -0.066 174.795 174.900 -0.066 0.000 0.984 381 G CA -0.050 45.019 45.100 -0.053 0.000 0.633 381 G HN 0.567 nan 8.290 nan 0.000 0.525 382 D N 0.230 120.564 120.400 -0.110 0.000 2.423 382 D HA 0.431 5.049 4.640 -0.037 0.000 0.238 382 D C 0.588 176.833 176.300 -0.092 0.000 1.142 382 D CA 0.221 54.148 54.000 -0.121 0.000 0.884 382 D CB 1.609 42.292 40.800 -0.195 0.000 1.199 382 D HN 0.188 nan 8.370 nan 0.000 0.438 383 V N 2.411 122.302 119.914 -0.039 0.000 2.370 383 V HA 0.293 4.391 4.120 -0.037 0.000 0.283 383 V C 0.085 176.190 176.094 0.019 0.000 1.023 383 V CA -0.695 61.611 62.300 0.011 0.000 0.857 383 V CB 1.703 33.540 31.823 0.023 0.000 0.985 383 V HN 0.212 nan 8.190 nan 0.000 0.443 384 V N 6.864 126.774 119.914 -0.007 0.000 2.378 384 V HA 0.532 4.630 4.120 -0.037 0.000 0.288 384 V C -0.247 175.951 176.094 0.173 0.000 1.016 384 V CA -0.344 61.991 62.300 0.058 0.000 0.840 384 V CB 1.592 33.333 31.823 -0.136 0.000 0.994 384 V HN 0.681 nan 8.190 nan 0.000 0.431 385 I N 3.909 124.626 120.570 0.245 0.000 2.433 385 I HA 0.828 4.976 4.170 -0.037 0.000 0.292 385 I C 0.113 176.413 176.117 0.305 0.000 1.001 385 I CA -0.655 60.788 61.300 0.238 0.000 1.119 385 I CB 2.038 40.135 38.000 0.162 0.000 1.289 385 I HN 0.655 nan 8.210 nan 0.000 0.438 386 A N 4.589 127.566 122.820 0.262 0.000 2.343 386 A HA 0.626 4.923 4.320 -0.037 0.000 0.308 386 A C -0.711 177.000 177.584 0.210 0.000 1.092 386 A CA -0.542 51.649 52.037 0.257 0.000 0.751 386 A CB 1.482 20.562 19.000 0.133 0.000 1.203 386 A HN 0.669 nan 8.150 nan 0.000 0.452 387 E N 1.449 121.782 120.200 0.223 0.000 2.343 387 E HA 0.411 4.739 4.350 -0.037 0.000 0.269 387 E C 0.134 176.811 176.600 0.129 0.000 1.047 387 E CA 0.168 56.675 56.400 0.179 0.000 0.874 387 E CB 0.566 30.365 29.700 0.165 0.000 1.033 387 E HN 0.582 nan 8.360 nan 0.000 0.409 388 T N 3.010 117.626 114.554 0.103 0.000 2.867 388 T HA 0.398 4.726 4.350 -0.037 0.000 0.290 388 T C 0.349 175.082 174.700 0.056 0.000 1.025 388 T CA 1.111 63.247 62.100 0.060 0.000 1.146 388 T CB -0.298 68.593 68.868 0.037 0.000 1.024 388 T HN 0.779 nan 8.240 nan 0.000 0.519 389 G N 2.640 111.474 108.800 0.056 0.000 2.318 389 G HA2 -0.037 3.901 3.960 -0.037 0.000 0.367 389 G HA3 -0.037 3.901 3.960 -0.037 0.000 0.367 389 G C 0.906 175.854 174.900 0.081 0.000 1.260 389 G CA 0.383 45.508 45.100 0.043 0.000 1.055 389 G HN 0.899 nan 8.290 nan 0.000 0.484 390 T N -1.663 112.929 114.554 0.065 0.000 2.803 390 T HA -0.075 4.253 4.350 -0.037 0.000 0.269 390 T C 2.399 177.172 174.700 0.122 0.000 1.052 390 T CA 2.805 64.954 62.100 0.081 0.000 1.136 390 T CB -0.485 68.466 68.868 0.137 0.000 0.864 390 T HN 0.866 nan 8.240 nan 0.000 0.467 391 S N 1.930 117.742 115.700 0.186 0.000 2.359 391 S HA 0.050 4.498 4.470 -0.037 0.000 0.224 391 S C 2.660 177.127 174.600 -0.221 0.000 1.035 391 S CA 1.086 59.358 58.200 0.120 0.000 1.018 391 S CB -0.932 62.493 63.200 0.375 0.000 0.876 391 S HN 0.799 nan 8.310 nan 0.000 0.448 392 A N 0.542 123.330 122.820 -0.054 0.000 1.940 392 A HA -0.061 4.237 4.320 -0.037 0.000 0.219 392 A C 1.871 179.286 177.584 -0.281 0.000 1.176 392 A CA 1.359 53.317 52.037 -0.133 0.000 0.631 392 A CB -0.847 18.111 19.000 -0.070 0.000 0.814 392 A HN 0.499 nan 8.150 nan 0.000 0.446 393 F N -0.043 119.703 119.950 -0.340 0.000 2.128 393 F HA 0.014 4.519 4.527 -0.037 0.000 0.295 393 F C 2.677 178.154 175.800 -0.538 0.000 1.100 393 F CA 1.126 58.911 58.000 -0.359 0.000 1.260 393 F CB -0.584 38.249 39.000 -0.278 0.000 1.009 393 F HN 0.308 nan 8.300 nan 0.000 0.476 394 G N -0.225 108.144 108.800 -0.718 0.000 2.408 394 G HA2 -0.258 3.680 3.960 -0.037 0.000 0.217 394 G HA3 -0.258 3.680 3.960 -0.037 0.000 0.217 394 G C 1.560 175.557 174.900 -1.505 0.000 1.150 394 G CA 0.719 44.827 45.100 -1.652 0.000 0.776 394 G HN 0.296 nan 8.290 nan 0.000 0.542 395 I N 1.481 121.288 120.570 -1.272 0.000 2.567 395 I HA -0.086 4.062 4.170 -0.037 0.000 0.257 395 I C 1.899 177.774 176.117 -0.402 0.000 1.184 395 I CA 0.659 61.565 61.300 -0.658 0.000 1.451 395 I CB -0.191 37.603 38.000 -0.343 0.000 1.089 395 I HN 0.021 nan 8.210 nan 0.000 0.441 396 N N 0.494 118.956 118.700 -0.396 0.000 2.364 396 N HA -0.179 4.538 4.740 -0.037 0.000 0.183 396 N C 1.373 176.747 175.510 -0.227 0.000 1.022 396 N CA 1.003 53.879 53.050 -0.290 0.000 0.883 396 N CB -0.204 38.129 38.487 -0.257 0.000 0.965 396 N HN 0.617 nan 8.380 nan 0.000 0.438 397 Q N -0.439 119.232 119.800 -0.215 0.000 2.360 397 Q HA 0.119 4.437 4.340 -0.037 0.000 0.202 397 Q C -0.173 175.790 176.000 -0.062 0.000 0.915 397 Q CA 0.266 56.008 55.803 -0.103 0.000 0.943 397 Q CB 0.490 29.200 28.738 -0.047 0.000 1.064 397 Q HN 0.085 nan 8.270 nan 0.000 0.511 398 T N 1.448 115.942 114.554 -0.100 0.000 2.806 398 T HA 0.201 4.529 4.350 -0.037 0.000 0.290 398 T C -0.017 174.602 174.700 -0.136 0.000 0.966 398 T CA -0.170 61.911 62.100 -0.031 0.000 1.060 398 T CB 1.464 70.392 68.868 0.100 0.000 0.927 398 T HN -0.075 nan 8.240 nan 0.000 0.485 399 T N 4.728 119.262 114.554 -0.033 0.000 2.780 399 T HA 0.395 4.723 4.350 -0.037 0.000 0.294 399 T C -0.243 174.531 174.700 0.123 0.000 0.949 399 T CA -0.297 61.782 62.100 -0.036 0.000 1.074 399 T CB -0.060 68.814 68.868 0.010 0.000 0.910 399 T HN 0.235 nan 8.240 nan 0.000 0.501 400 F N 4.135 124.036 119.950 -0.083 0.000 2.379 400 F HA 0.442 4.947 4.527 -0.037 0.000 0.332 400 F C -1.810 173.927 175.800 -0.104 0.000 1.096 400 F CA -3.220 54.727 58.000 -0.089 0.000 1.105 400 F CB 0.289 39.221 39.000 -0.113 0.000 1.189 400 F HN 0.322 nan 8.300 nan 0.000 0.515 401 P HA 0.069 nan 4.420 nan 0.000 0.273 401 P C -0.431 176.867 177.300 -0.004 0.000 1.250 401 P CA -0.420 62.687 63.100 0.012 0.000 0.793 401 P CB 0.467 32.147 31.700 -0.033 0.000 1.011 402 N N 1.509 120.194 118.700 -0.024 0.000 2.374 402 N HA -0.065 4.653 4.740 -0.037 0.000 0.241 402 N C 0.576 176.067 175.510 -0.031 0.000 1.262 402 N CA 0.627 53.660 53.050 -0.028 0.000 0.880 402 N CB -0.888 37.586 38.487 -0.021 0.000 1.105 402 N HN 0.519 nan 8.380 nan 0.000 0.438 403 N N -0.557 118.128 118.700 -0.026 0.000 2.727 403 N HA -0.190 4.528 4.740 -0.037 0.000 0.251 403 N C -1.464 174.022 175.510 -0.039 0.000 1.040 403 N CA 0.708 53.746 53.050 -0.021 0.000 0.712 403 N CB -1.127 37.350 38.487 -0.016 0.000 0.912 403 N HN 0.481 nan 8.380 nan 0.000 0.545 404 T N 1.749 116.264 114.554 -0.065 0.000 2.797 404 T HA 0.253 4.581 4.350 -0.037 0.000 0.279 404 T C -0.585 174.048 174.700 -0.111 0.000 0.991 404 T CA -0.344 61.657 62.100 -0.165 0.000 0.979 404 T CB 0.849 69.472 68.868 -0.409 0.000 0.943 404 T HN 0.225 nan 8.240 nan 0.000 0.444 405 Y N 2.368 122.576 120.300 -0.154 0.000 2.404 405 Y HA 0.518 5.045 4.550 -0.037 0.000 0.344 405 Y C 0.708 176.563 175.900 -0.076 0.000 0.970 405 Y CA -0.455 57.602 58.100 -0.071 0.000 1.180 405 Y CB 0.526 38.960 38.460 -0.043 0.000 1.138 405 Y HN 0.797 nan 8.280 nan 0.000 0.510 406 G N 6.575 115.328 108.800 -0.079 0.000 2.377 406 G HA2 0.535 4.473 3.960 -0.037 0.000 0.299 406 G HA3 0.535 4.473 3.960 -0.037 0.000 0.299 406 G C -1.085 173.933 174.900 0.197 0.000 1.150 406 G CA -0.621 44.554 45.100 0.125 0.000 0.847 406 G HN 0.690 nan 8.290 nan 0.000 0.501 407 I N 1.181 121.908 120.570 0.262 0.000 2.447 407 I HA 0.414 4.562 4.170 -0.037 0.000 0.287 407 I C -0.264 176.002 176.117 0.248 0.000 1.023 407 I CA -0.547 60.928 61.300 0.292 0.000 1.083 407 I CB 2.238 40.434 38.000 0.326 0.000 1.245 407 I HN 0.452 nan 8.210 nan 0.000 0.434 408 S N 5.427 121.249 115.700 0.203 0.000 2.750 408 S HA 0.175 4.622 4.470 -0.037 0.000 0.276 408 S C -0.592 174.069 174.600 0.102 0.000 1.165 408 S CA -0.535 57.752 58.200 0.145 0.000 1.047 408 S CB 1.340 64.575 63.200 0.059 0.000 1.056 408 S HN 0.687 nan 8.310 nan 0.000 0.481 409 Q N 4.891 124.739 119.800 0.079 0.000 3.184 409 Q HA 0.206 4.524 4.340 -0.037 0.000 0.288 409 Q C 0.725 176.728 176.000 0.006 0.000 1.412 409 Q CA -0.183 55.585 55.803 -0.058 0.000 0.991 409 Q CB -0.167 28.346 28.738 -0.376 0.000 1.688 409 Q HN 0.739 nan 8.270 nan 0.000 0.554 410 V N 2.119 122.050 119.914 0.028 0.000 2.515 410 V HA -0.251 3.847 4.120 -0.037 0.000 0.250 410 V C 1.805 177.950 176.094 0.085 0.000 1.058 410 V CA 1.339 63.665 62.300 0.044 0.000 1.064 410 V CB -0.384 31.441 31.823 0.003 0.000 0.675 410 V HN 0.593 nan 8.190 nan 0.000 0.461 411 L N -0.657 120.616 121.223 0.083 0.000 2.034 411 L HA -0.035 4.283 4.340 -0.037 0.000 0.203 411 L C 2.158 179.125 176.870 0.162 0.000 1.074 411 L CA 1.976 56.880 54.840 0.108 0.000 0.748 411 L CB -0.797 41.345 42.059 0.137 0.000 0.905 411 L HN 0.442 nan 8.230 nan 0.000 0.439 412 W N 0.902 122.179 121.300 -0.038 0.000 2.381 412 W HA -0.014 4.623 4.660 -0.039 0.000 0.301 412 W C 1.232 177.734 176.519 -0.028 0.000 1.205 412 W CA 1.343 58.663 57.345 -0.040 0.000 1.285 412 W CB -0.110 29.304 29.460 -0.078 0.000 1.133 412 W HN 0.466 nan 8.180 nan 0.000 0.521 413 G N 1.577 110.357 108.800 -0.033 0.000 2.295 413 G HA2 -0.289 3.649 3.960 -0.037 0.000 0.287 413 G HA3 -0.289 3.649 3.960 -0.037 0.000 0.287 413 G C -0.111 174.690 174.900 -0.165 0.000 1.055 413 G CA 0.538 45.595 45.100 -0.071 0.000 0.922 413 G HN 0.305 nan 8.290 nan 0.000 0.503 414 S N 0.077 115.690 115.700 -0.146 0.000 2.399 414 S HA 0.568 5.016 4.470 -0.037 0.000 0.301 414 S C 1.083 175.687 174.600 0.007 0.000 1.093 414 S CA -0.426 57.727 58.200 -0.078 0.000 1.077 414 S CB -0.213 63.066 63.200 0.131 0.000 0.980 414 S HN 1.185 nan 8.310 nan 0.000 0.494 415 I N 2.913 123.478 120.570 -0.009 0.000 2.710 415 I HA 0.550 4.698 4.170 -0.037 0.000 0.286 415 I C 1.294 177.442 176.117 0.052 0.000 1.181 415 I CA 0.663 61.970 61.300 0.011 0.000 1.430 415 I CB 0.053 38.027 38.000 -0.044 0.000 1.367 415 I HN 0.787 nan 8.210 nan 0.000 0.577 416 G N 4.559 113.386 108.800 0.044 0.000 2.284 416 G HA2 -0.354 3.584 3.960 -0.037 0.000 0.216 416 G HA3 -0.354 3.584 3.960 -0.037 0.000 0.216 416 G C 0.527 175.348 174.900 -0.131 0.000 1.009 416 G CA 0.428 45.566 45.100 0.063 0.000 0.625 416 G HN 0.876 nan 8.290 nan 0.000 0.501 417 F N 3.278 122.858 119.950 -0.617 0.000 2.085 417 F HA -0.198 4.308 4.527 -0.036 0.000 0.299 417 F C 2.822 178.354 175.800 -0.447 0.000 1.096 417 F CA 3.587 60.904 58.000 -1.138 0.000 1.227 417 F CB -0.705 37.915 39.000 -0.632 0.000 0.983 417 F HN 0.474 nan 8.300 nan 0.000 0.482 418 T N -3.271 111.075 114.554 -0.347 0.000 2.915 418 T HA -0.141 4.187 4.350 -0.037 0.000 0.269 418 T C 1.844 176.400 174.700 -0.241 0.000 1.071 418 T CA 1.609 63.494 62.100 -0.358 0.000 1.132 418 T CB -1.203 67.642 68.868 -0.038 0.000 0.878 418 T HN 0.361 nan 8.240 nan 0.000 0.479 419 T N 1.565 116.050 114.554 -0.115 0.000 2.708 419 T HA 0.042 4.370 4.350 -0.037 0.000 0.266 419 T C 2.297 176.961 174.700 -0.060 0.000 1.037 419 T CA 1.353 63.436 62.100 -0.028 0.000 1.146 419 T CB -1.086 67.817 68.868 0.059 0.000 0.865 419 T HN 0.603 nan 8.240 nan 0.000 0.435 420 G N 1.176 109.939 108.800 -0.062 0.000 2.404 420 G HA2 -0.014 3.924 3.960 -0.037 0.000 0.215 420 G HA3 -0.014 3.924 3.960 -0.037 0.000 0.215 420 G C 1.873 176.657 174.900 -0.192 0.000 1.174 420 G CA 0.823 45.901 45.100 -0.036 0.000 0.780 420 G HN 0.583 nan 8.290 nan 0.000 0.537 421 A N 0.232 122.779 122.820 -0.455 0.000 1.978 421 A HA -0.025 4.273 4.320 -0.037 0.000 0.220 421 A C 2.511 179.955 177.584 -0.234 0.000 1.170 421 A CA 2.452 54.191 52.037 -0.497 0.000 0.636 421 A CB -0.892 17.487 19.000 -1.034 0.000 0.810 421 A HN 0.307 nan 8.150 nan 0.000 0.448 422 T N 0.038 114.484 114.554 -0.180 0.000 2.708 422 T HA -0.135 4.193 4.350 -0.037 0.000 0.266 422 T C 1.842 176.498 174.700 -0.073 0.000 1.037 422 T CA 1.474 63.526 62.100 -0.079 0.000 1.146 422 T CB -0.397 68.449 68.868 -0.037 0.000 0.865 422 T HN 0.367 nan 8.240 nan 0.000 0.435 423 L N 1.394 122.569 121.223 -0.080 0.000 1.989 423 L HA 0.001 4.319 4.340 -0.037 0.000 0.211 423 L C 2.583 179.454 176.870 0.001 0.000 1.071 423 L CA 2.280 57.062 54.840 -0.097 0.000 0.749 423 L CB -1.164 40.884 42.059 -0.018 0.000 0.890 423 L HN 0.291 nan 8.230 nan 0.000 0.431 424 G N -1.332 107.510 108.800 0.069 0.000 2.418 424 G HA2 -0.243 3.695 3.960 -0.037 0.000 0.217 424 G HA3 -0.243 3.695 3.960 -0.037 0.000 0.217 424 G C 1.592 176.659 174.900 0.280 0.000 1.158 424 G CA 0.840 46.091 45.100 0.251 0.000 0.771 424 G HN 0.672 nan 8.290 nan 0.000 0.545 425 A N 1.142 123.999 122.820 0.062 0.000 1.902 425 A HA 0.276 4.574 4.320 -0.037 0.000 0.217 425 A C 2.808 180.398 177.584 0.010 0.000 1.181 425 A CA 2.241 54.274 52.037 -0.007 0.000 0.623 425 A CB -0.755 18.219 19.000 -0.043 0.000 0.818 425 A HN 0.774 nan 8.150 nan 0.000 0.443 426 A N -1.127 121.690 122.820 -0.005 0.000 1.898 426 A HA 0.040 4.338 4.320 -0.037 0.000 0.216 426 A C 1.914 179.503 177.584 0.008 0.000 1.181 426 A CA 1.481 53.491 52.037 -0.045 0.000 0.620 426 A CB -0.708 18.214 19.000 -0.131 0.000 0.819 426 A HN 0.420 nan 8.150 nan 0.000 0.442 427 F N 0.300 120.306 119.950 0.093 0.000 2.069 427 F HA -0.130 4.375 4.527 -0.037 0.000 0.298 427 F C 2.852 178.712 175.800 0.100 0.000 1.113 427 F CA 0.921 58.982 58.000 0.101 0.000 1.214 427 F CB -0.941 38.170 39.000 0.185 0.000 0.978 427 F HN 0.259 nan 8.300 nan 0.000 0.474 428 A N -0.110 122.865 122.820 0.259 0.000 1.877 428 A HA -0.089 4.209 4.320 -0.037 0.000 0.216 428 A C 2.425 179.962 177.584 -0.078 0.000 1.186 428 A CA 2.006 53.954 52.037 -0.148 0.000 0.620 428 A CB -1.395 17.302 19.000 -0.506 0.000 0.822 428 A HN 0.321 nan 8.150 nan 0.000 0.443 429 A N -0.493 122.301 122.820 -0.043 0.000 1.933 429 A HA -0.193 4.104 4.320 -0.037 0.000 0.218 429 A C 2.043 179.626 177.584 -0.002 0.000 1.175 429 A CA 1.822 53.837 52.037 -0.038 0.000 0.628 429 A CB -0.557 18.426 19.000 -0.029 0.000 0.814 429 A HN 0.690 nan 8.150 nan 0.000 0.444 430 E N -0.040 120.181 120.200 0.035 0.000 2.077 430 E HA -0.241 4.087 4.350 -0.037 0.000 0.193 430 E C 1.853 178.479 176.600 0.043 0.000 0.989 430 E CA 1.465 57.895 56.400 0.050 0.000 0.800 430 E CB -0.153 29.600 29.700 0.089 0.000 0.746 430 E HN 0.759 nan 8.360 nan 0.000 0.452 431 E N 0.092 120.320 120.200 0.048 0.000 2.153 431 E HA -0.164 4.164 4.350 -0.037 0.000 0.194 431 E C 2.137 178.738 176.600 0.000 0.000 0.988 431 E CA 1.056 57.473 56.400 0.028 0.000 0.811 431 E CB 0.004 29.727 29.700 0.038 0.000 0.746 431 E HN 0.403 nan 8.360 nan 0.000 0.466 432 I N 0.264 120.823 120.570 -0.019 0.000 2.277 432 I HA -0.092 4.056 4.170 -0.037 0.000 0.243 432 I C 0.543 176.652 176.117 -0.012 0.000 1.094 432 I CA 0.651 61.935 61.300 -0.026 0.000 1.393 432 I CB 0.408 38.379 38.000 -0.048 0.000 1.078 432 I HN -0.014 nan 8.210 nan 0.000 0.417 433 D N -0.905 119.491 120.400 -0.007 0.000 2.369 433 D HA 0.133 4.751 4.640 -0.037 0.000 0.212 433 D C -2.282 174.021 176.300 0.005 0.000 1.326 433 D CA -1.312 52.688 54.000 -0.001 0.000 0.933 433 D CB 1.325 42.120 40.800 -0.007 0.000 1.516 433 D HN -0.226 nan 8.370 nan 0.000 0.557 434 P HA -0.083 nan 4.420 nan 0.000 0.226 434 P C 0.718 178.027 177.300 0.015 0.000 1.146 434 P CA 0.955 64.067 63.100 0.020 0.000 0.773 434 P CB 0.274 31.990 31.700 0.026 0.000 0.772 435 K N -0.749 119.656 120.400 0.009 0.000 2.418 435 K HA 0.019 4.317 4.320 -0.037 0.000 0.195 435 K C 0.557 177.157 176.600 0.000 0.000 1.035 435 K CA 0.371 56.661 56.287 0.005 0.000 1.003 435 K CB -0.006 32.494 32.500 -0.000 0.000 0.793 435 K HN 0.244 nan 8.250 nan 0.000 0.494 436 K N 1.740 122.139 120.400 -0.002 0.000 2.350 436 K HA 0.115 4.413 4.320 -0.037 0.000 0.279 436 K C -0.108 176.498 176.600 0.009 0.000 1.027 436 K CA 0.096 56.377 56.287 -0.009 0.000 0.969 436 K CB 0.774 33.265 32.500 -0.015 0.000 0.954 436 K HN 0.017 nan 8.250 nan 0.000 0.474 437 R N 1.249 121.752 120.500 0.004 0.000 2.536 437 R HA 0.419 4.736 4.340 -0.037 0.000 0.279 437 R C -0.708 175.630 176.300 0.063 0.000 1.001 437 R CA -0.879 55.259 56.100 0.063 0.000 1.027 437 R CB 1.278 31.596 30.300 0.031 0.000 1.096 437 R HN 0.222 nan 8.270 nan 0.000 0.502 438 V N 4.140 124.137 119.914 0.137 0.000 2.487 438 V HA 0.438 4.536 4.120 -0.037 0.000 0.298 438 V C -0.311 175.924 176.094 0.235 0.000 1.028 438 V CA -0.607 61.768 62.300 0.124 0.000 0.860 438 V CB 1.640 33.505 31.823 0.071 0.000 0.991 438 V HN 0.595 nan 8.190 nan 0.000 0.427 439 I N 5.801 126.506 120.570 0.226 0.000 2.447 439 I HA 0.472 4.620 4.170 -0.037 0.000 0.287 439 I C -0.979 175.341 176.117 0.338 0.000 1.023 439 I CA -0.603 60.907 61.300 0.351 0.000 1.083 439 I CB 1.932 40.149 38.000 0.361 0.000 1.245 439 I HN 0.434 nan 8.210 nan 0.000 0.434 440 L N 7.223 128.634 121.223 0.312 0.000 2.322 440 L HA 0.620 4.938 4.340 -0.037 0.000 0.281 440 L C -1.653 175.332 176.870 0.192 0.000 1.014 440 L CA 0.023 55.019 54.840 0.261 0.000 0.815 440 L CB 1.148 43.300 42.059 0.155 0.000 1.247 440 L HN 0.269 nan 8.230 nan 0.000 0.421 441 F N 6.444 126.589 119.950 0.325 0.000 2.375 441 F HA 0.574 5.078 4.527 -0.037 0.000 0.361 441 F C -0.028 175.937 175.800 0.275 0.000 1.117 441 F CA -0.268 57.945 58.000 0.356 0.000 1.037 441 F CB 1.397 40.678 39.000 0.470 0.000 1.192 441 F HN 0.383 nan 8.300 nan 0.000 0.452 442 I N 2.092 122.841 120.570 0.297 0.000 2.647 442 I HA 0.726 4.874 4.170 -0.037 0.000 0.295 442 I C 0.100 176.323 176.117 0.177 0.000 1.078 442 I CA -0.549 60.877 61.300 0.210 0.000 1.048 442 I CB 1.680 39.758 38.000 0.130 0.000 1.239 442 I HN 0.589 nan 8.210 nan 0.000 0.421 443 G N 3.493 112.386 108.800 0.155 0.000 2.507 443 G HA2 0.123 4.061 3.960 -0.037 0.000 0.271 443 G HA3 0.123 4.061 3.960 -0.037 0.000 0.271 443 G C 0.565 175.495 174.900 0.050 0.000 1.189 443 G CA 0.064 45.237 45.100 0.120 0.000 0.859 443 G HN 0.799 nan 8.290 nan 0.000 0.542 444 D N 0.376 120.784 120.400 0.014 0.000 2.182 444 D HA -0.112 4.506 4.640 -0.037 0.000 0.201 444 D C 2.138 178.430 176.300 -0.014 0.000 0.986 444 D CA 1.447 55.424 54.000 -0.038 0.000 0.847 444 D CB -0.866 39.946 40.800 0.021 0.000 0.942 444 D HN 0.464 nan 8.370 nan 0.000 0.467 445 G N 0.245 109.097 108.800 0.086 0.000 2.414 445 G HA2 -0.236 3.702 3.960 -0.037 0.000 0.215 445 G HA3 -0.236 3.702 3.960 -0.037 0.000 0.215 445 G C 1.866 176.852 174.900 0.143 0.000 1.188 445 G CA 1.121 46.364 45.100 0.238 0.000 0.783 445 G HN 0.367 nan 8.290 nan 0.000 0.537 446 S N 0.383 116.138 115.700 0.092 0.000 2.382 446 S HA -0.100 4.348 4.470 -0.037 0.000 0.228 446 S C 2.162 176.808 174.600 0.076 0.000 1.027 446 S CA 1.049 59.287 58.200 0.065 0.000 0.991 446 S CB -0.293 62.945 63.200 0.063 0.000 0.823 446 S HN 0.251 nan 8.310 nan 0.000 0.469 447 L N 2.201 123.462 121.223 0.063 0.000 2.127 447 L HA -0.169 4.149 4.340 -0.037 0.000 0.211 447 L C 2.149 179.102 176.870 0.138 0.000 1.089 447 L CA 1.738 56.639 54.840 0.101 0.000 0.757 447 L CB -0.707 41.405 42.059 0.088 0.000 0.899 447 L HN 0.306 nan 8.230 nan 0.000 0.434 448 Q N -1.120 118.668 119.800 -0.020 0.000 2.170 448 Q HA -0.195 4.123 4.340 -0.037 0.000 0.203 448 Q C 2.077 178.221 176.000 0.241 0.000 0.976 448 Q CA 1.394 57.183 55.803 -0.025 0.000 0.858 448 Q CB -0.229 28.296 28.738 -0.356 0.000 0.907 448 Q HN 0.435 nan 8.270 nan 0.000 0.433 449 L N -0.158 121.174 121.223 0.182 0.000 2.291 449 L HA -0.073 4.245 4.340 -0.037 0.000 0.214 449 L C 1.831 178.839 176.870 0.231 0.000 1.120 449 L CA 1.642 56.604 54.840 0.203 0.000 0.799 449 L CB -0.074 42.093 42.059 0.180 0.000 0.925 449 L HN 0.292 nan 8.230 nan 0.000 0.446 450 T N -6.854 107.842 114.554 0.237 0.000 3.332 450 T HA 0.114 4.442 4.350 -0.037 0.000 0.304 450 T C 1.218 176.044 174.700 0.210 0.000 0.971 450 T CA 0.249 62.484 62.100 0.225 0.000 0.954 450 T CB -0.363 68.655 68.868 0.251 0.000 1.175 450 T HN -0.131 nan 8.240 nan 0.000 0.519 451 V N 2.606 122.692 119.914 0.288 0.000 2.469 451 V HA -0.230 3.868 4.120 -0.037 0.000 0.251 451 V C 2.742 178.986 176.094 0.250 0.000 1.064 451 V CA 2.611 65.124 62.300 0.355 0.000 1.066 451 V CB -0.372 31.805 31.823 0.591 0.000 0.667 451 V HN 0.753 nan 8.190 nan 0.000 0.461 452 Q N -0.633 119.221 119.800 0.090 0.000 2.364 452 Q HA -0.239 4.079 4.340 -0.037 0.000 0.207 452 Q C 1.741 177.574 176.000 -0.279 0.000 0.970 452 Q CA 1.768 57.403 55.803 -0.280 0.000 0.888 452 Q CB -0.501 28.110 28.738 -0.211 0.000 0.951 452 Q HN 0.616 nan 8.270 nan 0.000 0.469 453 E N 1.191 121.353 120.200 -0.062 0.000 2.409 453 E HA 0.029 4.357 4.350 -0.037 0.000 0.198 453 E C 1.733 178.308 176.600 -0.041 0.000 1.024 453 E CA 0.339 56.716 56.400 -0.038 0.000 0.861 453 E CB -0.338 29.380 29.700 0.029 0.000 0.788 453 E HN 0.501 nan 8.360 nan 0.000 0.521 454 I N -0.366 120.195 120.570 -0.016 0.000 2.335 454 I HA -0.295 3.853 4.170 -0.037 0.000 0.251 454 I C 2.342 178.450 176.117 -0.016 0.000 1.129 454 I CA 1.057 62.386 61.300 0.049 0.000 1.402 454 I CB -0.350 37.789 38.000 0.231 0.000 1.069 454 I HN 0.111 nan 8.210 nan 0.000 0.424 455 S N 0.433 115.990 115.700 -0.239 0.000 2.374 455 S HA -0.226 4.222 4.470 -0.037 0.000 0.227 455 S C 2.038 176.597 174.600 -0.069 0.000 1.037 455 S CA 2.441 60.499 58.200 -0.236 0.000 1.024 455 S CB -0.332 62.585 63.200 -0.472 0.000 0.861 455 S HN 0.479 nan 8.310 nan 0.000 0.456 456 T N 2.036 116.575 114.554 -0.025 0.000 2.904 456 T HA 0.091 4.419 4.350 -0.037 0.000 0.267 456 T C 1.812 176.599 174.700 0.146 0.000 1.059 456 T CA 1.287 63.454 62.100 0.112 0.000 1.137 456 T CB -0.245 68.713 68.868 0.151 0.000 0.879 456 T HN 0.423 nan 8.240 nan 0.000 0.467 457 M N 0.479 120.099 119.600 0.033 0.000 2.117 457 M HA 0.022 4.480 4.480 -0.037 0.000 0.262 457 M C 2.143 178.461 176.300 0.029 0.000 1.065 457 M CA 1.663 56.953 55.300 -0.017 0.000 1.114 457 M CB -0.623 31.953 32.600 -0.041 0.000 1.361 457 M HN 0.184 nan 8.290 nan 0.000 0.408 458 I N 0.296 120.880 120.570 0.024 0.000 2.252 458 I HA -0.291 3.857 4.170 -0.037 0.000 0.245 458 I C 2.700 178.816 176.117 -0.002 0.000 1.102 458 I CA 1.338 62.647 61.300 0.014 0.000 1.385 458 I CB -0.483 37.526 38.000 0.014 0.000 1.064 458 I HN 0.329 nan 8.210 nan 0.000 0.414 459 R N 0.420 120.905 120.500 -0.024 0.000 2.120 459 R HA -0.189 4.129 4.340 -0.037 0.000 0.234 459 R C 1.417 177.543 176.300 -0.290 0.000 1.123 459 R CA 1.617 57.620 56.100 -0.162 0.000 0.975 459 R CB -0.651 29.533 30.300 -0.194 0.000 0.866 459 R HN 0.377 nan 8.270 nan 0.000 0.446 460 W N 0.483 121.800 121.300 0.028 0.000 3.278 460 W HA 0.381 5.019 4.660 -0.037 0.000 0.308 460 W C 0.767 177.297 176.519 0.018 0.000 1.253 460 W CA 0.295 57.677 57.345 0.062 0.000 1.759 460 W CB 0.717 30.261 29.460 0.140 0.000 1.093 460 W HN 0.405 nan 8.180 nan 0.000 0.648 461 G N 1.485 110.364 108.800 0.130 0.000 2.225 461 G HA2 -0.326 3.612 3.960 -0.037 0.000 0.267 461 G HA3 -0.326 3.612 3.960 -0.037 0.000 0.267 461 G C 0.113 175.053 174.900 0.066 0.000 1.024 461 G CA -0.134 45.012 45.100 0.078 0.000 0.784 461 G HN 0.188 nan 8.290 nan 0.000 0.507 462 L N -1.166 120.084 121.223 0.044 0.000 2.452 462 L HA 0.406 4.724 4.340 -0.037 0.000 0.267 462 L C 1.171 178.014 176.870 -0.045 0.000 1.188 462 L CA 0.063 54.886 54.840 -0.028 0.000 0.821 462 L CB 0.755 42.728 42.059 -0.144 0.000 1.102 462 L HN 0.109 nan 8.230 nan 0.000 0.470 463 K N 1.886 122.251 120.400 -0.059 0.000 3.045 463 K HA 0.267 4.565 4.320 -0.037 0.000 0.211 463 K C -2.407 174.106 176.600 -0.145 0.000 1.141 463 K CA -1.274 54.951 56.287 -0.104 0.000 1.036 463 K CB 0.331 32.773 32.500 -0.098 0.000 0.851 463 K HN 0.338 nan 8.250 nan 0.000 0.462 464 P HA -0.023 nan 4.420 nan 0.000 0.274 464 P C -0.821 176.412 177.300 -0.112 0.000 1.246 464 P CA -0.131 62.959 63.100 -0.016 0.000 0.795 464 P CB 0.527 32.234 31.700 0.012 0.000 1.006 465 Y N 0.345 120.643 120.300 -0.003 0.000 2.367 465 Y HA 0.324 4.851 4.550 -0.037 0.000 0.342 465 Y C 0.533 176.395 175.900 -0.063 0.000 0.979 465 Y CA -0.266 57.797 58.100 -0.062 0.000 1.161 465 Y CB 0.510 39.026 38.460 0.094 0.000 1.155 465 Y HN 0.028 nan 8.280 nan 0.000 0.503 466 L N 5.590 126.769 121.223 -0.074 0.000 2.297 466 L HA 0.387 4.705 4.340 -0.037 0.000 0.277 466 L C -1.006 175.754 176.870 -0.184 0.000 1.040 466 L CA -0.349 54.458 54.840 -0.055 0.000 0.867 466 L CB 0.057 42.097 42.059 -0.032 0.000 1.244 466 L HN 0.498 nan 8.230 nan 0.000 0.433 467 F N 2.437 122.247 119.950 -0.232 0.000 2.421 467 F HA 0.308 4.813 4.527 -0.037 0.000 0.358 467 F C 0.371 176.060 175.800 -0.185 0.000 1.115 467 F CA -0.487 57.313 58.000 -0.333 0.000 1.160 467 F CB 1.312 39.740 39.000 -0.953 0.000 1.123 467 F HN 0.057 nan 8.300 nan 0.000 0.508 468 V N 5.720 125.656 119.914 0.036 0.000 2.370 468 V HA 0.254 4.352 4.120 -0.037 0.000 0.283 468 V C 0.072 176.192 176.094 0.044 0.000 1.023 468 V CA -0.822 61.468 62.300 -0.018 0.000 0.857 468 V CB 1.509 33.208 31.823 -0.207 0.000 0.985 468 V HN 0.506 nan 8.190 nan 0.000 0.443 469 L N 4.892 126.177 121.223 0.104 0.000 2.312 469 L HA 0.362 4.680 4.340 -0.037 0.000 0.287 469 L C 0.463 177.373 176.870 0.068 0.000 1.091 469 L CA -0.169 54.755 54.840 0.140 0.000 0.846 469 L CB 0.261 42.453 42.059 0.221 0.000 1.219 469 L HN 0.576 nan 8.230 nan 0.000 0.439 470 N N 3.695 122.432 118.700 0.062 0.000 2.482 470 N HA 0.032 4.750 4.740 -0.037 0.000 0.242 470 N C 0.149 175.696 175.510 0.060 0.000 1.100 470 N CA -0.244 52.850 53.050 0.074 0.000 0.946 470 N CB 0.454 39.020 38.487 0.132 0.000 1.227 470 N HN 0.534 nan 8.380 nan 0.000 0.508 471 N N 1.631 120.353 118.700 0.036 0.000 2.282 471 N HA 0.096 4.813 4.740 -0.037 0.000 0.240 471 N C -0.595 174.886 175.510 -0.048 0.000 1.182 471 N CA -0.447 52.601 53.050 -0.004 0.000 0.874 471 N CB 0.083 38.564 38.487 -0.010 0.000 1.126 471 N HN 0.264 nan 8.380 nan 0.000 0.516 472 D N -0.341 120.043 120.400 -0.026 0.000 2.737 472 D HA -0.059 4.559 4.640 -0.037 0.000 0.238 472 D C 0.498 176.722 176.300 -0.126 0.000 1.157 472 D CA 1.887 55.849 54.000 -0.063 0.000 0.694 472 D CB -1.246 39.519 40.800 -0.059 0.000 1.021 472 D HN 0.874 nan 8.370 nan 0.000 0.420 473 G N -0.181 108.542 108.800 -0.128 0.000 2.298 473 G HA2 -0.006 3.932 3.960 -0.037 0.000 0.309 473 G HA3 -0.006 3.932 3.960 -0.037 0.000 0.309 473 G C -1.169 173.699 174.900 -0.052 0.000 1.279 473 G CA -0.447 44.519 45.100 -0.223 0.000 1.042 473 G HN 0.167 nan 8.290 nan 0.000 0.480 474 Y N 1.710 121.971 120.300 -0.065 0.000 2.724 474 Y HA 0.488 5.016 4.550 -0.036 0.000 0.332 474 Y C 2.021 177.879 175.900 -0.071 0.000 1.276 474 Y CA -0.089 57.987 58.100 -0.040 0.000 1.597 474 Y CB 0.324 38.790 38.460 0.009 0.000 1.584 474 Y HN 0.707 nan 8.280 nan 0.000 0.478 475 T N 0.953 115.532 114.554 0.041 0.000 2.746 475 T HA -0.208 4.120 4.350 -0.037 0.000 0.267 475 T C 2.086 176.766 174.700 -0.034 0.000 1.039 475 T CA 1.613 63.671 62.100 -0.070 0.000 1.142 475 T CB -0.179 68.632 68.868 -0.095 0.000 0.866 475 T HN 0.684 nan 8.240 nan 0.000 0.444 476 I N 0.228 120.783 120.570 -0.026 0.000 2.264 476 I HA -0.211 3.937 4.170 -0.037 0.000 0.248 476 I C 2.539 178.639 176.117 -0.029 0.000 1.111 476 I CA 1.666 62.913 61.300 -0.088 0.000 1.382 476 I CB -0.177 37.739 38.000 -0.141 0.000 1.060 476 I HN 0.427 nan 8.210 nan 0.000 0.418 477 Q N 0.235 120.064 119.800 0.048 0.000 2.137 477 Q HA -0.187 4.131 4.340 -0.037 0.000 0.198 477 Q C 2.153 178.241 176.000 0.148 0.000 0.960 477 Q CA 1.166 57.040 55.803 0.118 0.000 0.847 477 Q CB -0.095 28.755 28.738 0.186 0.000 0.915 477 Q HN 0.502 nan 8.270 nan 0.000 0.448 478 K N 0.748 121.215 120.400 0.112 0.000 2.152 478 K HA -0.108 4.190 4.320 -0.037 0.000 0.206 478 K C 1.951 178.667 176.600 0.193 0.000 1.048 478 K CA 0.922 57.286 56.287 0.128 0.000 0.933 478 K CB -0.069 32.422 32.500 -0.015 0.000 0.721 478 K HN 0.183 nan 8.250 nan 0.000 0.447 479 L N 0.271 121.575 121.223 0.134 0.000 2.291 479 L HA -0.086 4.232 4.340 -0.037 0.000 0.214 479 L C 1.964 178.882 176.870 0.080 0.000 1.120 479 L CA 0.847 55.760 54.840 0.122 0.000 0.799 479 L CB -0.092 41.988 42.059 0.035 0.000 0.925 479 L HN 0.186 nan 8.230 nan 0.000 0.446 480 I N -2.715 117.911 120.570 0.094 0.000 3.300 480 I HA 0.042 4.190 4.170 -0.037 0.000 0.279 480 I C 0.359 176.589 176.117 0.188 0.000 1.172 480 I CA 0.005 61.371 61.300 0.109 0.000 1.431 480 I CB 0.602 38.660 38.000 0.097 0.000 1.240 480 I HN 0.117 nan 8.210 nan 0.000 0.453 481 H N -0.232 118.898 119.070 0.101 0.000 3.099 481 H HA 0.465 4.999 4.556 -0.036 0.000 0.342 481 H C -0.086 175.341 175.328 0.164 0.000 1.054 481 H CA -0.094 56.029 56.048 0.124 0.000 1.328 481 H CB 1.445 31.284 29.762 0.129 0.000 1.876 481 H HN 0.189 nan 8.280 nan 0.000 0.495 482 G N 5.675 114.342 108.800 -0.222 0.000 2.368 482 G HA2 -0.196 3.742 3.960 -0.037 0.000 0.290 482 G HA3 -0.196 3.742 3.960 -0.037 0.000 0.290 482 G C -1.742 173.139 174.900 -0.031 0.000 1.098 482 G CA -0.087 44.943 45.100 -0.116 0.000 1.073 482 G HN 0.584 nan 8.290 nan 0.000 0.511 483 P HA -0.076 nan 4.420 nan 0.000 0.219 483 P C 1.181 178.573 177.300 0.155 0.000 1.146 483 P CA 1.344 64.566 63.100 0.202 0.000 0.808 483 P CB 0.107 31.932 31.700 0.208 0.000 0.779 484 K N -1.233 119.176 120.400 0.016 0.000 2.374 484 K HA 0.333 4.631 4.320 -0.037 0.000 0.202 484 K C 0.722 177.245 176.600 -0.129 0.000 1.040 484 K CA -0.298 55.975 56.287 -0.022 0.000 1.085 484 K CB 0.607 33.097 32.500 -0.017 0.000 0.873 484 K HN -0.016 nan 8.250 nan 0.000 0.539 485 A N 1.500 124.170 122.820 -0.249 0.000 2.520 485 A HA -0.010 4.288 4.320 -0.037 0.000 0.245 485 A C 1.002 178.301 177.584 -0.474 0.000 1.072 485 A CA -0.107 51.633 52.037 -0.494 0.000 0.761 485 A CB 0.409 18.785 19.000 -1.040 0.000 1.004 485 A HN 0.106 nan 8.150 nan 0.000 0.499 486 Q N 1.292 120.899 119.800 -0.321 0.000 2.224 486 Q HA -0.175 4.143 4.340 -0.037 0.000 0.203 486 Q C 1.529 177.462 176.000 -0.112 0.000 0.970 486 Q CA 1.977 57.681 55.803 -0.165 0.000 0.865 486 Q CB -0.434 28.265 28.738 -0.065 0.000 0.922 486 Q HN 1.067 nan 8.270 nan 0.000 0.445 487 Y N -0.959 119.361 120.300 0.033 0.000 2.497 487 Y HA 0.041 4.569 4.550 -0.036 0.000 0.292 487 Y C 1.159 177.105 175.900 0.076 0.000 1.137 487 Y CA 0.564 58.703 58.100 0.064 0.000 1.285 487 Y CB -0.619 37.901 38.460 0.100 0.000 0.991 487 Y HN 0.001 nan 8.280 nan 0.000 0.556 488 N N 0.338 119.044 118.700 0.011 0.000 2.336 488 N HA -0.000 4.718 4.740 -0.037 0.000 0.189 488 N C -0.276 175.053 175.510 -0.302 0.000 1.113 488 N CA 0.318 53.390 53.050 0.036 0.000 0.858 488 N CB 0.112 38.628 38.487 0.049 0.000 0.970 488 N HN 0.488 nan 8.380 nan 0.000 0.471 489 E N 0.523 120.546 120.200 -0.296 0.000 2.222 489 E HA 0.446 4.774 4.350 -0.037 0.000 0.267 489 E C 0.348 176.725 176.600 -0.370 0.000 0.963 489 E CA -0.651 55.564 56.400 -0.308 0.000 0.837 489 E CB 2.309 31.903 29.700 -0.177 0.000 1.183 489 E HN 0.137 nan 8.360 nan 0.000 0.403 490 I N -2.088 118.288 120.570 -0.323 0.000 3.074 490 I HA 0.404 4.552 4.170 -0.037 0.000 0.310 490 I C -0.415 175.606 176.117 -0.160 0.000 1.153 490 I CA -1.431 59.700 61.300 -0.282 0.000 0.993 490 I CB 1.997 39.771 38.000 -0.377 0.000 1.237 490 I HN 0.139 nan 8.210 nan 0.000 0.443 491 Q N 2.299 122.042 119.800 -0.095 0.000 2.337 491 Q HA 0.416 4.734 4.340 -0.037 0.000 0.270 491 Q C -0.115 175.866 176.000 -0.031 0.000 1.002 491 Q CA 0.401 56.212 55.803 0.013 0.000 0.888 491 Q CB 1.174 30.022 28.738 0.183 0.000 1.222 491 Q HN 0.894 nan 8.270 nan 0.000 0.400 492 G N 4.050 112.874 108.800 0.040 0.000 2.351 492 G HA2 0.332 4.270 3.960 -0.037 0.000 0.287 492 G HA3 0.332 4.270 3.960 -0.037 0.000 0.287 492 G C -1.203 173.807 174.900 0.184 0.000 1.159 492 G CA -0.557 44.556 45.100 0.021 0.000 0.929 492 G HN 0.489 nan 8.290 nan 0.000 0.435 493 W N 0.748 121.897 121.300 -0.253 0.000 2.436 493 W HA 0.354 4.992 4.660 -0.037 0.000 0.347 493 W C -0.034 176.217 176.519 -0.446 0.000 1.136 493 W CA -1.477 55.670 57.345 -0.330 0.000 1.286 493 W CB 1.197 30.448 29.460 -0.348 0.000 1.253 493 W HN 0.395 nan 8.180 nan 0.000 0.617 494 D N 0.675 121.028 120.400 -0.078 0.000 2.517 494 D HA 0.062 4.680 4.640 -0.037 0.000 0.220 494 D C 1.102 177.365 176.300 -0.062 0.000 1.158 494 D CA 0.146 54.092 54.000 -0.092 0.000 0.992 494 D CB -0.204 40.550 40.800 -0.077 0.000 1.058 494 D HN 0.381 nan 8.370 nan 0.000 0.516 495 H N 1.781 120.917 119.070 0.110 0.000 2.352 495 H HA -0.087 4.446 4.556 -0.037 0.000 0.299 495 H C 1.786 177.125 175.328 0.018 0.000 1.097 495 H CA 1.163 57.272 56.048 0.102 0.000 1.311 495 H CB 0.359 30.187 29.762 0.110 0.000 1.377 495 H HN 0.360 nan 8.280 nan 0.000 0.504 496 L N -0.174 121.120 121.223 0.117 0.000 2.465 496 L HA -0.084 4.233 4.340 -0.037 0.000 0.224 496 L C 1.751 178.605 176.870 -0.026 0.000 1.145 496 L CA 0.500 55.367 54.840 0.044 0.000 0.834 496 L CB -0.075 42.009 42.059 0.042 0.000 0.944 496 L HN 0.189 nan 8.230 nan 0.000 0.451 497 S N -0.247 115.415 115.700 -0.063 0.000 2.562 497 S HA 0.092 4.540 4.470 -0.037 0.000 0.221 497 S C 1.895 176.343 174.600 -0.255 0.000 0.975 497 S CA 0.210 58.329 58.200 -0.136 0.000 0.918 497 S CB 0.062 63.182 63.200 -0.133 0.000 0.772 497 S HN 0.299 nan 8.310 nan 0.000 0.531 498 L N 0.784 121.855 121.223 -0.253 0.000 2.017 498 L HA -0.120 4.198 4.340 -0.037 0.000 0.208 498 L C 2.148 178.712 176.870 -0.510 0.000 1.073 498 L CA 1.219 55.783 54.840 -0.459 0.000 0.745 498 L CB -0.582 41.335 42.059 -0.237 0.000 0.894 498 L HN 0.314 nan 8.230 nan 0.000 0.432 499 L N -0.140 120.874 121.223 -0.349 0.000 1.970 499 L HA -0.175 4.143 4.340 -0.037 0.000 0.212 499 L C -0.147 176.423 176.870 -0.500 0.000 1.071 499 L CA 1.671 56.261 54.840 -0.416 0.000 0.751 499 L CB -1.898 39.794 42.059 -0.612 0.000 0.889 499 L HN 0.247 nan 8.230 nan 0.000 0.432 500 P HA -0.127 nan 4.420 nan 0.000 0.218 500 P C 1.506 178.678 177.300 -0.214 0.000 1.149 500 P CA 1.458 64.355 63.100 -0.338 0.000 0.817 500 P CB -0.158 31.438 31.700 -0.173 0.000 0.785 501 T N -0.404 113.971 114.554 -0.298 0.000 2.833 501 T HA -0.082 4.246 4.350 -0.037 0.000 0.269 501 T C 0.929 175.533 174.700 -0.160 0.000 1.054 501 T CA 1.114 63.035 62.100 -0.299 0.000 1.135 501 T CB -0.618 67.969 68.868 -0.468 0.000 0.869 501 T HN -0.000 nan 8.240 nan 0.000 0.466 502 F N 0.633 120.512 119.950 -0.117 0.000 2.692 502 F HA 0.419 4.924 4.527 -0.036 0.000 0.303 502 F C 1.850 177.597 175.800 -0.089 0.000 1.114 502 F CA -0.782 57.163 58.000 -0.091 0.000 1.361 502 F CB -0.749 38.203 39.000 -0.081 0.000 1.063 502 F HN 0.261 nan 8.300 nan 0.000 0.550 503 G N 0.017 108.848 108.800 0.052 0.000 2.141 503 G HA2 -0.107 3.831 3.960 -0.037 0.000 0.242 503 G HA3 -0.107 3.831 3.960 -0.037 0.000 0.242 503 G C 0.480 175.376 174.900 -0.006 0.000 0.982 503 G CA -0.125 44.984 45.100 0.015 0.000 0.662 503 G HN 0.651 nan 8.290 nan 0.000 0.527 504 A N -0.433 122.345 122.820 -0.070 0.000 2.462 504 A HA 0.677 4.975 4.320 -0.037 0.000 0.243 504 A C 1.143 178.790 177.584 0.105 0.000 1.076 504 A CA 1.296 53.298 52.037 -0.058 0.000 0.773 504 A CB 0.380 19.201 19.000 -0.297 0.000 1.010 504 A HN 0.454 nan 8.150 nan 0.000 0.493 505 K N 0.079 120.597 120.400 0.197 0.000 2.403 505 K HA 0.079 4.377 4.320 -0.037 0.000 0.199 505 K C -0.517 176.202 176.600 0.198 0.000 1.199 505 K CA 0.301 56.712 56.287 0.206 0.000 0.924 505 K CB 0.507 33.057 32.500 0.083 0.000 1.137 505 K HN 0.716 nan 8.250 nan 0.000 0.510 506 D N 0.815 121.327 120.400 0.186 0.000 2.472 506 D HA 0.181 4.799 4.640 -0.037 0.000 0.234 506 D C -1.335 175.052 176.300 0.144 0.000 1.088 506 D CA -0.477 53.565 54.000 0.070 0.000 0.882 506 D CB 0.275 41.094 40.800 0.033 0.000 1.037 506 D HN 0.080 nan 8.370 nan 0.000 0.520 507 Y N -0.326 119.942 120.300 -0.054 0.000 2.750 507 Y HA 0.623 5.151 4.550 -0.037 0.000 0.335 507 Y C -1.495 174.357 175.900 -0.081 0.000 1.252 507 Y CA -1.146 56.911 58.100 -0.072 0.000 1.064 507 Y CB 0.898 39.319 38.460 -0.066 0.000 1.321 507 Y HN 0.059 nan 8.280 nan 0.000 0.451 508 E N 0.717 120.922 120.200 0.008 0.000 2.340 508 E HA 0.597 4.925 4.350 -0.037 0.000 0.273 508 E C -1.463 175.119 176.600 -0.030 0.000 0.891 508 E CA -1.214 55.111 56.400 -0.124 0.000 0.757 508 E CB 2.780 32.461 29.700 -0.033 0.000 1.231 508 E HN 0.752 nan 8.360 nan 0.000 0.439 509 T N -0.778 113.640 114.554 -0.227 0.000 2.893 509 T HA 0.576 4.904 4.350 -0.037 0.000 0.291 509 T C -0.610 173.770 174.700 -0.533 0.000 1.028 509 T CA -0.899 61.090 62.100 -0.185 0.000 0.995 509 T CB 1.484 70.349 68.868 -0.004 0.000 1.051 509 T HN 0.396 nan 8.240 nan 0.000 0.470 510 H N 0.642 119.707 119.070 -0.007 0.000 2.996 510 H HA 0.544 5.078 4.556 -0.037 0.000 0.368 510 H C -0.839 174.468 175.328 -0.034 0.000 1.185 510 H CA -0.756 55.267 56.048 -0.041 0.000 1.160 510 H CB 2.611 32.312 29.762 -0.101 0.000 1.820 510 H HN 0.689 nan 8.280 nan 0.000 0.547 511 R N 1.678 122.238 120.500 0.099 0.000 2.562 511 R HA 0.554 4.872 4.340 -0.037 0.000 0.298 511 R C -1.220 175.120 176.300 0.066 0.000 0.961 511 R CA -0.842 55.304 56.100 0.076 0.000 0.881 511 R CB 1.427 31.765 30.300 0.063 0.000 1.159 511 R HN 0.419 nan 8.270 nan 0.000 0.450 512 V N 0.763 120.729 119.914 0.087 0.000 2.709 512 V HA 0.858 4.956 4.120 -0.037 0.000 0.308 512 V C -0.339 175.827 176.094 0.119 0.000 1.062 512 V CA -0.110 62.253 62.300 0.104 0.000 0.901 512 V CB 1.587 33.502 31.823 0.155 0.000 1.003 512 V HN 0.925 nan 8.190 nan 0.000 0.425 513 A N 3.090 125.955 122.820 0.076 0.000 2.606 513 A HA 0.643 4.941 4.320 -0.037 0.000 0.230 513 A C 0.862 178.441 177.584 -0.008 0.000 1.279 513 A CA 0.701 52.763 52.037 0.041 0.000 1.010 513 A CB 0.200 19.215 19.000 0.025 0.000 1.271 513 A HN 1.500 nan 8.150 nan 0.000 0.584 514 T N -4.739 109.808 114.554 -0.012 0.000 2.901 514 T HA 0.448 4.776 4.350 -0.037 0.000 0.293 514 T C 0.842 175.466 174.700 -0.126 0.000 1.084 514 T CA 0.495 62.536 62.100 -0.099 0.000 1.008 514 T CB 1.204 70.022 68.868 -0.084 0.000 1.170 514 T HN -0.113 nan 8.240 nan 0.000 0.509 515 T N 1.317 115.656 114.554 -0.358 0.000 2.720 515 T HA -0.005 4.323 4.350 -0.037 0.000 0.268 515 T C 2.227 176.895 174.700 -0.053 0.000 1.037 515 T CA 2.040 63.840 62.100 -0.500 0.000 1.144 515 T CB -0.990 67.335 68.868 -0.904 0.000 0.864 515 T HN 0.885 nan 8.240 nan 0.000 0.444 516 G N 1.030 109.801 108.800 -0.048 0.000 2.418 516 G HA2 -0.191 3.747 3.960 -0.037 0.000 0.217 516 G HA3 -0.191 3.747 3.960 -0.037 0.000 0.217 516 G C 1.462 176.393 174.900 0.051 0.000 1.158 516 G CA 0.715 45.829 45.100 0.024 0.000 0.771 516 G HN 0.515 nan 8.290 nan 0.000 0.545 517 E N -0.785 119.440 120.200 0.041 0.000 2.072 517 E HA -0.096 4.232 4.350 -0.037 0.000 0.191 517 E C 2.013 178.640 176.600 0.045 0.000 0.985 517 E CA 0.522 56.939 56.400 0.028 0.000 0.801 517 E CB -0.222 29.493 29.700 0.026 0.000 0.750 517 E HN 0.587 nan 8.360 nan 0.000 0.452 518 W N 2.394 123.681 121.300 -0.022 0.000 2.333 518 W HA -0.216 4.421 4.660 -0.037 0.000 0.316 518 W C 1.196 177.733 176.519 0.030 0.000 1.215 518 W CA 1.695 59.060 57.345 0.035 0.000 1.278 518 W CB -0.297 29.285 29.460 0.204 0.000 1.154 518 W HN 0.054 nan 8.180 nan 0.000 0.486 519 D N 0.137 120.772 120.400 0.391 0.000 2.117 519 D HA -0.196 4.422 4.640 -0.037 0.000 0.197 519 D C 2.082 178.402 176.300 0.034 0.000 0.987 519 D CA 1.697 55.848 54.000 0.252 0.000 0.829 519 D CB -0.490 40.485 40.800 0.291 0.000 0.961 519 D HN 0.184 nan 8.370 nan 0.000 0.460 520 K N 0.054 120.451 120.400 -0.004 0.000 2.063 520 K HA -0.160 4.138 4.320 -0.037 0.000 0.208 520 K C 2.063 178.556 176.600 -0.178 0.000 1.048 520 K CA 0.735 56.986 56.287 -0.060 0.000 0.928 520 K CB -0.138 32.334 32.500 -0.048 0.000 0.713 520 K HN 0.041 nan 8.250 nan 0.000 0.442 521 L N 0.836 121.855 121.223 -0.341 0.000 2.023 521 L HA -0.114 4.204 4.340 -0.037 0.000 0.205 521 L C 2.372 178.754 176.870 -0.813 0.000 1.073 521 L CA 2.435 56.867 54.840 -0.680 0.000 0.745 521 L CB -0.931 40.580 42.059 -0.913 0.000 0.900 521 L HN 0.354 nan 8.230 nan 0.000 0.435 522 T N -3.572 110.550 114.554 -0.719 0.000 2.995 522 T HA -0.150 4.178 4.350 -0.037 0.000 0.269 522 T C 1.649 176.378 174.700 0.049 0.000 1.091 522 T CA 1.249 63.066 62.100 -0.472 0.000 1.128 522 T CB -0.367 68.104 68.868 -0.663 0.000 0.891 522 T HN 0.529 nan 8.240 nan 0.000 0.492 523 Q N 0.860 120.666 119.800 0.009 0.000 2.425 523 Q HA 0.166 4.484 4.340 -0.037 0.000 0.204 523 Q C 0.238 176.298 176.000 0.101 0.000 0.933 523 Q CA -0.053 55.811 55.803 0.101 0.000 0.939 523 Q CB 0.065 28.851 28.738 0.080 0.000 1.044 523 Q HN 0.647 nan 8.270 nan 0.000 0.513 524 D N 0.613 121.054 120.400 0.068 0.000 2.425 524 D HA -0.054 4.564 4.640 -0.037 0.000 0.247 524 D C 0.909 177.311 176.300 0.171 0.000 1.147 524 D CA 0.066 54.120 54.000 0.090 0.000 0.879 524 D CB 0.818 41.644 40.800 0.043 0.000 1.179 524 D HN -0.239 nan 8.370 nan 0.000 0.456 525 K N 1.959 122.433 120.400 0.123 0.000 2.057 525 K HA -0.134 4.164 4.320 -0.037 0.000 0.207 525 K C 2.135 178.816 176.600 0.135 0.000 1.049 525 K CA 1.411 57.768 56.287 0.117 0.000 0.931 525 K CB -0.879 31.667 32.500 0.077 0.000 0.714 525 K HN 0.617 nan 8.250 nan 0.000 0.440 526 S N 0.880 116.659 115.700 0.132 0.000 2.368 526 S HA -0.148 4.300 4.470 -0.037 0.000 0.225 526 S C 2.051 176.760 174.600 0.182 0.000 1.030 526 S CA 0.886 59.162 58.200 0.127 0.000 0.999 526 S CB -0.849 62.415 63.200 0.106 0.000 0.844 526 S HN 0.264 nan 8.310 nan 0.000 0.459 527 F N 3.520 123.520 119.950 0.083 0.000 2.154 527 F HA -0.083 4.422 4.527 -0.037 0.000 0.301 527 F C 2.001 177.986 175.800 0.308 0.000 1.087 527 F CA 1.524 59.604 58.000 0.133 0.000 1.274 527 F CB -0.550 38.468 39.000 0.030 0.000 1.009 527 F HN 0.207 nan 8.300 nan 0.000 0.485 528 N N 0.577 119.452 118.700 0.293 0.000 2.521 528 N HA -0.078 4.640 4.740 -0.037 0.000 0.188 528 N C -0.389 175.198 175.510 0.128 0.000 1.146 528 N CA 0.725 53.900 53.050 0.209 0.000 0.893 528 N CB -0.564 38.029 38.487 0.176 0.000 0.975 528 N HN 0.437 nan 8.380 nan 0.000 0.451 529 D N 0.831 121.298 120.400 0.112 0.000 2.312 529 D HA -0.030 4.588 4.640 -0.037 0.000 0.252 529 D C 0.219 176.562 176.300 0.071 0.000 1.150 529 D CA -0.574 53.468 54.000 0.071 0.000 0.870 529 D CB 0.195 41.022 40.800 0.046 0.000 1.153 529 D HN -0.014 nan 8.370 nan 0.000 0.457 530 N N 1.772 120.520 118.700 0.079 0.000 3.210 530 N HA -0.072 4.645 4.740 -0.037 0.000 0.314 530 N C 0.232 175.718 175.510 -0.040 0.000 1.291 530 N CA -0.322 52.747 53.050 0.032 0.000 1.202 530 N CB -0.164 38.386 38.487 0.105 0.000 1.475 530 N HN 0.376 nan 8.380 nan 0.000 0.554 531 S N -0.896 114.768 115.700 -0.061 0.000 2.524 531 S HA 0.039 4.486 4.470 -0.037 0.000 0.216 531 S C 0.471 175.035 174.600 -0.061 0.000 0.987 531 S CA -0.151 58.024 58.200 -0.043 0.000 0.909 531 S CB -0.061 63.125 63.200 -0.023 0.000 0.781 531 S HN 0.659 nan 8.310 nan 0.000 0.521 532 K N -0.126 120.205 120.400 -0.114 0.000 2.575 532 K HA 0.497 4.795 4.320 -0.037 0.000 0.279 532 K C -1.254 175.242 176.600 -0.173 0.000 0.969 532 K CA -0.998 55.230 56.287 -0.098 0.000 0.868 532 K CB 0.934 33.397 32.500 -0.061 0.000 1.457 532 K HN 0.115 nan 8.250 nan 0.000 0.426 533 I N 1.415 121.923 120.570 -0.104 0.000 2.692 533 I HA 0.090 4.238 4.170 -0.037 0.000 0.284 533 I C -0.638 175.406 176.117 -0.121 0.000 1.159 533 I CA 0.093 61.317 61.300 -0.128 0.000 1.423 533 I CB 0.343 38.314 38.000 -0.049 0.000 1.380 533 I HN 0.559 nan 8.210 nan 0.000 0.580 534 R N 7.581 127.958 120.500 -0.205 0.000 2.621 534 R HA 0.510 4.828 4.340 -0.037 0.000 0.284 534 R C -1.214 175.018 176.300 -0.113 0.000 0.998 534 R CA -0.847 55.168 56.100 -0.141 0.000 0.895 534 R CB 2.220 32.362 30.300 -0.264 0.000 1.195 534 R HN 0.617 nan 8.270 nan 0.000 0.450 535 M N 3.453 123.030 119.600 -0.039 0.000 2.311 535 M HA 0.497 4.955 4.480 -0.037 0.000 0.325 535 M C -1.586 174.676 176.300 -0.064 0.000 1.061 535 M CA -0.826 54.431 55.300 -0.072 0.000 0.957 535 M CB 1.389 33.973 32.600 -0.025 0.000 1.646 535 M HN 0.545 nan 8.290 nan 0.000 0.434 536 I N 3.805 124.258 120.570 -0.195 0.000 2.411 536 I HA 0.305 4.453 4.170 -0.037 0.000 0.284 536 I C -0.428 175.654 176.117 -0.057 0.000 1.012 536 I CA -0.219 60.976 61.300 -0.175 0.000 1.119 536 I CB 1.736 39.413 38.000 -0.539 0.000 1.261 536 I HN 0.633 nan 8.210 nan 0.000 0.448 537 E N 5.946 126.164 120.200 0.031 0.000 2.152 537 E HA 0.423 4.751 4.350 -0.037 0.000 0.285 537 E C -1.222 175.450 176.600 0.120 0.000 1.043 537 E CA -0.468 55.975 56.400 0.072 0.000 0.839 537 E CB 0.989 30.756 29.700 0.112 0.000 1.069 537 E HN 0.402 nan 8.360 nan 0.000 0.399 538 V N 6.351 126.359 119.914 0.157 0.000 2.350 538 V HA 0.223 4.321 4.120 -0.037 0.000 0.276 538 V C 0.061 176.241 176.094 0.144 0.000 1.028 538 V CA -0.694 61.734 62.300 0.215 0.000 0.860 538 V CB 1.190 33.209 31.823 0.326 0.000 0.990 538 V HN 0.764 nan 8.190 nan 0.000 0.453 539 M N 6.868 126.539 119.600 0.118 0.000 2.084 539 M HA 0.544 5.002 4.480 -0.037 0.000 0.351 539 M C -0.726 175.607 176.300 0.055 0.000 1.240 539 M CA 0.017 55.364 55.300 0.079 0.000 1.083 539 M CB 0.552 33.190 32.600 0.064 0.000 1.593 539 M HN 0.423 nan 8.290 nan 0.000 0.463 540 L N 4.721 125.971 121.223 0.046 0.000 2.371 540 L HA 0.620 4.938 4.340 -0.037 0.000 0.262 540 L C -2.194 174.687 176.870 0.018 0.000 1.006 540 L CA -1.954 52.903 54.840 0.028 0.000 0.818 540 L CB 2.458 44.540 42.059 0.037 0.000 1.354 540 L HN 0.404 nan 8.230 nan 0.000 0.415 541 P HA 0.069 nan 4.420 nan 0.000 0.269 541 P C 0.812 178.107 177.300 -0.008 0.000 1.215 541 P CA -0.442 62.671 63.100 0.021 0.000 0.780 541 P CB 0.785 32.513 31.700 0.046 0.000 0.898 542 V N 0.902 120.788 119.914 -0.046 0.000 2.287 542 V HA -0.240 3.858 4.120 -0.037 0.000 0.248 542 V C 1.493 177.362 176.094 -0.375 0.000 1.053 542 V CA 2.019 64.168 62.300 -0.251 0.000 1.027 542 V CB -1.080 30.512 31.823 -0.385 0.000 0.646 542 V HN 0.521 nan 8.190 nan 0.000 0.447 543 F N -0.535 119.416 119.950 0.002 0.000 2.693 543 F HA 0.280 4.785 4.527 -0.037 0.000 0.303 543 F C 0.831 176.631 175.800 -0.001 0.000 1.097 543 F CA -0.654 57.344 58.000 -0.004 0.000 1.330 543 F CB -0.112 38.881 39.000 -0.012 0.000 1.067 543 F HN 0.121 nan 8.300 nan 0.000 0.565 544 D N 1.146 121.610 120.400 0.107 0.000 2.382 544 D HA 0.512 5.130 4.640 -0.037 0.000 0.245 544 D C -0.275 176.067 176.300 0.070 0.000 1.120 544 D CA 0.323 54.373 54.000 0.082 0.000 0.890 544 D CB 0.907 41.743 40.800 0.060 0.000 1.201 544 D HN 0.200 nan 8.370 nan 0.000 0.433 545 A N 3.123 125.989 122.820 0.078 0.000 2.601 545 A HA 0.592 4.890 4.320 -0.037 0.000 0.291 545 A C -2.810 174.834 177.584 0.101 0.000 1.075 545 A CA -1.222 50.861 52.037 0.076 0.000 0.671 545 A CB 1.221 20.218 19.000 -0.005 0.000 1.277 545 A HN 0.490 nan 8.150 nan 0.000 0.417 546 P HA 0.111 nan 4.420 nan 0.000 0.272 546 P C 0.246 177.580 177.300 0.058 0.000 1.223 546 P CA 0.123 63.300 63.100 0.128 0.000 0.784 546 P CB 0.638 32.386 31.700 0.079 0.000 0.923 547 Q N 2.098 121.933 119.800 0.060 0.000 2.152 547 Q HA -0.195 4.123 4.340 -0.037 0.000 0.206 547 Q C 1.703 177.719 176.000 0.027 0.000 0.985 547 Q CA 1.983 57.808 55.803 0.037 0.000 0.863 547 Q CB -0.772 27.988 28.738 0.037 0.000 0.904 547 Q HN 0.628 nan 8.270 nan 0.000 0.422 548 N N 0.477 119.200 118.700 0.038 0.000 2.120 548 N HA -0.175 4.543 4.740 -0.037 0.000 0.188 548 N C 1.689 177.244 175.510 0.074 0.000 1.024 548 N CA 1.193 54.281 53.050 0.063 0.000 0.852 548 N CB -0.823 37.709 38.487 0.075 0.000 1.003 548 N HN 0.235 nan 8.380 nan 0.000 0.424 549 L N 0.266 121.490 121.223 0.001 0.000 2.179 549 L HA 0.149 4.467 4.340 -0.037 0.000 0.208 549 L C 2.079 178.846 176.870 -0.172 0.000 1.096 549 L CA 0.825 55.505 54.840 -0.266 0.000 0.779 549 L CB -0.453 41.244 42.059 -0.603 0.000 0.922 549 L HN 0.009 nan 8.230 nan 0.000 0.443 550 V N -0.127 119.741 119.914 -0.077 0.000 2.343 550 V HA -0.285 3.813 4.120 -0.037 0.000 0.247 550 V C 2.463 178.543 176.094 -0.025 0.000 1.051 550 V CA 2.147 64.425 62.300 -0.037 0.000 1.036 550 V CB -0.534 31.287 31.823 -0.003 0.000 0.654 550 V HN 0.505 nan 8.190 nan 0.000 0.451 551 E N -0.957 119.236 120.200 -0.011 0.000 2.216 551 E HA -0.167 4.161 4.350 -0.037 0.000 0.192 551 E C 2.262 178.866 176.600 0.008 0.000 0.988 551 E CA 0.417 56.818 56.400 0.002 0.000 0.834 551 E CB -0.006 29.700 29.700 0.011 0.000 0.772 551 E HN 0.560 nan 8.360 nan 0.000 0.479 552 Q N 0.693 120.498 119.800 0.008 0.000 2.123 552 Q HA -0.025 4.293 4.340 -0.037 0.000 0.199 552 Q C 0.736 176.738 176.000 0.004 0.000 0.966 552 Q CA 0.500 56.319 55.803 0.027 0.000 0.845 552 Q CB 0.107 28.892 28.738 0.078 0.000 0.907 552 Q HN 0.108 nan 8.270 nan 0.000 0.439 553 A N 0.788 123.584 122.820 -0.039 0.000 2.366 553 A HA 0.101 4.399 4.320 -0.037 0.000 0.250 553 A C 0.461 178.045 177.584 -0.001 0.000 1.099 553 A CA 0.760 52.783 52.037 -0.023 0.000 0.794 553 A CB 0.220 19.194 19.000 -0.044 0.000 1.056 553 A HN 0.513 nan 8.150 nan 0.000 0.499 554 K N -1.922 118.483 120.400 0.009 0.000 7.487 554 K HA -0.279 4.019 4.320 -0.037 0.000 0.481 554 K C 1.051 177.663 176.600 0.020 0.000 0.360 554 K CA 1.678 57.971 56.287 0.011 0.000 1.960 554 K CB -1.634 30.869 32.500 0.004 0.000 0.652 554 K HN 0.388 nan 8.250 nan 0.000 0.846 555 L N 0.854 122.091 121.223 0.022 0.000 2.005 555 L HA -0.054 4.264 4.340 -0.037 0.000 0.207 555 L C 2.116 179.011 176.870 0.042 0.000 1.072 555 L CA 2.406 57.264 54.840 0.031 0.000 0.744 555 L CB -0.725 41.353 42.059 0.032 0.000 0.895 555 L HN 0.433 nan 8.230 nan 0.000 0.433 556 T N -0.818 113.766 114.554 0.049 0.000 3.565 556 T HA 0.360 4.688 4.350 -0.037 0.000 0.248 556 T C 0.570 175.310 174.700 0.067 0.000 1.033 556 T CA 0.677 62.817 62.100 0.066 0.000 0.952 556 T CB -0.448 68.475 68.868 0.090 0.000 1.072 556 T HN 0.369 nan 8.240 nan 0.000 0.609 557 A N -0.456 122.399 122.820 0.058 0.000 2.502 557 A HA 0.728 5.026 4.320 -0.037 0.000 0.253 557 A C 0.661 178.275 177.584 0.050 0.000 0.938 557 A CA 0.091 52.168 52.037 0.066 0.000 1.086 557 A CB -0.224 18.815 19.000 0.066 0.000 1.176 557 A HN 0.580 nan 8.150 nan 0.000 0.499 558 A N 0.000 122.845 122.820 0.042 0.000 2.254 558 A HA 0.000 4.298 4.320 -0.037 0.000 0.244 558 A CA 0.000 52.056 52.037 0.032 0.000 0.836 558 A CB 0.000 19.016 19.000 0.027 0.000 0.831 558 A HN 0.000 nan 8.150 nan 0.000 0.486