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 2nwb_1_B DATA FIRST_RESID 6 DATA SEQUENCE YNTEAFDEWI RSRFVELNSQ LEQLYYQQTD RANVQEVGTE LKHTLESEGR DATA SEQUENCE ELVKALLDEG NTDEGFDSAF DLLGNVGLYM AACRRHEITE PTRETTSPLL DATA SEQUENCE EASALAMHIG ASIGVTPRFA TAHLTTHNRA HNGIYKRFTD LPDEKLFVDY DATA SEQUENCE NTKGILAYKR ASDALLKIQP LGISHPISHD LLRVTKQALQ DVIESNQQLF DATA SEQUENCE NRLDTDRFFY CVRPYYKPYR VGSVVYRGAN AGDFAGINVI DLTLGLCFAN DATA SEQUENCE EASYSQMLVD KFLYMMPEDQ QILRECMRRP NLMDDFLQAK GCIHQDWYQE DATA SEQUENCE NLKLFIEVCE LHGQTAIQHH NELVTKYXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XVLLASLERL RDRRAAVLRD DIRTRYYDLK KLKDSLRLE 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 6 Y HA 0.000 nan 4.550 nan 0.000 0.201 6 Y C 0.000 175.902 175.900 0.004 0.000 1.272 6 Y CA 0.000 58.101 58.100 0.001 0.000 1.940 6 Y CB 0.000 38.459 38.460 -0.001 0.000 1.050 7 N N -0.406 118.262 118.700 -0.053 0.000 2.120 7 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 7 N C 1.364 176.798 175.510 -0.128 0.000 1.024 7 N CA 2.204 55.177 53.050 -0.128 0.000 0.852 7 N CB -0.029 38.407 38.487 -0.085 0.000 1.003 7 N HN 0.240 nan 8.380 nan 0.000 0.424 8 T N 1.010 115.519 114.554 -0.074 0.000 2.652 8 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 8 T C 1.545 176.209 174.700 -0.060 0.000 1.039 8 T CA 1.210 63.292 62.100 -0.031 0.000 1.153 8 T CB -0.280 68.577 68.868 -0.018 0.000 0.863 8 T HN 0.324 nan 8.240 nan 0.000 0.428 9 E N 1.018 121.141 120.200 -0.130 0.000 2.110 9 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 9 E C 2.590 179.025 176.600 -0.275 0.000 0.988 9 E CA 0.877 57.179 56.400 -0.163 0.000 0.804 9 E CB -0.237 29.394 29.700 -0.114 0.000 0.745 9 E HN 0.473 nan 8.360 nan 0.000 0.458 10 A N 1.188 123.702 122.820 -0.509 0.000 1.908 10 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 10 A C 1.958 179.517 177.584 -0.043 0.000 1.181 10 A CA 1.184 52.980 52.037 -0.401 0.000 0.627 10 A CB -0.602 18.128 19.000 -0.451 0.000 0.818 10 A HN 0.308 nan 8.150 nan 0.000 0.445 11 F N 0.930 120.759 119.950 -0.201 0.000 2.206 11 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 11 F C 1.734 177.514 175.800 -0.033 0.000 1.090 11 F CA 1.412 59.338 58.000 -0.123 0.000 1.323 11 F CB -0.664 38.221 39.000 -0.192 0.000 1.028 11 F HN 0.373 nan 8.300 nan 0.000 0.492 12 D N -0.096 120.223 120.400 -0.136 0.000 2.117 12 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 12 D C 2.042 178.243 176.300 -0.164 0.000 0.982 12 D CA 1.550 55.398 54.000 -0.253 0.000 0.828 12 D CB -0.112 40.594 40.800 -0.155 0.000 0.967 12 D HN 0.419 nan 8.370 nan 0.000 0.464 13 E N -0.967 119.201 120.200 -0.054 0.000 2.153 13 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 13 E C 1.593 178.205 176.600 0.020 0.000 0.988 13 E CA 0.607 57.002 56.400 -0.008 0.000 0.811 13 E CB -0.176 29.542 29.700 0.029 0.000 0.746 13 E HN 0.487 nan 8.360 nan 0.000 0.466 14 W N 1.289 122.523 121.300 -0.109 0.000 2.379 14 W HA -0.149 4.511 4.660 -0.000 0.000 0.307 14 W C 1.747 178.210 176.519 -0.094 0.000 1.200 14 W CA 0.894 58.205 57.345 -0.057 0.000 1.297 14 W CB -0.093 29.373 29.460 0.009 0.000 1.140 14 W HN -0.065 nan 8.180 nan 0.000 0.507 15 I N 1.088 121.493 120.570 -0.274 0.000 2.335 15 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 15 I C 1.898 177.784 176.117 -0.385 0.000 1.129 15 I CA 1.654 62.593 61.300 -0.600 0.000 1.402 15 I CB -1.214 36.337 38.000 -0.749 0.000 1.069 15 I HN 0.129 nan 8.210 nan 0.000 0.424 16 R N -0.042 120.283 120.500 -0.290 0.000 2.317 16 R HA 0.028 4.368 4.340 -0.000 0.000 0.208 16 R C 1.688 177.881 176.300 -0.178 0.000 0.914 16 R CA 0.603 56.568 56.100 -0.225 0.000 1.060 16 R CB 0.238 30.415 30.300 -0.206 0.000 1.015 16 R HN 0.470 nan 8.270 nan 0.000 0.498 17 S N -0.275 115.302 115.700 -0.205 0.000 3.385 17 S HA 0.114 4.584 4.470 -0.000 0.000 0.176 17 S C 1.551 176.015 174.600 -0.227 0.000 0.851 17 S CA -0.691 57.409 58.200 -0.167 0.000 1.039 17 S CB 0.067 63.212 63.200 -0.093 0.000 1.241 17 S HN -0.011 nan 8.310 nan 0.000 0.859 18 R N 0.416 120.750 120.500 -0.276 0.000 2.105 18 R HA -0.027 4.313 4.340 -0.000 0.000 0.239 18 R C 2.150 178.206 176.300 -0.406 0.000 1.135 18 R CA 1.607 57.545 56.100 -0.269 0.000 0.967 18 R CB -0.831 29.399 30.300 -0.117 0.000 0.861 18 R HN 0.473 nan 8.270 nan 0.000 0.442 19 F N 1.852 121.207 119.950 -0.992 0.000 2.091 19 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 19 F C 2.179 177.730 175.800 -0.415 0.000 1.103 19 F CA 1.523 58.979 58.000 -0.907 0.000 1.228 19 F CB -0.329 37.996 39.000 -1.124 0.000 0.984 19 F HN -0.282 nan 8.300 nan 0.000 0.477 20 V N 0.292 120.034 119.914 -0.287 0.000 2.343 20 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 20 V C 2.244 178.197 176.094 -0.235 0.000 1.051 20 V CA 2.264 64.402 62.300 -0.270 0.000 1.036 20 V CB -0.821 30.893 31.823 -0.180 0.000 0.654 20 V HN 0.347 nan 8.190 nan 0.000 0.451 21 E N 0.248 120.330 120.200 -0.196 0.000 2.031 21 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 21 E C 2.246 178.762 176.600 -0.140 0.000 0.994 21 E CA 1.501 57.817 56.400 -0.139 0.000 0.800 21 E CB -0.288 29.349 29.700 -0.105 0.000 0.752 21 E HN 0.483 nan 8.360 nan 0.000 0.447 22 L N 1.237 122.365 121.223 -0.158 0.000 1.990 22 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 22 L C 2.233 179.004 176.870 -0.165 0.000 1.072 22 L CA 1.011 55.768 54.840 -0.139 0.000 0.755 22 L CB -0.645 41.357 42.059 -0.096 0.000 0.889 22 L HN 0.191 nan 8.230 nan 0.000 0.432 23 N N -0.356 118.222 118.700 -0.203 0.000 2.120 23 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 23 N C 2.039 177.550 175.510 0.001 0.000 1.024 23 N CA 1.615 54.639 53.050 -0.042 0.000 0.852 23 N CB -0.259 38.142 38.487 -0.144 0.000 1.003 23 N HN 0.235 nan 8.380 nan 0.000 0.424 24 S N 1.622 117.277 115.700 -0.074 0.000 2.351 24 S HA -0.156 4.314 4.470 -0.000 0.000 0.220 24 S C 1.967 176.533 174.600 -0.058 0.000 1.035 24 S CA 1.096 59.266 58.200 -0.050 0.000 1.031 24 S CB -0.394 62.761 63.200 -0.075 0.000 0.928 24 S HN 0.406 nan 8.310 nan 0.000 0.433 25 Q N 0.493 120.241 119.800 -0.087 0.000 2.152 25 Q HA -0.087 4.253 4.340 -0.000 0.000 0.206 25 Q C 2.215 178.122 176.000 -0.155 0.000 0.985 25 Q CA 1.173 56.915 55.803 -0.101 0.000 0.863 25 Q CB -0.384 28.296 28.738 -0.097 0.000 0.904 25 Q HN 0.460 nan 8.270 nan 0.000 0.422 26 L N 0.432 121.539 121.223 -0.193 0.000 2.093 26 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 26 L C 2.263 178.853 176.870 -0.466 0.000 1.085 26 L CA 0.778 55.390 54.840 -0.380 0.000 0.755 26 L CB -0.185 41.653 42.059 -0.368 0.000 0.904 26 L HN 0.182 nan 8.230 nan 0.000 0.435 27 E N -0.313 119.845 120.200 -0.070 0.000 2.204 27 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 27 E C 1.984 178.610 176.600 0.043 0.000 0.990 27 E CA 0.891 57.363 56.400 0.121 0.000 0.821 27 E CB -0.067 29.727 29.700 0.158 0.000 0.750 27 E HN 0.528 nan 8.360 nan 0.000 0.477 28 Q N 0.257 120.032 119.800 -0.042 0.000 2.079 28 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 28 Q C 2.331 178.327 176.000 -0.007 0.000 0.974 28 Q CA 0.896 56.697 55.803 -0.004 0.000 0.840 28 Q CB 0.031 28.749 28.738 -0.033 0.000 0.898 28 Q HN 0.245 nan 8.270 nan 0.000 0.430 29 L N -0.568 120.570 121.223 -0.142 0.000 2.017 29 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 29 L C 2.291 179.133 176.870 -0.046 0.000 1.073 29 L CA 1.177 55.927 54.840 -0.150 0.000 0.745 29 L CB -0.791 41.096 42.059 -0.286 0.000 0.894 29 L HN 0.304 nan 8.230 nan 0.000 0.432 30 Y N -1.302 119.036 120.300 0.063 0.000 2.207 30 Y HA -0.288 4.262 4.550 -0.000 0.000 0.287 30 Y C 2.541 178.486 175.900 0.076 0.000 1.156 30 Y CA 1.035 59.172 58.100 0.062 0.000 1.182 30 Y CB -1.136 37.371 38.460 0.079 0.000 0.979 30 Y HN 0.066 nan 8.280 nan 0.000 0.521 31 Y N 0.812 121.181 120.300 0.115 0.000 2.242 31 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 31 Y C 2.301 178.199 175.900 -0.004 0.000 1.137 31 Y CA 1.376 59.498 58.100 0.037 0.000 1.181 31 Y CB -0.440 38.047 38.460 0.047 0.000 0.989 31 Y HN 0.205 nan 8.280 nan 0.000 0.527 32 Q N -0.004 119.833 119.800 0.062 0.000 2.170 32 Q HA -0.168 4.172 4.340 -0.000 0.000 0.203 32 Q C 0.715 176.679 176.000 -0.059 0.000 0.976 32 Q CA 0.767 56.562 55.803 -0.013 0.000 0.858 32 Q CB -0.100 28.643 28.738 0.010 0.000 0.907 32 Q HN 0.554 nan 8.270 nan 0.000 0.433 33 Q N -0.463 119.314 119.800 -0.038 0.000 2.700 33 Q HA -0.074 4.266 4.340 -0.000 0.000 0.232 33 Q C 1.185 177.121 176.000 -0.107 0.000 1.110 33 Q CA 0.751 56.526 55.803 -0.047 0.000 1.026 33 Q CB 0.297 29.033 28.738 -0.004 0.000 1.311 33 Q HN 0.048 nan 8.270 nan 0.000 0.583 34 T N -1.304 113.198 114.554 -0.088 0.000 3.031 34 T HA -0.094 4.256 4.350 -0.000 0.000 0.254 34 T C 1.127 175.753 174.700 -0.123 0.000 1.060 34 T CA 0.990 63.028 62.100 -0.105 0.000 1.135 34 T CB 0.063 68.891 68.868 -0.068 0.000 0.896 34 T HN 0.550 nan 8.240 nan 0.000 0.472 35 D N 0.621 120.964 120.400 -0.094 0.000 2.120 35 D HA 0.003 4.643 4.640 -0.000 0.000 0.202 35 D C 1.852 178.054 176.300 -0.164 0.000 0.972 35 D CA 0.910 54.858 54.000 -0.086 0.000 0.837 35 D CB -0.041 40.738 40.800 -0.036 0.000 0.989 35 D HN 0.368 nan 8.370 nan 0.000 0.469 36 R N -1.768 118.640 120.500 -0.152 0.000 3.902 36 R HA -0.276 4.064 4.340 -0.000 0.000 0.445 36 R C 1.244 177.485 176.300 -0.098 0.000 0.709 36 R CA 1.341 57.316 56.100 -0.207 0.000 1.607 36 R CB -1.745 28.219 30.300 -0.561 0.000 2.233 36 R HN 0.229 nan 8.270 nan 0.000 0.430 37 A N 0.346 123.144 122.820 -0.036 0.000 2.267 37 A HA 0.164 4.484 4.320 -0.000 0.000 0.213 37 A C 0.559 178.111 177.584 -0.053 0.000 1.192 37 A CA 0.210 52.292 52.037 0.074 0.000 0.851 37 A CB -0.096 19.043 19.000 0.231 0.000 0.881 37 A HN 0.416 nan 8.150 nan 0.000 0.494 38 N N 0.350 119.024 118.700 -0.044 0.000 2.529 38 N HA 0.256 4.996 4.740 -0.000 0.000 0.278 38 N C 0.177 175.642 175.510 -0.076 0.000 1.146 38 N CA 0.219 53.243 53.050 -0.044 0.000 0.980 38 N CB 1.457 39.944 38.487 0.001 0.000 1.124 38 N HN -0.058 nan 8.380 nan 0.000 0.458 39 V N 1.224 121.093 119.914 -0.075 0.000 3.485 39 V HA 0.114 4.234 4.120 -0.000 0.000 0.280 39 V C 0.347 176.495 176.094 0.091 0.000 1.495 39 V CA -0.106 62.179 62.300 -0.025 0.000 1.018 39 V CB 0.131 31.834 31.823 -0.200 0.000 0.818 39 V HN 0.588 nan 8.190 nan 0.000 0.436 40 Q N 1.004 120.830 119.800 0.044 0.000 2.364 40 Q HA 0.263 4.603 4.340 -0.000 0.000 0.267 40 Q C 0.319 176.353 176.000 0.057 0.000 0.999 40 Q CA 0.524 56.353 55.803 0.044 0.000 0.886 40 Q CB 0.177 28.929 28.738 0.022 0.000 1.243 40 Q HN 0.366 nan 8.270 nan 0.000 0.415 41 E N -0.873 119.357 120.200 0.049 0.000 2.228 41 E HA -0.160 4.190 4.350 -0.000 0.000 0.213 41 E C -1.549 175.079 176.600 0.047 0.000 1.282 41 E CA 0.762 57.185 56.400 0.039 0.000 0.707 41 E CB -0.963 28.753 29.700 0.026 0.000 1.150 41 E HN 0.260 nan 8.360 nan 0.000 0.362 42 V N -1.129 118.825 119.914 0.066 0.000 2.924 42 V HA 0.620 4.740 4.120 -0.000 0.000 0.300 42 V C 0.888 176.994 176.094 0.019 0.000 1.227 42 V CA 0.315 62.645 62.300 0.051 0.000 0.954 42 V CB 1.873 33.762 31.823 0.110 0.000 1.055 42 V HN 0.834 nan 8.190 nan 0.000 0.429 43 G N 4.187 112.954 108.800 -0.055 0.000 2.258 43 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.274 43 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.274 43 G C 0.699 175.576 174.900 -0.039 0.000 1.021 43 G CA 1.169 46.212 45.100 -0.096 0.000 0.798 43 G HN 1.356 nan 8.290 nan 0.000 0.507 44 T N 0.051 114.603 114.554 -0.003 0.000 2.737 44 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 44 T C 2.140 176.861 174.700 0.036 0.000 1.040 44 T CA 1.647 63.760 62.100 0.023 0.000 1.142 44 T CB -0.077 68.801 68.868 0.017 0.000 0.861 44 T HN 0.483 nan 8.240 nan 0.000 0.456 45 E N 1.052 121.263 120.200 0.018 0.000 2.047 45 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 45 E C 2.376 179.015 176.600 0.065 0.000 0.987 45 E CA 0.721 57.147 56.400 0.042 0.000 0.799 45 E CB -0.469 29.239 29.700 0.015 0.000 0.752 45 E HN 0.473 nan 8.360 nan 0.000 0.449 46 L N 0.810 122.035 121.223 0.003 0.000 2.083 46 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 46 L C 2.445 179.305 176.870 -0.015 0.000 1.083 46 L CA 1.206 56.031 54.840 -0.025 0.000 0.752 46 L CB -0.356 41.638 42.059 -0.109 0.000 0.899 46 L HN 0.044 nan 8.230 nan 0.000 0.433 47 K N -0.798 119.593 120.400 -0.015 0.000 2.057 47 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 47 K C 2.150 178.804 176.600 0.090 0.000 1.049 47 K CA 1.611 57.906 56.287 0.013 0.000 0.931 47 K CB -0.332 32.190 32.500 0.036 0.000 0.714 47 K HN 0.285 nan 8.250 nan 0.000 0.440 48 H N 0.799 119.892 119.070 0.038 0.000 2.387 48 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 48 H C 1.681 177.057 175.328 0.079 0.000 1.090 48 H CA 2.190 58.270 56.048 0.053 0.000 1.332 48 H CB -0.131 29.651 29.762 0.033 0.000 1.386 48 H HN 0.040 nan 8.280 nan 0.000 0.516 49 T N 0.947 115.512 114.554 0.018 0.000 2.737 49 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 49 T C 2.011 176.779 174.700 0.113 0.000 1.038 49 T CA 1.168 63.283 62.100 0.026 0.000 1.144 49 T CB -0.451 68.483 68.868 0.111 0.000 0.866 49 T HN 0.203 nan 8.240 nan 0.000 0.434 50 L N 1.440 122.780 121.223 0.195 0.000 2.012 50 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 50 L C 2.470 179.604 176.870 0.440 0.000 1.073 50 L CA 1.957 57.046 54.840 0.415 0.000 0.748 50 L CB -0.719 41.525 42.059 0.307 0.000 0.891 50 L HN 0.300 nan 8.230 nan 0.000 0.431 51 E N -1.399 118.947 120.200 0.244 0.000 2.051 51 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 51 E C 2.252 178.904 176.600 0.087 0.000 0.991 51 E CA 1.382 57.920 56.400 0.230 0.000 0.799 51 E CB -0.210 29.547 29.700 0.094 0.000 0.748 51 E HN 0.561 nan 8.360 nan 0.000 0.449 52 S N 0.127 115.751 115.700 -0.126 0.000 2.343 52 S HA -0.206 4.264 4.470 -0.000 0.000 0.219 52 S C 1.833 176.297 174.600 -0.226 0.000 1.033 52 S CA 1.667 59.731 58.200 -0.227 0.000 1.014 52 S CB -0.294 62.643 63.200 -0.438 0.000 0.915 52 S HN 0.332 nan 8.310 nan 0.000 0.435 53 E N 0.067 120.144 120.200 -0.205 0.000 2.085 53 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 53 E C 2.267 178.366 176.600 -0.834 0.000 0.994 53 E CA 0.958 57.126 56.400 -0.388 0.000 0.801 53 E CB -0.610 28.982 29.700 -0.179 0.000 0.743 53 E HN 0.675 nan 8.360 nan 0.000 0.453 54 G N 1.413 109.673 108.800 -0.901 0.000 2.421 54 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 54 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 54 G C 1.531 175.758 174.900 -1.122 0.000 1.171 54 G CA 0.808 45.095 45.100 -1.354 0.000 0.775 54 G HN 0.117 nan 8.290 nan 0.000 0.543 55 R N 0.177 120.287 120.500 -0.651 0.000 2.096 55 R HA -0.118 4.222 4.340 -0.000 0.000 0.240 55 R C 2.466 178.504 176.300 -0.437 0.000 1.139 55 R CA 1.722 57.568 56.100 -0.425 0.000 0.952 55 R CB -0.224 29.983 30.300 -0.154 0.000 0.854 55 R HN 0.210 nan 8.270 nan 0.000 0.436 56 E N 0.764 120.726 120.200 -0.396 0.000 2.058 56 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 56 E C 2.110 178.466 176.600 -0.407 0.000 0.997 56 E CA 1.268 57.469 56.400 -0.332 0.000 0.801 56 E CB -0.311 29.226 29.700 -0.272 0.000 0.746 56 E HN 0.426 nan 8.360 nan 0.000 0.450 57 L N 0.191 121.070 121.223 -0.574 0.000 2.083 57 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 57 L C 2.502 178.925 176.870 -0.746 0.000 1.083 57 L CA 0.601 55.069 54.840 -0.620 0.000 0.752 57 L CB -0.258 41.372 42.059 -0.716 0.000 0.899 57 L HN -0.003 nan 8.230 nan 0.000 0.433 58 V N -0.257 119.114 119.914 -0.906 0.000 2.358 58 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 58 V C 2.492 178.328 176.094 -0.431 0.000 1.047 58 V CA 1.674 63.504 62.300 -0.783 0.000 1.035 58 V CB -0.435 30.968 31.823 -0.701 0.000 0.658 58 V HN 0.407 nan 8.190 nan 0.000 0.452 59 K N 0.197 120.388 120.400 -0.348 0.000 2.103 59 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 59 K C 2.138 178.626 176.600 -0.187 0.000 1.048 59 K CA 1.523 57.679 56.287 -0.218 0.000 0.930 59 K CB -0.284 32.107 32.500 -0.182 0.000 0.716 59 K HN 0.460 nan 8.250 nan 0.000 0.444 60 A N 0.796 123.484 122.820 -0.220 0.000 1.930 60 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 60 A C 2.006 179.500 177.584 -0.151 0.000 1.175 60 A CA 1.109 53.046 52.037 -0.166 0.000 0.627 60 A CB -0.390 18.505 19.000 -0.175 0.000 0.815 60 A HN 0.275 nan 8.150 nan 0.000 0.443 61 L N -0.943 120.159 121.223 -0.201 0.000 2.072 61 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 61 L C 2.461 179.255 176.870 -0.128 0.000 1.079 61 L CA 0.702 55.443 54.840 -0.165 0.000 0.752 61 L CB -0.399 41.534 42.059 -0.211 0.000 0.906 61 L HN 0.371 nan 8.230 nan 0.000 0.436 62 L N 0.008 121.152 121.223 -0.132 0.000 2.191 62 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 62 L C 2.139 178.980 176.870 -0.048 0.000 1.103 62 L CA 1.223 56.015 54.840 -0.079 0.000 0.769 62 L CB -0.259 41.755 42.059 -0.074 0.000 0.908 62 L HN 0.372 nan 8.230 nan 0.000 0.438 63 D N 0.134 120.497 120.400 -0.061 0.000 2.123 63 D HA -0.205 4.435 4.640 -0.000 0.000 0.200 63 D C 1.925 178.209 176.300 -0.027 0.000 0.976 63 D CA 1.136 55.112 54.000 -0.040 0.000 0.831 63 D CB 0.126 40.898 40.800 -0.048 0.000 0.974 63 D HN 0.358 nan 8.370 nan 0.000 0.469 64 E N 0.140 120.318 120.200 -0.037 0.000 2.267 64 E HA 0.001 4.351 4.350 -0.000 0.000 0.197 64 E C 1.472 178.065 176.600 -0.011 0.000 0.998 64 E CA 0.525 56.909 56.400 -0.026 0.000 0.830 64 E CB -0.212 29.465 29.700 -0.038 0.000 0.751 64 E HN 0.392 nan 8.360 nan 0.000 0.491 65 G N 1.748 110.546 108.800 -0.004 0.000 2.552 65 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.265 65 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.265 65 G C -0.333 174.588 174.900 0.035 0.000 1.234 65 G CA -0.055 45.072 45.100 0.045 0.000 0.944 65 G HN 0.365 nan 8.290 nan 0.000 0.568 66 N N 1.851 120.619 118.700 0.114 0.000 2.412 66 N HA 0.393 5.133 4.740 -0.000 0.000 0.258 66 N C 0.221 175.744 175.510 0.023 0.000 1.236 66 N CA 1.247 54.360 53.050 0.105 0.000 0.882 66 N CB 0.330 38.897 38.487 0.133 0.000 1.066 66 N HN 0.927 nan 8.380 nan 0.000 0.465 67 T N -1.483 113.063 114.554 -0.013 0.000 2.916 67 T HA 0.251 4.601 4.350 -0.000 0.000 0.305 67 T C -1.032 173.668 174.700 0.000 0.000 1.119 67 T CA -0.993 61.099 62.100 -0.013 0.000 1.008 67 T CB 2.276 71.121 68.868 -0.038 0.000 1.129 67 T HN 0.239 nan 8.240 nan 0.000 0.480 68 D N 0.969 121.377 120.400 0.015 0.000 2.443 68 D HA 0.271 4.911 4.640 -0.000 0.000 0.281 68 D C 0.445 176.762 176.300 0.028 0.000 1.210 68 D CA -0.448 53.568 54.000 0.028 0.000 0.875 68 D CB 0.718 41.542 40.800 0.039 0.000 1.125 68 D HN 0.497 nan 8.370 nan 0.000 0.503 69 E N 0.879 121.092 120.200 0.021 0.000 2.465 69 E HA 0.335 4.685 4.350 -0.000 0.000 0.191 69 E C 0.989 177.614 176.600 0.041 0.000 1.053 69 E CA 0.057 56.472 56.400 0.025 0.000 0.869 69 E CB 0.410 30.118 29.700 0.014 0.000 0.977 69 E HN 0.613 nan 8.360 nan 0.000 0.483 70 G N 0.894 109.728 108.800 0.057 0.000 2.629 70 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 70 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 70 G C 0.079 175.046 174.900 0.111 0.000 1.232 70 G CA -0.382 44.775 45.100 0.095 0.000 0.803 70 G HN 0.107 nan 8.290 nan 0.000 0.638 71 F N 0.789 120.766 119.950 0.044 0.000 2.091 71 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 71 F C 2.279 178.140 175.800 0.101 0.000 1.103 71 F CA 2.761 60.793 58.000 0.054 0.000 1.228 71 F CB 0.054 39.057 39.000 0.005 0.000 0.984 71 F HN 0.503 nan 8.300 nan 0.000 0.477 72 D N -0.699 119.763 120.400 0.103 0.000 2.117 72 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 72 D C 2.510 178.827 176.300 0.027 0.000 0.987 72 D CA 1.525 55.574 54.000 0.082 0.000 0.829 72 D CB -0.631 40.269 40.800 0.167 0.000 0.961 72 D HN 0.347 nan 8.370 nan 0.000 0.460 73 S N 0.127 115.837 115.700 0.017 0.000 2.355 73 S HA -0.101 4.369 4.470 -0.000 0.000 0.222 73 S C 2.068 176.645 174.600 -0.039 0.000 1.031 73 S CA 1.496 59.699 58.200 0.004 0.000 0.993 73 S CB -0.156 63.051 63.200 0.013 0.000 0.859 73 S HN 0.219 nan 8.310 nan 0.000 0.453 74 A N 0.585 123.360 122.820 -0.075 0.000 1.902 74 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 74 A C 2.011 179.524 177.584 -0.118 0.000 1.181 74 A CA 1.650 53.626 52.037 -0.100 0.000 0.623 74 A CB -1.156 17.786 19.000 -0.096 0.000 0.818 74 A HN 0.654 nan 8.150 nan 0.000 0.443 75 F N 0.854 120.569 119.950 -0.392 0.000 2.171 75 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 75 F C 1.815 177.600 175.800 -0.026 0.000 1.090 75 F CA 1.919 59.733 58.000 -0.310 0.000 1.293 75 F CB -0.463 38.149 39.000 -0.646 0.000 1.013 75 F HN 0.390 nan 8.300 nan 0.000 0.486 76 D N -0.251 120.137 120.400 -0.021 0.000 2.097 76 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 76 D C 2.184 178.376 176.300 -0.181 0.000 0.989 76 D CA 1.331 55.295 54.000 -0.060 0.000 0.827 76 D CB -0.183 40.619 40.800 0.002 0.000 0.966 76 D HN 0.259 nan 8.370 nan 0.000 0.456 77 L N 0.285 121.426 121.223 -0.137 0.000 2.017 77 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 77 L C 1.983 178.755 176.870 -0.163 0.000 1.073 77 L CA 1.433 56.202 54.840 -0.117 0.000 0.745 77 L CB -0.929 41.091 42.059 -0.064 0.000 0.894 77 L HN 0.211 nan 8.230 nan 0.000 0.432 78 L N 0.072 121.168 121.223 -0.212 0.000 2.079 78 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 78 L C 2.279 178.874 176.870 -0.458 0.000 1.081 78 L CA 2.074 56.770 54.840 -0.241 0.000 0.752 78 L CB -1.477 40.462 42.059 -0.200 0.000 0.896 78 L HN 0.315 nan 8.230 nan 0.000 0.433 79 G N -0.661 107.648 108.800 -0.817 0.000 2.418 79 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 79 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 79 G C 1.427 175.961 174.900 -0.611 0.000 1.158 79 G CA 0.814 45.160 45.100 -1.257 0.000 0.771 79 G HN 0.472 nan 8.290 nan 0.000 0.545 80 N N 0.461 118.876 118.700 -0.475 0.000 2.120 80 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 80 N C 2.341 177.708 175.510 -0.239 0.000 1.024 80 N CA 1.165 53.890 53.050 -0.543 0.000 0.852 80 N CB -0.655 37.340 38.487 -0.820 0.000 1.003 80 N HN 0.190 nan 8.380 nan 0.000 0.424 81 V N 0.724 120.667 119.914 0.048 0.000 2.407 81 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 81 V C 2.368 178.566 176.094 0.174 0.000 1.055 81 V CA 2.042 64.490 62.300 0.246 0.000 1.049 81 V CB -1.194 30.712 31.823 0.138 0.000 0.662 81 V HN 0.370 nan 8.190 nan 0.000 0.455 82 G N -0.635 108.183 108.800 0.030 0.000 2.403 82 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 82 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 82 G C 1.482 176.482 174.900 0.167 0.000 1.154 82 G CA 0.532 45.726 45.100 0.156 0.000 0.784 82 G HN 0.369 nan 8.290 nan 0.000 0.538 83 L N -0.338 120.843 121.223 -0.071 0.000 2.046 83 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 83 L C 2.458 179.442 176.870 0.190 0.000 1.077 83 L CA 1.185 55.940 54.840 -0.143 0.000 0.747 83 L CB -1.067 40.637 42.059 -0.591 0.000 0.896 83 L HN 0.406 nan 8.230 nan 0.000 0.432 84 Y N -0.382 119.898 120.300 -0.034 0.000 2.114 84 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 84 Y C 2.520 178.544 175.900 0.207 0.000 1.143 84 Y CA 1.864 60.086 58.100 0.205 0.000 1.135 84 Y CB -0.339 38.291 38.460 0.283 0.000 0.980 84 Y HN 0.121 nan 8.280 nan 0.000 0.499 85 M N -0.134 119.382 119.600 -0.140 0.000 2.159 85 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 85 M C 2.438 178.355 176.300 -0.638 0.000 1.063 85 M CA 1.606 56.603 55.300 -0.505 0.000 1.110 85 M CB -0.543 31.811 32.600 -0.410 0.000 1.374 85 M HN 0.466 nan 8.290 nan 0.000 0.411 86 A N 0.477 123.151 122.820 -0.243 0.000 1.933 86 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 86 A C 2.371 179.926 177.584 -0.050 0.000 1.175 86 A CA 1.906 53.933 52.037 -0.016 0.000 0.628 86 A CB -0.849 18.380 19.000 0.381 0.000 0.814 86 A HN 0.492 nan 8.150 nan 0.000 0.444 87 A N -0.752 122.148 122.820 0.134 0.000 1.858 87 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 87 A C 2.298 179.857 177.584 -0.041 0.000 1.190 87 A CA 1.665 53.807 52.037 0.175 0.000 0.617 87 A CB -1.429 17.843 19.000 0.452 0.000 0.827 87 A HN 0.618 nan 8.150 nan 0.000 0.443 88 C N -0.975 118.269 119.300 -0.093 0.000 2.403 88 C HA -0.116 4.344 4.460 -0.000 0.000 0.279 88 C C 2.811 177.706 174.990 -0.157 0.000 1.269 88 C CA 1.555 60.495 59.018 -0.131 0.000 1.774 88 C CB -1.355 26.194 27.740 -0.318 0.000 1.993 88 C HN 0.745 nan 8.230 nan 0.000 0.496 89 R N 1.359 121.714 120.500 -0.241 0.000 2.073 89 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 89 R C 2.428 178.595 176.300 -0.222 0.000 1.120 89 R CA 1.349 57.343 56.100 -0.177 0.000 0.967 89 R CB -0.758 29.483 30.300 -0.097 0.000 0.862 89 R HN 0.385 nan 8.270 nan 0.000 0.436 90 R N 0.114 120.380 120.500 -0.390 0.000 2.083 90 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 90 R C 0.900 176.856 176.300 -0.573 0.000 1.137 90 R CA 1.767 57.471 56.100 -0.660 0.000 0.951 90 R CB -0.608 28.913 30.300 -1.297 0.000 0.851 90 R HN 0.471 nan 8.270 nan 0.000 0.434 91 H N 1.432 120.378 119.070 -0.207 0.000 2.547 91 H HA 0.081 4.637 4.556 -0.000 0.000 0.274 91 H C 0.148 175.434 175.328 -0.071 0.000 1.024 91 H CA 0.511 56.504 56.048 -0.092 0.000 1.155 91 H CB 0.237 30.015 29.762 0.026 0.000 1.344 91 H HN 0.295 nan 8.280 nan 0.000 0.598 92 E N -0.778 119.397 120.200 -0.041 0.000 3.496 92 E HA -0.243 4.107 4.350 -0.000 0.000 0.300 92 E C 1.368 177.973 176.600 0.010 0.000 0.877 92 E CA 0.616 57.001 56.400 -0.025 0.000 1.050 92 E CB -1.985 27.705 29.700 -0.017 0.000 1.532 92 E HN 0.528 nan 8.360 nan 0.000 0.447 93 I N 0.141 120.726 120.570 0.025 0.000 2.567 93 I HA -0.108 4.062 4.170 -0.000 0.000 0.257 93 I C 1.320 177.435 176.117 -0.003 0.000 1.184 93 I CA 1.489 62.804 61.300 0.025 0.000 1.451 93 I CB 0.020 38.037 38.000 0.029 0.000 1.089 93 I HN 0.048 nan 8.210 nan 0.000 0.441 94 T N 0.428 114.967 114.554 -0.025 0.000 2.993 94 T HA 0.301 4.651 4.350 -0.000 0.000 0.312 94 T C -1.198 173.503 174.700 0.001 0.000 1.115 94 T CA -0.574 61.517 62.100 -0.015 0.000 1.027 94 T CB 1.695 70.537 68.868 -0.044 0.000 1.116 94 T HN 0.012 nan 8.240 nan 0.000 0.464 95 E N 4.995 125.210 120.200 0.024 0.000 2.274 95 E HA 0.318 4.668 4.350 -0.000 0.000 0.269 95 E C -2.171 174.457 176.600 0.046 0.000 0.891 95 E CA -2.181 54.237 56.400 0.029 0.000 0.784 95 E CB 2.610 32.315 29.700 0.009 0.000 1.225 95 E HN 0.401 nan 8.360 nan 0.000 0.412 96 P HA -0.197 nan 4.420 nan 0.000 0.213 96 P C 1.104 178.425 177.300 0.035 0.000 1.170 96 P CA 2.048 65.184 63.100 0.060 0.000 0.902 96 P CB -0.200 31.539 31.700 0.065 0.000 0.789 97 T N -3.365 111.204 114.554 0.024 0.000 3.155 97 T HA -0.033 4.317 4.350 -0.000 0.000 0.264 97 T C 1.859 176.568 174.700 0.015 0.000 1.160 97 T CA 0.469 62.579 62.100 0.016 0.000 1.075 97 T CB -0.584 68.290 68.868 0.010 0.000 0.921 97 T HN 0.186 nan 8.240 nan 0.000 0.533 98 R N 0.490 121.002 120.500 0.019 0.000 2.279 98 R HA 0.251 4.591 4.340 -0.000 0.000 0.195 98 R C 0.093 176.405 176.300 0.021 0.000 0.905 98 R CA 0.045 56.155 56.100 0.018 0.000 1.044 98 R CB 0.553 30.863 30.300 0.016 0.000 1.056 98 R HN 0.462 nan 8.270 nan 0.000 0.535 99 E N -1.208 119.008 120.200 0.027 0.000 2.281 99 E HA 0.145 4.495 4.350 -0.000 0.000 0.257 99 E C -0.226 176.391 176.600 0.029 0.000 0.971 99 E CA -0.443 55.975 56.400 0.031 0.000 0.839 99 E CB 1.837 31.561 29.700 0.041 0.000 1.238 99 E HN -0.133 nan 8.360 nan 0.000 0.412 100 T N -1.271 113.300 114.554 0.029 0.000 2.999 100 T HA 0.107 4.457 4.350 -0.000 0.000 0.247 100 T C 0.229 174.949 174.700 0.033 0.000 1.012 100 T CA 0.590 62.705 62.100 0.026 0.000 1.048 100 T CB 0.459 69.341 68.868 0.022 0.000 1.020 100 T HN 0.350 nan 8.240 nan 0.000 0.478 101 T N 0.229 114.808 114.554 0.042 0.000 2.868 101 T HA 0.526 4.876 4.350 -0.000 0.000 0.306 101 T C -1.120 173.618 174.700 0.064 0.000 1.224 101 T CA -0.465 61.667 62.100 0.055 0.000 1.012 101 T CB 1.691 70.588 68.868 0.049 0.000 1.221 101 T HN 0.091 nan 8.240 nan 0.000 0.499 102 S N 2.414 118.164 115.700 0.084 0.000 2.549 102 S HA 0.285 4.755 4.470 -0.000 0.000 0.286 102 S C -1.217 173.421 174.600 0.063 0.000 1.314 102 S CA -0.995 57.257 58.200 0.087 0.000 1.062 102 S CB 0.687 63.959 63.200 0.119 0.000 0.865 102 S HN 0.623 nan 8.310 nan 0.000 0.498 103 P HA 0.102 nan 4.420 nan 0.000 0.240 103 P C -0.098 177.227 177.300 0.042 0.000 1.190 103 P CA 0.436 63.561 63.100 0.040 0.000 0.781 103 P CB -0.008 31.712 31.700 0.033 0.000 0.931 104 L N 0.832 122.083 121.223 0.046 0.000 2.389 104 L HA 0.225 4.565 4.340 -0.000 0.000 0.265 104 L C 1.897 178.806 176.870 0.064 0.000 1.167 104 L CA -0.522 54.353 54.840 0.059 0.000 1.045 104 L CB -0.046 42.045 42.059 0.053 0.000 1.351 104 L HN -0.168 nan 8.230 nan 0.000 0.419 105 L N 0.386 121.637 121.223 0.048 0.000 1.970 105 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 105 L C 2.203 179.093 176.870 0.032 0.000 1.071 105 L CA 1.492 56.356 54.840 0.039 0.000 0.751 105 L CB -0.238 41.837 42.059 0.026 0.000 0.889 105 L HN 0.530 nan 8.230 nan 0.000 0.432 106 E N 0.582 120.789 120.200 0.012 0.000 2.038 106 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 106 E C 2.281 178.878 176.600 -0.005 0.000 1.000 106 E CA 1.525 57.915 56.400 -0.017 0.000 0.803 106 E CB -0.463 29.196 29.700 -0.069 0.000 0.750 106 E HN 0.450 nan 8.360 nan 0.000 0.448 107 A N 0.428 123.266 122.820 0.029 0.000 1.908 107 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 107 A C 2.368 180.001 177.584 0.082 0.000 1.181 107 A CA 1.995 54.076 52.037 0.073 0.000 0.627 107 A CB -0.779 18.356 19.000 0.226 0.000 0.818 107 A HN 0.190 nan 8.150 nan 0.000 0.445 108 S N -0.562 115.191 115.700 0.088 0.000 2.348 108 S HA -0.047 4.423 4.470 -0.000 0.000 0.221 108 S C 2.367 177.016 174.600 0.081 0.000 1.033 108 S CA 1.293 59.553 58.200 0.099 0.000 1.010 108 S CB -0.505 62.758 63.200 0.105 0.000 0.891 108 S HN 0.820 nan 8.310 nan 0.000 0.442 109 A N 1.220 124.079 122.820 0.066 0.000 1.883 109 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 109 A C 2.134 179.773 177.584 0.091 0.000 1.186 109 A CA 1.631 53.709 52.037 0.069 0.000 0.624 109 A CB -0.862 18.169 19.000 0.052 0.000 0.822 109 A HN 0.432 nan 8.150 nan 0.000 0.444 110 L N -0.271 120.985 121.223 0.054 0.000 2.017 110 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 110 L C 2.741 179.634 176.870 0.038 0.000 1.073 110 L CA 2.328 57.185 54.840 0.028 0.000 0.745 110 L CB -0.868 41.167 42.059 -0.039 0.000 0.894 110 L HN 0.364 nan 8.230 nan 0.000 0.432 111 A N -0.789 122.055 122.820 0.041 0.000 1.883 111 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 111 A C 2.291 179.892 177.584 0.029 0.000 1.186 111 A CA 2.287 54.340 52.037 0.027 0.000 0.624 111 A CB -0.609 18.418 19.000 0.044 0.000 0.822 111 A HN 0.544 nan 8.150 nan 0.000 0.444 112 M N -1.719 117.913 119.600 0.054 0.000 2.229 112 M HA -0.120 4.359 4.480 -0.000 0.000 0.264 112 M C 2.250 178.617 176.300 0.112 0.000 1.063 112 M CA 1.515 56.849 55.300 0.058 0.000 1.114 112 M CB -0.422 32.221 32.600 0.072 0.000 1.387 112 M HN 0.650 nan 8.290 nan 0.000 0.420 113 H N 1.199 120.275 119.070 0.009 0.000 2.299 113 H HA -0.040 4.516 4.556 -0.000 0.000 0.302 113 H C 1.796 177.132 175.328 0.014 0.000 1.078 113 H CA 1.856 57.911 56.048 0.012 0.000 1.323 113 H CB -0.336 29.429 29.762 0.005 0.000 1.381 113 H HN 0.309 nan 8.280 nan 0.000 0.498 114 I N 0.066 120.712 120.570 0.126 0.000 2.142 114 I HA -0.189 3.981 4.170 -0.000 0.000 0.240 114 I C 2.924 179.094 176.117 0.087 0.000 1.078 114 I CA 1.284 62.605 61.300 0.035 0.000 1.343 114 I CB -0.868 37.104 38.000 -0.047 0.000 1.046 114 I HN 0.333 nan 8.210 nan 0.000 0.405 115 G N 0.681 109.521 108.800 0.066 0.000 2.513 115 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 115 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 115 G C 1.815 176.772 174.900 0.095 0.000 1.160 115 G CA 1.065 46.206 45.100 0.068 0.000 0.767 115 G HN 0.524 nan 8.290 nan 0.000 0.571 116 A N 0.806 123.682 122.820 0.094 0.000 2.015 116 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 116 A C 2.679 180.328 177.584 0.108 0.000 1.163 116 A CA 2.306 54.398 52.037 0.092 0.000 0.646 116 A CB -0.526 18.518 19.000 0.074 0.000 0.806 116 A HN 0.799 nan 8.150 nan 0.000 0.448 117 S N 0.099 115.886 115.700 0.144 0.000 2.461 117 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 117 S C 1.452 176.141 174.600 0.148 0.000 1.005 117 S CA 1.005 59.295 58.200 0.150 0.000 0.942 117 S CB -0.535 62.786 63.200 0.201 0.000 0.776 117 S HN 0.887 nan 8.310 nan 0.000 0.514 118 I N -3.559 117.115 120.570 0.173 0.000 4.240 118 I HA 0.567 4.737 4.170 -0.000 0.000 0.331 118 I C 1.012 177.280 176.117 0.252 0.000 1.381 118 I CA -0.085 61.371 61.300 0.261 0.000 1.136 118 I CB -0.012 38.194 38.000 0.343 0.000 1.137 118 I HN 0.287 nan 8.210 nan 0.000 0.411 119 G N 2.725 111.624 108.800 0.164 0.000 2.256 119 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.272 119 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.272 119 G C -0.120 174.864 174.900 0.139 0.000 1.076 119 G CA 0.217 45.390 45.100 0.122 0.000 0.882 119 G HN 0.843 nan 8.290 nan 0.000 0.497 120 V N -3.841 116.165 119.914 0.153 0.000 3.160 120 V HA 0.908 5.028 4.120 -0.000 0.000 0.310 120 V C 0.600 176.716 176.094 0.036 0.000 1.181 120 V CA -0.408 61.976 62.300 0.141 0.000 1.047 120 V CB 1.484 33.476 31.823 0.282 0.000 1.068 120 V HN 0.825 nan 8.190 nan 0.000 0.441 121 T N 2.685 117.189 114.554 -0.083 0.000 2.930 121 T HA 0.295 4.645 4.350 -0.000 0.000 0.306 121 T C -1.639 172.900 174.700 -0.269 0.000 1.045 121 T CA -0.670 61.267 62.100 -0.272 0.000 1.134 121 T CB 0.793 69.247 68.868 -0.690 0.000 0.961 121 T HN 0.869 nan 8.240 nan 0.000 0.545 122 P HA 0.121 nan 4.420 nan 0.000 0.269 122 P C -0.367 176.789 177.300 -0.241 0.000 1.601 122 P CA 0.053 62.982 63.100 -0.286 0.000 0.831 122 P CB -0.412 31.093 31.700 -0.325 0.000 1.688 123 R N -1.827 118.547 120.500 -0.210 0.000 2.870 123 R HA 0.520 4.860 4.340 -0.000 0.000 0.262 123 R C -0.737 175.603 176.300 0.066 0.000 1.112 123 R CA -1.099 54.981 56.100 -0.034 0.000 0.976 123 R CB 0.015 30.232 30.300 -0.138 0.000 1.261 123 R HN -0.194 nan 8.270 nan 0.000 0.453 124 F N 1.503 121.494 119.950 0.068 0.000 2.571 124 F HA 0.554 5.081 4.527 -0.000 0.000 0.384 124 F C -0.723 175.219 175.800 0.237 0.000 1.058 124 F CA -0.401 57.669 58.000 0.117 0.000 1.200 124 F CB 0.393 39.489 39.000 0.160 0.000 1.077 124 F HN 0.705 nan 8.300 nan 0.000 0.558 125 A N 4.705 127.708 122.820 0.305 0.000 2.354 125 A HA 0.494 4.814 4.320 -0.000 0.000 0.321 125 A C 1.031 178.645 177.584 0.051 0.000 1.125 125 A CA -0.083 51.939 52.037 -0.025 0.000 0.799 125 A CB 0.809 19.826 19.000 0.029 0.000 1.293 125 A HN 0.844 nan 8.150 nan 0.000 0.452 126 T N 1.340 115.938 114.554 0.074 0.000 2.685 126 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 126 T C 2.102 176.948 174.700 0.242 0.000 1.034 126 T CA 2.421 64.643 62.100 0.204 0.000 1.149 126 T CB -0.434 68.544 68.868 0.185 0.000 0.860 126 T HN 0.957 nan 8.240 nan 0.000 0.449 127 A N 0.888 123.821 122.820 0.188 0.000 1.978 127 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 127 A C 1.855 179.615 177.584 0.292 0.000 1.170 127 A CA 1.834 54.005 52.037 0.224 0.000 0.636 127 A CB -0.933 18.156 19.000 0.148 0.000 0.810 127 A HN 0.706 nan 8.150 nan 0.000 0.448 128 H N -0.956 118.314 119.070 0.332 0.000 2.422 128 H HA -0.007 4.549 4.556 -0.000 0.000 0.298 128 H C 1.600 177.026 175.328 0.164 0.000 1.098 128 H CA 1.557 57.727 56.048 0.203 0.000 1.315 128 H CB -0.024 29.820 29.762 0.137 0.000 1.382 128 H HN 0.400 nan 8.280 nan 0.000 0.523 129 L N -0.551 120.887 121.223 0.359 0.000 2.609 129 L HA 0.061 4.401 4.340 -0.000 0.000 0.230 129 L C 1.927 178.892 176.870 0.158 0.000 1.087 129 L CA 0.550 55.528 54.840 0.229 0.000 0.874 129 L CB 0.238 42.471 42.059 0.289 0.000 1.114 129 L HN 0.408 nan 8.230 nan 0.000 0.488 130 T N -4.292 110.353 114.554 0.151 0.000 3.555 130 T HA -0.076 4.274 4.350 -0.000 0.000 0.201 130 T C 1.741 176.432 174.700 -0.015 0.000 0.850 130 T CA 0.911 63.033 62.100 0.035 0.000 1.646 130 T CB -0.725 68.154 68.868 0.018 0.000 1.774 130 T HN 0.138 nan 8.240 nan 0.000 0.447 131 T N -0.423 114.151 114.554 0.033 0.000 2.962 131 T HA -0.042 4.308 4.350 -0.000 0.000 0.270 131 T C 0.917 175.519 174.700 -0.164 0.000 1.088 131 T CA 1.221 63.301 62.100 -0.033 0.000 1.127 131 T CB -0.598 68.299 68.868 0.049 0.000 0.883 131 T HN 0.640 nan 8.240 nan 0.000 0.493 132 H N 0.578 119.683 119.070 0.059 0.000 2.492 132 H HA 0.438 4.994 4.556 -0.000 0.000 0.264 132 H C -0.281 175.112 175.328 0.108 0.000 1.150 132 H CA -0.878 55.234 56.048 0.108 0.000 0.962 132 H CB -0.091 29.795 29.762 0.208 0.000 1.766 132 H HN 0.184 nan 8.280 nan 0.000 0.589 133 N N 1.859 120.608 118.700 0.083 0.000 2.558 133 N HA 0.047 4.787 4.740 -0.000 0.000 0.233 133 N C -0.365 175.151 175.510 0.010 0.000 1.038 133 N CA -0.478 52.604 53.050 0.055 0.000 0.934 133 N CB 0.384 38.892 38.487 0.036 0.000 1.175 133 N HN 0.351 nan 8.380 nan 0.000 0.512 134 R N 2.339 122.857 120.500 0.031 0.000 2.489 134 R HA 0.357 4.697 4.340 -0.000 0.000 0.287 134 R C -0.497 175.836 176.300 0.055 0.000 1.053 134 R CA -0.319 55.808 56.100 0.046 0.000 1.036 134 R CB 0.347 30.702 30.300 0.092 0.000 0.966 134 R HN 0.450 nan 8.270 nan 0.000 0.432 135 A N 4.667 127.560 122.820 0.122 0.000 2.310 135 A HA 0.302 4.622 4.320 -0.000 0.000 0.299 135 A C -0.988 176.765 177.584 0.282 0.000 1.147 135 A CA -0.530 51.615 52.037 0.181 0.000 0.818 135 A CB 0.497 19.629 19.000 0.220 0.000 1.096 135 A HN 0.957 nan 8.150 nan 0.000 0.495 136 H N 2.094 121.185 119.070 0.036 0.000 2.587 136 H HA 0.231 4.787 4.556 -0.000 0.000 0.325 136 H C -0.093 175.239 175.328 0.007 0.000 1.012 136 H CA -0.778 55.276 56.048 0.010 0.000 1.213 136 H CB 0.803 30.560 29.762 -0.008 0.000 1.431 136 H HN 0.914 nan 8.280 nan 0.000 0.492 137 N N 2.898 121.664 118.700 0.110 0.000 2.716 137 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 137 N C 1.081 176.625 175.510 0.057 0.000 1.033 137 N CA 1.225 54.310 53.050 0.059 0.000 0.727 137 N CB -0.829 37.683 38.487 0.041 0.000 0.950 137 N HN 1.224 nan 8.380 nan 0.000 0.541 138 G N -1.616 107.232 108.800 0.079 0.000 2.268 138 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.240 138 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.240 138 G C 0.064 175.013 174.900 0.081 0.000 1.010 138 G CA 0.467 45.615 45.100 0.081 0.000 0.618 138 G HN 0.401 nan 8.290 nan 0.000 0.516 139 I N 1.676 122.261 120.570 0.026 0.000 2.377 139 I HA 0.649 4.819 4.170 -0.000 0.000 0.293 139 I C 0.234 176.300 176.117 -0.085 0.000 0.987 139 I CA -1.600 59.627 61.300 -0.121 0.000 1.185 139 I CB 1.139 39.053 38.000 -0.144 0.000 1.341 139 I HN 0.300 nan 8.210 nan 0.000 0.455 140 Y N 2.250 122.496 120.300 -0.090 0.000 2.587 140 Y HA 0.688 5.238 4.550 -0.000 0.000 0.337 140 Y C -0.088 175.712 175.900 -0.166 0.000 1.065 140 Y CA -1.754 56.267 58.100 -0.132 0.000 1.126 140 Y CB 0.491 38.899 38.460 -0.087 0.000 1.279 140 Y HN 0.307 nan 8.280 nan 0.000 0.489 141 K N 2.382 122.732 120.400 -0.083 0.000 2.586 141 K HA 0.084 4.404 4.320 -0.000 0.000 0.280 141 K C -0.389 176.082 176.600 -0.214 0.000 0.972 141 K CA 0.486 56.647 56.287 -0.209 0.000 1.040 141 K CB 0.167 32.516 32.500 -0.253 0.000 0.870 141 K HN 0.922 nan 8.250 nan 0.000 0.497 142 R N 0.788 121.104 120.500 -0.306 0.000 2.712 142 R HA 0.208 4.548 4.340 -0.000 0.000 0.272 142 R C -0.494 175.592 176.300 -0.358 0.000 1.032 142 R CA -0.943 54.974 56.100 -0.306 0.000 0.874 142 R CB 0.064 30.237 30.300 -0.212 0.000 1.256 142 R HN 0.299 nan 8.270 nan 0.000 0.468 143 F N 0.543 120.333 119.950 -0.268 0.000 2.270 143 F HA 0.073 4.600 4.527 -0.000 0.000 0.295 143 F C 1.479 176.986 175.800 -0.487 0.000 1.087 143 F CA 1.556 59.249 58.000 -0.513 0.000 1.365 143 F CB 0.377 38.721 39.000 -1.093 0.000 1.056 143 F HN 0.792 nan 8.300 nan 0.000 0.506 144 T N -3.390 111.085 114.554 -0.132 0.000 2.716 144 T HA 0.319 4.669 4.350 -0.000 0.000 0.286 144 T C -0.166 174.480 174.700 -0.091 0.000 1.052 144 T CA -0.355 61.680 62.100 -0.109 0.000 1.024 144 T CB 1.788 70.636 68.868 -0.034 0.000 1.349 144 T HN 0.037 nan 8.240 nan 0.000 0.525 145 D N -0.123 120.231 120.400 -0.077 0.000 2.363 145 D HA 0.179 4.819 4.640 -0.000 0.000 0.214 145 D C 0.474 176.749 176.300 -0.042 0.000 1.093 145 D CA -0.413 53.542 54.000 -0.075 0.000 0.837 145 D CB -0.577 40.176 40.800 -0.079 0.000 0.948 145 D HN 0.510 nan 8.370 nan 0.000 0.507 146 L N 0.800 122.012 121.223 -0.019 0.000 2.490 146 L HA 0.118 4.458 4.340 -0.000 0.000 0.274 146 L C -1.122 175.765 176.870 0.029 0.000 1.201 146 L CA -1.136 53.704 54.840 0.001 0.000 0.869 146 L CB 0.587 42.651 42.059 0.009 0.000 1.123 146 L HN -0.189 nan 8.230 nan 0.000 0.484 147 P HA -0.131 nan 4.420 nan 0.000 0.218 147 P C 0.713 178.077 177.300 0.108 0.000 1.149 147 P CA 1.002 64.138 63.100 0.059 0.000 0.817 147 P CB 0.191 31.921 31.700 0.050 0.000 0.785 148 D N -0.732 119.735 120.400 0.112 0.000 2.219 148 D HA -0.148 4.492 4.640 -0.000 0.000 0.205 148 D C 1.854 178.302 176.300 0.247 0.000 0.970 148 D CA 0.836 54.938 54.000 0.170 0.000 0.851 148 D CB -0.041 40.847 40.800 0.148 0.000 0.943 148 D HN 0.373 nan 8.370 nan 0.000 0.488 149 E N 1.397 121.727 120.200 0.216 0.000 2.046 149 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 149 E C 2.045 178.842 176.600 0.327 0.000 0.982 149 E CA 0.624 57.203 56.400 0.298 0.000 0.800 149 E CB 0.152 29.981 29.700 0.216 0.000 0.756 149 E HN 0.041 nan 8.360 nan 0.000 0.449 150 K N 0.580 121.108 120.400 0.214 0.000 2.103 150 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 150 K C 2.248 178.985 176.600 0.228 0.000 1.048 150 K CA 1.133 57.539 56.287 0.198 0.000 0.930 150 K CB -0.103 32.462 32.500 0.108 0.000 0.716 150 K HN 0.185 nan 8.250 nan 0.000 0.444 151 L N 0.045 121.424 121.223 0.259 0.000 2.027 151 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 151 L C 2.431 179.556 176.870 0.425 0.000 1.074 151 L CA 1.082 56.120 54.840 0.330 0.000 0.745 151 L CB -0.462 41.799 42.059 0.336 0.000 0.898 151 L HN 0.215 nan 8.230 nan 0.000 0.433 152 F N 0.346 120.443 119.950 0.246 0.000 2.075 152 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 152 F C 2.271 178.210 175.800 0.231 0.000 1.113 152 F CA 1.717 59.854 58.000 0.229 0.000 1.218 152 F CB -0.459 38.713 39.000 0.287 0.000 0.984 152 F HN -0.251 nan 8.300 nan 0.000 0.472 153 V N 0.511 120.573 119.914 0.248 0.000 2.295 153 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 153 V C 2.174 178.274 176.094 0.009 0.000 1.049 153 V CA 2.209 64.576 62.300 0.112 0.000 1.024 153 V CB -0.815 31.174 31.823 0.277 0.000 0.648 153 V HN 0.251 nan 8.190 nan 0.000 0.447 154 D N -0.807 119.605 120.400 0.021 0.000 2.123 154 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 154 D C 2.026 178.194 176.300 -0.221 0.000 0.992 154 D CA 1.614 55.528 54.000 -0.144 0.000 0.833 154 D CB -0.329 40.341 40.800 -0.216 0.000 0.954 154 D HN 0.547 nan 8.370 nan 0.000 0.455 155 Y N 0.895 121.186 120.300 -0.015 0.000 2.457 155 Y HA 0.038 4.588 4.550 -0.000 0.000 0.292 155 Y C 2.058 177.906 175.900 -0.087 0.000 1.125 155 Y CA 0.527 58.608 58.100 -0.031 0.000 1.254 155 Y CB -0.450 38.016 38.460 0.010 0.000 1.012 155 Y HN 0.057 nan 8.280 nan 0.000 0.555 156 N N -1.034 117.635 118.700 -0.051 0.000 2.171 156 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 156 N C 1.556 176.997 175.510 -0.114 0.000 1.021 156 N CA 1.531 54.498 53.050 -0.138 0.000 0.854 156 N CB -0.078 38.230 38.487 -0.299 0.000 0.994 156 N HN 0.216 nan 8.380 nan 0.000 0.426 157 T N 1.338 115.823 114.554 -0.115 0.000 2.708 157 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 157 T C 1.729 176.360 174.700 -0.115 0.000 1.037 157 T CA 1.178 63.200 62.100 -0.130 0.000 1.146 157 T CB -0.128 68.648 68.868 -0.153 0.000 0.865 157 T HN 0.205 nan 8.240 nan 0.000 0.435 158 K N 0.521 120.867 120.400 -0.089 0.000 2.057 158 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 158 K C 2.614 179.199 176.600 -0.025 0.000 1.049 158 K CA 1.237 57.493 56.287 -0.053 0.000 0.931 158 K CB -0.529 31.961 32.500 -0.017 0.000 0.714 158 K HN 0.379 nan 8.250 nan 0.000 0.440 159 G N 1.368 110.170 108.800 0.003 0.000 2.433 159 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 159 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 159 G C 1.518 176.437 174.900 0.031 0.000 1.186 159 G CA 0.811 45.922 45.100 0.019 0.000 0.779 159 G HN 0.136 nan 8.290 nan 0.000 0.543 160 I N 0.490 120.999 120.570 -0.101 0.000 2.163 160 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 160 I C 2.727 178.755 176.117 -0.149 0.000 1.085 160 I CA 0.839 61.918 61.300 -0.368 0.000 1.347 160 I CB -0.239 37.377 38.000 -0.641 0.000 1.044 160 I HN 0.117 nan 8.210 nan 0.000 0.408 161 L N 0.359 121.522 121.223 -0.100 0.000 2.131 161 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 161 L C 2.776 179.653 176.870 0.012 0.000 1.092 161 L CA 1.156 55.974 54.840 -0.038 0.000 0.759 161 L CB -0.705 41.320 42.059 -0.057 0.000 0.903 161 L HN 0.271 nan 8.230 nan 0.000 0.435 162 A N -0.958 121.860 122.820 -0.003 0.000 1.929 162 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 162 A C 1.985 179.584 177.584 0.026 0.000 1.176 162 A CA 1.112 53.132 52.037 -0.028 0.000 0.628 162 A CB -0.622 18.315 19.000 -0.106 0.000 0.816 162 A HN 0.321 nan 8.150 nan 0.000 0.444 163 Y N 0.468 120.833 120.300 0.108 0.000 2.293 163 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 163 Y C 2.332 178.345 175.900 0.189 0.000 1.137 163 Y CA 1.490 59.709 58.100 0.199 0.000 1.202 163 Y CB -0.053 38.656 38.460 0.416 0.000 0.990 163 Y HN 0.263 nan 8.280 nan 0.000 0.537 164 K N -0.267 120.329 120.400 0.327 0.000 2.097 164 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 164 K C 2.127 178.807 176.600 0.133 0.000 1.050 164 K CA 1.041 57.462 56.287 0.223 0.000 0.938 164 K CB -0.131 32.464 32.500 0.158 0.000 0.718 164 K HN 0.298 nan 8.250 nan 0.000 0.442 165 R N 0.404 120.964 120.500 0.099 0.000 2.092 165 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 165 R C 2.360 178.696 176.300 0.060 0.000 1.119 165 R CA 1.196 57.330 56.100 0.056 0.000 0.970 165 R CB -0.274 30.043 30.300 0.028 0.000 0.864 165 R HN 0.160 nan 8.270 nan 0.000 0.440 166 A N 1.077 123.948 122.820 0.085 0.000 1.898 166 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 166 A C 2.244 179.871 177.584 0.072 0.000 1.181 166 A CA 1.778 53.861 52.037 0.075 0.000 0.620 166 A CB -0.432 18.629 19.000 0.102 0.000 0.819 166 A HN 0.424 nan 8.150 nan 0.000 0.442 167 S N 0.072 115.832 115.700 0.099 0.000 2.406 167 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 167 S C 1.368 175.992 174.600 0.041 0.000 1.020 167 S CA 1.323 59.559 58.200 0.059 0.000 0.965 167 S CB -0.450 62.789 63.200 0.064 0.000 0.798 167 S HN 0.461 nan 8.310 nan 0.000 0.488 168 D N 2.462 122.891 120.400 0.048 0.000 2.144 168 D HA 0.109 4.749 4.640 -0.000 0.000 0.200 168 D C 2.260 178.570 176.300 0.017 0.000 0.978 168 D CA 1.398 55.415 54.000 0.029 0.000 0.833 168 D CB -0.653 40.165 40.800 0.031 0.000 0.961 168 D HN 0.539 nan 8.370 nan 0.000 0.470 169 A N 0.435 123.267 122.820 0.020 0.000 1.898 169 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 169 A C 2.086 179.676 177.584 0.011 0.000 1.181 169 A CA 0.874 52.919 52.037 0.012 0.000 0.620 169 A CB -0.626 18.383 19.000 0.015 0.000 0.819 169 A HN 0.149 nan 8.150 nan 0.000 0.442 170 L N -0.304 120.930 121.223 0.018 0.000 2.083 170 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 170 L C 2.394 179.266 176.870 0.003 0.000 1.083 170 L CA 1.418 56.270 54.840 0.020 0.000 0.752 170 L CB -0.740 41.332 42.059 0.022 0.000 0.899 170 L HN 0.381 nan 8.230 nan 0.000 0.433 171 L N -1.134 120.088 121.223 -0.002 0.000 2.201 171 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 171 L C 2.133 178.988 176.870 -0.025 0.000 1.105 171 L CA 0.923 55.755 54.840 -0.013 0.000 0.775 171 L CB -0.433 41.621 42.059 -0.008 0.000 0.913 171 L HN 0.232 nan 8.230 nan 0.000 0.440 172 K N -0.045 120.340 120.400 -0.025 0.000 2.486 172 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 172 K C 1.839 178.400 176.600 -0.065 0.000 1.033 172 K CA 0.622 56.883 56.287 -0.043 0.000 1.004 172 K CB 0.172 32.649 32.500 -0.037 0.000 0.798 172 K HN 0.339 nan 8.250 nan 0.000 0.495 173 I N 1.042 121.581 120.570 -0.053 0.000 2.584 173 I HA -0.211 3.959 4.170 -0.000 0.000 0.255 173 I C 2.207 178.270 176.117 -0.090 0.000 1.145 173 I CA 0.587 61.845 61.300 -0.069 0.000 1.462 173 I CB -0.086 37.892 38.000 -0.037 0.000 1.102 173 I HN 0.135 nan 8.210 nan 0.000 0.433 174 Q N 1.206 120.962 119.800 -0.073 0.000 2.082 174 Q HA -0.216 4.124 4.340 -0.000 0.000 0.211 174 Q C -0.221 175.728 176.000 -0.086 0.000 1.002 174 Q CA 1.961 57.719 55.803 -0.076 0.000 0.868 174 Q CB -1.953 26.752 28.738 -0.055 0.000 0.931 174 Q HN 0.471 nan 8.270 nan 0.000 0.414 175 P HA -0.039 nan 4.420 nan 0.000 0.229 175 P C 1.373 178.606 177.300 -0.113 0.000 1.160 175 P CA 0.933 63.981 63.100 -0.088 0.000 0.777 175 P CB -0.025 31.628 31.700 -0.079 0.000 0.814 176 L N -1.555 119.576 121.223 -0.154 0.000 2.298 176 L HA 0.291 4.631 4.340 -0.000 0.000 0.209 176 L C 1.185 177.989 176.870 -0.110 0.000 1.084 176 L CA 0.668 55.381 54.840 -0.213 0.000 0.816 176 L CB -0.918 40.890 42.059 -0.419 0.000 0.967 176 L HN 0.082 nan 8.230 nan 0.000 0.460 177 G N 0.634 109.355 108.800 -0.132 0.000 2.690 177 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 177 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 177 G C 0.327 175.099 174.900 -0.212 0.000 1.277 177 G CA -0.180 44.814 45.100 -0.177 0.000 0.799 177 G HN 0.304 nan 8.290 nan 0.000 0.613 178 I N -1.002 119.363 120.570 -0.343 0.000 2.830 178 I HA 0.072 4.242 4.170 -0.000 0.000 0.263 178 I C 2.183 178.106 176.117 -0.323 0.000 1.230 178 I CA 1.800 62.866 61.300 -0.391 0.000 1.480 178 I CB -0.234 37.226 38.000 -0.899 0.000 1.095 178 I HN 0.719 nan 8.210 nan 0.000 0.455 179 S N -0.909 114.391 115.700 -0.667 0.000 2.575 179 S HA -0.000 4.470 4.470 -0.000 0.000 0.215 179 S C 0.747 175.053 174.600 -0.490 0.000 0.966 179 S CA -0.290 57.217 58.200 -1.156 0.000 0.911 179 S CB -0.858 61.002 63.200 -2.233 0.000 0.780 179 S HN 0.655 nan 8.310 nan 0.000 0.514 180 H N 3.520 122.411 119.070 -0.299 0.000 2.764 180 H HA 0.234 4.790 4.556 -0.000 0.000 0.341 180 H C -1.266 174.049 175.328 -0.023 0.000 1.072 180 H CA -1.170 54.788 56.048 -0.149 0.000 1.444 180 H CB 1.099 30.791 29.762 -0.116 0.000 1.458 180 H HN 0.017 nan 8.280 nan 0.000 0.572 181 P HA -0.200 nan 4.420 nan 0.000 0.217 181 P C 1.341 178.799 177.300 0.263 0.000 1.150 181 P CA 1.072 64.243 63.100 0.118 0.000 0.832 181 P CB 0.377 32.075 31.700 -0.003 0.000 0.787 182 I N 0.217 121.064 120.570 0.461 0.000 2.454 182 I HA -0.121 4.049 4.170 -0.000 0.000 0.254 182 I C 2.064 178.278 176.117 0.162 0.000 1.156 182 I CA 1.281 62.737 61.300 0.259 0.000 1.433 182 I CB -1.648 36.434 38.000 0.137 0.000 1.082 182 I HN -0.036 nan 8.210 nan 0.000 0.432 183 S N -0.631 115.175 115.700 0.175 0.000 2.474 183 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 183 S C 1.924 176.613 174.600 0.149 0.000 0.997 183 S CA 0.585 58.849 58.200 0.108 0.000 0.949 183 S CB -0.522 62.731 63.200 0.089 0.000 0.766 183 S HN 0.511 nan 8.310 nan 0.000 0.517 184 H N 1.486 120.628 119.070 0.119 0.000 2.436 184 H HA -0.021 4.535 4.556 -0.000 0.000 0.294 184 H C 1.060 176.439 175.328 0.085 0.000 1.048 184 H CA 1.246 57.364 56.048 0.116 0.000 1.353 184 H CB 0.084 29.917 29.762 0.118 0.000 1.414 184 H HN 0.326 nan 8.280 nan 0.000 0.536 185 D N 0.689 121.172 120.400 0.139 0.000 2.123 185 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 185 D C 2.535 178.845 176.300 0.016 0.000 0.976 185 D CA 0.361 54.407 54.000 0.077 0.000 0.831 185 D CB -0.050 40.808 40.800 0.097 0.000 0.974 185 D HN 0.367 nan 8.370 nan 0.000 0.469 186 L N 0.308 121.545 121.223 0.023 0.000 2.093 186 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 186 L C 2.310 179.182 176.870 0.003 0.000 1.085 186 L CA 0.339 55.185 54.840 0.011 0.000 0.755 186 L CB -0.184 41.881 42.059 0.009 0.000 0.904 186 L HN 0.034 nan 8.230 nan 0.000 0.435 187 L N -0.169 121.051 121.223 -0.006 0.000 2.141 187 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 187 L C 2.635 179.470 176.870 -0.059 0.000 1.094 187 L CA 1.623 56.458 54.840 -0.009 0.000 0.763 187 L CB -0.723 41.332 42.059 -0.008 0.000 0.908 187 L HN 0.155 nan 8.230 nan 0.000 0.437 188 R N -1.672 118.767 120.500 -0.101 0.000 2.127 188 R HA -0.036 4.304 4.340 -0.000 0.000 0.217 188 R C 2.119 178.397 176.300 -0.036 0.000 1.074 188 R CA 0.763 56.811 56.100 -0.087 0.000 0.991 188 R CB 0.016 30.259 30.300 -0.095 0.000 0.895 188 R HN 0.171 nan 8.270 nan 0.000 0.450 189 V N 0.293 120.196 119.914 -0.020 0.000 2.407 189 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 189 V C 1.987 178.077 176.094 -0.006 0.000 1.055 189 V CA 2.259 64.555 62.300 -0.007 0.000 1.049 189 V CB -0.400 31.424 31.823 0.002 0.000 0.662 189 V HN 0.450 nan 8.190 nan 0.000 0.455 190 T N -0.412 114.140 114.554 -0.004 0.000 2.746 190 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 190 T C 1.955 176.649 174.700 -0.010 0.000 1.039 190 T CA 1.858 63.959 62.100 0.002 0.000 1.142 190 T CB -0.201 68.675 68.868 0.013 0.000 0.866 190 T HN 0.468 nan 8.240 nan 0.000 0.444 191 K N 0.670 121.057 120.400 -0.021 0.000 2.032 191 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 191 K C 2.490 179.074 176.600 -0.028 0.000 1.048 191 K CA 1.669 57.938 56.287 -0.029 0.000 0.927 191 K CB -0.143 32.333 32.500 -0.040 0.000 0.712 191 K HN 0.147 nan 8.250 nan 0.000 0.441 192 Q N 0.604 120.390 119.800 -0.024 0.000 2.084 192 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 192 Q C 1.753 177.735 176.000 -0.030 0.000 0.978 192 Q CA 2.121 57.911 55.803 -0.023 0.000 0.844 192 Q CB -0.439 28.290 28.738 -0.015 0.000 0.898 192 Q HN 0.410 nan 8.270 nan 0.000 0.426 193 A N -0.140 122.664 122.820 -0.028 0.000 1.902 193 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 193 A C 1.949 179.483 177.584 -0.083 0.000 1.181 193 A CA 1.467 53.480 52.037 -0.040 0.000 0.623 193 A CB -0.706 18.285 19.000 -0.015 0.000 0.818 193 A HN 0.432 nan 8.150 nan 0.000 0.443 194 L N -0.257 120.924 121.223 -0.070 0.000 2.093 194 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 194 L C 2.617 179.428 176.870 -0.098 0.000 1.085 194 L CA 1.882 56.662 54.840 -0.099 0.000 0.755 194 L CB -0.892 41.156 42.059 -0.019 0.000 0.904 194 L HN 0.482 nan 8.230 nan 0.000 0.435 195 Q N -0.919 118.844 119.800 -0.063 0.000 2.119 195 Q HA -0.195 4.145 4.340 -0.000 0.000 0.201 195 Q C 1.649 177.614 176.000 -0.058 0.000 0.972 195 Q CA 1.389 57.161 55.803 -0.052 0.000 0.847 195 Q CB -0.079 28.638 28.738 -0.035 0.000 0.903 195 Q HN 0.480 nan 8.270 nan 0.000 0.433 196 D N -0.138 120.224 120.400 -0.063 0.000 2.218 196 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 196 D C 1.845 178.101 176.300 -0.073 0.000 0.976 196 D CA 0.813 54.781 54.000 -0.053 0.000 0.853 196 D CB 0.073 40.844 40.800 -0.048 0.000 0.939 196 D HN 0.083 nan 8.370 nan 0.000 0.481 197 V N 1.353 121.180 119.914 -0.144 0.000 2.323 197 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 197 V C 2.496 178.532 176.094 -0.096 0.000 1.041 197 V CA 0.773 62.956 62.300 -0.195 0.000 1.025 197 V CB -0.121 31.420 31.823 -0.470 0.000 0.656 197 V HN 0.150 nan 8.190 nan 0.000 0.451 198 I N 0.489 121.010 120.570 -0.081 0.000 2.163 198 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 198 I C 2.635 178.730 176.117 -0.038 0.000 1.085 198 I CA 2.076 63.348 61.300 -0.046 0.000 1.347 198 I CB -1.066 36.908 38.000 -0.045 0.000 1.044 198 I HN 0.441 nan 8.210 nan 0.000 0.408 199 E N 0.827 121.007 120.200 -0.033 0.000 2.077 199 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 199 E C 2.396 178.994 176.600 -0.003 0.000 0.989 199 E CA 1.886 58.276 56.400 -0.018 0.000 0.800 199 E CB -0.281 29.416 29.700 -0.005 0.000 0.746 199 E HN 0.263 nan 8.360 nan 0.000 0.452 200 S N -0.195 115.517 115.700 0.019 0.000 2.359 200 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 200 S C 1.769 176.368 174.600 -0.003 0.000 1.035 200 S CA 1.574 59.824 58.200 0.083 0.000 1.018 200 S CB -0.502 62.758 63.200 0.100 0.000 0.876 200 S HN 0.349 nan 8.310 nan 0.000 0.448 201 N N 0.887 119.588 118.700 0.002 0.000 2.166 201 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 201 N C 1.830 177.330 175.510 -0.017 0.000 1.019 201 N CA 1.136 54.194 53.050 0.013 0.000 0.856 201 N CB -0.676 37.851 38.487 0.067 0.000 0.993 201 N HN 0.468 nan 8.380 nan 0.000 0.426 202 Q N 0.910 120.683 119.800 -0.045 0.000 2.050 202 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 202 Q C 1.799 177.766 176.000 -0.055 0.000 0.980 202 Q CA 1.396 57.168 55.803 -0.052 0.000 0.840 202 Q CB -0.195 28.498 28.738 -0.075 0.000 0.898 202 Q HN 0.211 nan 8.270 nan 0.000 0.424 203 Q N -0.182 119.522 119.800 -0.159 0.000 2.096 203 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 203 Q C 2.119 177.823 176.000 -0.493 0.000 0.982 203 Q CA 1.328 56.966 55.803 -0.276 0.000 0.850 203 Q CB -0.645 27.923 28.738 -0.283 0.000 0.901 203 Q HN 0.410 nan 8.270 nan 0.000 0.422 204 L N -0.059 120.729 121.223 -0.725 0.000 2.083 204 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 204 L C 2.136 178.930 176.870 -0.127 0.000 1.083 204 L CA 1.547 56.073 54.840 -0.524 0.000 0.752 204 L CB -0.689 41.196 42.059 -0.291 0.000 0.899 204 L HN 0.126 nan 8.230 nan 0.000 0.433 205 F N 0.687 120.536 119.950 -0.168 0.000 2.171 205 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 205 F C 1.899 177.661 175.800 -0.062 0.000 1.090 205 F CA 1.934 59.885 58.000 -0.081 0.000 1.293 205 F CB -0.449 38.514 39.000 -0.062 0.000 1.013 205 F HN 0.300 nan 8.300 nan 0.000 0.486 206 N N -0.681 118.142 118.700 0.205 0.000 2.322 206 N HA 0.100 4.840 4.740 -0.000 0.000 0.194 206 N C 0.988 176.525 175.510 0.044 0.000 1.126 206 N CA 0.012 53.147 53.050 0.141 0.000 0.845 206 N CB 0.250 38.809 38.487 0.119 0.000 0.976 206 N HN 0.294 nan 8.380 nan 0.000 0.475 207 R N -0.543 119.959 120.500 0.003 0.000 2.561 207 R HA 0.189 4.529 4.340 -0.000 0.000 0.213 207 R C -0.336 175.991 176.300 0.045 0.000 0.885 207 R CA -0.409 55.713 56.100 0.036 0.000 1.002 207 R CB 0.345 30.688 30.300 0.071 0.000 1.432 207 R HN -0.004 nan 8.270 nan 0.000 0.651 208 L N 2.860 124.092 121.223 0.016 0.000 2.410 208 L HA 0.140 4.480 4.340 -0.000 0.000 0.273 208 L C -0.390 176.496 176.870 0.027 0.000 1.152 208 L CA 0.058 54.920 54.840 0.037 0.000 0.855 208 L CB 0.666 42.718 42.059 -0.012 0.000 1.129 208 L HN -0.035 nan 8.230 nan 0.000 0.463 209 D N 2.928 123.379 120.400 0.085 0.000 2.352 209 D HA 0.014 4.654 4.640 -0.000 0.000 0.245 209 D C 1.274 177.674 176.300 0.167 0.000 1.224 209 D CA 0.482 54.545 54.000 0.105 0.000 0.879 209 D CB 1.219 42.090 40.800 0.118 0.000 1.057 209 D HN 0.780 nan 8.370 nan 0.000 0.491 210 T N 2.763 117.405 114.554 0.146 0.000 2.649 210 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 210 T C 1.203 176.118 174.700 0.359 0.000 1.036 210 T CA 2.238 64.496 62.100 0.263 0.000 1.157 210 T CB -0.116 68.828 68.868 0.126 0.000 0.861 210 T HN 0.374 nan 8.240 nan 0.000 0.445 211 D N -0.179 120.404 120.400 0.304 0.000 2.085 211 D HA 0.032 4.672 4.640 -0.000 0.000 0.199 211 D C 2.641 179.232 176.300 0.486 0.000 0.981 211 D CA 0.724 54.982 54.000 0.429 0.000 0.834 211 D CB -0.094 40.960 40.800 0.422 0.000 0.992 211 D HN 0.150 nan 8.370 nan 0.000 0.457 212 R N -0.085 120.617 120.500 0.337 0.000 2.103 212 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 212 R C 2.341 178.727 176.300 0.142 0.000 1.142 212 R CA 0.757 56.956 56.100 0.165 0.000 0.960 212 R CB -1.089 29.234 30.300 0.039 0.000 0.858 212 R HN 0.342 nan 8.270 nan 0.000 0.439 213 F N 0.159 120.127 119.950 0.030 0.000 2.134 213 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 213 F C 2.106 177.800 175.800 -0.176 0.000 1.097 213 F CA 1.326 59.254 58.000 -0.120 0.000 1.264 213 F CB -0.449 38.415 39.000 -0.227 0.000 1.001 213 F HN -0.029 nan 8.300 nan 0.000 0.479 214 F N -0.802 118.926 119.950 -0.370 0.000 2.407 214 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 214 F C 1.111 176.529 175.800 -0.637 0.000 1.097 214 F CA 1.288 58.933 58.000 -0.591 0.000 1.422 214 F CB -0.296 38.483 39.000 -0.369 0.000 1.067 214 F HN 0.031 nan 8.300 nan 0.000 0.539 215 Y N -2.769 117.525 120.300 -0.010 0.000 2.462 215 Y HA 0.108 4.658 4.550 -0.000 0.000 0.253 215 Y C 1.809 177.660 175.900 -0.082 0.000 1.095 215 Y CA 0.133 58.220 58.100 -0.021 0.000 1.283 215 Y CB 0.075 38.679 38.460 0.241 0.000 1.138 215 Y HN 0.048 nan 8.280 nan 0.000 0.522 216 C N -2.305 116.999 119.300 0.007 0.000 3.545 216 C HA 0.280 4.739 4.460 -0.000 0.000 0.368 216 C C 1.905 176.892 174.990 -0.004 0.000 1.400 216 C CA -0.233 58.795 59.018 0.017 0.000 1.848 216 C CB -0.152 27.599 27.740 0.019 0.000 2.576 216 C HN 0.228 nan 8.230 nan 0.000 0.683 217 V N 0.886 120.680 119.914 -0.200 0.000 2.735 217 V HA 0.094 4.214 4.120 -0.000 0.000 0.234 217 V C 2.472 178.402 176.094 -0.274 0.000 1.121 217 V CA 0.929 63.130 62.300 -0.164 0.000 1.160 217 V CB -0.760 30.906 31.823 -0.260 0.000 0.908 217 V HN 0.300 nan 8.190 nan 0.000 0.495 218 R N 1.575 121.533 120.500 -0.904 0.000 2.133 218 R HA -0.146 4.194 4.340 -0.000 0.000 0.247 218 R C -0.456 175.643 176.300 -0.335 0.000 1.151 218 R CA 2.152 57.799 56.100 -0.754 0.000 0.971 218 R CB -1.251 28.343 30.300 -1.176 0.000 0.866 218 R HN 0.470 nan 8.270 nan 0.000 0.447 219 P HA -0.152 nan 4.420 nan 0.000 0.236 219 P C 0.012 177.018 177.300 -0.490 0.000 1.172 219 P CA 1.187 64.007 63.100 -0.467 0.000 0.759 219 P CB -0.084 31.279 31.700 -0.563 0.000 0.843 220 Y N -2.277 117.852 120.300 -0.284 0.000 2.462 220 Y HA 0.118 4.668 4.550 -0.000 0.000 0.261 220 Y C 1.319 177.041 175.900 -0.296 0.000 1.146 220 Y CA 0.376 58.151 58.100 -0.541 0.000 1.283 220 Y CB -0.341 37.432 38.460 -1.144 0.000 1.090 220 Y HN -0.075 nan 8.280 nan 0.000 0.526 221 Y N 0.030 120.390 120.300 0.101 0.000 2.683 221 Y HA 0.226 4.776 4.550 -0.000 0.000 0.297 221 Y C 0.525 176.500 175.900 0.126 0.000 1.147 221 Y CA -0.693 57.554 58.100 0.244 0.000 1.274 221 Y CB -0.118 38.482 38.460 0.233 0.000 1.143 221 Y HN -0.227 nan 8.280 nan 0.000 0.527 222 K N 1.180 121.680 120.400 0.167 0.000 2.107 222 K HA 0.262 4.582 4.320 -0.000 0.000 0.251 222 K C -2.616 174.082 176.600 0.164 0.000 1.012 222 K CA -1.737 54.613 56.287 0.106 0.000 0.920 222 K CB 0.241 32.746 32.500 0.008 0.000 1.033 222 K HN -0.086 nan 8.250 nan 0.000 0.478 223 P HA 0.125 nan 4.420 nan 0.000 0.279 223 P C -1.537 175.848 177.300 0.142 0.000 1.239 223 P CA -0.131 63.004 63.100 0.059 0.000 0.789 223 P CB 0.401 32.122 31.700 0.035 0.000 0.933 224 Y N -0.945 119.427 120.300 0.120 0.000 2.625 224 Y HA 0.622 5.171 4.550 -0.000 0.000 0.338 224 Y C -0.471 175.518 175.900 0.148 0.000 1.123 224 Y CA -1.693 56.467 58.100 0.100 0.000 1.046 224 Y CB 1.115 39.623 38.460 0.079 0.000 1.299 224 Y HN 0.090 nan 8.280 nan 0.000 0.464 225 R N 1.139 121.860 120.500 0.368 0.000 2.390 225 R HA 0.636 4.976 4.340 -0.000 0.000 0.291 225 R C -1.386 175.157 176.300 0.405 0.000 1.070 225 R CA -0.822 55.454 56.100 0.293 0.000 1.014 225 R CB 1.429 31.837 30.300 0.179 0.000 1.007 225 R HN 0.572 nan 8.270 nan 0.000 0.466 226 V N 3.310 123.472 119.914 0.413 0.000 2.380 226 V HA 0.424 4.544 4.120 -0.000 0.000 0.286 226 V C 0.809 177.083 176.094 0.300 0.000 1.015 226 V CA 0.117 62.630 62.300 0.355 0.000 0.834 226 V CB 0.744 32.722 31.823 0.258 0.000 1.009 226 V HN 1.149 nan 8.190 nan 0.000 0.428 227 G N 5.132 114.050 108.800 0.197 0.000 2.514 227 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.265 227 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.265 227 G C 1.014 175.993 174.900 0.132 0.000 1.150 227 G CA 0.814 46.003 45.100 0.148 0.000 0.959 227 G HN 1.480 nan 8.290 nan 0.000 0.556 228 S N -0.846 114.918 115.700 0.106 0.000 2.503 228 S HA 0.505 4.975 4.470 -0.000 0.000 0.215 228 S C 0.930 175.554 174.600 0.040 0.000 1.003 228 S CA 1.034 59.275 58.200 0.068 0.000 0.910 228 S CB 0.403 63.630 63.200 0.045 0.000 0.790 228 S HN 1.294 nan 8.310 nan 0.000 0.514 229 V N 2.703 122.641 119.914 0.040 0.000 2.607 229 V HA 0.374 4.494 4.120 -0.000 0.000 0.289 229 V C 0.061 176.030 176.094 -0.208 0.000 1.053 229 V CA -0.704 61.515 62.300 -0.135 0.000 0.996 229 V CB 1.500 33.164 31.823 -0.265 0.000 0.995 229 V HN 0.293 nan 8.190 nan 0.000 0.476 230 V N 5.259 125.007 119.914 -0.277 0.000 2.432 230 V HA 0.355 4.475 4.120 -0.000 0.000 0.275 230 V C -0.803 175.072 176.094 -0.366 0.000 1.043 230 V CA -0.434 61.758 62.300 -0.180 0.000 0.925 230 V CB 0.760 32.533 31.823 -0.084 0.000 0.985 230 V HN 0.715 nan 8.190 nan 0.000 0.466 231 Y N 4.213 124.485 120.300 -0.047 0.000 2.328 231 Y HA 0.609 5.159 4.550 -0.000 0.000 0.336 231 Y C 0.612 176.484 175.900 -0.047 0.000 0.960 231 Y CA -1.264 56.825 58.100 -0.018 0.000 1.134 231 Y CB 1.335 39.755 38.460 -0.067 0.000 1.166 231 Y HN 0.739 nan 8.280 nan 0.000 0.464 232 R N 1.207 121.801 120.500 0.157 0.000 2.863 232 R HA 0.488 4.828 4.340 -0.000 0.000 0.273 232 R C 0.504 176.887 176.300 0.139 0.000 1.057 232 R CA -0.234 55.912 56.100 0.076 0.000 1.191 232 R CB -0.146 30.143 30.300 -0.017 0.000 1.104 232 R HN 0.722 nan 8.270 nan 0.000 0.519 233 G N -0.745 108.120 108.800 0.108 0.000 2.507 233 G HA2 0.467 4.427 3.960 -0.000 0.000 0.271 233 G HA3 0.467 4.427 3.960 -0.000 0.000 0.271 233 G C -0.491 174.516 174.900 0.179 0.000 1.189 233 G CA -0.545 44.653 45.100 0.164 0.000 0.859 233 G HN 0.844 nan 8.290 nan 0.000 0.542 234 A N 0.862 123.767 122.820 0.142 0.000 2.448 234 A HA 0.440 4.760 4.320 -0.000 0.000 0.239 234 A C 0.445 178.171 177.584 0.237 0.000 1.080 234 A CA -0.078 52.050 52.037 0.153 0.000 0.779 234 A CB 0.175 19.090 19.000 -0.141 0.000 1.026 234 A HN 0.798 nan 8.150 nan 0.000 0.499 235 N N -0.376 118.433 118.700 0.182 0.000 2.225 235 N HA 0.480 5.220 4.740 -0.000 0.000 0.298 235 N C 0.483 176.099 175.510 0.176 0.000 1.076 235 N CA -0.233 52.918 53.050 0.168 0.000 0.792 235 N CB 1.924 40.473 38.487 0.103 0.000 1.498 235 N HN 0.665 nan 8.380 nan 0.000 0.474 236 A N 0.970 123.883 122.820 0.156 0.000 2.225 236 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 236 A C 1.638 179.344 177.584 0.204 0.000 1.164 236 A CA 1.447 53.547 52.037 0.105 0.000 0.710 236 A CB -0.634 18.379 19.000 0.022 0.000 0.780 236 A HN 0.776 nan 8.150 nan 0.000 0.473 237 G N -1.051 107.876 108.800 0.212 0.000 3.284 237 G HA2 0.209 4.169 3.960 -0.000 0.000 0.236 237 G HA3 0.209 4.169 3.960 -0.000 0.000 0.236 237 G C -0.314 174.704 174.900 0.198 0.000 1.158 237 G CA -0.102 45.137 45.100 0.232 0.000 0.774 237 G HN 0.287 nan 8.290 nan 0.000 0.545 238 D N 1.392 121.971 120.400 0.299 0.000 2.558 238 D HA 0.376 5.016 4.640 -0.000 0.000 0.221 238 D C -0.466 176.071 176.300 0.394 0.000 1.143 238 D CA 0.080 54.221 54.000 0.235 0.000 1.010 238 D CB -0.152 40.783 40.800 0.225 0.000 1.068 238 D HN 0.333 nan 8.370 nan 0.000 0.511 239 F N -2.111 117.837 119.950 -0.004 0.000 2.725 239 F HA 0.533 5.060 4.527 -0.000 0.000 0.309 239 F C 0.598 176.390 175.800 -0.013 0.000 1.132 239 F CA -1.507 56.498 58.000 0.009 0.000 0.957 239 F CB 0.372 39.385 39.000 0.022 0.000 1.286 239 F HN -0.073 nan 8.300 nan 0.000 0.440 240 A N 2.143 124.936 122.820 -0.046 0.000 1.883 240 A HA 0.178 4.498 4.320 -0.000 0.000 0.217 240 A C 2.238 179.658 177.584 -0.273 0.000 1.186 240 A CA 2.471 54.435 52.037 -0.122 0.000 0.624 240 A CB -1.641 17.367 19.000 0.014 0.000 0.822 240 A HN 1.704 nan 8.150 nan 0.000 0.444 241 G N 0.416 109.116 108.800 -0.167 0.000 2.808 241 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.225 241 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.225 241 G C 1.503 176.209 174.900 -0.323 0.000 1.210 241 G CA 1.838 46.877 45.100 -0.103 0.000 0.777 241 G HN 0.689 nan 8.290 nan 0.000 0.640 242 I N 1.475 121.553 120.570 -0.820 0.000 2.208 242 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 242 I C 2.185 178.103 176.117 -0.330 0.000 1.097 242 I CA 1.944 62.838 61.300 -0.676 0.000 1.363 242 I CB -0.290 37.157 38.000 -0.922 0.000 1.051 242 I HN 0.186 nan 8.210 nan 0.000 0.413 243 N N -0.211 118.296 118.700 -0.321 0.000 2.409 243 N HA -0.039 4.701 4.740 -0.000 0.000 0.179 243 N C 1.911 177.385 175.510 -0.059 0.000 1.032 243 N CA 1.178 54.162 53.050 -0.110 0.000 0.898 243 N CB -0.028 38.379 38.487 -0.134 0.000 0.971 243 N HN 0.304 nan 8.380 nan 0.000 0.441 244 V N 1.785 121.637 119.914 -0.103 0.000 2.427 244 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 244 V C 2.232 178.283 176.094 -0.071 0.000 1.051 244 V CA 1.057 63.324 62.300 -0.055 0.000 1.048 244 V CB -0.269 31.531 31.823 -0.038 0.000 0.666 244 V HN 0.194 nan 8.190 nan 0.000 0.456 245 I N -0.118 120.382 120.570 -0.117 0.000 2.286 245 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 245 I C 2.261 178.244 176.117 -0.224 0.000 1.104 245 I CA 1.345 62.529 61.300 -0.193 0.000 1.397 245 I CB -0.484 37.330 38.000 -0.310 0.000 1.072 245 I HN 0.286 nan 8.210 nan 0.000 0.417 246 D N 0.892 121.199 120.400 -0.155 0.000 2.106 246 D HA -0.178 4.462 4.640 -0.000 0.000 0.191 246 D C 2.096 178.288 176.300 -0.180 0.000 0.997 246 D CA 1.382 55.317 54.000 -0.108 0.000 0.834 246 D CB -0.299 40.496 40.800 -0.008 0.000 0.956 246 D HN 0.085 nan 8.370 nan 0.000 0.448 247 L N 0.642 121.786 121.223 -0.131 0.000 2.027 247 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 247 L C 2.511 179.326 176.870 -0.092 0.000 1.074 247 L CA 1.531 56.291 54.840 -0.133 0.000 0.745 247 L CB -1.416 40.617 42.059 -0.044 0.000 0.898 247 L HN 0.045 nan 8.230 nan 0.000 0.433 248 T N -0.346 114.174 114.554 -0.058 0.000 2.788 248 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 248 T C 1.925 176.639 174.700 0.024 0.000 1.044 248 T CA 0.988 63.076 62.100 -0.021 0.000 1.139 248 T CB -0.219 68.642 68.868 -0.012 0.000 0.867 248 T HN 0.190 nan 8.240 nan 0.000 0.454 249 L N 0.350 121.581 121.223 0.013 0.000 2.554 249 L HA 0.211 4.551 4.340 -0.000 0.000 0.226 249 L C 2.093 179.017 176.870 0.090 0.000 1.137 249 L CA 0.457 55.371 54.840 0.123 0.000 0.863 249 L CB -0.588 41.465 42.059 -0.011 0.000 0.985 249 L HN 0.516 nan 8.230 nan 0.000 0.451 250 G N 0.118 108.885 108.800 -0.056 0.000 2.168 250 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 250 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 250 G C 0.884 175.574 174.900 -0.349 0.000 0.977 250 G CA 0.494 45.498 45.100 -0.161 0.000 0.659 250 G HN 0.349 nan 8.290 nan 0.000 0.533 251 L N -0.911 120.144 121.223 -0.281 0.000 2.275 251 L HA 0.083 4.423 4.340 -0.000 0.000 0.215 251 L C 1.548 178.076 176.870 -0.569 0.000 1.119 251 L CA 0.902 55.568 54.840 -0.291 0.000 0.790 251 L CB -0.214 41.784 42.059 -0.103 0.000 0.919 251 L HN 0.480 nan 8.230 nan 0.000 0.443 252 C N -1.630 117.195 119.300 -0.792 0.000 2.771 252 C HA 0.603 5.063 4.460 -0.000 0.000 0.333 252 C C -0.554 173.676 174.990 -1.265 0.000 1.267 252 C CA -0.871 57.537 59.018 -1.017 0.000 1.721 252 C CB 1.591 28.632 27.740 -1.165 0.000 2.222 252 C HN 0.020 nan 8.230 nan 0.000 0.485 253 F N 0.116 119.811 119.950 -0.424 0.000 2.507 253 F HA 0.536 5.063 4.527 -0.000 0.000 0.328 253 F C 0.811 176.548 175.800 -0.105 0.000 1.136 253 F CA -0.679 57.202 58.000 -0.198 0.000 0.930 253 F CB 1.099 40.044 39.000 -0.092 0.000 1.166 253 F HN 0.706 nan 8.300 nan 0.000 0.436 254 A N 2.087 124.980 122.820 0.121 0.000 2.067 254 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 254 A C 1.756 179.449 177.584 0.180 0.000 1.158 254 A CA 1.672 53.829 52.037 0.200 0.000 0.661 254 A CB -0.853 18.241 19.000 0.156 0.000 0.801 254 A HN 0.839 nan 8.150 nan 0.000 0.452 255 N N 0.229 119.027 118.700 0.164 0.000 2.521 255 N HA -0.027 4.713 4.740 -0.000 0.000 0.188 255 N C -0.035 175.536 175.510 0.102 0.000 1.146 255 N CA 0.406 53.526 53.050 0.116 0.000 0.893 255 N CB -0.208 38.334 38.487 0.090 0.000 0.975 255 N HN 0.554 nan 8.380 nan 0.000 0.451 256 E N -0.375 119.910 120.200 0.141 0.000 2.134 256 E HA 0.419 4.769 4.350 -0.000 0.000 0.278 256 E C 0.379 177.055 176.600 0.126 0.000 0.959 256 E CA -0.497 55.972 56.400 0.114 0.000 0.783 256 E CB 1.476 31.253 29.700 0.128 0.000 1.095 256 E HN 0.247 nan 8.360 nan 0.000 0.399 257 A N 3.136 126.004 122.820 0.081 0.000 1.915 257 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 257 A C 2.201 179.825 177.584 0.066 0.000 1.198 257 A CA 2.610 54.686 52.037 0.065 0.000 0.647 257 A CB -0.853 18.172 19.000 0.041 0.000 0.825 257 A HN 0.702 nan 8.150 nan 0.000 0.456 258 S N -1.846 113.899 115.700 0.075 0.000 2.374 258 S HA -0.282 4.188 4.470 -0.000 0.000 0.227 258 S C 1.972 176.619 174.600 0.079 0.000 1.037 258 S CA 1.786 60.027 58.200 0.068 0.000 1.024 258 S CB -0.809 62.438 63.200 0.080 0.000 0.861 258 S HN 0.644 nan 8.310 nan 0.000 0.456 259 Y N 2.952 123.261 120.300 0.015 0.000 2.206 259 Y HA -0.020 4.530 4.550 -0.000 0.000 0.292 259 Y C 2.926 178.811 175.900 -0.025 0.000 1.123 259 Y CA 1.426 59.525 58.100 -0.002 0.000 1.142 259 Y CB -0.531 37.949 38.460 0.033 0.000 1.006 259 Y HN 0.489 nan 8.280 nan 0.000 0.518 260 S N -0.436 115.330 115.700 0.111 0.000 2.399 260 S HA -0.278 4.192 4.470 -0.000 0.000 0.231 260 S C 1.933 176.493 174.600 -0.066 0.000 1.022 260 S CA 1.374 59.595 58.200 0.035 0.000 0.983 260 S CB -0.623 62.641 63.200 0.106 0.000 0.803 260 S HN 0.533 nan 8.310 nan 0.000 0.480 261 Q N 1.503 121.271 119.800 -0.054 0.000 2.124 261 Q HA 0.018 4.357 4.340 -0.000 0.000 0.202 261 Q C 2.125 178.029 176.000 -0.160 0.000 0.977 261 Q CA 1.823 57.583 55.803 -0.071 0.000 0.850 261 Q CB -0.565 28.149 28.738 -0.039 0.000 0.901 261 Q HN 0.732 nan 8.270 nan 0.000 0.429 262 M N -0.856 118.603 119.600 -0.236 0.000 2.159 262 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 262 M C 1.451 177.485 176.300 -0.444 0.000 1.063 262 M CA 1.334 56.442 55.300 -0.321 0.000 1.110 262 M CB 0.016 32.381 32.600 -0.391 0.000 1.374 262 M HN 0.353 nan 8.290 nan 0.000 0.411 263 L N -0.621 120.273 121.223 -0.549 0.000 2.056 263 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 263 L C 2.380 178.605 176.870 -1.076 0.000 1.078 263 L CA 0.751 55.100 54.840 -0.817 0.000 0.749 263 L CB -0.864 40.785 42.059 -0.684 0.000 0.901 263 L HN 0.165 nan 8.230 nan 0.000 0.433 264 V N -0.209 119.399 119.914 -0.511 0.000 2.392 264 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 264 V C 1.575 177.614 176.094 -0.091 0.000 1.059 264 V CA 1.756 63.983 62.300 -0.123 0.000 1.051 264 V CB -0.546 31.313 31.823 0.059 0.000 0.658 264 V HN 0.435 nan 8.190 nan 0.000 0.455 265 D N 0.078 120.374 120.400 -0.173 0.000 2.352 265 D HA -0.033 4.607 4.640 -0.000 0.000 0.232 265 D C 1.685 177.864 176.300 -0.202 0.000 1.055 265 D CA 0.642 54.561 54.000 -0.134 0.000 0.891 265 D CB 0.010 40.712 40.800 -0.162 0.000 0.897 265 D HN 0.724 nan 8.370 nan 0.000 0.529 266 K N -1.795 118.469 120.400 -0.227 0.000 2.529 266 K HA 0.108 4.428 4.320 -0.000 0.000 0.215 266 K C 1.333 177.967 176.600 0.056 0.000 1.286 266 K CA -0.276 55.917 56.287 -0.157 0.000 0.997 266 K CB -0.205 32.139 32.500 -0.260 0.000 1.063 266 K HN -0.239 nan 8.250 nan 0.000 0.590 267 F N 2.605 122.598 119.950 0.073 0.000 2.063 267 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 267 F C 1.846 177.721 175.800 0.125 0.000 1.109 267 F CA 1.416 59.459 58.000 0.073 0.000 1.212 267 F CB -0.618 38.409 39.000 0.045 0.000 0.973 267 F HN -0.094 nan 8.300 nan 0.000 0.480 268 L N -1.864 119.592 121.223 0.388 0.000 2.456 268 L HA -0.201 4.139 4.340 -0.000 0.000 0.224 268 L C 1.360 178.339 176.870 0.182 0.000 1.148 268 L CA 0.648 55.643 54.840 0.257 0.000 0.825 268 L CB -0.657 41.536 42.059 0.223 0.000 0.937 268 L HN 0.170 nan 8.230 nan 0.000 0.450 269 Y N -0.150 120.217 120.300 0.113 0.000 2.461 269 Y HA 0.194 4.744 4.550 -0.000 0.000 0.277 269 Y C 0.866 176.824 175.900 0.096 0.000 1.182 269 Y CA -0.258 57.896 58.100 0.090 0.000 1.276 269 Y CB -0.166 38.325 38.460 0.052 0.000 1.087 269 Y HN 0.177 nan 8.280 nan 0.000 0.519 270 M N -2.491 117.232 119.600 0.206 0.000 2.719 270 M HA 0.571 5.051 4.480 -0.000 0.000 0.291 270 M C -0.727 175.593 176.300 0.034 0.000 1.264 270 M CA -1.253 54.127 55.300 0.133 0.000 0.811 270 M CB 1.473 34.165 32.600 0.153 0.000 1.756 270 M HN -0.331 nan 8.290 nan 0.000 0.464 271 M N 1.155 120.711 119.600 -0.073 0.000 2.245 271 M HA 0.214 4.694 4.480 -0.000 0.000 0.344 271 M C -1.915 174.290 176.300 -0.159 0.000 1.170 271 M CA -2.070 53.102 55.300 -0.215 0.000 1.135 271 M CB -0.470 31.944 32.600 -0.311 0.000 1.574 271 M HN 0.475 nan 8.290 nan 0.000 0.452 272 P HA -0.197 nan 4.420 nan 0.000 0.217 272 P C 1.194 178.382 177.300 -0.187 0.000 1.151 272 P CA 1.448 64.418 63.100 -0.218 0.000 0.849 272 P CB 0.149 31.632 31.700 -0.362 0.000 0.787 273 E N -1.034 119.032 120.200 -0.222 0.000 2.150 273 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 273 E C 1.336 177.891 176.600 -0.074 0.000 0.985 273 E CA 0.933 57.245 56.400 -0.146 0.000 0.814 273 E CB -0.252 29.360 29.700 -0.147 0.000 0.752 273 E HN 0.161 nan 8.360 nan 0.000 0.466 274 D N -0.009 120.362 120.400 -0.048 0.000 2.224 274 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 274 D C 1.782 178.109 176.300 0.045 0.000 0.965 274 D CA 0.690 54.700 54.000 0.018 0.000 0.852 274 D CB 0.062 40.898 40.800 0.058 0.000 0.947 274 D HN 0.235 nan 8.370 nan 0.000 0.494 275 Q N -0.113 119.703 119.800 0.026 0.000 2.046 275 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 275 Q C 2.029 177.988 176.000 -0.067 0.000 0.975 275 Q CA 1.065 56.886 55.803 0.030 0.000 0.836 275 Q CB -0.061 28.644 28.738 -0.055 0.000 0.896 275 Q HN 0.119 nan 8.270 nan 0.000 0.428 276 Q N 1.147 120.896 119.800 -0.086 0.000 2.061 276 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 276 Q C 1.794 177.765 176.000 -0.048 0.000 0.984 276 Q CA 1.657 57.407 55.803 -0.089 0.000 0.846 276 Q CB -0.263 28.423 28.738 -0.087 0.000 0.902 276 Q HN 0.421 nan 8.270 nan 0.000 0.421 277 I N -0.293 120.264 120.570 -0.022 0.000 2.179 277 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 277 I C 2.314 178.445 176.117 0.024 0.000 1.088 277 I CA 0.900 62.199 61.300 -0.002 0.000 1.357 277 I CB -0.357 37.646 38.000 0.005 0.000 1.051 277 I HN 0.259 nan 8.210 nan 0.000 0.409 278 L N 0.601 121.862 121.223 0.062 0.000 1.976 278 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 278 L C 2.962 179.916 176.870 0.140 0.000 1.071 278 L CA 1.619 56.534 54.840 0.126 0.000 0.746 278 L CB -0.347 41.865 42.059 0.255 0.000 0.890 278 L HN 0.182 nan 8.230 nan 0.000 0.432 279 R N -0.333 120.225 120.500 0.097 0.000 2.113 279 R HA -0.289 4.051 4.340 -0.000 0.000 0.244 279 R C 2.135 178.452 176.300 0.028 0.000 1.142 279 R CA 2.079 58.195 56.100 0.027 0.000 0.953 279 R CB -0.537 29.668 30.300 -0.158 0.000 0.860 279 R HN 0.487 nan 8.270 nan 0.000 0.438 280 E N 0.481 120.684 120.200 0.004 0.000 2.118 280 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 280 E C 1.739 178.349 176.600 0.016 0.000 0.992 280 E CA 1.499 57.900 56.400 0.001 0.000 0.804 280 E CB -0.039 29.654 29.700 -0.011 0.000 0.741 280 E HN 0.380 nan 8.360 nan 0.000 0.458 281 C N 0.527 119.845 119.300 0.029 0.000 2.419 281 C HA -0.057 4.403 4.460 -0.000 0.000 0.283 281 C C 2.405 177.420 174.990 0.040 0.000 1.373 281 C CA 0.546 59.580 59.018 0.028 0.000 1.781 281 C CB -0.862 26.895 27.740 0.030 0.000 1.886 281 C HN 0.542 nan 8.230 nan 0.000 0.520 282 M N 0.580 120.220 119.600 0.066 0.000 2.686 282 M HA -0.041 4.439 4.480 -0.000 0.000 0.246 282 M C 1.602 177.935 176.300 0.056 0.000 1.096 282 M CA 1.135 56.484 55.300 0.081 0.000 1.076 282 M CB -0.203 32.468 32.600 0.119 0.000 1.504 282 M HN 0.510 nan 8.290 nan 0.000 0.524 283 R N -1.164 119.357 120.500 0.035 0.000 2.616 283 R HA 0.437 4.777 4.340 -0.000 0.000 0.427 283 R C -0.212 176.096 176.300 0.013 0.000 1.030 283 R CA -0.410 55.705 56.100 0.025 0.000 1.133 283 R CB 0.472 30.783 30.300 0.018 0.000 1.444 283 R HN -0.001 nan 8.270 nan 0.000 0.578 284 R N 1.374 121.880 120.500 0.010 0.000 2.832 284 R HA 0.542 4.882 4.340 -0.000 0.000 0.271 284 R C -2.491 173.807 176.300 -0.003 0.000 0.996 284 R CA -1.880 54.219 56.100 -0.001 0.000 0.977 284 R CB 1.005 31.300 30.300 -0.007 0.000 1.168 284 R HN -0.022 nan 8.270 nan 0.000 0.482 285 P HA 0.257 nan 4.420 nan 0.000 0.275 285 P C -1.324 175.963 177.300 -0.022 0.000 1.266 285 P CA -0.547 62.544 63.100 -0.015 0.000 0.793 285 P CB 0.545 32.228 31.700 -0.029 0.000 1.074 286 N N -1.631 117.057 118.700 -0.020 0.000 2.380 286 N HA 0.301 5.041 4.740 -0.000 0.000 0.290 286 N C 0.328 175.818 175.510 -0.033 0.000 1.236 286 N CA -0.882 52.158 53.050 -0.017 0.000 0.780 286 N CB 0.593 39.073 38.487 -0.010 0.000 1.438 286 N HN 0.054 nan 8.380 nan 0.000 0.491 287 L N -0.723 120.485 121.223 -0.026 0.000 2.109 287 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 287 L C 2.205 179.012 176.870 -0.105 0.000 1.086 287 L CA 0.944 55.688 54.840 -0.161 0.000 0.760 287 L CB -0.415 41.519 42.059 -0.208 0.000 0.910 287 L HN 0.668 nan 8.230 nan 0.000 0.437 288 M N 0.650 120.344 119.600 0.158 0.000 2.082 288 M HA -0.258 4.222 4.480 -0.000 0.000 0.258 288 M C 1.769 178.182 176.300 0.188 0.000 1.071 288 M CA 1.969 57.446 55.300 0.294 0.000 1.103 288 M CB -0.414 32.356 32.600 0.283 0.000 1.307 288 M HN 0.101 nan 8.290 nan 0.000 0.409 289 D N 0.121 120.592 120.400 0.119 0.000 2.178 289 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 289 D C 1.660 177.994 176.300 0.057 0.000 0.980 289 D CA 1.290 55.349 54.000 0.099 0.000 0.842 289 D CB -0.484 40.364 40.800 0.079 0.000 0.948 289 D HN 0.455 nan 8.370 nan 0.000 0.472 290 D N -0.157 120.227 120.400 -0.027 0.000 2.084 290 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 290 D C 2.005 178.257 176.300 -0.081 0.000 0.990 290 D CA 0.595 54.523 54.000 -0.121 0.000 0.826 290 D CB -0.448 40.174 40.800 -0.297 0.000 0.971 290 D HN 0.186 nan 8.370 nan 0.000 0.453 291 F N 0.909 120.850 119.950 -0.017 0.000 2.126 291 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 291 F C 2.469 178.372 175.800 0.173 0.000 1.096 291 F CA 0.621 58.664 58.000 0.072 0.000 1.255 291 F CB -0.596 38.353 39.000 -0.084 0.000 0.997 291 F HN -0.062 nan 8.300 nan 0.000 0.479 292 L N -0.867 120.536 121.223 0.299 0.000 2.083 292 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 292 L C 2.264 179.239 176.870 0.175 0.000 1.083 292 L CA 1.160 56.136 54.840 0.226 0.000 0.752 292 L CB -0.545 41.620 42.059 0.178 0.000 0.899 292 L HN 0.095 nan 8.230 nan 0.000 0.433 293 Q N -0.209 119.675 119.800 0.141 0.000 2.435 293 Q HA 0.072 4.412 4.340 -0.000 0.000 0.207 293 Q C 1.121 177.192 176.000 0.118 0.000 0.956 293 Q CA 0.705 56.569 55.803 0.102 0.000 0.917 293 Q CB 0.169 28.944 28.738 0.063 0.000 0.997 293 Q HN 0.393 nan 8.270 nan 0.000 0.497 294 A N -0.069 122.867 122.820 0.193 0.000 3.181 294 A HA 0.143 4.463 4.320 -0.000 0.000 0.293 294 A C 1.185 178.849 177.584 0.134 0.000 1.346 294 A CA -0.301 51.877 52.037 0.235 0.000 1.018 294 A CB -0.263 19.009 19.000 0.453 0.000 1.093 294 A HN 0.177 nan 8.150 nan 0.000 0.629 295 K N 0.190 120.631 120.400 0.068 0.000 2.155 295 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 295 K C 1.488 178.027 176.600 -0.102 0.000 1.052 295 K CA 1.298 57.572 56.287 -0.023 0.000 0.948 295 K CB -0.133 32.379 32.500 0.021 0.000 0.728 295 K HN 0.500 nan 8.250 nan 0.000 0.448 296 G N -0.342 108.431 108.800 -0.045 0.000 3.279 296 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.230 296 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.230 296 G C 0.462 175.323 174.900 -0.065 0.000 1.230 296 G CA -0.094 44.978 45.100 -0.048 0.000 0.891 296 G HN 0.342 nan 8.290 nan 0.000 0.518 297 C N -0.545 118.656 119.300 -0.165 0.000 3.386 297 C HA 0.322 4.782 4.460 -0.000 0.000 0.279 297 C C 2.146 176.777 174.990 -0.597 0.000 1.508 297 C CA -0.864 58.035 59.018 -0.198 0.000 1.801 297 C CB -1.006 26.779 27.740 0.076 0.000 2.798 297 C HN 0.586 nan 8.230 nan 0.000 0.605 298 I N 1.308 121.472 120.570 -0.677 0.000 2.236 298 I HA -0.262 3.907 4.170 -0.000 0.000 0.249 298 I C 1.530 177.392 176.117 -0.425 0.000 1.102 298 I CA 1.798 62.598 61.300 -0.835 0.000 1.365 298 I CB 0.004 37.783 38.000 -0.368 0.000 1.051 298 I HN 0.489 nan 8.210 nan 0.000 0.420 299 H N 0.890 119.779 119.070 -0.301 0.000 2.610 299 H HA 0.265 4.821 4.556 -0.000 0.000 0.302 299 H C -0.242 174.984 175.328 -0.169 0.000 1.063 299 H CA -0.138 55.804 56.048 -0.177 0.000 1.159 299 H CB -0.115 29.578 29.762 -0.115 0.000 1.427 299 H HN 0.301 nan 8.280 nan 0.000 0.553 300 Q N 0.088 119.755 119.800 -0.222 0.000 2.222 300 Q HA 0.063 4.403 4.340 -0.000 0.000 0.252 300 Q C 0.570 176.407 176.000 -0.272 0.000 0.926 300 Q CA -0.320 55.320 55.803 -0.271 0.000 0.899 300 Q CB 1.762 30.146 28.738 -0.589 0.000 1.250 300 Q HN 0.319 nan 8.270 nan 0.000 0.441 301 D N 1.870 122.203 120.400 -0.112 0.000 2.097 301 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 301 D C 1.799 178.094 176.300 -0.007 0.000 0.989 301 D CA 1.227 55.206 54.000 -0.036 0.000 0.827 301 D CB -0.024 40.798 40.800 0.037 0.000 0.966 301 D HN 0.722 nan 8.370 nan 0.000 0.456 302 W N 0.343 121.699 121.300 0.092 0.000 2.374 302 W HA -0.220 4.440 4.660 0.000 0.000 0.288 302 W C 1.886 178.514 176.519 0.182 0.000 1.218 302 W CA 0.271 57.682 57.345 0.110 0.000 1.245 302 W CB -1.394 28.121 29.460 0.093 0.000 1.126 302 W HN 0.040 nan 8.180 nan 0.000 0.545 303 Y N 2.640 122.367 120.300 -0.955 0.000 2.163 303 Y HA -0.254 4.295 4.550 -0.000 0.000 0.288 303 Y C 2.931 178.686 175.900 -0.241 0.000 1.136 303 Y CA 2.818 60.405 58.100 -0.854 0.000 1.147 303 Y CB -0.593 37.204 38.460 -1.105 0.000 0.987 303 Y HN -0.143 nan 8.280 nan 0.000 0.509 304 Q N 0.558 120.305 119.800 -0.088 0.000 2.016 304 Q HA -0.178 4.162 4.340 -0.000 0.000 0.200 304 Q C 2.018 177.992 176.000 -0.043 0.000 0.978 304 Q CA 2.057 57.821 55.803 -0.065 0.000 0.833 304 Q CB -0.466 28.244 28.738 -0.046 0.000 0.895 304 Q HN 0.670 nan 8.270 nan 0.000 0.427 305 E N 1.033 121.251 120.200 0.030 0.000 2.007 305 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 305 E C 1.922 178.665 176.600 0.238 0.000 0.999 305 E CA 1.179 57.651 56.400 0.121 0.000 0.811 305 E CB -0.214 29.526 29.700 0.068 0.000 0.762 305 E HN 0.287 nan 8.360 nan 0.000 0.450 306 N N 1.090 119.985 118.700 0.324 0.000 2.094 306 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 306 N C 1.836 177.426 175.510 0.134 0.000 1.023 306 N CA 0.796 54.061 53.050 0.357 0.000 0.857 306 N CB -0.385 38.422 38.487 0.532 0.000 1.013 306 N HN 0.097 nan 8.380 nan 0.000 0.426 307 L N 0.926 122.060 121.223 -0.149 0.000 2.046 307 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 307 L C 2.330 179.049 176.870 -0.252 0.000 1.077 307 L CA 1.402 55.891 54.840 -0.586 0.000 0.747 307 L CB -0.216 41.341 42.059 -0.837 0.000 0.896 307 L HN 0.211 nan 8.230 nan 0.000 0.432 308 K N -0.332 119.985 120.400 -0.137 0.000 2.009 308 K HA -0.266 4.054 4.320 -0.000 0.000 0.210 308 K C 2.094 178.657 176.600 -0.061 0.000 1.049 308 K CA 1.709 57.946 56.287 -0.082 0.000 0.929 308 K CB -0.165 32.318 32.500 -0.029 0.000 0.714 308 K HN 0.144 nan 8.250 nan 0.000 0.440 309 L N 0.633 121.845 121.223 -0.019 0.000 2.093 309 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 309 L C 2.082 178.939 176.870 -0.022 0.000 1.085 309 L CA 1.379 56.196 54.840 -0.038 0.000 0.755 309 L CB -0.739 41.263 42.059 -0.096 0.000 0.904 309 L HN 0.248 nan 8.230 nan 0.000 0.435 310 F N 0.076 119.944 119.950 -0.136 0.000 2.095 310 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 310 F C 2.280 177.997 175.800 -0.138 0.000 1.104 310 F CA 1.705 59.627 58.000 -0.129 0.000 1.232 310 F CB -0.353 38.494 39.000 -0.255 0.000 0.987 310 F HN 0.042 nan 8.300 nan 0.000 0.475 311 I N 0.174 120.532 120.570 -0.354 0.000 2.315 311 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 311 I C 2.155 178.113 176.117 -0.265 0.000 1.117 311 I CA 1.477 62.555 61.300 -0.370 0.000 1.404 311 I CB -0.586 37.286 38.000 -0.214 0.000 1.071 311 I HN 0.223 nan 8.210 nan 0.000 0.419 312 E N 0.299 120.392 120.200 -0.179 0.000 2.204 312 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 312 E C 2.308 178.831 176.600 -0.127 0.000 0.989 312 E CA 0.963 57.289 56.400 -0.123 0.000 0.824 312 E CB 0.049 29.700 29.700 -0.082 0.000 0.756 312 E HN 0.328 nan 8.360 nan 0.000 0.477 313 V N 0.688 120.500 119.914 -0.170 0.000 2.323 313 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 313 V C 2.386 178.388 176.094 -0.153 0.000 1.041 313 V CA 1.329 63.546 62.300 -0.138 0.000 1.025 313 V CB -0.333 31.416 31.823 -0.124 0.000 0.656 313 V HN 0.447 nan 8.190 nan 0.000 0.451 314 C N 0.062 119.182 119.300 -0.299 0.000 2.425 314 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 314 C C 2.644 177.579 174.990 -0.091 0.000 1.280 314 C CA 0.951 59.832 59.018 -0.229 0.000 1.744 314 C CB -1.027 26.482 27.740 -0.386 0.000 1.989 314 C HN 0.623 nan 8.230 nan 0.000 0.491 315 E N 0.334 120.469 120.200 -0.109 0.000 2.152 315 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 315 E C 2.073 178.658 176.600 -0.024 0.000 0.983 315 E CA 0.761 57.124 56.400 -0.061 0.000 0.818 315 E CB -0.160 29.497 29.700 -0.072 0.000 0.758 315 E HN 0.629 nan 8.360 nan 0.000 0.467 316 L N 0.492 121.706 121.223 -0.016 0.000 2.093 316 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 316 L C 2.698 179.605 176.870 0.062 0.000 1.085 316 L CA 1.073 55.917 54.840 0.008 0.000 0.755 316 L CB -0.366 41.692 42.059 -0.001 0.000 0.904 316 L HN 0.311 nan 8.230 nan 0.000 0.435 317 H N -0.412 118.648 119.070 -0.017 0.000 2.299 317 H HA -0.129 4.427 4.556 -0.000 0.000 0.302 317 H C 2.011 177.358 175.328 0.030 0.000 1.078 317 H CA 1.481 57.549 56.048 0.033 0.000 1.323 317 H CB 0.109 29.884 29.762 0.020 0.000 1.381 317 H HN 0.333 nan 8.280 nan 0.000 0.498 318 G N 0.134 108.928 108.800 -0.010 0.000 2.442 318 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.219 318 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.219 318 G C 1.664 176.531 174.900 -0.056 0.000 1.141 318 G CA 0.869 45.926 45.100 -0.071 0.000 0.763 318 G HN 0.476 nan 8.290 nan 0.000 0.554 319 Q N -0.721 119.064 119.800 -0.026 0.000 2.137 319 Q HA -0.046 4.294 4.340 -0.000 0.000 0.198 319 Q C 2.490 178.487 176.000 -0.005 0.000 0.960 319 Q CA 1.392 57.187 55.803 -0.013 0.000 0.847 319 Q CB -0.213 28.517 28.738 -0.013 0.000 0.915 319 Q HN 0.401 nan 8.270 nan 0.000 0.448 320 T N -0.739 113.813 114.554 -0.004 0.000 3.113 320 T HA 0.046 4.396 4.350 -0.000 0.000 0.263 320 T C 1.266 175.996 174.700 0.051 0.000 1.143 320 T CA 0.887 63.002 62.100 0.025 0.000 1.090 320 T CB -0.063 68.830 68.868 0.042 0.000 0.922 320 T HN 0.418 nan 8.240 nan 0.000 0.521 321 A N 0.714 123.528 122.820 -0.010 0.000 1.903 321 A HA 0.216 4.536 4.320 -0.000 0.000 0.213 321 A C 2.112 179.760 177.584 0.107 0.000 1.185 321 A CA 0.612 52.656 52.037 0.011 0.000 0.628 321 A CB -0.390 18.543 19.000 -0.111 0.000 0.830 321 A HN 0.589 nan 8.150 nan 0.000 0.446 322 I N -0.292 120.320 120.570 0.070 0.000 2.179 322 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 322 I C 2.769 178.963 176.117 0.129 0.000 1.088 322 I CA 1.852 63.219 61.300 0.111 0.000 1.357 322 I CB -0.516 37.520 38.000 0.059 0.000 1.051 322 I HN 0.522 nan 8.210 nan 0.000 0.409 323 Q N 0.761 120.614 119.800 0.089 0.000 2.045 323 Q HA -0.340 4.000 4.340 -0.000 0.000 0.206 323 Q C 2.312 178.395 176.000 0.138 0.000 0.991 323 Q CA 2.452 58.298 55.803 0.073 0.000 0.851 323 Q CB -0.244 28.520 28.738 0.043 0.000 0.911 323 Q HN 0.588 nan 8.270 nan 0.000 0.418 324 H N -1.037 118.096 119.070 0.107 0.000 2.353 324 H HA -0.167 4.389 4.556 -0.000 0.000 0.300 324 H C 1.962 177.385 175.328 0.158 0.000 1.090 324 H CA 2.228 58.359 56.048 0.138 0.000 1.327 324 H CB -0.320 29.527 29.762 0.142 0.000 1.383 324 H HN 0.472 nan 8.280 nan 0.000 0.508 325 H N 0.093 119.179 119.070 0.027 0.000 2.387 325 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 325 H C 0.902 176.198 175.328 -0.054 0.000 1.099 325 H CA 1.962 57.994 56.048 -0.028 0.000 1.315 325 H CB -0.231 29.550 29.762 0.033 0.000 1.380 325 H HN 0.372 nan 8.280 nan 0.000 0.513 326 N N 0.299 118.949 118.700 -0.083 0.000 2.322 326 N HA 0.026 4.766 4.740 -0.000 0.000 0.216 326 N C 0.836 176.307 175.510 -0.065 0.000 1.144 326 N CA 0.065 53.036 53.050 -0.131 0.000 0.830 326 N CB 0.534 38.996 38.487 -0.041 0.000 1.034 326 N HN 0.388 nan 8.380 nan 0.000 0.484 327 E N -0.283 119.877 120.200 -0.067 0.000 2.949 327 E HA 0.210 4.560 4.350 -0.000 0.000 0.182 327 E C 0.996 177.603 176.600 0.012 0.000 1.154 327 E CA -0.012 56.395 56.400 0.012 0.000 1.205 327 E CB -0.185 29.599 29.700 0.140 0.000 1.865 327 E HN 0.058 nan 8.360 nan 0.000 0.516 328 L N 1.213 122.442 121.223 0.010 0.000 2.465 328 L HA -0.006 4.334 4.340 -0.000 0.000 0.224 328 L C 1.777 178.742 176.870 0.157 0.000 1.145 328 L CA 0.759 55.719 54.840 0.201 0.000 0.834 328 L CB 0.264 42.359 42.059 0.059 0.000 0.944 328 L HN -0.014 nan 8.230 nan 0.000 0.451 329 V N -2.900 116.983 119.914 -0.050 0.000 3.048 329 V HA -0.020 4.100 4.120 -0.000 0.000 0.241 329 V C 2.095 178.120 176.094 -0.114 0.000 1.129 329 V CA 1.359 63.623 62.300 -0.060 0.000 1.128 329 V CB 0.207 31.956 31.823 -0.124 0.000 0.849 329 V HN 0.306 nan 8.190 nan 0.000 0.475 330 T N 0.011 114.447 114.554 -0.196 0.000 2.706 330 T HA -0.103 4.247 4.350 -0.000 0.000 0.255 330 T C 1.912 176.470 174.700 -0.237 0.000 1.048 330 T CA 1.236 63.211 62.100 -0.209 0.000 1.153 330 T CB -0.148 68.595 68.868 -0.209 0.000 0.865 330 T HN 0.296 nan 8.240 nan 0.000 0.414 331 K N -0.189 119.988 120.400 -0.371 0.000 2.152 331 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 331 K C 0.088 176.228 176.600 -0.766 0.000 1.048 331 K CA 1.145 57.033 56.287 -0.664 0.000 0.933 331 K CB -0.032 31.840 32.500 -1.046 0.000 0.721 331 K HN 0.401 nan 8.250 nan 0.000 0.447 358 L N 0.901 122.133 121.223 0.015 0.000 2.728 358 L HA 0.494 4.834 4.340 -0.000 0.000 0.235 358 L C 1.551 178.439 176.870 0.029 0.000 1.197 358 L CA 0.900 55.749 54.840 0.015 0.000 0.992 358 L CB -0.677 41.386 42.059 0.007 0.000 1.263 358 L HN 0.453 nan 8.230 nan 0.000 0.484 359 L N 1.128 122.373 121.223 0.036 0.000 2.079 359 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 359 L C 2.528 179.435 176.870 0.061 0.000 1.081 359 L CA 2.003 56.876 54.840 0.055 0.000 0.752 359 L CB -0.660 41.428 42.059 0.047 0.000 0.896 359 L HN 0.352 nan 8.230 nan 0.000 0.433 360 A N -1.382 121.461 122.820 0.038 0.000 1.898 360 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 360 A C 2.336 179.934 177.584 0.023 0.000 1.181 360 A CA 1.805 53.859 52.037 0.029 0.000 0.620 360 A CB -0.970 18.040 19.000 0.018 0.000 0.819 360 A HN 0.517 nan 8.150 nan 0.000 0.442 361 S N -0.690 115.023 115.700 0.022 0.000 2.469 361 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 361 S C 1.586 176.198 174.600 0.019 0.000 0.998 361 S CA 1.269 59.480 58.200 0.018 0.000 0.957 361 S CB -0.218 62.988 63.200 0.009 0.000 0.764 361 S HN 0.388 nan 8.310 nan 0.000 0.514 362 L N 1.053 122.296 121.223 0.034 0.000 2.375 362 L HA 0.175 4.515 4.340 -0.000 0.000 0.215 362 L C 1.952 178.799 176.870 -0.037 0.000 1.108 362 L CA 1.219 56.086 54.840 0.044 0.000 0.830 362 L CB -0.230 41.902 42.059 0.121 0.000 0.959 362 L HN 0.168 nan 8.230 nan 0.000 0.457 363 E N -0.596 119.586 120.200 -0.029 0.000 2.076 363 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 363 E C 2.122 178.659 176.600 -0.106 0.000 0.979 363 E CA 0.863 57.192 56.400 -0.118 0.000 0.807 363 E CB -0.055 29.638 29.700 -0.011 0.000 0.761 363 E HN 0.466 nan 8.360 nan 0.000 0.454 364 R N 0.896 121.373 120.500 -0.039 0.000 2.092 364 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 364 R C 2.294 178.593 176.300 -0.001 0.000 1.119 364 R CA 1.002 57.094 56.100 -0.012 0.000 0.970 364 R CB -0.606 29.705 30.300 0.018 0.000 0.864 364 R HN 0.108 nan 8.270 nan 0.000 0.440 365 L N 1.704 122.928 121.223 0.002 0.000 2.017 365 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 365 L C 2.655 179.507 176.870 -0.030 0.000 1.073 365 L CA 1.753 56.611 54.840 0.030 0.000 0.745 365 L CB -0.609 41.471 42.059 0.036 0.000 0.894 365 L HN 0.144 nan 8.230 nan 0.000 0.432 366 R N -0.403 120.026 120.500 -0.117 0.000 2.148 366 R HA -0.143 4.196 4.340 -0.000 0.000 0.227 366 R C 1.519 177.745 176.300 -0.123 0.000 1.103 366 R CA 1.621 57.617 56.100 -0.173 0.000 0.983 366 R CB -0.548 29.493 30.300 -0.432 0.000 0.874 366 R HN 0.470 nan 8.270 nan 0.000 0.451 367 D N 0.002 120.343 120.400 -0.098 0.000 2.194 367 D HA -0.039 4.601 4.640 -0.000 0.000 0.204 367 D C 1.980 178.273 176.300 -0.013 0.000 0.964 367 D CA 0.602 54.569 54.000 -0.054 0.000 0.846 367 D CB 0.028 40.798 40.800 -0.050 0.000 0.962 367 D HN 0.230 nan 8.370 nan 0.000 0.490 368 R N 0.514 121.016 120.500 0.003 0.000 2.073 368 R HA 0.065 4.405 4.340 -0.000 0.000 0.229 368 R C 2.303 178.603 176.300 0.001 0.000 1.120 368 R CA 0.541 56.658 56.100 0.028 0.000 0.967 368 R CB -0.045 30.274 30.300 0.032 0.000 0.862 368 R HN 0.137 nan 8.270 nan 0.000 0.436 369 R N 0.441 120.932 120.500 -0.015 0.000 2.081 369 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 369 R C 2.137 178.432 176.300 -0.008 0.000 1.131 369 R CA 1.486 57.581 56.100 -0.009 0.000 0.960 369 R CB -0.228 30.000 30.300 -0.120 0.000 0.856 369 R HN 0.164 nan 8.270 nan 0.000 0.436 370 A N 0.433 123.237 122.820 -0.026 0.000 2.169 370 A HA 0.300 4.620 4.320 -0.000 0.000 0.212 370 A C 1.125 178.725 177.584 0.027 0.000 1.153 370 A CA 0.620 52.652 52.037 -0.009 0.000 0.756 370 A CB 0.045 19.035 19.000 -0.015 0.000 0.813 370 A HN 0.341 nan 8.150 nan 0.000 0.471 371 A N -0.994 121.849 122.820 0.039 0.000 2.791 371 A HA -0.040 4.280 4.320 -0.000 0.000 0.292 371 A C 0.709 178.391 177.584 0.162 0.000 1.487 371 A CA 0.648 52.735 52.037 0.084 0.000 0.760 371 A CB -2.768 16.269 19.000 0.061 0.000 1.031 371 A HN 1.888 nan 8.150 nan 0.000 0.503 372 V N -2.530 117.437 119.914 0.088 0.000 3.264 372 V HA 0.741 4.861 4.120 -0.000 0.000 0.304 372 V C 0.848 176.868 176.094 -0.123 0.000 1.086 372 V CA -0.412 61.912 62.300 0.040 0.000 1.090 372 V CB 1.226 33.029 31.823 -0.034 0.000 1.112 372 V HN 1.319 nan 8.190 nan 0.000 0.472 373 L N 3.292 124.235 121.223 -0.467 0.000 2.281 373 L HA 0.602 4.942 4.340 -0.000 0.000 0.285 373 L C 0.214 176.878 176.870 -0.342 0.000 1.074 373 L CA 0.438 54.875 54.840 -0.672 0.000 0.817 373 L CB -0.077 41.311 42.059 -1.117 0.000 1.168 373 L HN 0.880 nan 8.230 nan 0.000 0.434 374 R N 2.966 123.310 120.500 -0.259 0.000 2.764 374 R HA 0.393 4.733 4.340 -0.000 0.000 0.270 374 R C -0.709 175.512 176.300 -0.132 0.000 1.014 374 R CA -0.538 55.468 56.100 -0.157 0.000 0.904 374 R CB 1.487 31.726 30.300 -0.102 0.000 1.236 374 R HN 0.628 nan 8.270 nan 0.000 0.466 375 D N -1.126 119.222 120.400 -0.087 0.000 2.479 375 D HA -0.047 4.593 4.640 -0.000 0.000 0.216 375 D C 0.618 176.891 176.300 -0.045 0.000 1.110 375 D CA -0.022 53.942 54.000 -0.060 0.000 0.841 375 D CB 0.342 41.116 40.800 -0.043 0.000 1.040 375 D HN 0.539 nan 8.370 nan 0.000 0.505 376 D N 1.556 121.930 120.400 -0.043 0.000 2.249 376 D HA -0.024 4.616 4.640 -0.000 0.000 0.205 376 D C 0.999 177.280 176.300 -0.032 0.000 0.962 376 D CA 0.292 54.273 54.000 -0.031 0.000 0.860 376 D CB 0.426 41.211 40.800 -0.024 0.000 0.955 376 D HN 0.437 nan 8.370 nan 0.000 0.505 377 I N -3.210 117.337 120.570 -0.039 0.000 2.934 377 I HA 0.483 4.653 4.170 -0.000 0.000 0.306 377 I C -0.481 175.601 176.117 -0.059 0.000 1.110 377 I CA -1.527 59.750 61.300 -0.037 0.000 1.019 377 I CB 2.745 40.740 38.000 -0.009 0.000 1.227 377 I HN -0.348 nan 8.210 nan 0.000 0.434 378 R N 2.194 122.637 120.500 -0.095 0.000 2.438 378 R HA 0.596 4.935 4.340 -0.000 0.000 0.287 378 R C -1.022 175.262 176.300 -0.027 0.000 1.077 378 R CA 0.251 56.257 56.100 -0.156 0.000 1.034 378 R CB 0.907 30.965 30.300 -0.403 0.000 0.993 378 R HN 0.924 nan 8.270 nan 0.000 0.459 379 T N 3.095 117.664 114.554 0.025 0.000 2.865 379 T HA 0.372 4.722 4.350 -0.000 0.000 0.294 379 T C 0.234 175.049 174.700 0.192 0.000 1.119 379 T CA -0.949 61.241 62.100 0.151 0.000 1.007 379 T CB 1.602 70.506 68.868 0.060 0.000 1.225 379 T HN 0.485 nan 8.240 nan 0.000 0.515 380 R N 0.069 120.696 120.500 0.212 0.000 2.388 380 R HA 0.136 4.476 4.340 -0.000 0.000 0.247 380 R C 1.223 177.606 176.300 0.139 0.000 0.931 380 R CA -0.072 56.142 56.100 0.189 0.000 1.082 380 R CB -0.816 29.575 30.300 0.151 0.000 1.135 380 R HN 0.683 nan 8.270 nan 0.000 0.525 381 Y N 0.569 120.861 120.300 -0.012 0.000 2.069 381 Y HA -0.363 4.187 4.550 -0.000 0.000 0.278 381 Y C 1.654 177.604 175.900 0.082 0.000 1.175 381 Y CA 1.947 60.023 58.100 -0.040 0.000 1.134 381 Y CB -0.308 38.042 38.460 -0.185 0.000 0.965 381 Y HN 0.084 nan 8.280 nan 0.000 0.498 382 Y N -0.335 120.050 120.300 0.142 0.000 2.184 382 Y HA -0.249 4.301 4.550 -0.000 0.000 0.290 382 Y C 2.362 178.262 175.900 -0.001 0.000 1.129 382 Y CA 0.390 58.521 58.100 0.051 0.000 1.144 382 Y CB -0.203 38.335 38.460 0.130 0.000 0.995 382 Y HN 0.159 nan 8.280 nan 0.000 0.513 383 D N 0.351 120.881 120.400 0.217 0.000 2.123 383 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 383 D C 1.968 178.326 176.300 0.097 0.000 0.992 383 D CA 1.012 55.105 54.000 0.156 0.000 0.833 383 D CB -0.420 40.486 40.800 0.176 0.000 0.954 383 D HN 0.201 nan 8.370 nan 0.000 0.455 384 L N 0.852 122.102 121.223 0.046 0.000 2.141 384 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 384 L C 2.040 178.867 176.870 -0.072 0.000 1.094 384 L CA 1.573 56.401 54.840 -0.019 0.000 0.763 384 L CB -0.295 41.725 42.059 -0.065 0.000 0.908 384 L HN -0.120 nan 8.230 nan 0.000 0.437 385 K N -0.485 119.843 120.400 -0.120 0.000 2.057 385 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 385 K C 2.288 178.859 176.600 -0.048 0.000 1.050 385 K CA 1.384 57.589 56.287 -0.138 0.000 0.935 385 K CB -0.100 32.279 32.500 -0.203 0.000 0.715 385 K HN 0.229 nan 8.250 nan 0.000 0.439 386 K N 0.758 121.158 120.400 -0.000 0.000 2.063 386 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 386 K C 2.079 178.702 176.600 0.037 0.000 1.048 386 K CA 1.335 57.636 56.287 0.024 0.000 0.928 386 K CB -0.056 32.477 32.500 0.054 0.000 0.713 386 K HN 0.172 nan 8.250 nan 0.000 0.442 387 L N 0.588 121.836 121.223 0.042 0.000 2.109 387 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 387 L C 2.393 179.254 176.870 -0.015 0.000 1.086 387 L CA 1.173 56.035 54.840 0.038 0.000 0.760 387 L CB -0.214 41.867 42.059 0.037 0.000 0.910 387 L HN 0.128 nan 8.230 nan 0.000 0.437 388 K N -0.122 120.254 120.400 -0.039 0.000 2.057 388 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 388 K C 1.413 177.992 176.600 -0.035 0.000 1.050 388 K CA 1.301 57.554 56.287 -0.057 0.000 0.935 388 K CB -0.065 32.391 32.500 -0.073 0.000 0.715 388 K HN 0.206 nan 8.250 nan 0.000 0.439 389 D N -0.099 120.288 120.400 -0.022 0.000 2.363 389 D HA -0.063 4.577 4.640 -0.000 0.000 0.220 389 D C 1.600 177.903 176.300 0.006 0.000 0.994 389 D CA 0.611 54.604 54.000 -0.011 0.000 0.890 389 D CB 0.176 40.969 40.800 -0.012 0.000 0.906 389 D HN -0.002 nan 8.370 nan 0.000 0.530 390 S N -0.421 115.295 115.700 0.027 0.000 2.461 390 S HA 0.054 4.524 4.470 -0.000 0.000 0.228 390 S C 1.785 176.422 174.600 0.062 0.000 1.005 390 S CA 0.164 58.407 58.200 0.072 0.000 0.942 390 S CB 0.059 63.357 63.200 0.162 0.000 0.776 390 S HN 0.184 nan 8.310 nan 0.000 0.514 391 L N 1.030 122.262 121.223 0.015 0.000 2.341 391 L HA 0.156 4.496 4.340 -0.000 0.000 0.214 391 L C 2.754 179.607 176.870 -0.028 0.000 1.115 391 L CA 0.438 55.269 54.840 -0.014 0.000 0.820 391 L CB -0.399 41.633 42.059 -0.046 0.000 0.944 391 L HN 0.288 nan 8.230 nan 0.000 0.452 392 R N 1.119 121.607 120.500 -0.020 0.000 2.094 392 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 392 R C 2.186 178.470 176.300 -0.026 0.000 1.137 392 R CA 1.685 57.772 56.100 -0.021 0.000 0.943 392 R CB -0.545 29.747 30.300 -0.013 0.000 0.850 392 R HN 0.334 nan 8.270 nan 0.000 0.433 393 L N 0.489 121.696 121.223 -0.027 0.000 2.450 393 L HA -0.154 4.186 4.340 -0.000 0.000 0.225 393 L C 0.824 177.648 176.870 -0.076 0.000 1.145 393 L CA 0.930 55.750 54.840 -0.033 0.000 0.801 393 L CB -0.102 41.947 42.059 -0.017 0.000 0.924 393 L HN 0.311 nan 8.230 nan 0.000 0.447 394 E N 0.000 120.144 120.200 -0.093 0.000 2.725 394 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 394 E CA 0.000 56.335 56.400 -0.109 0.000 0.976 394 E CB 0.000 29.610 29.700 -0.149 0.000 0.812 394 E HN 0.000 nan 8.360 nan 0.000 0.440