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 3ho4_1_A DATA FIRST_RESID 214 DATA SEQUENCE HNcFcIQEVV SGLRQPVGAL HSGDGSQRLF ILEKEGYVKI LTPEGEIFKE DATA SEQUENCE PYLDIHKLVQ SGIKGGDERG LLSLAFHPNY KKNGKLYVSY TTXXXXXXXX DATA SEQUENCE XHDHILRVVE YTVSRKNPHQ VDLRTARVFL EVAELHRKHL GGQLLFGPDG DATA SEQUENCE FLYIILGDGX ITLDDXEEXD GLSDFTGSVL RLDVDTDXcN VPYSIPRSNP DATA SEQUENCE HFNSTNQPPE VFAHGLHDPG RcAVDRHXXX XXXNLTILcS DSNGKNRSSA DATA SEQUENCE RILQIIKGKD YESEPSLLEF KPFSNGPLVG GFVYRGcQSE RLYGSYVFGD DATA SEQUENCE RNGNFLTLQQ SPVTKQWQEK PLcLGTSGSc RGYFSGHILG FGEDELGEVY DATA SEQUENCE ILSSSKXXXX THNGKLYKIV DPKRPLXPEE cRATVQPAQT LTSEcSRLcR DATA SEQUENCE NGYcTPTGKc ccSPGWEGDF cRTAKcEPAc RHGGVcVRPN KcLcKKGYLG DATA SEQUENCE PQcEHH 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 214 H HA 0.000 nan 4.556 nan 0.000 0.296 214 H C 0.000 175.294 175.328 -0.056 0.000 0.993 214 H CA 0.000 56.032 56.048 -0.027 0.000 1.023 214 H CB 0.000 29.753 29.762 -0.015 0.000 1.292 215 N N 0.860 119.718 118.700 0.262 0.000 2.328 215 N HA 0.147 4.887 4.740 0.000 0.000 0.247 215 N C -0.761 174.705 175.510 -0.073 0.000 1.165 215 N CA 0.144 53.220 53.050 0.044 0.000 0.873 215 N CB 0.217 38.744 38.487 0.067 0.000 1.125 215 N HN 0.230 nan 8.380 nan 0.000 0.513 216 c N 0.461 119.003 118.600 -0.096 0.000 2.580 216 c HA 0.399 4.969 4.570 0.000 0.000 0.371 216 c C 1.067 175.011 174.090 -0.245 0.000 1.308 216 c CA -0.363 55.905 56.329 -0.101 0.000 2.428 216 c CB -0.272 42.167 42.510 -0.118 0.000 2.529 216 c HN 0.206 nan 8.230 nan 0.000 0.657 217 F N -0.338 119.568 119.950 -0.073 0.000 2.450 217 F HA 0.622 5.150 4.527 0.000 0.000 0.361 217 F C 0.599 176.342 175.800 -0.096 0.000 1.092 217 F CA -0.461 57.477 58.000 -0.104 0.000 1.105 217 F CB 0.538 39.441 39.000 -0.163 0.000 1.458 217 F HN 0.504 nan 8.300 nan 0.000 0.496 218 c N 2.041 120.708 118.600 0.110 0.000 2.931 218 c HA 0.669 5.239 4.570 0.000 0.000 0.370 218 c C -1.063 173.023 174.090 -0.006 0.000 1.071 218 c CA -0.904 55.433 56.329 0.015 0.000 1.266 218 c CB 0.048 42.548 42.510 -0.016 0.000 1.691 218 c HN 0.631 nan 8.230 nan 0.000 0.511 219 I N 2.653 123.209 120.570 -0.024 0.000 2.603 219 I HA 0.795 4.965 4.170 0.000 0.000 0.300 219 I C -1.072 175.071 176.117 0.043 0.000 1.017 219 I CA -0.337 60.958 61.300 -0.009 0.000 1.098 219 I CB 1.952 39.925 38.000 -0.045 0.000 1.279 219 I HN 0.691 nan 8.210 nan 0.000 0.437 220 Q N 3.710 123.578 119.800 0.113 0.000 2.292 220 Q HA 0.265 4.606 4.340 0.000 0.000 0.270 220 Q C -1.018 175.089 176.000 0.178 0.000 1.024 220 Q CA -0.454 55.418 55.803 0.115 0.000 0.768 220 Q CB 1.970 30.727 28.738 0.032 0.000 1.250 220 Q HN 0.748 nan 8.270 nan 0.000 0.447 221 E N 2.981 123.266 120.200 0.143 0.000 2.351 221 E HA 0.055 4.406 4.350 0.000 0.000 0.266 221 E C -0.262 176.279 176.600 -0.099 0.000 1.031 221 E CA -0.028 56.294 56.400 -0.130 0.000 0.911 221 E CB 0.682 30.264 29.700 -0.196 0.000 0.986 221 E HN 0.611 nan 8.360 nan 0.000 0.446 222 V N 4.649 124.493 119.914 -0.116 0.000 2.484 222 V HA 0.059 4.179 4.120 0.000 0.000 0.236 222 V C 0.372 176.396 176.094 -0.118 0.000 1.062 222 V CA 0.274 62.537 62.300 -0.062 0.000 1.081 222 V CB 0.562 32.402 31.823 0.028 0.000 0.751 222 V HN 0.472 nan 8.190 nan 0.000 0.484 223 V N 0.375 120.191 119.914 -0.163 0.000 2.914 223 V HA 0.725 4.846 4.120 0.000 0.000 0.314 223 V C -0.376 175.604 176.094 -0.190 0.000 1.084 223 V CA -0.011 62.193 62.300 -0.159 0.000 0.963 223 V CB 2.211 33.943 31.823 -0.152 0.000 1.025 223 V HN 0.578 nan 8.190 nan 0.000 0.432 224 S N 0.981 116.593 115.700 -0.146 0.000 2.811 224 S HA 0.810 5.281 4.470 0.000 0.000 0.311 224 S C 0.611 175.157 174.600 -0.092 0.000 1.152 224 S CA -0.049 58.075 58.200 -0.128 0.000 0.864 224 S CB 1.587 64.724 63.200 -0.106 0.000 1.226 224 S HN 2.432 nan 8.310 nan 0.000 0.541 225 G N 0.043 108.803 108.800 -0.067 0.000 2.198 225 G HA2 -0.194 3.766 3.960 0.000 0.000 0.260 225 G HA3 -0.194 3.766 3.960 0.000 0.000 0.260 225 G C -0.162 174.683 174.900 -0.091 0.000 1.025 225 G CA 0.553 45.629 45.100 -0.040 0.000 0.769 225 G HN 0.739 nan 8.290 nan 0.000 0.507 226 L N -0.971 120.172 121.223 -0.133 0.000 2.468 226 L HA 0.605 4.945 4.340 0.000 0.000 0.254 226 L C 1.239 177.933 176.870 -0.294 0.000 1.171 226 L CA -0.899 53.830 54.840 -0.186 0.000 0.809 226 L CB 0.669 42.641 42.059 -0.144 0.000 1.155 226 L HN 0.366 nan 8.230 nan 0.000 0.473 227 R N 1.272 121.560 120.500 -0.353 0.000 2.312 227 R HA 0.313 4.653 4.340 0.000 0.000 0.310 227 R C -0.968 175.226 176.300 -0.177 0.000 1.064 227 R CA -0.711 55.140 56.100 -0.415 0.000 0.983 227 R CB 0.816 30.725 30.300 -0.652 0.000 1.139 227 R HN 0.512 nan 8.270 nan 0.000 0.536 228 Q N 1.228 120.957 119.800 -0.118 0.000 2.436 228 Q HA -0.117 4.223 4.340 0.000 0.000 0.362 228 Q C -2.226 173.752 176.000 -0.037 0.000 1.423 228 Q CA -0.019 55.755 55.803 -0.049 0.000 1.014 228 Q CB -0.575 28.160 28.738 -0.006 0.000 1.177 228 Q HN 0.486 nan 8.270 nan 0.000 0.324 229 P HA 0.037 nan 4.420 nan 0.000 0.276 229 P C 0.420 177.705 177.300 -0.024 0.000 1.230 229 P CA -0.216 62.860 63.100 -0.040 0.000 0.776 229 P CB 1.101 32.764 31.700 -0.061 0.000 0.888 230 V N 1.622 121.534 119.914 -0.003 0.000 2.685 230 V HA 0.369 4.489 4.120 0.000 0.000 0.244 230 V C 1.179 177.272 176.094 -0.002 0.000 1.054 230 V CA 1.551 63.855 62.300 0.006 0.000 1.076 230 V CB -0.779 31.062 31.823 0.029 0.000 0.725 230 V HN 0.863 nan 8.190 nan 0.000 0.467 231 G N -1.241 107.561 108.800 0.004 0.000 2.340 231 G HA2 0.690 4.650 3.960 0.000 0.000 0.299 231 G HA3 0.690 4.650 3.960 0.000 0.000 0.299 231 G C -1.908 173.001 174.900 0.015 0.000 1.291 231 G CA 0.117 45.225 45.100 0.014 0.000 0.841 231 G HN 0.732 nan 8.290 nan 0.000 0.500 232 A N -0.736 122.101 122.820 0.027 0.000 2.574 232 A HA 0.989 5.309 4.320 0.000 0.000 0.297 232 A C -0.780 176.841 177.584 0.062 0.000 1.062 232 A CA 0.086 52.131 52.037 0.014 0.000 0.686 232 A CB 1.435 20.367 19.000 -0.113 0.000 1.285 232 A HN 2.347 nan 8.150 nan 0.000 0.403 233 L N -0.555 120.740 121.223 0.121 0.000 2.654 233 L HA 0.813 5.153 4.340 0.000 0.000 0.257 233 L C -0.560 176.458 176.870 0.247 0.000 1.093 233 L CA -1.093 53.846 54.840 0.165 0.000 0.903 233 L CB 1.730 43.868 42.059 0.133 0.000 1.520 233 L HN 1.002 nan 8.230 nan 0.000 0.402 234 H N -0.773 118.366 119.070 0.114 0.000 2.754 234 H HA 0.538 5.095 4.556 0.000 0.000 0.352 234 H C -0.398 174.800 175.328 -0.216 0.000 1.213 234 H CA -0.318 55.758 56.048 0.047 0.000 1.244 234 H CB 1.786 31.546 29.762 -0.003 0.000 1.843 234 H HN 0.755 nan 8.280 nan 0.000 0.587 235 S N -1.460 113.903 115.700 -0.561 0.000 2.540 235 S HA 0.207 4.677 4.470 0.000 0.000 0.218 235 S C 1.474 175.784 174.600 -0.483 0.000 0.977 235 S CA 0.092 57.529 58.200 -1.273 0.000 0.918 235 S CB -0.296 61.800 63.200 -1.839 0.000 0.806 235 S HN 1.183 nan 8.310 nan 0.000 0.496 236 G N 2.989 111.772 108.800 -0.028 0.000 2.203 236 G HA2 -0.308 3.652 3.960 0.000 0.000 0.263 236 G HA3 -0.308 3.652 3.960 0.000 0.000 0.263 236 G C 0.310 175.277 174.900 0.113 0.000 1.012 236 G CA 0.581 45.775 45.100 0.155 0.000 0.749 236 G HN 0.774 nan 8.290 nan 0.000 0.512 237 D N -1.556 118.903 120.400 0.098 0.000 2.398 237 D HA 0.396 5.037 4.640 0.000 0.000 0.210 237 D C 1.768 178.120 176.300 0.087 0.000 1.094 237 D CA 0.887 54.960 54.000 0.122 0.000 0.839 237 D CB -0.275 40.650 40.800 0.207 0.000 0.963 237 D HN 1.452 nan 8.370 nan 0.000 0.506 238 G N 0.676 109.517 108.800 0.069 0.000 2.349 238 G HA2 -0.257 3.703 3.960 0.000 0.000 0.213 238 G HA3 -0.257 3.703 3.960 0.000 0.000 0.213 238 G C 0.389 175.308 174.900 0.031 0.000 1.044 238 G CA 0.106 45.231 45.100 0.041 0.000 0.633 238 G HN 0.812 nan 8.290 nan 0.000 0.506 239 S N 1.031 116.762 115.700 0.051 0.000 2.525 239 S HA 0.433 4.903 4.470 0.000 0.000 0.285 239 S C 0.643 175.249 174.600 0.009 0.000 1.283 239 S CA 0.535 58.760 58.200 0.042 0.000 1.072 239 S CB 1.381 64.632 63.200 0.085 0.000 0.867 239 S HN 0.537 nan 8.310 nan 0.000 0.492 240 Q N 1.289 121.073 119.800 -0.027 0.000 2.265 240 Q HA 0.121 4.461 4.340 0.000 0.000 0.217 240 Q C 0.126 176.070 176.000 -0.094 0.000 0.916 240 Q CA -0.081 55.688 55.803 -0.056 0.000 0.948 240 Q CB -0.075 28.627 28.738 -0.060 0.000 1.020 240 Q HN 0.586 nan 8.270 nan 0.000 0.462 241 R N 1.052 121.483 120.500 -0.115 0.000 2.523 241 R HA -0.008 4.333 4.340 0.000 0.000 0.281 241 R C -0.723 175.416 176.300 -0.269 0.000 0.969 241 R CA 0.202 56.134 56.100 -0.281 0.000 1.093 241 R CB 0.218 30.305 30.300 -0.355 0.000 0.917 241 R HN 0.083 nan 8.270 nan 0.000 0.408 242 L N 5.752 126.748 121.223 -0.377 0.000 2.305 242 L HA 0.406 4.746 4.340 0.000 0.000 0.284 242 L C -1.394 175.263 176.870 -0.354 0.000 1.013 242 L CA -0.150 54.538 54.840 -0.253 0.000 0.819 242 L CB 0.927 42.815 42.059 -0.284 0.000 1.227 242 L HN 0.408 nan 8.230 nan 0.000 0.417 243 F N 6.129 126.011 119.950 -0.114 0.000 2.391 243 F HA 0.472 4.999 4.527 0.000 0.000 0.359 243 F C 0.276 176.056 175.800 -0.033 0.000 1.122 243 F CA -0.298 57.667 58.000 -0.059 0.000 1.120 243 F CB 0.724 39.749 39.000 0.042 0.000 1.142 243 F HN 0.262 nan 8.300 nan 0.000 0.483 244 I N 4.991 125.606 120.570 0.076 0.000 2.336 244 I HA 0.257 4.427 4.170 0.000 0.000 0.292 244 I C -0.487 175.677 176.117 0.078 0.000 0.991 244 I CA -0.568 60.746 61.300 0.024 0.000 1.227 244 I CB 1.044 39.008 38.000 -0.061 0.000 1.366 244 I HN 0.316 nan 8.210 nan 0.000 0.466 245 L N 6.401 127.663 121.223 0.065 0.000 2.292 245 L HA 0.486 4.826 4.340 0.000 0.000 0.284 245 L C -0.087 176.815 176.870 0.053 0.000 1.065 245 L CA -0.499 54.385 54.840 0.074 0.000 0.806 245 L CB 0.741 42.837 42.059 0.062 0.000 1.175 245 L HN 0.611 nan 8.230 nan 0.000 0.431 246 E N 1.901 122.151 120.200 0.084 0.000 2.195 246 E HA 0.187 4.538 4.350 0.000 0.000 0.271 246 E C 0.094 176.751 176.600 0.096 0.000 0.923 246 E CA -0.598 55.850 56.400 0.080 0.000 0.790 246 E CB 2.942 32.705 29.700 0.106 0.000 1.155 246 E HN 0.438 nan 8.360 nan 0.000 0.402 247 K N 2.185 122.625 120.400 0.068 0.000 2.057 247 K HA -0.181 4.139 4.320 0.000 0.000 0.207 247 K C 1.171 177.811 176.600 0.066 0.000 1.049 247 K CA 1.438 57.761 56.287 0.059 0.000 0.931 247 K CB 0.188 32.717 32.500 0.049 0.000 0.714 247 K HN 0.466 nan 8.250 nan 0.000 0.440 248 E N -0.982 119.285 120.200 0.112 0.000 2.333 248 E HA -0.104 4.246 4.350 0.000 0.000 0.198 248 E C 0.557 177.138 176.600 -0.031 0.000 1.007 248 E CA 0.818 57.285 56.400 0.111 0.000 0.845 248 E CB 0.053 29.900 29.700 0.244 0.000 0.766 248 E HN 0.584 nan 8.360 nan 0.000 0.507 249 G N 0.436 109.189 108.800 -0.077 0.000 2.338 249 G HA2 -0.159 3.801 3.960 0.000 0.000 0.115 249 G HA3 -0.159 3.801 3.960 0.000 0.000 0.115 249 G C -0.783 173.862 174.900 -0.425 0.000 1.053 249 G CA -0.700 44.240 45.100 -0.267 0.000 0.733 249 G HN 0.117 nan 8.290 nan 0.000 0.482 250 Y N -1.180 119.109 120.300 -0.019 0.000 2.499 250 Y HA 0.701 5.251 4.550 0.000 0.000 0.347 250 Y C 0.238 176.152 175.900 0.024 0.000 0.987 250 Y CA -1.292 56.806 58.100 -0.004 0.000 1.044 250 Y CB 2.583 41.042 38.460 -0.002 0.000 1.245 250 Y HN 0.123 nan 8.280 nan 0.000 0.461 251 V N 2.959 123.016 119.914 0.237 0.000 2.531 251 V HA 0.460 4.581 4.120 0.000 0.000 0.301 251 V C -0.657 175.624 176.094 0.313 0.000 1.034 251 V CA -1.286 61.178 62.300 0.272 0.000 0.865 251 V CB 1.687 33.726 31.823 0.360 0.000 0.995 251 V HN 0.676 nan 8.190 nan 0.000 0.424 252 K N 4.052 124.575 120.400 0.205 0.000 2.221 252 K HA 0.735 5.055 4.320 0.000 0.000 0.243 252 K C -1.150 175.451 176.600 0.001 0.000 0.968 252 K CA -0.731 55.629 56.287 0.122 0.000 0.846 252 K CB 2.644 35.158 32.500 0.022 0.000 1.141 252 K HN 0.488 nan 8.250 nan 0.000 0.434 253 I N 2.430 122.947 120.570 -0.089 0.000 2.377 253 I HA 0.214 4.384 4.170 0.000 0.000 0.293 253 I C -1.080 174.753 176.117 -0.474 0.000 0.987 253 I CA -0.959 60.103 61.300 -0.398 0.000 1.185 253 I CB 1.317 39.111 38.000 -0.343 0.000 1.341 253 I HN 0.253 nan 8.210 nan 0.000 0.455 254 L N 7.466 128.381 121.223 -0.514 0.000 2.294 254 L HA 0.413 4.754 4.340 0.000 0.000 0.283 254 L C 0.454 177.025 176.870 -0.499 0.000 1.015 254 L CA -0.125 54.439 54.840 -0.461 0.000 0.831 254 L CB 1.180 43.036 42.059 -0.338 0.000 1.217 254 L HN 0.713 nan 8.230 nan 0.000 0.420 255 T N 3.107 117.313 114.554 -0.581 0.000 2.900 255 T HA 0.246 4.597 4.350 0.000 0.000 0.307 255 T C -1.638 172.897 174.700 -0.275 0.000 1.065 255 T CA -0.891 60.928 62.100 -0.469 0.000 1.105 255 T CB 0.485 69.057 68.868 -0.493 0.000 0.979 255 T HN 0.613 nan 8.240 nan 0.000 0.544 256 P HA -0.065 nan 4.420 nan 0.000 0.221 256 P C 1.007 178.244 177.300 -0.105 0.000 1.145 256 P CA 0.908 63.935 63.100 -0.121 0.000 0.795 256 P CB 0.169 31.818 31.700 -0.085 0.000 0.775 257 E N -0.270 119.857 120.200 -0.123 0.000 2.481 257 E HA 0.169 4.519 4.350 0.000 0.000 0.195 257 E C 1.175 177.709 176.600 -0.110 0.000 1.047 257 E CA 0.618 56.960 56.400 -0.097 0.000 0.867 257 E CB -0.912 28.738 29.700 -0.083 0.000 0.858 257 E HN 0.241 nan 8.360 nan 0.000 0.513 258 G N 0.637 109.347 108.800 -0.150 0.000 2.164 258 G HA2 -0.202 3.758 3.960 0.000 0.000 0.212 258 G HA3 -0.202 3.758 3.960 0.000 0.000 0.212 258 G C -0.362 174.438 174.900 -0.167 0.000 1.031 258 G CA 0.042 45.055 45.100 -0.145 0.000 0.730 258 G HN 0.173 nan 8.290 nan 0.000 0.501 259 E N 0.054 120.113 120.200 -0.235 0.000 2.183 259 E HA 0.450 4.800 4.350 0.000 0.000 0.271 259 E C 0.226 176.622 176.600 -0.340 0.000 0.919 259 E CA -0.853 55.406 56.400 -0.235 0.000 0.781 259 E CB 1.628 31.210 29.700 -0.197 0.000 1.140 259 E HN 0.172 nan 8.360 nan 0.000 0.402 260 I N 3.591 124.026 120.570 -0.224 0.000 2.301 260 I HA 0.175 4.345 4.170 0.000 0.000 0.292 260 I C 0.497 176.561 176.117 -0.089 0.000 1.046 260 I CA -0.345 60.830 61.300 -0.208 0.000 1.282 260 I CB -0.438 37.481 38.000 -0.135 0.000 1.409 260 I HN 0.394 nan 8.210 nan 0.000 0.484 261 F N 5.823 125.701 119.950 -0.120 0.000 2.602 261 F HA -0.069 4.458 4.527 0.000 0.000 0.385 261 F C 1.858 177.622 175.800 -0.060 0.000 1.063 261 F CA -0.032 57.908 58.000 -0.101 0.000 1.233 261 F CB 0.798 39.729 39.000 -0.114 0.000 1.067 261 F HN 0.570 nan 8.300 nan 0.000 0.564 262 K N 2.250 122.747 120.400 0.161 0.000 2.044 262 K HA -0.227 4.094 4.320 0.000 0.000 0.210 262 K C 0.449 177.084 176.600 0.059 0.000 1.049 262 K CA 1.432 57.759 56.287 0.066 0.000 0.927 262 K CB 0.004 32.523 32.500 0.033 0.000 0.713 262 K HN 0.525 nan 8.250 nan 0.000 0.443 263 E N 1.297 121.534 120.200 0.062 0.000 2.259 263 E HA 0.152 4.503 4.350 0.000 0.000 0.281 263 E C -2.512 174.164 176.600 0.126 0.000 1.037 263 E CA -2.394 54.046 56.400 0.066 0.000 0.854 263 E CB 1.219 30.939 29.700 0.033 0.000 1.051 263 E HN 0.042 nan 8.360 nan 0.000 0.409 264 P HA -0.082 nan 4.420 nan 0.000 0.265 264 P C -0.341 177.099 177.300 0.232 0.000 1.193 264 P CA 0.246 63.458 63.100 0.187 0.000 0.765 264 P CB 0.305 32.136 31.700 0.220 0.000 0.823 265 Y N 4.822 125.228 120.300 0.176 0.000 2.181 265 Y HA 0.032 4.582 4.550 0.000 0.000 0.288 265 Y C 0.452 176.429 175.900 0.128 0.000 1.146 265 Y CA 1.365 59.596 58.100 0.218 0.000 1.164 265 Y CB -0.037 38.643 38.460 0.368 0.000 0.982 265 Y HN 0.240 nan 8.280 nan 0.000 0.515 266 L N 1.305 122.550 121.223 0.037 0.000 2.438 266 L HA 0.363 4.703 4.340 0.000 0.000 0.270 266 L C -1.971 174.860 176.870 -0.065 0.000 0.972 266 L CA -0.574 54.154 54.840 -0.185 0.000 0.831 266 L CB 1.730 43.628 42.059 -0.268 0.000 1.273 266 L HN 0.077 nan 8.230 nan 0.000 0.405 267 D N 5.077 125.397 120.400 -0.133 0.000 2.420 267 D HA 0.330 4.970 4.640 0.000 0.000 0.255 267 D C -0.066 176.074 176.300 -0.267 0.000 1.185 267 D CA -0.228 53.701 54.000 -0.117 0.000 0.904 267 D CB 0.633 41.498 40.800 0.109 0.000 1.102 267 D HN 0.547 nan 8.370 nan 0.000 0.534 268 I N 1.422 121.750 120.570 -0.403 0.000 3.654 268 I HA 0.259 4.429 4.170 0.000 0.000 0.337 268 I C 1.453 177.301 176.117 -0.447 0.000 1.568 268 I CA -0.650 60.393 61.300 -0.427 0.000 1.115 268 I CB 0.079 37.762 38.000 -0.527 0.000 1.300 268 I HN 0.279 nan 8.210 nan 0.000 0.471 269 H N 1.640 120.396 119.070 -0.522 0.000 2.489 269 H HA -0.011 4.545 4.556 0.000 0.000 0.293 269 H C 1.066 176.270 175.328 -0.207 0.000 1.066 269 H CA 1.144 56.925 56.048 -0.446 0.000 1.305 269 H CB -0.046 29.356 29.762 -0.601 0.000 1.386 269 H HN 0.472 nan 8.280 nan 0.000 0.551 270 K N 0.571 120.537 120.400 -0.723 0.000 2.076 270 K HA 0.062 4.382 4.320 0.000 0.000 0.204 270 K C 2.673 179.159 176.600 -0.190 0.000 1.051 270 K CA 0.778 56.819 56.287 -0.410 0.000 0.949 270 K CB 0.180 32.439 32.500 -0.402 0.000 0.726 270 K HN 0.171 nan 8.250 nan 0.000 0.443 271 L N 1.163 122.275 121.223 -0.185 0.000 2.012 271 L HA -0.106 4.234 4.340 0.000 0.000 0.210 271 L C 1.317 178.208 176.870 0.034 0.000 1.073 271 L CA 0.594 55.404 54.840 -0.050 0.000 0.748 271 L CB -0.383 41.651 42.059 -0.042 0.000 0.891 271 L HN 0.081 nan 8.230 nan 0.000 0.431 272 V N 0.283 120.163 119.914 -0.058 0.000 2.614 272 V HA 0.101 4.221 4.120 0.000 0.000 0.291 272 V C -0.020 176.099 176.094 0.043 0.000 1.049 272 V CA -0.620 61.720 62.300 0.067 0.000 1.038 272 V CB 1.278 33.090 31.823 -0.019 0.000 0.980 272 V HN 0.300 nan 8.190 nan 0.000 0.481 273 Q N 5.244 125.080 119.800 0.060 0.000 2.390 273 Q HA 0.490 4.830 4.340 0.000 0.000 0.249 273 Q C -0.130 175.872 176.000 0.003 0.000 0.996 273 Q CA 0.122 55.940 55.803 0.024 0.000 0.899 273 Q CB 0.953 29.699 28.738 0.013 0.000 1.216 273 Q HN 1.148 nan 8.270 nan 0.000 0.465 274 S N 1.857 117.569 115.700 0.020 0.000 2.745 274 S HA 0.855 5.325 4.470 0.000 0.000 0.292 274 S C 0.417 175.032 174.600 0.025 0.000 1.133 274 S CA -0.522 57.691 58.200 0.021 0.000 0.998 274 S CB 1.075 64.299 63.200 0.041 0.000 1.087 274 S HN 0.731 nan 8.310 nan 0.000 0.551 275 G N -0.207 108.612 108.800 0.031 0.000 2.441 275 G HA2 0.396 4.357 3.960 0.000 0.000 0.243 275 G HA3 0.396 4.357 3.960 0.000 0.000 0.243 275 G C 0.723 175.650 174.900 0.046 0.000 1.281 275 G CA -0.466 44.657 45.100 0.038 0.000 0.854 275 G HN 0.968 nan 8.290 nan 0.000 0.560 276 I N -1.856 118.741 120.570 0.045 0.000 3.728 276 I HA 0.345 4.515 4.170 0.000 0.000 0.307 276 I C 0.782 176.926 176.117 0.045 0.000 1.276 276 I CA 0.095 61.422 61.300 0.046 0.000 1.285 276 I CB -0.178 37.848 38.000 0.044 0.000 1.038 276 I HN 0.297 nan 8.210 nan 0.000 0.445 277 K N 0.789 121.216 120.400 0.045 0.000 1.998 277 K HA 0.696 5.016 4.320 0.000 0.000 0.250 277 K C -0.127 176.501 176.600 0.046 0.000 0.935 277 K CA -0.738 55.575 56.287 0.043 0.000 0.795 277 K CB 0.306 32.828 32.500 0.037 0.000 1.581 277 K HN 0.020 nan 8.250 nan 0.000 0.493 278 G N -1.310 107.514 108.800 0.040 0.000 2.491 278 G HA2 0.447 4.408 3.960 0.000 0.000 0.327 278 G HA3 0.447 4.408 3.960 0.000 0.000 0.327 278 G C 0.582 175.498 174.900 0.028 0.000 1.189 278 G CA -0.129 44.993 45.100 0.036 0.000 0.956 278 G HN 0.754 nan 8.290 nan 0.000 0.491 279 G N -0.272 108.543 108.800 0.025 0.000 2.302 279 G HA2 -0.291 3.669 3.960 0.000 0.000 0.263 279 G HA3 -0.291 3.669 3.960 0.000 0.000 0.263 279 G C 0.458 175.387 174.900 0.048 0.000 0.995 279 G CA 0.757 45.875 45.100 0.030 0.000 0.622 279 G HN 0.882 nan 8.290 nan 0.000 0.538 280 D N 0.963 121.392 120.400 0.049 0.000 2.336 280 D HA 0.353 4.993 4.640 0.000 0.000 0.249 280 D C 0.939 177.271 176.300 0.054 0.000 1.213 280 D CA -0.188 53.846 54.000 0.056 0.000 0.870 280 D CB 0.665 41.495 40.800 0.050 0.000 1.076 280 D HN 0.448 nan 8.370 nan 0.000 0.483 281 E N 2.797 123.036 120.200 0.064 0.000 2.403 281 E HA 0.039 4.389 4.350 0.000 0.000 0.187 281 E C 1.212 177.831 176.600 0.031 0.000 1.073 281 E CA -0.051 56.386 56.400 0.062 0.000 0.888 281 E CB 0.293 30.051 29.700 0.095 0.000 1.035 281 E HN 0.288 nan 8.360 nan 0.000 0.471 282 R N -0.887 119.613 120.500 0.001 0.000 2.317 282 R HA 0.129 4.469 4.340 0.000 0.000 0.208 282 R C 1.094 177.364 176.300 -0.051 0.000 0.914 282 R CA 0.229 56.283 56.100 -0.077 0.000 1.060 282 R CB 0.415 30.652 30.300 -0.106 0.000 1.015 282 R HN 0.145 nan 8.270 nan 0.000 0.498 283 G N 0.660 109.464 108.800 0.007 0.000 2.679 283 G HA2 0.041 4.001 3.960 0.000 0.000 0.202 283 G HA3 0.041 4.001 3.960 0.000 0.000 0.202 283 G C -0.587 174.353 174.900 0.066 0.000 1.566 283 G CA -0.537 44.582 45.100 0.032 0.000 1.074 283 G HN 0.182 nan 8.290 nan 0.000 0.564 284 L N 0.224 121.484 121.223 0.063 0.000 2.367 284 L HA 0.369 4.709 4.340 0.000 0.000 0.275 284 L C 0.805 177.725 176.870 0.083 0.000 1.129 284 L CA 0.238 55.131 54.840 0.089 0.000 0.839 284 L CB 0.675 42.748 42.059 0.024 0.000 1.133 284 L HN 0.419 nan 8.230 nan 0.000 0.453 285 L N 2.641 123.926 121.223 0.103 0.000 2.349 285 L HA 0.352 4.693 4.340 0.000 0.000 0.200 285 L C 0.820 177.729 176.870 0.064 0.000 1.064 285 L CA 0.375 55.261 54.840 0.076 0.000 0.821 285 L CB -0.051 42.052 42.059 0.073 0.000 1.027 285 L HN 0.751 nan 8.230 nan 0.000 0.476 286 S N -0.941 114.796 115.700 0.063 0.000 2.567 286 S HA 0.582 5.052 4.470 0.000 0.000 0.270 286 S C -1.838 172.774 174.600 0.020 0.000 1.152 286 S CA -0.541 57.683 58.200 0.040 0.000 0.835 286 S CB 1.613 64.832 63.200 0.032 0.000 1.115 286 S HN 0.078 nan 8.310 nan 0.000 0.459 287 L N 2.210 123.424 121.223 -0.016 0.000 2.422 287 L HA 0.925 5.265 4.340 0.000 0.000 0.264 287 L C -1.113 175.683 176.870 -0.123 0.000 0.984 287 L CA -0.559 54.222 54.840 -0.099 0.000 0.819 287 L CB 1.870 43.839 42.059 -0.150 0.000 1.330 287 L HN 0.898 nan 8.230 nan 0.000 0.410 288 A N 3.453 126.174 122.820 -0.165 0.000 2.437 288 A HA 0.667 4.988 4.320 0.000 0.000 0.293 288 A C -1.563 176.026 177.584 0.008 0.000 1.038 288 A CA -0.378 51.646 52.037 -0.022 0.000 0.708 288 A CB 0.962 19.997 19.000 0.058 0.000 1.251 288 A HN 0.492 nan 8.150 nan 0.000 0.409 289 F N 0.929 120.959 119.950 0.134 0.000 2.375 289 F HA 0.386 4.913 4.527 0.000 0.000 0.333 289 F C 1.080 177.044 175.800 0.273 0.000 1.104 289 F CA 0.201 58.261 58.000 0.101 0.000 1.149 289 F CB 0.927 39.759 39.000 -0.280 0.000 1.190 289 F HN 0.772 nan 8.300 nan 0.000 0.533 290 H N 4.040 123.351 119.070 0.401 0.000 2.897 290 H HA 0.072 4.628 4.556 0.000 0.000 0.347 290 H C -1.723 173.545 175.328 -0.101 0.000 1.068 290 H CA -0.911 55.148 56.048 0.017 0.000 1.426 290 H CB 0.877 30.747 29.762 0.180 0.000 1.410 290 H HN 0.264 nan 8.280 nan 0.000 0.597 291 P HA -0.171 nan 4.420 nan 0.000 0.219 291 P C -0.066 177.228 177.300 -0.010 0.000 1.144 291 P CA 1.442 64.349 63.100 -0.322 0.000 0.806 291 P CB 0.276 31.681 31.700 -0.492 0.000 0.771 292 N N -2.061 116.793 118.700 0.258 0.000 2.541 292 N HA 0.060 4.801 4.740 0.000 0.000 0.297 292 N C 0.629 176.291 175.510 0.252 0.000 1.503 292 N CA -0.360 52.852 53.050 0.270 0.000 0.919 292 N CB -0.282 38.346 38.487 0.235 0.000 1.305 292 N HN 0.135 nan 8.380 nan 0.000 0.501 293 Y N 1.831 122.228 120.300 0.162 0.000 2.165 293 Y HA -0.246 4.304 4.550 0.000 0.000 0.286 293 Y C 2.335 178.272 175.900 0.062 0.000 1.155 293 Y CA 1.904 60.082 58.100 0.131 0.000 1.164 293 Y CB 0.278 38.828 38.460 0.151 0.000 0.978 293 Y HN 0.041 nan 8.280 nan 0.000 0.513 294 K N 0.244 120.717 120.400 0.122 0.000 2.160 294 K HA -0.240 4.080 4.320 0.000 0.000 0.206 294 K C 1.942 178.497 176.600 -0.076 0.000 1.047 294 K CA 1.972 58.269 56.287 0.017 0.000 0.930 294 K CB -0.067 32.475 32.500 0.070 0.000 0.720 294 K HN 0.361 nan 8.250 nan 0.000 0.450 295 K N -0.333 120.035 120.400 -0.054 0.000 2.121 295 K HA -0.035 4.285 4.320 0.000 0.000 0.203 295 K C 1.436 177.969 176.600 -0.112 0.000 1.041 295 K CA 1.233 57.481 56.287 -0.065 0.000 0.969 295 K CB 0.062 32.548 32.500 -0.024 0.000 0.799 295 K HN 0.262 nan 8.250 nan 0.000 0.456 296 N N -0.407 118.216 118.700 -0.129 0.000 2.236 296 N HA 0.030 4.770 4.740 0.000 0.000 0.196 296 N C 0.474 175.866 175.510 -0.198 0.000 1.114 296 N CA 0.469 53.429 53.050 -0.149 0.000 0.859 296 N CB 0.501 38.888 38.487 -0.167 0.000 0.982 296 N HN 0.135 nan 8.380 nan 0.000 0.493 297 G N 0.695 109.268 108.800 -0.379 0.000 2.412 297 G HA2 -0.331 3.629 3.960 0.000 0.000 0.297 297 G HA3 -0.331 3.629 3.960 0.000 0.000 0.297 297 G C -0.610 174.221 174.900 -0.114 0.000 0.965 297 G CA 0.427 45.144 45.100 -0.637 0.000 1.134 297 G HN 0.514 nan 8.290 nan 0.000 0.511 298 K N -0.384 120.101 120.400 0.142 0.000 2.358 298 K HA 0.570 4.890 4.320 0.000 0.000 0.260 298 K C 0.050 176.753 176.600 0.171 0.000 0.956 298 K CA -0.918 55.434 56.287 0.109 0.000 0.834 298 K CB 1.199 33.674 32.500 -0.041 0.000 1.102 298 K HN 0.120 nan 8.250 nan 0.000 0.431 299 L N 2.800 123.960 121.223 -0.104 0.000 2.387 299 L HA 0.496 4.837 4.340 0.000 0.000 0.266 299 L C -0.781 175.663 176.870 -0.709 0.000 1.059 299 L CA -0.493 54.178 54.840 -0.282 0.000 0.801 299 L CB 0.278 42.202 42.059 -0.224 0.000 1.223 299 L HN 0.433 nan 8.230 nan 0.000 0.456 300 Y N -0.075 120.180 120.300 -0.076 0.000 2.421 300 Y HA 0.705 5.255 4.550 0.000 0.000 0.339 300 Y C -0.620 175.224 175.900 -0.095 0.000 0.996 300 Y CA -0.867 57.181 58.100 -0.088 0.000 1.046 300 Y CB 2.238 40.669 38.460 -0.048 0.000 1.226 300 Y HN 0.173 nan 8.280 nan 0.000 0.445 301 V N 2.746 122.706 119.914 0.076 0.000 2.760 301 V HA 0.628 4.749 4.120 0.000 0.000 0.309 301 V C -0.930 175.256 176.094 0.153 0.000 1.077 301 V CA -0.859 61.506 62.300 0.110 0.000 0.910 301 V CB 2.409 34.334 31.823 0.170 0.000 1.008 301 V HN 0.795 nan 8.190 nan 0.000 0.424 302 S N 4.480 120.266 115.700 0.144 0.000 2.482 302 S HA 0.944 5.414 4.470 0.000 0.000 0.303 302 S C -1.079 173.651 174.600 0.216 0.000 1.091 302 S CA -0.621 57.642 58.200 0.104 0.000 1.057 302 S CB 1.689 64.912 63.200 0.038 0.000 1.031 302 S HN 1.157 nan 8.310 nan 0.000 0.485 303 Y N -1.910 118.398 120.300 0.014 0.000 2.641 303 Y HA 0.656 5.206 4.550 0.000 0.000 0.333 303 Y C -0.828 175.069 175.900 -0.004 0.000 1.174 303 Y CA -1.216 56.884 58.100 0.000 0.000 1.057 303 Y CB 0.365 38.822 38.460 -0.006 0.000 1.322 303 Y HN 0.551 nan 8.280 nan 0.000 0.457 304 T N 2.093 116.688 114.554 0.068 0.000 2.904 304 T HA 0.572 4.922 4.350 0.000 0.000 0.290 304 T C -0.346 174.379 174.700 0.041 0.000 1.018 304 T CA 0.146 62.213 62.100 -0.056 0.000 1.075 304 T CB 1.436 70.164 68.868 -0.234 0.000 0.986 304 T HN 0.860 nan 8.240 nan 0.000 0.523 316 D N 0.268 120.636 120.400 -0.053 0.000 2.077 316 D HA -0.086 4.554 4.640 0.000 0.000 0.193 316 D C 0.211 176.509 176.300 -0.003 0.000 0.989 316 D CA 2.029 56.000 54.000 -0.048 0.000 0.831 316 D CB 0.336 41.064 40.800 -0.120 0.000 0.979 316 D HN 0.646 nan 8.370 nan 0.000 0.449 317 H N -2.212 116.843 119.070 -0.026 0.000 3.017 317 H HA 0.518 5.074 4.556 0.000 0.000 0.346 317 H C -0.739 174.567 175.328 -0.037 0.000 1.286 317 H CA -1.067 54.965 56.048 -0.026 0.000 1.120 317 H CB 0.609 30.372 29.762 0.001 0.000 1.860 317 H HN -0.081 nan 8.280 nan 0.000 0.542 318 I N 0.999 121.675 120.570 0.178 0.000 2.378 318 I HA 0.339 4.510 4.170 0.000 0.000 0.291 318 I C -0.580 175.606 176.117 0.115 0.000 0.992 318 I CA -1.112 60.245 61.300 0.095 0.000 1.154 318 I CB 1.866 39.868 38.000 0.004 0.000 1.315 318 I HN 0.469 nan 8.210 nan 0.000 0.448 319 L N 6.634 127.923 121.223 0.110 0.000 2.295 319 L HA 0.396 4.736 4.340 0.000 0.000 0.288 319 L C 0.169 177.005 176.870 -0.056 0.000 1.079 319 L CA -0.160 54.703 54.840 0.037 0.000 0.830 319 L CB 0.310 42.424 42.059 0.093 0.000 1.200 319 L HN 0.707 nan 8.230 nan 0.000 0.438 320 R N 3.584 123.953 120.500 -0.218 0.000 2.428 320 R HA 0.636 4.976 4.340 0.000 0.000 0.294 320 R C -1.456 174.701 176.300 -0.239 0.000 1.000 320 R CA -0.618 55.313 56.100 -0.282 0.000 0.960 320 R CB 1.682 31.652 30.300 -0.551 0.000 1.076 320 R HN 0.471 nan 8.270 nan 0.000 0.475 321 V N 5.149 124.998 119.914 -0.109 0.000 2.407 321 V HA 0.388 4.508 4.120 0.000 0.000 0.291 321 V C -0.697 175.374 176.094 -0.038 0.000 1.018 321 V CA -0.624 61.645 62.300 -0.051 0.000 0.842 321 V CB 1.722 33.534 31.823 -0.017 0.000 0.996 321 V HN 0.514 nan 8.190 nan 0.000 0.426 322 V N 3.760 123.634 119.914 -0.067 0.000 2.914 322 V HA 0.654 4.774 4.120 0.000 0.000 0.314 322 V C -0.411 175.489 176.094 -0.324 0.000 1.084 322 V CA -0.948 61.246 62.300 -0.178 0.000 0.963 322 V CB 2.217 33.984 31.823 -0.092 0.000 1.025 322 V HN 1.001 nan 8.190 nan 0.000 0.432 323 E N 1.807 121.657 120.200 -0.583 0.000 2.179 323 E HA 0.662 5.012 4.350 0.000 0.000 0.275 323 E C -1.939 174.311 176.600 -0.583 0.000 0.945 323 E CA -0.558 55.447 56.400 -0.659 0.000 0.792 323 E CB 1.755 30.942 29.700 -0.856 0.000 1.125 323 E HN 0.566 nan 8.360 nan 0.000 0.397 324 Y N 1.157 121.243 120.300 -0.356 0.000 2.562 324 Y HA 0.514 5.064 4.550 0.000 0.000 0.343 324 Y C -0.317 175.472 175.900 -0.186 0.000 1.025 324 Y CA -0.731 57.238 58.100 -0.219 0.000 1.082 324 Y CB 2.924 41.271 38.460 -0.188 0.000 1.264 324 Y HN 0.570 nan 8.280 nan 0.000 0.478 325 T N 1.991 116.597 114.554 0.087 0.000 2.886 325 T HA 0.484 4.834 4.350 0.000 0.000 0.292 325 T C -0.730 174.003 174.700 0.054 0.000 1.012 325 T CA -0.897 61.229 62.100 0.044 0.000 0.982 325 T CB 1.051 69.922 68.868 0.005 0.000 1.018 325 T HN 0.500 nan 8.240 nan 0.000 0.451 326 V N 1.153 121.110 119.914 0.071 0.000 3.139 326 V HA 0.337 4.457 4.120 0.000 0.000 0.307 326 V C 1.149 177.253 176.094 0.018 0.000 1.095 326 V CA -0.866 61.476 62.300 0.069 0.000 1.160 326 V CB 0.447 32.360 31.823 0.151 0.000 1.003 326 V HN 0.984 nan 8.190 nan 0.000 0.489 327 S N 2.141 117.847 115.700 0.010 0.000 2.626 327 S HA -0.011 4.459 4.470 0.000 0.000 0.303 327 S C 1.418 176.011 174.600 -0.011 0.000 1.256 327 S CA 0.310 58.508 58.200 -0.002 0.000 1.069 327 S CB -0.012 63.188 63.200 0.001 0.000 0.807 327 S HN 0.977 nan 8.310 nan 0.000 0.500 328 R N 3.583 124.069 120.500 -0.023 0.000 2.339 328 R HA 0.110 4.450 4.340 0.000 0.000 0.199 328 R C 1.110 177.389 176.300 -0.036 0.000 1.018 328 R CA 0.888 56.966 56.100 -0.037 0.000 1.036 328 R CB -0.103 30.171 30.300 -0.042 0.000 0.899 328 R HN 0.537 nan 8.270 nan 0.000 0.473 329 K N -0.329 120.055 120.400 -0.026 0.000 2.412 329 K HA 0.131 4.452 4.320 0.000 0.000 0.202 329 K C -0.234 176.353 176.600 -0.022 0.000 1.102 329 K CA -0.139 56.133 56.287 -0.025 0.000 1.027 329 K CB 0.673 33.161 32.500 -0.021 0.000 0.931 329 K HN -0.013 nan 8.250 nan 0.000 0.557 330 N N 0.884 119.574 118.700 -0.015 0.000 2.519 330 N HA 0.143 4.883 4.740 0.000 0.000 0.286 330 N C -2.476 173.028 175.510 -0.010 0.000 1.079 330 N CA -1.904 51.140 53.050 -0.011 0.000 0.878 330 N CB 1.800 40.296 38.487 0.015 0.000 1.375 330 N HN -0.219 nan 8.380 nan 0.000 0.514 331 P HA -0.038 nan 4.420 nan 0.000 0.230 331 P C 0.003 177.280 177.300 -0.037 0.000 1.158 331 P CA 1.141 64.160 63.100 -0.135 0.000 0.769 331 P CB 0.228 31.726 31.700 -0.336 0.000 0.807 332 H N -2.064 117.152 119.070 0.244 0.000 2.549 332 H HA 0.349 4.905 4.556 0.000 0.000 0.279 332 H C 0.669 176.263 175.328 0.444 0.000 1.018 332 H CA -0.186 56.064 56.048 0.336 0.000 1.175 332 H CB 0.501 30.303 29.762 0.068 0.000 1.485 332 H HN 0.142 nan 8.280 nan 0.000 0.543 333 Q N 0.935 120.950 119.800 0.357 0.000 2.359 333 Q HA 0.414 4.755 4.340 0.000 0.000 0.274 333 Q C -1.370 174.593 176.000 -0.062 0.000 1.074 333 Q CA -0.929 54.951 55.803 0.129 0.000 0.810 333 Q CB 2.965 31.741 28.738 0.065 0.000 1.342 333 Q HN 0.063 nan 8.270 nan 0.000 0.427 334 V N 2.997 122.698 119.914 -0.354 0.000 2.465 334 V HA 0.224 4.344 4.120 0.000 0.000 0.279 334 V C -0.235 175.750 176.094 -0.182 0.000 1.045 334 V CA -0.707 61.408 62.300 -0.308 0.000 0.938 334 V CB 1.237 32.738 31.823 -0.537 0.000 0.986 334 V HN 0.792 nan 8.190 nan 0.000 0.467 335 D N 4.826 125.180 120.400 -0.076 0.000 2.277 335 D HA 0.201 4.841 4.640 0.000 0.000 0.249 335 D C 0.601 176.911 176.300 0.016 0.000 1.134 335 D CA -0.457 53.521 54.000 -0.037 0.000 0.863 335 D CB 1.896 42.690 40.800 -0.010 0.000 1.143 335 D HN 0.375 nan 8.370 nan 0.000 0.458 336 L N 2.076 123.299 121.223 -0.000 0.000 2.552 336 L HA 0.034 4.374 4.340 0.000 0.000 0.227 336 L C 2.416 179.412 176.870 0.210 0.000 1.146 336 L CA 0.216 55.115 54.840 0.099 0.000 0.858 336 L CB -0.352 41.693 42.059 -0.023 0.000 0.969 336 L HN 0.259 nan 8.230 nan 0.000 0.451 337 R N -0.421 120.138 120.500 0.100 0.000 2.285 337 R HA -0.031 4.310 4.340 0.000 0.000 0.213 337 R C 1.134 177.462 176.300 0.048 0.000 1.068 337 R CA 1.118 57.255 56.100 0.062 0.000 1.004 337 R CB -0.512 29.808 30.300 0.033 0.000 0.873 337 R HN 0.300 nan 8.270 nan 0.000 0.467 338 T N 0.267 114.865 114.554 0.073 0.000 3.122 338 T HA 0.225 4.575 4.350 0.000 0.000 0.250 338 T C 0.545 175.122 174.700 -0.205 0.000 1.067 338 T CA -0.114 61.983 62.100 -0.006 0.000 0.966 338 T CB 0.449 69.337 68.868 0.034 0.000 1.002 338 T HN 0.197 nan 8.240 nan 0.000 0.542 339 A N 2.399 125.019 122.820 -0.334 0.000 2.561 339 A HA 0.247 4.567 4.320 0.000 0.000 0.251 339 A C 0.651 178.021 177.584 -0.357 0.000 1.062 339 A CA 0.283 51.909 52.037 -0.685 0.000 0.761 339 A CB -0.083 18.674 19.000 -0.405 0.000 0.986 339 A HN 0.361 nan 8.150 nan 0.000 0.510 340 R N 3.857 124.134 120.500 -0.373 0.000 2.576 340 R HA 0.359 4.700 4.340 0.000 0.000 0.283 340 R C -1.305 174.958 176.300 -0.062 0.000 1.493 340 R CA -0.393 55.593 56.100 -0.189 0.000 1.170 340 R CB 0.996 31.194 30.300 -0.169 0.000 1.189 340 R HN 0.548 nan 8.270 nan 0.000 0.542 341 V N 5.526 125.434 119.914 -0.009 0.000 2.599 341 V HA 0.017 4.137 4.120 0.000 0.000 0.300 341 V C 1.093 177.396 176.094 0.348 0.000 1.034 341 V CA 1.008 63.356 62.300 0.080 0.000 1.115 341 V CB 0.641 32.482 31.823 0.030 0.000 0.934 341 V HN 0.717 nan 8.190 nan 0.000 0.485 342 F N 3.288 123.261 119.950 0.038 0.000 2.514 342 F HA 0.388 4.915 4.527 0.000 0.000 0.281 342 F C 0.656 176.555 175.800 0.165 0.000 1.060 342 F CA -0.062 58.025 58.000 0.144 0.000 1.397 342 F CB 0.637 39.704 39.000 0.111 0.000 1.129 342 F HN 0.272 nan 8.300 nan 0.000 0.620 343 L N 0.292 121.670 121.223 0.260 0.000 2.409 343 L HA 0.404 4.744 4.340 0.000 0.000 0.262 343 L C -1.280 175.653 176.870 0.105 0.000 0.992 343 L CA -0.622 54.322 54.840 0.173 0.000 0.817 343 L CB 2.659 44.763 42.059 0.075 0.000 1.350 343 L HN -0.140 nan 8.230 nan 0.000 0.411 344 E N 2.165 122.437 120.200 0.120 0.000 2.373 344 E HA 0.328 4.678 4.350 0.000 0.000 0.251 344 E C -1.417 175.229 176.600 0.078 0.000 0.923 344 E CA -0.385 56.051 56.400 0.059 0.000 0.798 344 E CB 2.598 32.315 29.700 0.029 0.000 1.303 344 E HN 0.170 nan 8.360 nan 0.000 0.412 345 V N 2.659 122.621 119.914 0.080 0.000 2.348 345 V HA 0.330 4.451 4.120 0.000 0.000 0.270 345 V C 0.437 176.547 176.094 0.027 0.000 1.037 345 V CA -0.625 61.727 62.300 0.087 0.000 0.872 345 V CB 0.994 32.904 31.823 0.146 0.000 1.002 345 V HN 0.740 nan 8.190 nan 0.000 0.464 346 A N 4.772 127.580 122.820 -0.021 0.000 2.520 346 A HA 0.399 4.720 4.320 0.000 0.000 0.245 346 A C 0.127 177.655 177.584 -0.095 0.000 1.072 346 A CA 0.217 52.214 52.037 -0.068 0.000 0.761 346 A CB 0.045 18.995 19.000 -0.083 0.000 1.004 346 A HN 0.861 nan 8.150 nan 0.000 0.499 347 E N 1.435 121.516 120.200 -0.198 0.000 2.266 347 E HA 0.569 4.919 4.350 0.000 0.000 0.268 347 E C 0.207 176.564 176.600 -0.405 0.000 0.879 347 E CA -0.518 55.707 56.400 -0.291 0.000 0.762 347 E CB 1.550 31.041 29.700 -0.349 0.000 1.199 347 E HN 0.541 nan 8.360 nan 0.000 0.422 348 L N 2.137 123.166 121.223 -0.322 0.000 2.408 348 L HA 0.232 4.572 4.340 0.000 0.000 0.215 348 L C 0.670 177.197 176.870 -0.571 0.000 1.081 348 L CA 0.293 54.875 54.840 -0.431 0.000 0.840 348 L CB 0.080 41.854 42.059 -0.475 0.000 1.002 348 L HN 0.479 nan 8.230 nan 0.000 0.468 349 H N -0.966 118.039 119.070 -0.108 0.000 2.896 349 H HA 0.461 5.017 4.556 0.000 0.000 0.318 349 H C -0.009 175.360 175.328 0.069 0.000 1.409 349 H CA -0.701 55.328 56.048 -0.031 0.000 1.328 349 H CB 1.344 31.078 29.762 -0.047 0.000 1.940 349 H HN -0.148 nan 8.280 nan 0.000 0.665 350 R N -0.025 120.632 120.500 0.261 0.000 2.629 350 R HA 0.286 4.626 4.340 0.000 0.000 0.386 350 R C -0.190 176.223 176.300 0.189 0.000 1.071 350 R CA -0.020 56.237 56.100 0.262 0.000 1.104 350 R CB 0.774 31.196 30.300 0.203 0.000 1.370 350 R HN 0.291 nan 8.270 nan 0.000 0.574 351 K N -0.651 119.852 120.400 0.172 0.000 2.433 351 K HA 0.336 4.656 4.320 0.000 0.000 0.252 351 K C -0.802 175.973 176.600 0.292 0.000 1.015 351 K CA -1.118 55.292 56.287 0.204 0.000 0.860 351 K CB 1.579 34.172 32.500 0.156 0.000 1.359 351 K HN 0.034 nan 8.250 nan 0.000 0.452 352 H N -0.024 119.094 119.070 0.080 0.000 2.791 352 H HA -0.147 4.409 4.556 0.000 0.000 0.302 352 H C 0.493 175.881 175.328 0.101 0.000 1.198 352 H CA 0.198 56.298 56.048 0.086 0.000 1.145 352 H CB -1.772 28.040 29.762 0.083 0.000 1.385 352 H HN 0.426 nan 8.280 nan 0.000 0.409 353 L N -0.804 120.545 121.223 0.210 0.000 2.095 353 L HA 0.175 4.515 4.340 0.000 0.000 0.204 353 L C 2.177 179.127 176.870 0.132 0.000 1.080 353 L CA 2.009 56.952 54.840 0.172 0.000 0.759 353 L CB -0.526 41.629 42.059 0.159 0.000 0.914 353 L HN 0.810 nan 8.230 nan 0.000 0.439 354 G N -0.923 107.942 108.800 0.109 0.000 2.550 354 G HA2 -0.012 3.948 3.960 0.000 0.000 0.277 354 G HA3 -0.012 3.948 3.960 0.000 0.000 0.277 354 G C 0.853 175.798 174.900 0.075 0.000 1.190 354 G CA 0.136 45.286 45.100 0.085 0.000 0.971 354 G HN 1.220 nan 8.290 nan 0.000 0.559 355 G N -1.664 107.173 108.800 0.061 0.000 2.229 355 G HA2 -0.018 3.942 3.960 0.000 0.000 0.189 355 G HA3 -0.018 3.942 3.960 0.000 0.000 0.189 355 G C 0.420 175.339 174.900 0.031 0.000 1.000 355 G CA 1.204 46.332 45.100 0.046 0.000 0.663 355 G HN 1.466 nan 8.290 nan 0.000 0.493 356 Q N 0.584 120.406 119.800 0.037 0.000 2.304 356 Q HA 0.420 4.760 4.340 0.000 0.000 0.301 356 Q C -0.133 175.864 176.000 -0.004 0.000 1.063 356 Q CA 0.492 56.312 55.803 0.028 0.000 0.947 356 Q CB 0.175 28.939 28.738 0.043 0.000 1.201 356 Q HN 0.507 nan 8.270 nan 0.000 0.389 357 L N 6.065 127.273 121.223 -0.024 0.000 2.362 357 L HA 0.636 4.976 4.340 0.000 0.000 0.275 357 L C -0.849 175.961 176.870 -0.100 0.000 0.998 357 L CA -0.935 53.852 54.840 -0.087 0.000 0.820 357 L CB 1.279 43.277 42.059 -0.103 0.000 1.270 357 L HN 0.606 nan 8.230 nan 0.000 0.415 358 L N -0.722 120.407 121.223 -0.157 0.000 2.466 358 L HA 0.651 4.991 4.340 0.000 0.000 0.258 358 L C -1.519 175.233 176.870 -0.196 0.000 0.973 358 L CA -0.566 54.205 54.840 -0.115 0.000 0.826 358 L CB 2.002 44.031 42.059 -0.051 0.000 1.372 358 L HN 0.234 nan 8.230 nan 0.000 0.409 359 F N 1.249 121.229 119.950 0.050 0.000 2.385 359 F HA 0.703 5.231 4.527 0.000 0.000 0.360 359 F C 1.257 177.093 175.800 0.059 0.000 1.122 359 F CA -0.114 57.930 58.000 0.073 0.000 1.090 359 F CB 1.826 40.810 39.000 -0.025 0.000 1.150 359 F HN 0.774 nan 8.300 nan 0.000 0.472 360 G N 3.606 112.580 108.800 0.289 0.000 2.616 360 G HA2 0.433 4.394 3.960 0.000 0.000 0.268 360 G HA3 0.433 4.394 3.960 0.000 0.000 0.268 360 G C -2.654 172.353 174.900 0.179 0.000 1.213 360 G CA -1.434 43.743 45.100 0.127 0.000 0.926 360 G HN 0.293 nan 8.290 nan 0.000 0.523 361 P HA 0.087 nan 4.420 nan 0.000 0.270 361 P C 0.139 177.484 177.300 0.076 0.000 1.221 361 P CA 0.181 63.328 63.100 0.078 0.000 0.788 361 P CB 0.414 32.159 31.700 0.074 0.000 0.904 362 D N -0.128 120.259 120.400 -0.023 0.000 2.837 362 D HA -0.180 4.460 4.640 0.000 0.000 0.195 362 D C 0.982 177.007 176.300 -0.457 0.000 1.033 362 D CA 2.038 55.927 54.000 -0.184 0.000 1.021 362 D CB -1.484 39.281 40.800 -0.059 0.000 1.101 362 D HN 0.789 nan 8.370 nan 0.000 0.431 363 G N -0.247 108.421 108.800 -0.220 0.000 2.153 363 G HA2 -0.329 3.631 3.960 0.000 0.000 0.252 363 G HA3 -0.329 3.631 3.960 0.000 0.000 0.252 363 G C 0.176 175.049 174.900 -0.046 0.000 0.994 363 G CA 0.445 45.420 45.100 -0.208 0.000 0.698 363 G HN 0.374 nan 8.290 nan 0.000 0.521 364 F N -0.745 119.340 119.950 0.226 0.000 2.389 364 F HA 0.577 5.104 4.527 0.000 0.000 0.337 364 F C 0.731 176.561 175.800 0.050 0.000 1.112 364 F CA -1.353 56.705 58.000 0.095 0.000 1.192 364 F CB 1.007 39.907 39.000 -0.168 0.000 1.185 364 F HN 0.041 nan 8.300 nan 0.000 0.552 365 L N 4.773 125.983 121.223 -0.021 0.000 2.325 365 L HA 0.265 4.605 4.340 0.000 0.000 0.284 365 L C -1.262 175.344 176.870 -0.440 0.000 1.089 365 L CA -0.394 54.103 54.840 -0.572 0.000 0.836 365 L CB -0.872 40.806 42.059 -0.635 0.000 1.184 365 L HN 0.324 nan 8.230 nan 0.000 0.444 366 Y N 5.848 125.923 120.300 -0.376 0.000 2.327 366 Y HA 0.470 5.020 4.550 0.000 0.000 0.336 366 Y C 0.194 175.941 175.900 -0.256 0.000 1.035 366 Y CA -0.379 57.558 58.100 -0.271 0.000 1.165 366 Y CB 1.291 39.629 38.460 -0.202 0.000 1.181 366 Y HN 0.594 nan 8.280 nan 0.000 0.494 367 I N 4.420 124.929 120.570 -0.101 0.000 2.436 367 I HA 0.572 4.742 4.170 0.000 0.000 0.289 367 I C -1.471 174.631 176.117 -0.025 0.000 1.010 367 I CA -0.779 60.468 61.300 -0.089 0.000 1.098 367 I CB 0.880 38.789 38.000 -0.150 0.000 1.266 367 I HN 0.480 nan 8.210 nan 0.000 0.434 368 I N 8.093 128.669 120.570 0.010 0.000 2.355 368 I HA 0.405 4.575 4.170 0.000 0.000 0.288 368 I C -0.907 175.239 176.117 0.049 0.000 0.999 368 I CA -0.464 60.862 61.300 0.043 0.000 1.163 368 I CB 1.157 39.190 38.000 0.055 0.000 1.316 368 I HN 0.461 nan 8.210 nan 0.000 0.454 369 L N 5.704 126.965 121.223 0.064 0.000 2.346 369 L HA 0.664 5.004 4.340 0.000 0.000 0.276 369 L C 0.703 177.633 176.870 0.101 0.000 1.006 369 L CA -0.500 54.391 54.840 0.085 0.000 0.817 369 L CB 1.886 44.005 42.059 0.099 0.000 1.272 369 L HN 0.617 nan 8.230 nan 0.000 0.421 370 G N 0.316 109.186 108.800 0.116 0.000 2.510 370 G HA2 0.109 4.069 3.960 0.000 0.000 0.280 370 G HA3 0.109 4.069 3.960 0.000 0.000 0.280 370 G C 0.247 175.252 174.900 0.176 0.000 1.386 370 G CA -0.227 44.956 45.100 0.140 0.000 1.047 370 G HN 0.629 nan 8.290 nan 0.000 0.527 371 D N 0.080 120.626 120.400 0.243 0.000 2.106 371 D HA 0.063 4.703 4.640 0.000 0.000 0.191 371 D C 1.753 178.152 176.300 0.166 0.000 0.997 371 D CA 1.989 56.128 54.000 0.233 0.000 0.834 371 D CB -0.632 40.353 40.800 0.308 0.000 0.956 371 D HN 0.941 nan 8.370 nan 0.000 0.448 375 T N 1.859 116.431 114.554 0.029 0.000 2.902 375 T HA 0.692 5.042 4.350 0.000 0.000 0.280 375 T C 1.384 176.085 174.700 0.003 0.000 0.992 375 T CA -0.735 61.369 62.100 0.007 0.000 1.015 375 T CB 1.846 70.713 68.868 -0.003 0.000 1.044 375 T HN 0.464 nan 8.240 nan 0.000 0.520 376 L N 0.193 121.414 121.223 -0.004 0.000 2.013 376 L HA -0.113 4.227 4.340 0.000 0.000 0.212 376 L C 2.613 179.477 176.870 -0.011 0.000 1.073 376 L CA 1.637 56.472 54.840 -0.009 0.000 0.753 376 L CB -0.508 41.544 42.059 -0.011 0.000 0.890 376 L HN 0.738 nan 8.230 nan 0.000 0.432 377 D N -0.622 119.772 120.400 -0.009 0.000 2.224 377 D HA -0.077 4.563 4.640 0.000 0.000 0.205 377 D C 0.730 177.024 176.300 -0.010 0.000 0.965 377 D CA 0.655 54.649 54.000 -0.010 0.000 0.852 377 D CB -0.044 40.750 40.800 -0.009 0.000 0.947 377 D HN 0.284 nan 8.370 nan 0.000 0.494 384 G N 1.347 110.127 108.800 -0.033 0.000 2.734 384 G HA2 0.420 4.380 3.960 0.000 0.000 0.287 384 G HA3 0.420 4.380 3.960 0.000 0.000 0.287 384 G C -0.544 174.323 174.900 -0.055 0.000 0.728 384 G CA 0.494 45.568 45.100 -0.043 0.000 1.999 384 G HN 0.243 nan 8.290 nan 0.000 0.535 385 L N 1.762 122.939 121.223 -0.078 0.000 2.543 385 L HA 0.523 4.863 4.340 0.000 0.000 0.265 385 L C 0.239 177.027 176.870 -0.137 0.000 0.945 385 L CA -0.689 54.097 54.840 -0.090 0.000 0.869 385 L CB 2.088 44.106 42.059 -0.069 0.000 1.294 385 L HN 0.269 nan 8.230 nan 0.000 0.405 386 S N 2.402 118.004 115.700 -0.164 0.000 2.558 386 S HA 0.014 4.484 4.470 0.000 0.000 0.293 386 S C 0.479 174.902 174.600 -0.296 0.000 1.292 386 S CA 0.164 58.185 58.200 -0.297 0.000 1.063 386 S CB 0.229 63.299 63.200 -0.216 0.000 0.831 386 S HN 0.769 nan 8.310 nan 0.000 0.499 387 D N 3.987 124.097 120.400 -0.483 0.000 2.336 387 D HA 0.109 4.749 4.640 0.000 0.000 0.228 387 D C 0.262 176.486 176.300 -0.128 0.000 1.120 387 D CA 0.273 54.103 54.000 -0.284 0.000 0.839 387 D CB 0.058 40.712 40.800 -0.244 0.000 0.932 387 D HN 0.556 nan 8.370 nan 0.000 0.509 388 F N 0.724 120.681 119.950 0.013 0.000 2.505 388 F HA 0.011 4.538 4.527 0.000 0.000 0.289 388 F C 1.585 177.406 175.800 0.035 0.000 1.101 388 F CA -0.180 57.834 58.000 0.023 0.000 1.446 388 F CB -1.028 37.981 39.000 0.015 0.000 1.123 388 F HN -0.221 nan 8.300 nan 0.000 0.564 389 T N -0.429 114.242 114.554 0.194 0.000 2.866 389 T HA 0.369 4.719 4.350 0.000 0.000 0.293 389 T C 1.274 176.052 174.700 0.130 0.000 1.005 389 T CA 0.483 62.669 62.100 0.144 0.000 1.162 389 T CB 0.479 69.408 68.868 0.101 0.000 0.968 389 T HN 0.738 nan 8.240 nan 0.000 0.530 390 G N 2.308 111.188 108.800 0.133 0.000 2.144 390 G HA2 -0.122 3.838 3.960 0.000 0.000 0.218 390 G HA3 -0.122 3.838 3.960 0.000 0.000 0.218 390 G C 0.039 175.012 174.900 0.121 0.000 0.988 390 G CA -0.135 45.035 45.100 0.116 0.000 0.659 390 G HN 1.089 nan 8.290 nan 0.000 0.522 391 S N -1.200 114.581 115.700 0.136 0.000 2.570 391 S HA 0.698 5.168 4.470 0.000 0.000 0.286 391 S C -0.052 174.610 174.600 0.104 0.000 1.099 391 S CA -0.657 57.628 58.200 0.141 0.000 0.913 391 S CB 2.767 66.074 63.200 0.179 0.000 1.085 391 S HN 0.698 nan 8.310 nan 0.000 0.480 392 V N 3.149 123.130 119.914 0.112 0.000 2.432 392 V HA 0.315 4.435 4.120 0.000 0.000 0.271 392 V C -0.333 175.811 176.094 0.083 0.000 1.046 392 V CA -0.224 62.147 62.300 0.119 0.000 0.945 392 V CB 0.199 32.147 31.823 0.207 0.000 0.992 392 V HN 0.622 nan 8.190 nan 0.000 0.471 393 L N 5.802 127.002 121.223 -0.039 0.000 2.334 393 L HA 0.689 5.029 4.340 0.000 0.000 0.275 393 L C 0.067 176.766 176.870 -0.286 0.000 1.036 393 L CA -0.619 54.116 54.840 -0.175 0.000 0.807 393 L CB 1.543 43.392 42.059 -0.350 0.000 1.231 393 L HN 0.549 nan 8.230 nan 0.000 0.438 394 R N 3.038 123.323 120.500 -0.359 0.000 2.513 394 R HA 0.745 5.085 4.340 0.000 0.000 0.301 394 R C -1.746 174.290 176.300 -0.441 0.000 0.968 394 R CA -0.466 55.276 56.100 -0.596 0.000 0.872 394 R CB 1.254 31.018 30.300 -0.893 0.000 1.177 394 R HN 0.577 nan 8.270 nan 0.000 0.444 395 L N 2.141 123.133 121.223 -0.385 0.000 2.370 395 L HA 0.465 4.805 4.340 0.000 0.000 0.266 395 L C -0.865 176.041 176.870 0.060 0.000 1.002 395 L CA -1.216 53.497 54.840 -0.211 0.000 0.818 395 L CB 2.114 43.948 42.059 -0.375 0.000 1.325 395 L HN 0.525 nan 8.230 nan 0.000 0.418 396 D N 1.052 121.577 120.400 0.207 0.000 2.396 396 D HA 0.264 4.904 4.640 0.000 0.000 0.225 396 D C 0.506 176.983 176.300 0.295 0.000 1.121 396 D CA -0.288 53.963 54.000 0.419 0.000 0.853 396 D CB 1.866 42.948 40.800 0.470 0.000 1.043 396 D HN 0.254 nan 8.370 nan 0.000 0.500 397 V N 2.495 122.595 119.914 0.311 0.000 2.951 397 V HA -0.051 4.069 4.120 0.000 0.000 0.255 397 V C 0.378 176.672 176.094 0.334 0.000 1.088 397 V CA 0.619 63.134 62.300 0.359 0.000 1.109 397 V CB -0.352 31.726 31.823 0.425 0.000 0.724 397 V HN 0.462 nan 8.190 nan 0.000 0.471 398 D N 2.167 122.735 120.400 0.280 0.000 2.498 398 D HA 0.246 4.886 4.640 0.000 0.000 0.229 398 D C 0.370 176.773 176.300 0.172 0.000 1.188 398 D CA 0.421 54.553 54.000 0.221 0.000 1.028 398 D CB 0.050 40.952 40.800 0.170 0.000 1.087 398 D HN 0.370 nan 8.370 nan 0.000 0.510 399 T N 0.189 114.842 114.554 0.164 0.000 2.888 399 T HA 0.469 4.819 4.350 0.000 0.000 0.284 399 T C 0.011 174.769 174.700 0.096 0.000 1.017 399 T CA -1.060 61.113 62.100 0.120 0.000 1.022 399 T CB 2.199 71.128 68.868 0.102 0.000 1.013 399 T HN -0.018 nan 8.240 nan 0.000 0.465 403 N N 1.575 120.300 118.700 0.041 0.000 2.335 403 N HA 0.116 4.856 4.740 0.000 0.000 0.197 403 N C 0.519 176.006 175.510 -0.038 0.000 1.045 403 N CA 0.918 53.972 53.050 0.007 0.000 0.928 403 N CB -0.269 38.203 38.487 -0.026 0.000 1.118 403 N HN 0.304 nan 8.380 nan 0.000 0.471 404 V N 4.219 124.069 119.914 -0.108 0.000 2.530 404 V HA 0.131 4.251 4.120 0.000 0.000 0.282 404 V C -1.085 174.853 176.094 -0.260 0.000 1.048 404 V CA -0.972 61.183 62.300 -0.241 0.000 0.997 404 V CB 1.443 33.058 31.823 -0.346 0.000 0.987 404 V HN 0.247 nan 8.190 nan 0.000 0.477 405 P HA -0.041 nan 4.420 nan 0.000 0.226 405 P C -0.331 176.610 177.300 -0.598 0.000 1.153 405 P CA 1.156 64.008 63.100 -0.413 0.000 0.777 405 P CB 0.002 31.427 31.700 -0.458 0.000 0.794 406 Y N -3.628 116.363 120.300 -0.516 0.000 2.534 406 Y HA 0.722 5.272 4.550 0.000 0.000 0.345 406 Y C -0.587 175.213 175.900 -0.168 0.000 1.031 406 Y CA -1.571 56.305 58.100 -0.373 0.000 1.022 406 Y CB 0.667 38.840 38.460 -0.478 0.000 1.292 406 Y HN -0.390 nan 8.280 nan 0.000 0.459 407 S N 2.440 118.199 115.700 0.099 0.000 2.541 407 S HA 0.581 5.051 4.470 0.000 0.000 0.283 407 S C -0.554 174.138 174.600 0.153 0.000 1.196 407 S CA -0.673 57.568 58.200 0.067 0.000 1.062 407 S CB 0.411 63.669 63.200 0.096 0.000 1.009 407 S HN 0.591 nan 8.310 nan 0.000 0.502 408 I N 5.475 126.083 120.570 0.063 0.000 2.396 408 I HA 0.245 4.415 4.170 0.000 0.000 0.289 408 I C -2.086 174.090 176.117 0.099 0.000 1.056 408 I CA -1.965 59.363 61.300 0.047 0.000 1.365 408 I CB 0.932 38.905 38.000 -0.045 0.000 1.407 408 I HN 0.413 nan 8.210 nan 0.000 0.509 409 P HA 0.044 nan 4.420 nan 0.000 0.263 409 P C 0.665 178.092 177.300 0.211 0.000 1.195 409 P CA -0.074 63.003 63.100 -0.038 0.000 0.762 409 P CB 0.570 31.800 31.700 -0.783 0.000 0.799 410 R N 3.152 123.813 120.500 0.267 0.000 2.324 410 R HA -0.349 3.992 4.340 0.000 0.000 0.178 410 R C 0.856 177.053 176.300 -0.170 0.000 0.964 410 R CA 3.061 59.179 56.100 0.029 0.000 0.234 410 R CB -1.532 28.856 30.300 0.147 0.000 0.616 410 R HN 0.602 nan 8.270 nan 0.000 0.229 411 S N 0.185 115.855 115.700 -0.050 0.000 2.574 411 S HA 0.248 4.718 4.470 0.000 0.000 0.242 411 S C 0.115 174.816 174.600 0.168 0.000 0.982 411 S CA -0.625 57.578 58.200 0.005 0.000 0.977 411 S CB -0.101 63.132 63.200 0.055 0.000 0.814 411 S HN 0.354 nan 8.310 nan 0.000 0.464 412 N N 3.757 122.555 118.700 0.163 0.000 2.508 412 N HA 0.199 4.939 4.740 0.000 0.000 0.264 412 N C -2.731 172.885 175.510 0.177 0.000 1.216 412 N CA -1.169 52.016 53.050 0.224 0.000 0.943 412 N CB 0.821 39.424 38.487 0.192 0.000 1.113 412 N HN 0.218 nan 8.380 nan 0.000 0.447 413 P HA 0.082 nan 4.420 nan 0.000 0.275 413 P C -1.115 176.057 177.300 -0.214 0.000 1.227 413 P CA 0.346 63.323 63.100 -0.206 0.000 0.781 413 P CB 0.252 31.678 31.700 -0.457 0.000 0.906 414 H N -0.928 118.205 119.070 0.106 0.000 2.880 414 H HA -0.201 4.355 4.556 0.000 0.000 0.304 414 H C 0.480 175.885 175.328 0.128 0.000 1.259 414 H CA 0.291 56.399 56.048 0.099 0.000 1.153 414 H CB -2.746 27.056 29.762 0.066 0.000 1.395 414 H HN 0.380 nan 8.280 nan 0.000 0.420 415 F N 1.057 121.054 119.950 0.079 0.000 2.060 415 F HA -0.125 4.402 4.527 0.000 0.000 0.295 415 F C 2.150 177.986 175.800 0.060 0.000 1.120 415 F CA 2.160 60.195 58.000 0.059 0.000 1.205 415 F CB -0.244 38.776 39.000 0.034 0.000 0.986 415 F HN 0.335 nan 8.300 nan 0.000 0.470 416 N N -0.223 118.587 118.700 0.182 0.000 2.148 416 N HA -0.055 4.685 4.740 0.000 0.000 0.186 416 N C -0.129 175.397 175.510 0.027 0.000 1.031 416 N CA 1.049 54.127 53.050 0.046 0.000 0.848 416 N CB 0.002 38.589 38.487 0.166 0.000 1.005 416 N HN 0.437 nan 8.380 nan 0.000 0.427 417 S N -2.286 113.474 115.700 0.100 0.000 3.465 417 S HA -0.210 4.260 4.470 0.000 0.000 0.849 417 S C 0.210 174.845 174.600 0.059 0.000 1.200 417 S CA 0.895 59.159 58.200 0.107 0.000 0.947 417 S CB -1.090 62.176 63.200 0.110 0.000 0.609 417 S HN 0.491 nan 8.310 nan 0.000 0.300 418 T N 0.669 115.258 114.554 0.057 0.000 3.421 418 T HA 0.209 4.559 4.350 0.000 0.000 0.277 418 T C -0.467 174.242 174.700 0.015 0.000 0.867 418 T CA 0.761 62.878 62.100 0.028 0.000 0.957 418 T CB -0.629 68.257 68.868 0.030 0.000 1.225 418 T HN 1.420 nan 8.240 nan 0.000 0.544 419 N N 3.072 121.790 118.700 0.031 0.000 2.437 419 N HA 0.616 5.356 4.740 0.000 0.000 0.259 419 N C -1.196 174.261 175.510 -0.089 0.000 0.983 419 N CA -0.389 52.662 53.050 0.002 0.000 0.937 419 N CB 0.782 39.292 38.487 0.040 0.000 1.122 419 N HN 0.236 nan 8.380 nan 0.000 0.499 420 Q N -0.582 119.129 119.800 -0.149 0.000 3.221 420 Q HA -0.077 4.263 4.340 0.000 0.000 0.030 420 Q C -2.717 173.139 176.000 -0.240 0.000 1.702 420 Q CA -0.041 55.588 55.803 -0.291 0.000 0.246 420 Q CB -1.045 27.311 28.738 -0.636 0.000 0.584 420 Q HN 0.700 nan 8.270 nan 0.000 0.322 421 P HA 0.072 nan 4.420 nan 0.000 0.271 421 P C -1.825 175.535 177.300 0.099 0.000 1.220 421 P CA -1.061 62.070 63.100 0.052 0.000 0.768 421 P CB 0.348 32.157 31.700 0.182 0.000 0.848 422 P HA -0.190 nan 4.420 nan 0.000 0.217 422 P C 1.035 178.412 177.300 0.129 0.000 1.148 422 P CA 1.580 64.761 63.100 0.135 0.000 0.828 422 P CB 0.167 31.901 31.700 0.058 0.000 0.783 423 E N -0.379 119.884 120.200 0.105 0.000 2.106 423 E HA -0.035 4.315 4.350 0.000 0.000 0.192 423 E C 0.656 177.233 176.600 -0.039 0.000 0.984 423 E CA 0.252 56.621 56.400 -0.052 0.000 0.806 423 E CB -0.761 28.752 29.700 -0.312 0.000 0.750 423 E HN 0.036 nan 8.360 nan 0.000 0.458 424 V N 2.149 122.111 119.914 0.080 0.000 2.493 424 V HA -0.105 4.015 4.120 0.000 0.000 0.292 424 V C 0.439 176.642 176.094 0.181 0.000 1.016 424 V CA 0.572 62.949 62.300 0.127 0.000 1.097 424 V CB 0.408 32.335 31.823 0.172 0.000 0.947 424 V HN 0.173 nan 8.190 nan 0.000 0.479 425 F N 4.211 124.137 119.950 -0.040 0.000 2.559 425 F HA 0.644 5.171 4.527 0.000 0.000 0.286 425 F C 0.867 176.600 175.800 -0.112 0.000 1.108 425 F CA 0.541 58.485 58.000 -0.094 0.000 1.436 425 F CB 0.420 39.336 39.000 -0.140 0.000 1.130 425 F HN 0.538 nan 8.300 nan 0.000 0.584 426 A N -0.245 122.558 122.820 -0.027 0.000 2.604 426 A HA 0.518 4.838 4.320 0.000 0.000 0.295 426 A C -1.431 176.134 177.584 -0.033 0.000 1.067 426 A CA -0.514 51.423 52.037 -0.167 0.000 0.683 426 A CB 0.489 19.406 19.000 -0.139 0.000 1.281 426 A HN 0.481 nan 8.150 nan 0.000 0.407 427 H N -1.210 117.865 119.070 0.009 0.000 2.824 427 H HA 0.834 5.390 4.556 0.000 0.000 0.345 427 H C 0.568 175.882 175.328 -0.024 0.000 1.252 427 H CA -0.778 55.278 56.048 0.013 0.000 1.246 427 H CB 1.914 31.688 29.762 0.021 0.000 1.908 427 H HN 1.969 nan 8.280 nan 0.000 0.601 428 G N -0.197 108.726 108.800 0.205 0.000 2.296 428 G HA2 -0.194 3.766 3.960 0.000 0.000 0.188 428 G HA3 -0.194 3.766 3.960 0.000 0.000 0.188 428 G C -0.397 174.374 174.900 -0.216 0.000 1.000 428 G CA -0.187 44.924 45.100 0.019 0.000 0.672 428 G HN 0.430 nan 8.290 nan 0.000 0.483 429 L N 1.364 122.525 121.223 -0.104 0.000 2.485 429 L HA 0.481 4.821 4.340 0.000 0.000 0.275 429 L C 1.392 178.181 176.870 -0.135 0.000 1.207 429 L CA 0.827 55.597 54.840 -0.117 0.000 0.855 429 L CB 0.439 42.501 42.059 0.005 0.000 1.114 429 L HN 0.399 nan 8.230 nan 0.000 0.485 430 H N 0.272 119.364 119.070 0.037 0.000 2.398 430 H HA 0.163 4.719 4.556 0.000 0.000 0.279 430 H C -0.195 175.125 175.328 -0.014 0.000 1.114 430 H CA -0.025 56.054 56.048 0.051 0.000 1.609 430 H CB 0.700 30.483 29.762 0.035 0.000 1.460 430 H HN 0.524 nan 8.280 nan 0.000 0.608 431 D N 1.496 121.882 120.400 -0.022 0.000 2.513 431 D HA 0.183 4.823 4.640 0.000 0.000 0.295 431 D C -2.815 173.424 176.300 -0.101 0.000 1.202 431 D CA -2.298 51.544 54.000 -0.264 0.000 0.849 431 D CB 0.802 41.147 40.800 -0.758 0.000 1.116 431 D HN 0.064 nan 8.370 nan 0.000 0.502 432 P HA 0.329 nan 4.420 nan 0.000 0.284 432 P C 0.542 177.864 177.300 0.036 0.000 1.253 432 P CA -0.241 62.868 63.100 0.016 0.000 0.800 432 P CB 1.629 33.352 31.700 0.039 0.000 0.961 433 G N 2.640 111.477 108.800 0.061 0.000 2.508 433 G HA2 0.170 4.130 3.960 0.000 0.000 0.278 433 G HA3 0.170 4.130 3.960 0.000 0.000 0.278 433 G C -0.232 174.747 174.900 0.132 0.000 1.389 433 G CA -0.566 44.594 45.100 0.100 0.000 1.050 433 G HN 0.480 nan 8.290 nan 0.000 0.522 434 R N -0.318 120.288 120.500 0.175 0.000 2.446 434 R HA 0.040 4.380 4.340 0.000 0.000 0.325 434 R C -0.508 175.874 176.300 0.137 0.000 0.997 434 R CA -0.108 56.098 56.100 0.176 0.000 1.010 434 R CB -1.014 29.460 30.300 0.290 0.000 0.946 434 R HN 0.362 nan 8.270 nan 0.000 0.422 435 c N 4.259 122.925 118.600 0.111 0.000 2.576 435 c HA 0.364 4.934 4.570 0.000 0.000 0.401 435 c C 1.027 175.146 174.090 0.049 0.000 1.314 435 c CA -0.851 55.547 56.329 0.114 0.000 1.855 435 c CB -0.001 42.571 42.510 0.103 0.000 2.537 435 c HN 0.786 nan 8.230 nan 0.000 0.578 436 A N 3.559 126.391 122.820 0.020 0.000 2.477 436 A HA 0.477 4.797 4.320 0.000 0.000 0.246 436 A C -0.206 177.382 177.584 0.007 0.000 1.078 436 A CA 0.041 52.034 52.037 -0.073 0.000 0.770 436 A CB 0.165 19.079 19.000 -0.143 0.000 1.011 436 A HN 0.798 nan 8.150 nan 0.000 0.494 437 V N 3.909 123.790 119.914 -0.056 0.000 2.380 437 V HA 0.244 4.364 4.120 0.000 0.000 0.286 437 V C -0.721 175.318 176.094 -0.091 0.000 1.015 437 V CA -0.614 61.663 62.300 -0.039 0.000 0.834 437 V CB 1.494 33.296 31.823 -0.036 0.000 1.009 437 V HN 0.948 nan 8.190 nan 0.000 0.428 438 D N 3.962 124.325 120.400 -0.061 0.000 2.317 438 D HA 0.356 4.996 4.640 0.000 0.000 0.234 438 D C 0.854 177.165 176.300 0.017 0.000 1.112 438 D CA -0.415 53.502 54.000 -0.138 0.000 0.840 438 D CB 1.344 42.040 40.800 -0.174 0.000 1.078 438 D HN 0.418 nan 8.370 nan 0.000 0.486 439 R N 2.439 122.931 120.500 -0.013 0.000 2.362 439 R HA 0.138 4.478 4.340 0.000 0.000 0.227 439 R C 0.012 176.426 176.300 0.191 0.000 0.905 439 R CA -0.478 55.686 56.100 0.106 0.000 1.067 439 R CB -0.129 30.200 30.300 0.048 0.000 1.078 439 R HN 0.596 nan 8.270 nan 0.000 0.516 448 L N 0.889 122.120 121.223 0.013 0.000 2.482 448 L HA 0.732 5.072 4.340 0.000 0.000 0.263 448 L C -1.708 175.247 176.870 0.141 0.000 0.957 448 L CA 0.119 55.023 54.840 0.107 0.000 0.836 448 L CB 2.130 44.200 42.059 0.018 0.000 1.324 448 L HN 0.188 nan 8.230 nan 0.000 0.406 449 T N 5.777 120.461 114.554 0.217 0.000 2.921 449 T HA 0.570 4.920 4.350 0.000 0.000 0.297 449 T C -0.457 174.347 174.700 0.173 0.000 1.013 449 T CA -0.353 61.894 62.100 0.244 0.000 0.990 449 T CB 1.679 70.803 68.868 0.427 0.000 1.023 449 T HN 0.541 nan 8.240 nan 0.000 0.447 450 I N 1.624 122.277 120.570 0.138 0.000 2.436 450 I HA 0.727 4.897 4.170 0.000 0.000 0.289 450 I C -1.398 174.819 176.117 0.166 0.000 1.010 450 I CA -1.112 60.259 61.300 0.117 0.000 1.098 450 I CB 1.666 39.681 38.000 0.026 0.000 1.266 450 I HN 0.501 nan 8.210 nan 0.000 0.434 451 L N 6.856 128.214 121.223 0.226 0.000 2.319 451 L HA 0.591 4.931 4.340 0.000 0.000 0.281 451 L C -0.953 176.082 176.870 0.274 0.000 1.005 451 L CA -0.146 54.835 54.840 0.235 0.000 0.828 451 L CB 1.297 43.560 42.059 0.340 0.000 1.227 451 L HN 0.815 nan 8.230 nan 0.000 0.415 452 c N 2.050 120.736 118.600 0.143 0.000 2.411 452 c HA 0.623 5.193 4.570 0.000 0.000 0.330 452 c C 0.528 174.654 174.090 0.060 0.000 1.224 452 c CA -0.838 55.579 56.329 0.147 0.000 1.770 452 c CB 1.421 43.976 42.510 0.075 0.000 2.297 452 c HN 0.824 nan 8.230 nan 0.000 0.507 453 S N 1.356 117.124 115.700 0.112 0.000 2.565 453 S HA 0.515 4.986 4.470 0.000 0.000 0.274 453 S C -0.989 173.604 174.600 -0.012 0.000 1.309 453 S CA -0.129 58.057 58.200 -0.024 0.000 1.043 453 S CB 0.940 64.072 63.200 -0.115 0.000 0.939 453 S HN 0.781 nan 8.310 nan 0.000 0.504 454 D N 1.080 121.460 120.400 -0.032 0.000 2.686 454 D HA 0.392 5.032 4.640 0.000 0.000 0.249 454 D C 0.481 176.764 176.300 -0.028 0.000 1.260 454 D CA -0.535 53.450 54.000 -0.026 0.000 0.910 454 D CB 2.046 42.836 40.800 -0.017 0.000 1.323 454 D HN 0.461 nan 8.370 nan 0.000 0.561 455 S N 2.445 118.109 115.700 -0.060 0.000 2.402 455 S HA -0.123 4.347 4.470 0.000 0.000 0.229 455 S C 0.826 175.403 174.600 -0.039 0.000 1.021 455 S CA 0.490 58.650 58.200 -0.066 0.000 0.974 455 S CB -0.159 62.977 63.200 -0.106 0.000 0.800 455 S HN 0.662 nan 8.310 nan 0.000 0.484 456 N N 0.447 119.132 118.700 -0.025 0.000 2.778 456 N HA -0.210 4.530 4.740 0.000 0.000 0.249 456 N C 0.761 176.258 175.510 -0.022 0.000 1.069 456 N CA 1.017 54.068 53.050 0.002 0.000 0.831 456 N CB -1.821 36.690 38.487 0.041 0.000 1.142 456 N HN 0.607 nan 8.380 nan 0.000 0.573 457 G N 0.475 109.279 108.800 0.007 0.000 2.565 457 G HA2 -0.463 3.497 3.960 0.000 0.000 0.295 457 G HA3 -0.463 3.497 3.960 0.000 0.000 0.295 457 G C 0.777 175.688 174.900 0.018 0.000 1.165 457 G CA 0.953 46.098 45.100 0.075 0.000 0.977 457 G HN 0.413 nan 8.290 nan 0.000 0.546 458 K N 1.215 121.616 120.400 0.003 0.000 2.148 458 K HA 0.025 4.345 4.320 0.000 0.000 0.204 458 K C 1.237 177.828 176.600 -0.014 0.000 1.050 458 K CA 0.848 57.129 56.287 -0.010 0.000 0.942 458 K CB -0.245 32.244 32.500 -0.018 0.000 0.724 458 K HN 0.494 nan 8.250 nan 0.000 0.446 459 N N 0.854 119.542 118.700 -0.021 0.000 2.415 459 N HA 0.016 4.756 4.740 0.000 0.000 0.248 459 N C -0.499 175.006 175.510 -0.008 0.000 1.271 459 N CA -0.033 53.008 53.050 -0.016 0.000 0.913 459 N CB 0.527 39.000 38.487 -0.023 0.000 1.129 459 N HN -0.013 nan 8.380 nan 0.000 0.444 460 R N 0.353 120.851 120.500 -0.003 0.000 2.679 460 R HA 0.057 4.397 4.340 0.000 0.000 0.268 460 R C 0.250 176.552 176.300 0.003 0.000 1.044 460 R CA -0.201 55.899 56.100 0.000 0.000 1.105 460 R CB 0.267 30.568 30.300 0.002 0.000 0.989 460 R HN 0.645 nan 8.270 nan 0.000 0.447 461 S N 0.970 116.675 115.700 0.008 0.000 2.576 461 S HA 0.209 4.679 4.470 0.000 0.000 0.276 461 S C 0.224 174.840 174.600 0.026 0.000 1.339 461 S CA -0.465 57.744 58.200 0.015 0.000 1.039 461 S CB 1.189 64.392 63.200 0.005 0.000 0.902 461 S HN 0.656 nan 8.310 nan 0.000 0.516 462 S N 1.628 117.325 115.700 -0.005 0.000 2.851 462 S HA 0.899 5.369 4.470 0.000 0.000 0.317 462 S C -0.735 173.757 174.600 -0.180 0.000 1.144 462 S CA -0.668 57.459 58.200 -0.121 0.000 0.862 462 S CB 1.151 64.263 63.200 -0.146 0.000 1.259 462 S HN 1.755 nan 8.310 nan 0.000 0.564 463 A N 0.840 123.325 122.820 -0.557 0.000 2.359 463 A HA 0.784 5.104 4.320 0.000 0.000 0.303 463 A C -0.556 176.564 177.584 -0.772 0.000 1.066 463 A CA -0.969 50.635 52.037 -0.722 0.000 0.730 463 A CB 1.011 19.234 19.000 -1.297 0.000 1.211 463 A HN 0.729 nan 8.150 nan 0.000 0.439 464 R N 2.075 122.361 120.500 -0.356 0.000 2.514 464 R HA 0.667 5.007 4.340 0.000 0.000 0.301 464 R C -1.229 175.052 176.300 -0.032 0.000 0.962 464 R CA -0.506 55.499 56.100 -0.158 0.000 0.882 464 R CB 2.198 32.451 30.300 -0.079 0.000 1.143 464 R HN 0.698 nan 8.270 nan 0.000 0.452 465 I N 3.289 123.917 120.570 0.096 0.000 2.465 465 I HA 0.314 4.484 4.170 0.000 0.000 0.291 465 I C -1.522 174.669 176.117 0.123 0.000 1.014 465 I CA -1.331 60.051 61.300 0.137 0.000 1.093 465 I CB 1.846 39.963 38.000 0.195 0.000 1.267 465 I HN 0.441 nan 8.210 nan 0.000 0.431 466 L N 7.521 128.820 121.223 0.128 0.000 2.325 466 L HA 0.511 4.851 4.340 0.000 0.000 0.281 466 L C -1.106 175.858 176.870 0.157 0.000 1.004 466 L CA 0.083 55.000 54.840 0.129 0.000 0.823 466 L CB 1.651 43.795 42.059 0.143 0.000 1.236 466 L HN 0.613 nan 8.230 nan 0.000 0.415 467 Q N 4.522 124.414 119.800 0.154 0.000 2.337 467 Q HA 0.693 5.033 4.340 0.000 0.000 0.266 467 Q C -1.403 174.722 176.000 0.208 0.000 1.023 467 Q CA -0.450 55.454 55.803 0.169 0.000 0.829 467 Q CB 2.613 31.441 28.738 0.150 0.000 1.306 467 Q HN 0.650 nan 8.270 nan 0.000 0.449 468 I N 2.997 123.695 120.570 0.213 0.000 2.466 468 I HA 0.421 4.591 4.170 0.000 0.000 0.289 468 I C -0.653 175.586 176.117 0.204 0.000 1.026 468 I CA -0.344 61.139 61.300 0.305 0.000 1.078 468 I CB 1.648 39.841 38.000 0.322 0.000 1.249 468 I HN 0.554 nan 8.210 nan 0.000 0.429 469 I N 4.170 124.872 120.570 0.219 0.000 3.775 469 I HA 0.324 4.494 4.170 0.000 0.000 0.272 469 I C 0.428 176.596 176.117 0.085 0.000 1.292 469 I CA -1.037 60.324 61.300 0.101 0.000 1.050 469 I CB 1.240 39.276 38.000 0.061 0.000 1.422 469 I HN 0.479 nan 8.210 nan 0.000 0.561 470 K N 1.435 121.857 120.400 0.036 0.000 2.245 470 K HA 0.089 4.409 4.320 0.000 0.000 0.281 470 K C 0.586 177.200 176.600 0.023 0.000 1.079 470 K CA 0.869 57.175 56.287 0.032 0.000 1.000 470 K CB -0.499 32.008 32.500 0.013 0.000 1.038 470 K HN 0.879 nan 8.250 nan 0.000 0.430 471 G N 3.579 112.417 108.800 0.063 0.000 2.256 471 G HA2 -0.378 3.582 3.960 0.000 0.000 0.279 471 G HA3 -0.378 3.582 3.960 0.000 0.000 0.279 471 G C 0.178 175.069 174.900 -0.015 0.000 0.998 471 G CA 0.971 46.108 45.100 0.061 0.000 0.720 471 G HN 0.690 nan 8.290 nan 0.000 0.521 472 K N 0.712 121.054 120.400 -0.096 0.000 2.484 472 K HA 0.159 4.479 4.320 0.000 0.000 0.280 472 K C -0.518 175.850 176.600 -0.387 0.000 1.013 472 K CA -0.107 56.019 56.287 -0.269 0.000 1.029 472 K CB 0.275 32.540 32.500 -0.391 0.000 0.902 472 K HN 0.079 nan 8.250 nan 0.000 0.481 473 D N 3.874 124.097 120.400 -0.295 0.000 2.317 473 D HA 0.096 4.736 4.640 0.000 0.000 0.252 473 D C -0.731 175.400 176.300 -0.282 0.000 1.174 473 D CA 0.185 54.050 54.000 -0.226 0.000 0.866 473 D CB 0.375 41.083 40.800 -0.153 0.000 1.127 473 D HN 0.346 nan 8.370 nan 0.000 0.467 474 Y N 1.023 121.298 120.300 -0.042 0.000 2.334 474 Y HA 0.188 4.739 4.550 0.000 0.000 0.328 474 Y C 1.525 177.362 175.900 -0.105 0.000 1.130 474 Y CA -0.435 57.618 58.100 -0.079 0.000 1.163 474 Y CB 1.604 39.996 38.460 -0.113 0.000 1.207 474 Y HN 0.228 nan 8.280 nan 0.000 0.471 475 E N 0.305 120.527 120.200 0.037 0.000 2.536 475 E HA 0.187 4.537 4.350 0.000 0.000 0.220 475 E C -0.523 176.016 176.600 -0.101 0.000 0.876 475 E CA 0.219 56.596 56.400 -0.039 0.000 1.190 475 E CB 0.789 30.478 29.700 -0.018 0.000 1.191 475 E HN 0.511 nan 8.360 nan 0.000 0.557 476 S N 1.001 116.664 115.700 -0.061 0.000 2.509 476 S HA 0.318 4.789 4.470 0.000 0.000 0.297 476 S C -0.266 174.237 174.600 -0.162 0.000 1.118 476 S CA -0.592 57.549 58.200 -0.099 0.000 1.074 476 S CB 1.876 65.054 63.200 -0.037 0.000 1.038 476 S HN 0.033 nan 8.310 nan 0.000 0.498 477 E N 2.463 122.507 120.200 -0.260 0.000 2.467 477 E HA 0.045 4.396 4.350 0.000 0.000 0.264 477 E C -2.218 174.135 176.600 -0.411 0.000 1.020 477 E CA -0.961 55.188 56.400 -0.418 0.000 0.945 477 E CB -0.026 29.456 29.700 -0.363 0.000 0.942 477 E HN 0.259 nan 8.360 nan 0.000 0.449 478 P HA 0.023 nan 4.420 nan 0.000 0.271 478 P C -0.933 176.194 177.300 -0.287 0.000 1.216 478 P CA -0.028 62.809 63.100 -0.439 0.000 0.776 478 P CB 0.775 32.108 31.700 -0.611 0.000 0.881 479 S N 1.877 117.493 115.700 -0.139 0.000 2.531 479 S HA 0.152 4.622 4.470 0.000 0.000 0.279 479 S C 0.234 174.801 174.600 -0.055 0.000 1.305 479 S CA -0.278 57.868 58.200 -0.089 0.000 1.058 479 S CB -0.153 63.029 63.200 -0.031 0.000 0.899 479 S HN 0.374 nan 8.310 nan 0.000 0.493 480 L N 5.641 126.835 121.223 -0.048 0.000 2.352 480 L HA 0.440 4.780 4.340 0.000 0.000 0.272 480 L C -0.515 176.372 176.870 0.028 0.000 1.109 480 L CA -0.266 54.572 54.840 -0.003 0.000 0.952 480 L CB 0.016 42.067 42.059 -0.014 0.000 1.314 480 L HN 0.607 nan 8.230 nan 0.000 0.427 481 L N 3.649 124.910 121.223 0.063 0.000 2.410 481 L HA 0.198 4.538 4.340 0.000 0.000 0.273 481 L C 0.315 177.277 176.870 0.152 0.000 1.144 481 L CA 0.479 55.378 54.840 0.097 0.000 0.863 481 L CB 0.477 42.599 42.059 0.104 0.000 1.140 481 L HN 0.598 nan 8.230 nan 0.000 0.463 482 E N 4.975 125.243 120.200 0.113 0.000 2.216 482 E HA 0.434 4.784 4.350 0.000 0.000 0.279 482 E C -1.535 175.169 176.600 0.174 0.000 0.997 482 E CA -0.658 55.776 56.400 0.058 0.000 0.817 482 E CB 1.003 30.697 29.700 -0.011 0.000 1.096 482 E HN 0.455 nan 8.360 nan 0.000 0.393 483 F N 0.408 120.271 119.950 -0.146 0.000 2.654 483 F HA 0.507 5.035 4.527 0.000 0.000 0.308 483 F C -1.331 174.330 175.800 -0.232 0.000 1.108 483 F CA -1.252 56.651 58.000 -0.161 0.000 0.957 483 F CB 1.043 39.942 39.000 -0.167 0.000 1.309 483 F HN 0.152 nan 8.300 nan 0.000 0.446 484 K N 2.594 122.907 120.400 -0.145 0.000 2.499 484 K HA 0.335 4.655 4.320 0.000 0.000 0.215 484 K C -2.249 174.199 176.600 -0.253 0.000 1.041 484 K CA -1.319 54.814 56.287 -0.256 0.000 1.031 484 K CB 1.029 33.462 32.500 -0.113 0.000 1.479 484 K HN 0.483 nan 8.250 nan 0.000 0.518 485 P HA 0.110 nan 4.420 nan 0.000 0.267 485 P C -0.594 176.448 177.300 -0.430 0.000 1.289 485 P CA -0.041 62.804 63.100 -0.424 0.000 0.866 485 P CB 0.319 31.742 31.700 -0.462 0.000 1.309 486 F N -0.079 119.802 119.950 -0.115 0.000 2.432 486 F HA 0.418 4.945 4.527 0.000 0.000 0.329 486 F C 1.678 177.440 175.800 -0.062 0.000 1.076 486 F CA -0.699 57.238 58.000 -0.106 0.000 1.018 486 F CB 1.231 40.132 39.000 -0.166 0.000 1.201 486 F HN -0.302 nan 8.300 nan 0.000 0.489 487 S N -0.291 115.509 115.700 0.166 0.000 2.818 487 S HA -0.073 4.398 4.470 0.000 0.000 0.251 487 S C 1.718 176.351 174.600 0.055 0.000 1.083 487 S CA 0.076 58.326 58.200 0.082 0.000 0.871 487 S CB -0.136 63.104 63.200 0.065 0.000 0.831 487 S HN 0.768 nan 8.310 nan 0.000 0.470 488 N N 2.631 121.359 118.700 0.046 0.000 2.309 488 N HA 0.091 4.831 4.740 0.000 0.000 0.182 488 N C 0.936 176.443 175.510 -0.004 0.000 1.018 488 N CA 1.617 54.676 53.050 0.015 0.000 0.876 488 N CB -0.154 38.335 38.487 0.003 0.000 0.972 488 N HN 0.494 nan 8.380 nan 0.000 0.434 489 G N 0.306 109.099 108.800 -0.012 0.000 2.331 489 G HA2 -0.072 3.888 3.960 0.000 0.000 0.479 489 G HA3 -0.072 3.888 3.960 0.000 0.000 0.479 489 G C -2.987 171.872 174.900 -0.069 0.000 1.262 489 G CA -0.485 44.598 45.100 -0.028 0.000 1.029 489 G HN 0.244 nan 8.290 nan 0.000 0.487 490 P HA 0.407 nan 4.420 nan 0.000 0.266 490 P C -0.345 176.886 177.300 -0.115 0.000 1.193 490 P CA 0.303 63.352 63.100 -0.085 0.000 0.770 490 P CB 0.476 32.144 31.700 -0.054 0.000 0.836 491 L N 1.751 122.893 121.223 -0.136 0.000 2.381 491 L HA 0.278 4.618 4.340 0.000 0.000 0.268 491 L C 1.734 178.604 176.870 -0.001 0.000 0.997 491 L CA -1.045 53.729 54.840 -0.110 0.000 0.818 491 L CB 1.945 43.863 42.059 -0.235 0.000 1.310 491 L HN 0.053 nan 8.230 nan 0.000 0.416 492 V N 1.241 121.196 119.914 0.068 0.000 2.343 492 V HA 0.069 4.190 4.120 0.000 0.000 0.247 492 V C 1.088 177.331 176.094 0.249 0.000 1.051 492 V CA 1.803 64.177 62.300 0.123 0.000 1.036 492 V CB -0.701 31.162 31.823 0.066 0.000 0.654 492 V HN 1.045 nan 8.190 nan 0.000 0.451 493 G N -2.307 106.711 108.800 0.362 0.000 2.351 493 G HA2 0.507 4.467 3.960 0.000 0.000 0.279 493 G HA3 0.507 4.467 3.960 0.000 0.000 0.279 493 G C -0.601 174.313 174.900 0.022 0.000 1.297 493 G CA 0.009 45.307 45.100 0.330 0.000 0.886 493 G HN 0.793 nan 8.290 nan 0.000 0.493 494 G N -1.627 106.867 108.800 -0.509 0.000 2.645 494 G HA2 0.987 4.947 3.960 0.000 0.000 0.292 494 G HA3 0.987 4.947 3.960 0.000 0.000 0.292 494 G C -1.269 173.119 174.900 -0.853 0.000 1.415 494 G CA 0.181 44.450 45.100 -1.385 0.000 0.785 494 G HN 1.787 nan 8.290 nan 0.000 0.483 495 F N -2.027 117.438 119.950 -0.809 0.000 2.662 495 F HA 0.753 5.280 4.527 0.000 0.000 0.312 495 F C -0.992 174.550 175.800 -0.429 0.000 1.113 495 F CA -1.538 56.170 58.000 -0.488 0.000 0.951 495 F CB 1.730 40.508 39.000 -0.370 0.000 1.344 495 F HN 0.363 nan 8.300 nan 0.000 0.462 496 V N 2.388 122.192 119.914 -0.183 0.000 2.311 496 V HA 0.181 4.301 4.120 0.000 0.000 0.275 496 V C -0.866 175.184 176.094 -0.073 0.000 1.022 496 V CA -0.662 61.430 62.300 -0.346 0.000 0.830 496 V CB 0.602 32.046 31.823 -0.632 0.000 1.012 496 V HN 0.769 nan 8.190 nan 0.000 0.452 497 Y N 6.329 126.600 120.300 -0.050 0.000 2.496 497 Y HA 0.280 4.830 4.550 0.000 0.000 0.334 497 Y C 1.095 176.907 175.900 -0.146 0.000 1.080 497 Y CA 0.155 58.259 58.100 0.006 0.000 1.355 497 Y CB 0.283 38.789 38.460 0.076 0.000 1.193 497 Y HN 0.572 nan 8.280 nan 0.000 0.523 498 R N 4.704 124.782 120.500 -0.704 0.000 2.668 498 R HA 0.233 4.574 4.340 0.000 0.000 0.435 498 R C 0.579 176.595 176.300 -0.473 0.000 1.059 498 R CA 0.017 55.777 56.100 -0.566 0.000 1.073 498 R CB 0.621 30.713 30.300 -0.347 0.000 1.401 498 R HN 0.864 nan 8.270 nan 0.000 0.590 499 G N -0.275 107.822 108.800 -1.173 0.000 2.516 499 G HA2 0.033 3.993 3.960 0.000 0.000 0.276 499 G HA3 0.033 3.993 3.960 0.000 0.000 0.276 499 G C 0.548 175.354 174.900 -0.157 0.000 1.390 499 G CA -0.261 44.498 45.100 -0.568 0.000 1.050 499 G HN 0.267 nan 8.290 nan 0.000 0.519 500 c N -2.453 116.159 118.600 0.021 0.000 2.800 500 c HA 0.229 4.799 4.570 0.000 0.000 0.379 500 c C 2.369 176.528 174.090 0.115 0.000 1.304 500 c CA 0.573 56.929 56.329 0.045 0.000 1.960 500 c CB -0.599 41.906 42.510 -0.009 0.000 2.599 500 c HN 0.724 nan 8.230 nan 0.000 0.578 501 Q N 1.063 120.957 119.800 0.158 0.000 2.124 501 Q HA -0.069 4.271 4.340 0.000 0.000 0.202 501 Q C 0.955 177.040 176.000 0.143 0.000 0.977 501 Q CA 1.383 57.257 55.803 0.118 0.000 0.850 501 Q CB -0.279 28.511 28.738 0.086 0.000 0.901 501 Q HN 0.600 nan 8.270 nan 0.000 0.429 502 S N 0.280 116.138 115.700 0.263 0.000 2.438 502 S HA 0.146 4.616 4.470 0.000 0.000 0.293 502 S C 0.542 175.311 174.600 0.281 0.000 1.141 502 S CA -0.414 57.911 58.200 0.208 0.000 1.080 502 S CB 1.121 64.364 63.200 0.073 0.000 0.978 502 S HN 0.226 nan 8.310 nan 0.000 0.479 503 E N 3.709 124.007 120.200 0.163 0.000 2.028 503 E HA -0.136 4.214 4.350 0.000 0.000 0.190 503 E C 2.095 178.819 176.600 0.206 0.000 0.984 503 E CA 0.971 57.458 56.400 0.144 0.000 0.800 503 E CB 0.025 29.765 29.700 0.066 0.000 0.758 503 E HN 0.801 nan 8.360 nan 0.000 0.448 504 R N 0.710 121.312 120.500 0.170 0.000 2.096 504 R HA -0.048 4.293 4.340 0.000 0.000 0.235 504 R C 2.268 178.709 176.300 0.235 0.000 1.127 504 R CA 0.936 57.142 56.100 0.178 0.000 0.968 504 R CB -0.538 29.841 30.300 0.132 0.000 0.861 504 R HN 0.146 nan 8.270 nan 0.000 0.440 505 L N 0.658 122.034 121.223 0.256 0.000 2.552 505 L HA 0.059 4.399 4.340 0.000 0.000 0.227 505 L C 0.210 177.309 176.870 0.381 0.000 1.146 505 L CA -0.075 54.869 54.840 0.174 0.000 0.858 505 L CB -0.119 41.799 42.059 -0.234 0.000 0.969 505 L HN 0.186 nan 8.230 nan 0.000 0.451 506 Y N 0.531 121.038 120.300 0.345 0.000 2.721 506 Y HA 0.180 4.731 4.550 0.000 0.000 0.329 506 Y C 1.333 177.338 175.900 0.174 0.000 1.211 506 Y CA 0.955 59.227 58.100 0.286 0.000 1.512 506 Y CB 0.405 38.959 38.460 0.157 0.000 1.249 506 Y HN 0.281 nan 8.280 nan 0.000 0.549 507 G N 3.052 111.563 108.800 -0.482 0.000 2.179 507 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 507 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 507 G C 0.064 174.921 174.900 -0.073 0.000 0.977 507 G CA 0.291 45.176 45.100 -0.358 0.000 0.641 507 G HN 0.767 nan 8.290 nan 0.000 0.533 508 S N 0.351 116.072 115.700 0.034 0.000 2.545 508 S HA 0.589 5.059 4.470 0.000 0.000 0.275 508 S C -0.212 174.432 174.600 0.074 0.000 1.299 508 S CA -0.491 57.785 58.200 0.127 0.000 1.048 508 S CB 0.836 64.098 63.200 0.103 0.000 0.938 508 S HN 0.273 nan 8.310 nan 0.000 0.496 509 Y N 1.335 121.657 120.300 0.036 0.000 2.359 509 Y HA 0.364 4.914 4.550 0.000 0.000 0.334 509 Y C 0.207 176.031 175.900 -0.127 0.000 1.058 509 Y CA -0.674 57.413 58.100 -0.021 0.000 1.244 509 Y CB 0.296 38.891 38.460 0.225 0.000 1.187 509 Y HN 0.285 nan 8.280 nan 0.000 0.510 510 V N 5.736 125.377 119.914 -0.456 0.000 2.444 510 V HA 0.401 4.522 4.120 0.000 0.000 0.294 510 V C -0.616 174.972 176.094 -0.842 0.000 1.022 510 V CA -1.143 60.795 62.300 -0.604 0.000 0.850 510 V CB 0.834 32.020 31.823 -1.062 0.000 0.992 510 V HN 0.483 nan 8.190 nan 0.000 0.426 511 F N 2.031 121.803 119.950 -0.298 0.000 2.492 511 F HA 0.849 5.376 4.527 0.000 0.000 0.327 511 F C 0.784 176.473 175.800 -0.185 0.000 1.079 511 F CA -0.481 57.348 58.000 -0.286 0.000 0.967 511 F CB 2.367 41.211 39.000 -0.259 0.000 1.169 511 F HN 0.575 nan 8.300 nan 0.000 0.472 512 G N 1.318 110.112 108.800 -0.011 0.000 2.662 512 G HA2 0.458 4.418 3.960 0.000 0.000 0.302 512 G HA3 0.458 4.418 3.960 0.000 0.000 0.302 512 G C -1.795 173.044 174.900 -0.101 0.000 1.389 512 G CA -0.692 44.250 45.100 -0.263 0.000 0.998 512 G HN 0.565 nan 8.290 nan 0.000 0.502 513 D N 0.406 120.677 120.400 -0.215 0.000 2.423 513 D HA 0.122 4.762 4.640 0.000 0.000 0.255 513 D C 1.378 177.637 176.300 -0.069 0.000 1.174 513 D CA -0.877 53.058 54.000 -0.109 0.000 1.008 513 D CB 1.253 41.992 40.800 -0.102 0.000 1.101 513 D HN 0.391 nan 8.370 nan 0.000 0.516 514 R N -0.192 120.297 120.500 -0.018 0.000 2.105 514 R HA -0.160 4.180 4.340 0.000 0.000 0.239 514 R C 1.377 177.749 176.300 0.119 0.000 1.135 514 R CA 1.245 57.368 56.100 0.038 0.000 0.967 514 R CB -0.194 30.117 30.300 0.018 0.000 0.861 514 R HN 0.554 nan 8.270 nan 0.000 0.442 515 N N -0.617 118.131 118.700 0.080 0.000 2.270 515 N HA -0.007 4.733 4.740 0.000 0.000 0.198 515 N C -0.282 175.334 175.510 0.177 0.000 1.117 515 N CA 0.699 53.814 53.050 0.108 0.000 0.845 515 N CB 0.637 39.138 38.487 0.024 0.000 0.980 515 N HN 0.432 nan 8.380 nan 0.000 0.486 516 G N 1.484 110.403 108.800 0.199 0.000 2.248 516 G HA2 -0.208 3.753 3.960 0.000 0.000 0.263 516 G HA3 -0.208 3.753 3.960 0.000 0.000 0.263 516 G C -0.714 174.205 174.900 0.032 0.000 1.082 516 G CA -0.411 44.828 45.100 0.231 0.000 0.863 516 G HN 0.370 nan 8.290 nan 0.000 0.495 517 N N -0.255 118.353 118.700 -0.154 0.000 2.426 517 N HA 0.617 5.358 4.740 0.000 0.000 0.275 517 N C -0.485 174.884 175.510 -0.236 0.000 1.019 517 N CA 0.096 53.104 53.050 -0.069 0.000 0.941 517 N CB 0.866 39.336 38.487 -0.030 0.000 1.123 517 N HN 0.135 nan 8.380 nan 0.000 0.486 518 F N 1.519 121.522 119.950 0.089 0.000 2.492 518 F HA 0.529 5.056 4.527 0.000 0.000 0.327 518 F C 0.569 176.395 175.800 0.044 0.000 1.079 518 F CA -0.698 57.334 58.000 0.053 0.000 0.967 518 F CB 1.461 40.474 39.000 0.021 0.000 1.169 518 F HN 0.049 nan 8.300 nan 0.000 0.472 519 L N 0.811 122.167 121.223 0.223 0.000 2.279 519 L HA 0.720 5.060 4.340 0.000 0.000 0.262 519 L C -0.692 176.284 176.870 0.177 0.000 1.019 519 L CA -0.778 54.175 54.840 0.188 0.000 0.823 519 L CB 2.597 44.775 42.059 0.199 0.000 1.358 519 L HN 0.503 nan 8.230 nan 0.000 0.432 520 T N 1.842 116.512 114.554 0.193 0.000 2.879 520 T HA 0.455 4.806 4.350 0.000 0.000 0.290 520 T C -0.553 174.309 174.700 0.269 0.000 0.993 520 T CA -0.419 61.803 62.100 0.204 0.000 0.975 520 T CB 1.512 70.470 68.868 0.150 0.000 0.981 520 T HN 0.260 nan 8.240 nan 0.000 0.439 521 L N 3.474 124.913 121.223 0.359 0.000 2.259 521 L HA 0.397 4.737 4.340 0.000 0.000 0.288 521 L C 0.308 177.393 176.870 0.358 0.000 1.051 521 L CA -0.345 54.714 54.840 0.365 0.000 0.824 521 L CB 1.002 43.264 42.059 0.340 0.000 1.206 521 L HN 0.525 nan 8.230 nan 0.000 0.429 522 Q N 3.996 123.941 119.800 0.242 0.000 2.290 522 Q HA 0.227 4.567 4.340 0.000 0.000 0.259 522 Q C -0.815 175.116 176.000 -0.116 0.000 0.941 522 Q CA -0.487 55.372 55.803 0.092 0.000 0.912 522 Q CB 1.997 30.773 28.738 0.063 0.000 1.244 522 Q HN 0.526 nan 8.270 nan 0.000 0.441 523 Q N 2.034 121.553 119.800 -0.469 0.000 2.274 523 Q HA 0.184 4.524 4.340 0.000 0.000 0.256 523 Q C -0.744 174.969 176.000 -0.477 0.000 0.927 523 Q CA -0.180 55.068 55.803 -0.925 0.000 0.939 523 Q CB 1.339 29.071 28.738 -1.677 0.000 1.201 523 Q HN 0.637 nan 8.270 nan 0.000 0.426 524 S N 5.537 121.004 115.700 -0.389 0.000 2.525 524 S HA 0.113 4.583 4.470 0.000 0.000 0.285 524 S C -1.493 172.969 174.600 -0.229 0.000 1.283 524 S CA -1.184 56.877 58.200 -0.233 0.000 1.072 524 S CB 0.675 63.769 63.200 -0.177 0.000 0.867 524 S HN 0.617 nan 8.310 nan 0.000 0.492 525 P HA -0.125 nan 4.420 nan 0.000 0.216 525 P C 1.585 178.824 177.300 -0.101 0.000 1.150 525 P CA 1.419 64.449 63.100 -0.116 0.000 0.837 525 P CB -0.387 31.272 31.700 -0.067 0.000 0.786 526 V N -1.519 118.340 119.914 -0.090 0.000 2.407 526 V HA -0.068 4.052 4.120 0.000 0.000 0.245 526 V C 2.283 178.328 176.094 -0.081 0.000 1.041 526 V CA 2.364 64.622 62.300 -0.071 0.000 1.040 526 V CB -2.423 29.369 31.823 -0.052 0.000 0.671 526 V HN 0.216 nan 8.190 nan 0.000 0.455 527 T N -5.081 109.409 114.554 -0.107 0.000 3.023 527 T HA 0.227 4.578 4.350 0.000 0.000 0.253 527 T C 1.098 175.710 174.700 -0.147 0.000 1.038 527 T CA 0.193 62.229 62.100 -0.106 0.000 0.962 527 T CB 0.149 68.962 68.868 -0.091 0.000 1.018 527 T HN 0.301 nan 8.240 nan 0.000 0.521 528 K N -0.049 120.228 120.400 -0.205 0.000 3.495 528 K HA -0.216 4.104 4.320 0.000 0.000 0.315 528 K C 0.350 176.702 176.600 -0.414 0.000 1.301 528 K CA 0.979 57.093 56.287 -0.289 0.000 0.985 528 K CB -1.543 30.846 32.500 -0.185 0.000 1.244 528 K HN 0.710 nan 8.250 nan 0.000 0.433 529 Q N -0.741 118.862 119.800 -0.328 0.000 2.382 529 Q HA 0.285 4.625 4.340 0.000 0.000 0.229 529 Q C -0.572 175.167 176.000 -0.435 0.000 1.006 529 Q CA -0.317 55.314 55.803 -0.288 0.000 0.916 529 Q CB 0.564 29.225 28.738 -0.128 0.000 1.235 529 Q HN 0.172 nan 8.270 nan 0.000 0.512 530 W N 1.148 122.321 121.300 -0.213 0.000 2.570 530 W HA 0.413 5.073 4.660 0.000 0.000 0.337 530 W C -0.611 175.857 176.519 -0.085 0.000 1.067 530 W CA -0.361 56.881 57.345 -0.170 0.000 1.229 530 W CB 1.517 30.847 29.460 -0.216 0.000 1.355 530 W HN 0.445 nan 8.180 nan 0.000 0.555 531 Q N 2.393 122.311 119.800 0.197 0.000 2.269 531 Q HA 0.203 4.543 4.340 0.000 0.000 0.263 531 Q C -0.941 175.147 176.000 0.147 0.000 0.983 531 Q CA -0.673 55.203 55.803 0.122 0.000 0.777 531 Q CB 1.413 30.186 28.738 0.059 0.000 1.273 531 Q HN 0.545 nan 8.270 nan 0.000 0.440 532 E N 2.898 123.172 120.200 0.124 0.000 2.316 532 E HA 0.416 4.766 4.350 0.000 0.000 0.275 532 E C -0.891 175.790 176.600 0.135 0.000 1.029 532 E CA -0.385 56.108 56.400 0.154 0.000 0.871 532 E CB 1.123 30.926 29.700 0.172 0.000 1.022 532 E HN 0.376 nan 8.360 nan 0.000 0.418 533 K N 3.960 124.449 120.400 0.148 0.000 2.427 533 K HA 0.395 4.716 4.320 0.000 0.000 0.252 533 K C -2.503 174.180 176.600 0.138 0.000 0.931 533 K CA -2.412 53.952 56.287 0.128 0.000 0.793 533 K CB 2.131 34.702 32.500 0.119 0.000 1.211 533 K HN 0.522 nan 8.250 nan 0.000 0.426 534 P HA 0.215 nan 4.420 nan 0.000 0.274 534 P C -1.099 176.292 177.300 0.153 0.000 1.256 534 P CA -0.546 62.636 63.100 0.136 0.000 0.795 534 P CB 0.849 32.620 31.700 0.118 0.000 1.038 535 L N 1.331 122.659 121.223 0.175 0.000 2.611 535 L HA 0.274 4.614 4.340 0.000 0.000 0.263 535 L C -0.378 176.619 176.870 0.212 0.000 0.969 535 L CA -0.348 54.608 54.840 0.193 0.000 0.894 535 L CB 0.623 42.775 42.059 0.154 0.000 1.229 535 L HN 0.612 nan 8.230 nan 0.000 0.416 536 c N 2.666 121.377 118.600 0.185 0.000 2.459 536 c HA 0.768 5.338 4.570 0.000 0.000 0.374 536 c C 0.199 174.377 174.090 0.146 0.000 1.241 536 c CA -1.182 55.227 56.329 0.134 0.000 2.352 536 c CB 0.179 42.706 42.510 0.028 0.000 2.490 536 c HN 0.728 nan 8.230 nan 0.000 0.583 537 L N 2.401 123.700 121.223 0.126 0.000 2.331 537 L HA 0.786 5.126 4.340 0.000 0.000 0.275 537 L C 0.619 177.510 176.870 0.034 0.000 1.022 537 L CA -0.062 54.840 54.840 0.102 0.000 0.812 537 L CB 1.600 43.748 42.059 0.148 0.000 1.257 537 L HN 1.078 nan 8.230 nan 0.000 0.435 538 G N -0.388 108.414 108.800 0.004 0.000 2.731 538 G HA2 0.434 4.395 3.960 0.000 0.000 0.298 538 G HA3 0.434 4.395 3.960 0.000 0.000 0.298 538 G C -0.989 173.901 174.900 -0.017 0.000 1.424 538 G CA -0.390 44.696 45.100 -0.024 0.000 1.029 538 G HN 0.431 nan 8.290 nan 0.000 0.518 539 T N -0.264 114.291 114.554 0.002 0.000 2.869 539 T HA 0.593 4.944 4.350 0.000 0.000 0.295 539 T C 0.275 174.971 174.700 -0.007 0.000 0.987 539 T CA 0.105 62.199 62.100 -0.010 0.000 1.109 539 T CB 0.609 69.487 68.868 0.016 0.000 0.932 539 T HN 1.293 nan 8.240 nan 0.000 0.518 540 S N 2.959 118.647 115.700 -0.019 0.000 2.737 540 S HA 0.668 5.138 4.470 0.000 0.000 0.269 540 S C 0.490 175.080 174.600 -0.015 0.000 1.150 540 S CA -0.438 57.754 58.200 -0.013 0.000 1.077 540 S CB 0.693 63.881 63.200 -0.021 0.000 1.075 540 S HN 1.791 nan 8.310 nan 0.000 0.476 541 G N 2.934 111.730 108.800 -0.006 0.000 2.645 541 G HA2 -0.270 3.691 3.960 0.000 0.000 0.246 541 G HA3 -0.270 3.691 3.960 0.000 0.000 0.246 541 G C 0.921 175.816 174.900 -0.010 0.000 1.322 541 G CA 0.387 45.484 45.100 -0.005 0.000 0.898 541 G HN 2.079 nan 8.290 nan 0.000 0.573 542 S N -1.599 114.096 115.700 -0.008 0.000 2.584 542 S HA 0.035 4.505 4.470 0.000 0.000 0.240 542 S C 1.352 175.935 174.600 -0.028 0.000 0.975 542 S CA 1.491 59.684 58.200 -0.011 0.000 0.949 542 S CB -0.636 62.563 63.200 -0.002 0.000 0.761 542 S HN 1.799 nan 8.310 nan 0.000 0.536 543 c N 4.037 122.619 118.600 -0.031 0.000 2.322 543 c HA 0.563 5.133 4.570 0.000 0.000 0.343 543 c C 0.511 174.559 174.090 -0.071 0.000 1.190 543 c CA -1.013 55.292 56.329 -0.040 0.000 1.704 543 c CB -1.155 41.337 42.510 -0.030 0.000 2.293 543 c HN 0.545 nan 8.230 nan 0.000 0.523 544 R N 3.569 123.991 120.500 -0.130 0.000 2.828 544 R HA 0.463 4.803 4.340 0.000 0.000 0.264 544 R C 0.985 177.160 176.300 -0.208 0.000 1.022 544 R CA -0.484 55.470 56.100 -0.244 0.000 1.021 544 R CB 1.010 30.966 30.300 -0.573 0.000 1.163 544 R HN 0.778 nan 8.270 nan 0.000 0.494 545 G N 0.622 109.339 108.800 -0.139 0.000 3.181 545 G HA2 0.093 4.053 3.960 0.000 0.000 0.219 545 G HA3 0.093 4.053 3.960 0.000 0.000 0.219 545 G C -0.438 174.533 174.900 0.117 0.000 1.182 545 G CA 0.328 45.443 45.100 0.025 0.000 0.791 545 G HN 0.583 nan 8.290 nan 0.000 0.537 546 Y N -1.746 118.565 120.300 0.019 0.000 2.592 546 Y HA 0.702 5.253 4.550 0.000 0.000 0.334 546 Y C -1.113 174.750 175.900 -0.061 0.000 1.136 546 Y CA -3.023 55.038 58.100 -0.065 0.000 1.042 546 Y CB 0.750 39.137 38.460 -0.123 0.000 1.325 546 Y HN 0.002 nan 8.280 nan 0.000 0.457 547 F N -0.842 119.077 119.950 -0.052 0.000 2.618 547 F HA 0.868 5.395 4.527 0.000 0.000 0.332 547 F C -0.266 175.550 175.800 0.028 0.000 1.061 547 F CA -1.614 56.193 58.000 -0.323 0.000 0.974 547 F CB 1.386 39.842 39.000 -0.907 0.000 1.310 547 F HN 0.501 nan 8.300 nan 0.000 0.491 548 S N 0.845 116.721 115.700 0.292 0.000 2.565 548 S HA 0.556 5.026 4.470 0.000 0.000 0.276 548 S C 0.490 175.238 174.600 0.247 0.000 1.326 548 S CA 0.540 58.876 58.200 0.226 0.000 1.045 548 S CB 0.488 63.849 63.200 0.268 0.000 0.918 548 S HN 1.496 nan 8.310 nan 0.000 0.505 549 G N 3.017 111.880 108.800 0.105 0.000 2.539 549 G HA2 -0.170 3.790 3.960 0.000 0.000 0.256 549 G HA3 -0.170 3.790 3.960 0.000 0.000 0.256 549 G C -0.496 174.527 174.900 0.205 0.000 1.233 549 G CA 0.176 45.342 45.100 0.111 0.000 0.936 549 G HN 1.112 nan 8.290 nan 0.000 0.571 550 H N -0.906 118.301 119.070 0.228 0.000 2.747 550 H HA 0.725 5.281 4.556 0.000 0.000 0.371 550 H C -0.277 175.168 175.328 0.195 0.000 1.161 550 H CA -1.192 54.997 56.048 0.235 0.000 1.167 550 H CB 1.413 31.237 29.762 0.104 0.000 1.732 550 H HN 0.604 nan 8.280 nan 0.000 0.544 551 I N 2.389 123.097 120.570 0.230 0.000 2.441 551 I HA -0.040 4.130 4.170 0.000 0.000 0.287 551 I C 1.066 177.158 176.117 -0.040 0.000 1.049 551 I CA -0.202 61.071 61.300 -0.044 0.000 1.381 551 I CB 1.086 38.981 38.000 -0.176 0.000 1.409 551 I HN 0.497 nan 8.210 nan 0.000 0.523 552 L N 5.522 126.671 121.223 -0.124 0.000 2.609 552 L HA 0.430 4.770 4.340 0.000 0.000 0.230 552 L C 0.858 177.620 176.870 -0.180 0.000 1.087 552 L CA 0.007 54.799 54.840 -0.080 0.000 0.874 552 L CB 0.270 42.309 42.059 -0.033 0.000 1.114 552 L HN 0.831 nan 8.230 nan 0.000 0.488 553 G N -0.866 107.706 108.800 -0.380 0.000 2.321 553 G HA2 0.353 4.313 3.960 0.000 0.000 0.296 553 G HA3 0.353 4.313 3.960 0.000 0.000 0.296 553 G C -1.865 172.643 174.900 -0.653 0.000 1.287 553 G CA -0.661 44.160 45.100 -0.464 0.000 0.846 553 G HN -0.179 nan 8.290 nan 0.000 0.508 554 F N -0.569 119.420 119.950 0.065 0.000 2.631 554 F HA 0.824 5.352 4.527 0.000 0.000 0.328 554 F C 0.803 176.614 175.800 0.018 0.000 1.067 554 F CA -0.230 57.801 58.000 0.052 0.000 0.969 554 F CB 2.610 41.666 39.000 0.093 0.000 1.332 554 F HN 0.781 nan 8.300 nan 0.000 0.490 555 G N 0.088 109.024 108.800 0.226 0.000 2.563 555 G HA2 0.588 4.548 3.960 0.000 0.000 0.302 555 G HA3 0.588 4.548 3.960 0.000 0.000 0.302 555 G C -2.207 172.805 174.900 0.187 0.000 1.301 555 G CA -0.554 44.638 45.100 0.153 0.000 0.965 555 G HN 0.612 nan 8.290 nan 0.000 0.480 556 E N 0.880 121.176 120.200 0.160 0.000 2.263 556 E HA 0.274 4.624 4.350 0.000 0.000 0.268 556 E C -1.184 175.541 176.600 0.208 0.000 0.884 556 E CA -0.694 55.807 56.400 0.168 0.000 0.766 556 E CB 1.845 31.612 29.700 0.110 0.000 1.196 556 E HN 0.330 nan 8.360 nan 0.000 0.416 557 D N 2.579 123.103 120.400 0.207 0.000 2.368 557 D HA -0.037 4.603 4.640 0.000 0.000 0.240 557 D C 0.941 177.092 176.300 -0.247 0.000 1.169 557 D CA 0.231 54.274 54.000 0.072 0.000 0.906 557 D CB 1.209 42.054 40.800 0.075 0.000 1.187 557 D HN 0.646 nan 8.370 nan 0.000 0.435 558 E N 0.631 120.557 120.200 -0.458 0.000 2.085 558 E HA -0.160 4.190 4.350 0.000 0.000 0.194 558 E C 1.714 178.038 176.600 -0.461 0.000 0.994 558 E CA 1.124 56.983 56.400 -0.902 0.000 0.801 558 E CB -0.061 29.398 29.700 -0.401 0.000 0.743 558 E HN 0.424 nan 8.360 nan 0.000 0.453 559 L N -0.983 120.102 121.223 -0.229 0.000 2.551 559 L HA 0.099 4.439 4.340 0.000 0.000 0.228 559 L C 1.625 178.417 176.870 -0.130 0.000 1.153 559 L CA 0.533 55.291 54.840 -0.137 0.000 0.851 559 L CB -0.249 41.764 42.059 -0.077 0.000 0.959 559 L HN 0.511 nan 8.230 nan 0.000 0.451 560 G N -0.479 108.231 108.800 -0.150 0.000 2.175 560 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 560 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 560 G C 0.160 174.971 174.900 -0.147 0.000 0.982 560 G CA -0.114 44.895 45.100 -0.152 0.000 0.641 560 G HN 0.328 nan 8.290 nan 0.000 0.527 561 E N -0.524 119.641 120.200 -0.058 0.000 2.409 561 E HA 0.597 4.948 4.350 0.000 0.000 0.257 561 E C 0.296 176.841 176.600 -0.092 0.000 1.150 561 E CA -0.076 56.311 56.400 -0.023 0.000 0.942 561 E CB 1.321 30.978 29.700 -0.072 0.000 0.979 561 E HN 0.313 nan 8.360 nan 0.000 0.447 562 V N 2.489 122.250 119.914 -0.255 0.000 2.735 562 V HA 0.448 4.569 4.120 0.000 0.000 0.310 562 V C -1.236 174.560 176.094 -0.496 0.000 1.061 562 V CA -0.573 61.524 62.300 -0.339 0.000 0.913 562 V CB 1.084 32.618 31.823 -0.482 0.000 1.005 562 V HN 0.574 nan 8.190 nan 0.000 0.428 563 Y N 3.998 124.197 120.300 -0.169 0.000 2.570 563 Y HA 0.745 5.295 4.550 0.000 0.000 0.345 563 Y C 0.111 176.036 175.900 0.042 0.000 1.014 563 Y CA -1.021 57.049 58.100 -0.050 0.000 1.063 563 Y CB 2.013 40.454 38.460 -0.032 0.000 1.272 563 Y HN 0.625 nan 8.280 nan 0.000 0.477 564 I N 0.161 120.857 120.570 0.210 0.000 2.530 564 I HA 0.728 4.898 4.170 0.000 0.000 0.297 564 I C -1.730 174.420 176.117 0.055 0.000 1.011 564 I CA -1.000 60.358 61.300 0.098 0.000 1.107 564 I CB 1.699 39.684 38.000 -0.024 0.000 1.285 564 I HN 0.337 nan 8.210 nan 0.000 0.436 565 L N 5.399 126.582 121.223 -0.067 0.000 2.313 565 L HA 0.648 4.988 4.340 0.000 0.000 0.283 565 L C 0.150 176.969 176.870 -0.085 0.000 1.013 565 L CA 0.021 54.830 54.840 -0.053 0.000 0.816 565 L CB 1.788 43.803 42.059 -0.072 0.000 1.236 565 L HN 0.882 nan 8.230 nan 0.000 0.419 566 S N 1.285 116.978 115.700 -0.012 0.000 2.634 566 S HA 0.913 5.383 4.470 0.000 0.000 0.296 566 S C -0.664 173.896 174.600 -0.067 0.000 1.104 566 S CA -0.675 57.514 58.200 -0.018 0.000 0.920 566 S CB 2.141 65.444 63.200 0.172 0.000 1.111 566 S HN 0.488 nan 8.310 nan 0.000 0.493 567 S N 0.128 115.690 115.700 -0.230 0.000 2.579 567 S HA 0.834 5.304 4.470 0.000 0.000 0.272 567 S C -1.688 172.700 174.600 -0.354 0.000 1.141 567 S CA -0.524 57.535 58.200 -0.233 0.000 0.843 567 S CB 1.498 64.588 63.200 -0.183 0.000 1.122 567 S HN 1.476 nan 8.310 nan 0.000 0.468 568 S N 2.806 118.442 115.700 -0.106 0.000 2.619 568 S HA 0.596 5.067 4.470 0.000 0.000 0.280 568 S C -0.961 173.679 174.600 0.067 0.000 1.150 568 S CA -1.136 57.069 58.200 0.009 0.000 0.978 568 S CB 1.371 64.598 63.200 0.046 0.000 1.041 568 S HN 0.573 nan 8.310 nan 0.000 0.485 575 H N 1.174 120.239 119.070 -0.009 0.000 3.572 575 H HA 0.038 4.594 4.556 0.000 0.000 0.335 575 H C -0.153 175.158 175.328 -0.028 0.000 1.321 575 H CA -0.054 55.979 56.048 -0.026 0.000 1.294 575 H CB -1.306 28.433 29.762 -0.037 0.000 1.661 575 H HN 0.658 nan 8.280 nan 0.000 0.372 576 N N -0.645 118.060 118.700 0.007 0.000 2.234 576 N HA 0.256 4.996 4.740 0.000 0.000 0.227 576 N C 0.923 176.411 175.510 -0.037 0.000 1.151 576 N CA 0.478 53.527 53.050 -0.001 0.000 0.865 576 N CB 1.160 39.661 38.487 0.023 0.000 1.066 576 N HN 0.467 nan 8.380 nan 0.000 0.515 577 G N 0.735 109.486 108.800 -0.081 0.000 2.353 577 G HA2 0.123 4.083 3.960 0.000 0.000 0.239 577 G HA3 0.123 4.083 3.960 0.000 0.000 0.239 577 G C -0.101 174.743 174.900 -0.092 0.000 1.295 577 G CA 0.018 45.065 45.100 -0.090 0.000 0.884 577 G HN 0.071 nan 8.290 nan 0.000 0.537 578 K N 0.890 121.241 120.400 -0.082 0.000 2.426 578 K HA 0.424 4.744 4.320 0.000 0.000 0.251 578 K C -1.395 175.106 176.600 -0.164 0.000 0.941 578 K CA -0.961 55.227 56.287 -0.165 0.000 0.808 578 K CB 2.747 35.118 32.500 -0.215 0.000 1.265 578 K HN 0.328 nan 8.250 nan 0.000 0.432 579 L N 2.744 123.823 121.223 -0.240 0.000 2.305 579 L HA 0.448 4.789 4.340 0.000 0.000 0.284 579 L C -1.708 175.053 176.870 -0.181 0.000 1.013 579 L CA -0.248 54.512 54.840 -0.133 0.000 0.819 579 L CB 0.596 42.577 42.059 -0.129 0.000 1.227 579 L HN 0.476 nan 8.230 nan 0.000 0.417 580 Y N 3.631 123.969 120.300 0.064 0.000 2.429 580 Y HA 0.492 5.042 4.550 0.000 0.000 0.342 580 Y C -0.234 175.711 175.900 0.075 0.000 1.004 580 Y CA -0.619 57.512 58.100 0.052 0.000 1.075 580 Y CB 1.873 40.324 38.460 -0.015 0.000 1.214 580 Y HN 0.482 nan 8.280 nan 0.000 0.455 581 K N 3.562 124.041 120.400 0.133 0.000 2.185 581 K HA 0.545 4.865 4.320 0.000 0.000 0.269 581 K C -1.153 175.357 176.600 -0.151 0.000 0.987 581 K CA -0.433 55.738 56.287 -0.193 0.000 0.865 581 K CB 0.722 33.048 32.500 -0.291 0.000 1.090 581 K HN 0.697 nan 8.250 nan 0.000 0.450 582 I N 4.290 124.717 120.570 -0.238 0.000 2.441 582 I HA 0.122 4.292 4.170 0.000 0.000 0.287 582 I C -0.561 175.476 176.117 -0.134 0.000 1.049 582 I CA -0.519 60.668 61.300 -0.188 0.000 1.381 582 I CB 1.366 39.200 38.000 -0.278 0.000 1.409 582 I HN 0.288 nan 8.210 nan 0.000 0.523 583 V N 5.108 125.004 119.914 -0.029 0.000 2.709 583 V HA 0.261 4.381 4.120 0.000 0.000 0.308 583 V C -0.616 175.527 176.094 0.080 0.000 1.062 583 V CA -0.715 61.587 62.300 0.003 0.000 0.901 583 V CB 2.174 33.982 31.823 -0.025 0.000 1.003 583 V HN 0.592 nan 8.190 nan 0.000 0.425 584 D N 5.701 126.125 120.400 0.040 0.000 2.396 584 D HA 0.391 5.031 4.640 0.000 0.000 0.225 584 D C -1.836 174.392 176.300 -0.120 0.000 1.121 584 D CA -2.081 51.858 54.000 -0.103 0.000 0.853 584 D CB 2.202 42.969 40.800 -0.054 0.000 1.043 584 D HN 0.211 nan 8.370 nan 0.000 0.500 585 P HA 0.043 nan 4.420 nan 0.000 0.241 585 P C 0.651 177.894 177.300 -0.095 0.000 1.191 585 P CA 0.522 63.560 63.100 -0.102 0.000 0.771 585 P CB 0.357 31.999 31.700 -0.097 0.000 0.929 586 K N -0.586 119.739 120.400 -0.125 0.000 2.228 586 K HA 0.048 4.368 4.320 0.000 0.000 0.202 586 K C 1.053 177.617 176.600 -0.061 0.000 1.051 586 K CA 0.532 56.763 56.287 -0.093 0.000 0.960 586 K CB 0.097 32.528 32.500 -0.115 0.000 0.743 586 K HN 0.177 nan 8.250 nan 0.000 0.458 587 R N 1.146 121.612 120.500 -0.057 0.000 2.643 587 R HA 0.291 4.631 4.340 0.000 0.000 0.272 587 R C -2.588 173.697 176.300 -0.025 0.000 0.995 587 R CA -2.187 53.896 56.100 -0.029 0.000 1.032 587 R CB 0.767 31.061 30.300 -0.010 0.000 1.126 587 R HN -0.134 nan 8.270 nan 0.000 0.505 588 P HA 0.057 nan 4.420 nan 0.000 0.272 588 P C -0.134 177.159 177.300 -0.012 0.000 1.240 588 P CA -0.194 62.896 63.100 -0.016 0.000 0.791 588 P CB 0.511 32.203 31.700 -0.013 0.000 0.978 592 E N 0.261 120.453 120.200 -0.014 0.000 2.049 592 E HA -0.249 4.101 4.350 0.000 0.000 0.198 592 E C 0.811 177.399 176.600 -0.019 0.000 1.007 592 E CA 1.841 58.232 56.400 -0.016 0.000 0.809 592 E CB 0.007 29.698 29.700 -0.015 0.000 0.749 592 E HN 0.562 nan 8.360 nan 0.000 0.450 593 E N -0.045 120.142 120.200 -0.023 0.000 2.267 593 E HA -0.161 4.189 4.350 0.000 0.000 0.197 593 E C 1.785 178.368 176.600 -0.029 0.000 0.998 593 E CA 1.079 57.461 56.400 -0.030 0.000 0.830 593 E CB -0.196 29.480 29.700 -0.040 0.000 0.751 593 E HN 0.269 nan 8.360 nan 0.000 0.491 594 c N 0.597 119.183 118.600 -0.023 0.000 2.673 594 c HA 0.188 4.758 4.570 0.000 0.000 0.264 594 c C 0.903 174.980 174.090 -0.022 0.000 1.304 594 c CA -0.690 55.626 56.329 -0.022 0.000 1.727 594 c CB -0.775 41.727 42.510 -0.013 0.000 1.932 594 c HN 0.252 nan 8.230 nan 0.000 0.563 595 R N 1.760 122.248 120.500 -0.020 0.000 2.585 595 R HA 0.389 4.730 4.340 0.000 0.000 0.275 595 R C -0.162 176.126 176.300 -0.020 0.000 1.018 595 R CA 0.652 56.741 56.100 -0.019 0.000 1.072 595 R CB 0.130 30.421 30.300 -0.016 0.000 0.953 595 R HN 0.462 nan 8.270 nan 0.000 0.419 596 A N 1.440 124.248 122.820 -0.020 0.000 2.540 596 A HA 0.315 4.635 4.320 0.000 0.000 0.297 596 A C -0.521 177.052 177.584 -0.017 0.000 1.056 596 A CA -0.952 51.073 52.037 -0.020 0.000 0.700 596 A CB 1.507 20.491 19.000 -0.027 0.000 1.280 596 A HN 0.681 nan 8.150 nan 0.000 0.398 597 T N -0.049 114.498 114.554 -0.013 0.000 2.761 597 T HA 0.466 4.816 4.350 0.000 0.000 0.296 597 T C 0.276 174.972 174.700 -0.007 0.000 0.934 597 T CA -0.215 61.880 62.100 -0.008 0.000 1.091 597 T CB 0.918 69.783 68.868 -0.004 0.000 0.896 597 T HN 1.807 nan 8.240 nan 0.000 0.515 598 V N 3.970 123.880 119.914 -0.007 0.000 2.521 598 V HA 0.257 4.377 4.120 0.000 0.000 0.286 598 V C -0.257 175.843 176.094 0.010 0.000 1.034 598 V CA -0.162 62.136 62.300 -0.002 0.000 1.045 598 V CB 0.344 32.162 31.823 -0.008 0.000 0.974 598 V HN 0.987 nan 8.190 nan 0.000 0.480 599 Q N 8.169 127.979 119.800 0.018 0.000 2.431 599 Q HA 0.440 4.780 4.340 0.000 0.000 0.249 599 Q C -2.510 173.516 176.000 0.043 0.000 1.025 599 Q CA -1.667 54.152 55.803 0.026 0.000 0.835 599 Q CB 1.404 30.156 28.738 0.024 0.000 1.207 599 Q HN 0.630 nan 8.270 nan 0.000 0.490 600 P HA -0.047 nan 4.420 nan 0.000 0.265 600 P C -0.714 176.637 177.300 0.085 0.000 1.193 600 P CA 0.009 63.159 63.100 0.083 0.000 0.765 600 P CB 0.637 32.388 31.700 0.086 0.000 0.823 601 A N 2.923 125.814 122.820 0.119 0.000 2.561 601 A HA 0.121 4.442 4.320 0.000 0.000 0.234 601 A C 0.293 177.882 177.584 0.009 0.000 1.055 601 A CA 0.674 52.758 52.037 0.078 0.000 0.756 601 A CB -0.453 18.603 19.000 0.094 0.000 0.986 601 A HN 0.528 nan 8.150 nan 0.000 0.505 602 Q N 0.268 120.063 119.800 -0.008 0.000 2.394 602 Q HA 0.518 4.858 4.340 0.000 0.000 0.273 602 Q C 0.087 176.055 176.000 -0.053 0.000 1.089 602 Q CA 0.014 55.801 55.803 -0.026 0.000 0.812 602 Q CB 1.679 30.410 28.738 -0.012 0.000 1.353 602 Q HN 0.905 nan 8.270 nan 0.000 0.438 603 T N 0.143 114.665 114.554 -0.055 0.000 2.946 603 T HA 0.214 4.564 4.350 0.000 0.000 0.311 603 T C 0.367 175.028 174.700 -0.066 0.000 1.063 603 T CA -0.411 61.653 62.100 -0.060 0.000 1.139 603 T CB 0.091 68.930 68.868 -0.049 0.000 0.994 603 T HN 0.514 nan 8.240 nan 0.000 0.547 604 L N 3.585 124.760 121.223 -0.081 0.000 2.559 604 L HA 0.189 4.529 4.340 0.000 0.000 0.282 604 L C 1.730 178.557 176.870 -0.073 0.000 1.232 604 L CA 0.310 55.096 54.840 -0.090 0.000 0.885 604 L CB 0.238 42.237 42.059 -0.099 0.000 1.131 604 L HN 1.098 nan 8.230 nan 0.000 0.498 605 T N -3.186 111.326 114.554 -0.070 0.000 3.111 605 T HA 0.098 4.449 4.350 0.000 0.000 0.284 605 T C 0.495 175.154 174.700 -0.069 0.000 0.983 605 T CA -0.025 62.036 62.100 -0.064 0.000 0.900 605 T CB 0.164 69.001 68.868 -0.051 0.000 1.132 605 T HN 0.577 nan 8.240 nan 0.000 0.531 606 S N 0.889 116.547 115.700 -0.070 0.000 2.560 606 S HA 0.187 4.658 4.470 0.000 0.000 0.284 606 S C 1.163 175.712 174.600 -0.085 0.000 1.327 606 S CA -0.417 57.746 58.200 -0.061 0.000 1.055 606 S CB 1.385 64.553 63.200 -0.053 0.000 0.868 606 S HN 0.427 nan 8.310 nan 0.000 0.506 607 E N 1.123 121.274 120.200 -0.081 0.000 2.070 607 E HA -0.210 4.141 4.350 0.000 0.000 0.197 607 E C 2.093 178.530 176.600 -0.272 0.000 1.004 607 E CA 1.720 58.012 56.400 -0.180 0.000 0.805 607 E CB -0.260 29.381 29.700 -0.097 0.000 0.744 607 E HN 0.878 nan 8.360 nan 0.000 0.451 608 c N 0.019 118.600 118.600 -0.031 0.000 2.440 608 c HA -0.057 4.513 4.570 0.000 0.000 0.278 608 c C 3.064 177.141 174.090 -0.022 0.000 1.295 608 c CA 1.425 57.807 56.329 0.089 0.000 1.738 608 c CB -1.050 41.573 42.510 0.190 0.000 1.987 608 c HN 0.499 nan 8.230 nan 0.000 0.492 609 S N 0.476 116.144 115.700 -0.053 0.000 2.402 609 S HA -0.138 4.332 4.470 0.000 0.000 0.229 609 S C 2.164 176.710 174.600 -0.089 0.000 1.021 609 S CA 1.633 59.796 58.200 -0.061 0.000 0.974 609 S CB -0.356 62.804 63.200 -0.067 0.000 0.800 609 S HN 0.846 nan 8.310 nan 0.000 0.484 610 R N 0.094 120.513 120.500 -0.135 0.000 2.087 610 R HA 0.240 4.580 4.340 0.000 0.000 0.216 610 R C 2.225 178.417 176.300 -0.180 0.000 1.114 610 R CA 0.743 56.757 56.100 -0.145 0.000 1.002 610 R CB -0.672 29.540 30.300 -0.147 0.000 0.903 610 R HN 0.362 nan 8.270 nan 0.000 0.445 611 L N 1.227 122.268 121.223 -0.304 0.000 2.162 611 L HA 0.106 4.446 4.340 0.000 0.000 0.205 611 L C 1.355 178.122 176.870 -0.171 0.000 1.086 611 L CA -0.058 54.571 54.840 -0.352 0.000 0.778 611 L CB -0.063 41.531 42.059 -0.775 0.000 0.928 611 L HN 0.254 nan 8.230 nan 0.000 0.446 612 c N 2.614 121.169 118.600 -0.075 0.000 2.793 612 c HA -0.035 4.535 4.570 0.000 0.000 0.388 612 c C 2.304 176.376 174.090 -0.031 0.000 1.254 612 c CA -0.186 56.198 56.329 0.092 0.000 1.326 612 c CB -1.487 41.108 42.510 0.141 0.000 2.065 612 c HN 0.396 nan 8.230 nan 0.000 0.597 613 R N 2.968 123.424 120.500 -0.073 0.000 2.171 613 R HA -0.126 4.214 4.340 0.000 0.000 0.226 613 R C 0.474 176.644 176.300 -0.217 0.000 1.113 613 R CA 1.758 57.756 56.100 -0.170 0.000 0.887 613 R CB -0.074 30.074 30.300 -0.252 0.000 0.830 613 R HN 0.772 nan 8.270 nan 0.000 0.432 614 N N -1.663 116.839 118.700 -0.329 0.000 2.484 614 N HA 0.393 5.133 4.740 0.000 0.000 0.269 614 N C -1.668 173.686 175.510 -0.259 0.000 1.237 614 N CA 0.643 53.532 53.050 -0.268 0.000 0.838 614 N CB 2.226 40.557 38.487 -0.259 0.000 1.593 614 N HN 0.631 nan 8.380 nan 0.000 0.485 615 G N 0.296 109.033 108.800 -0.105 0.000 2.515 615 G HA2 0.029 3.989 3.960 0.000 0.000 0.686 615 G HA3 0.029 3.989 3.960 0.000 0.000 0.686 615 G C -1.039 173.868 174.900 0.012 0.000 1.274 615 G CA -0.422 44.655 45.100 -0.039 0.000 0.874 615 G HN 0.696 nan 8.290 nan 0.000 0.631 616 Y N -2.245 118.056 120.300 0.002 0.000 2.378 616 Y HA 0.774 5.324 4.550 0.000 0.000 0.351 616 Y C 0.891 176.807 175.900 0.027 0.000 1.351 616 Y CA -0.846 57.263 58.100 0.014 0.000 1.616 616 Y CB 0.979 39.458 38.460 0.031 0.000 1.622 616 Y HN 1.192 nan 8.280 nan 0.000 0.568 617 c N 2.646 121.377 118.600 0.219 0.000 2.892 617 c HA 0.407 4.978 4.570 0.000 0.000 0.360 617 c C -0.156 174.041 174.090 0.178 0.000 1.054 617 c CA -0.001 56.393 56.329 0.110 0.000 1.326 617 c CB -0.859 41.699 42.510 0.080 0.000 1.806 617 c HN 1.130 nan 8.230 nan 0.000 0.490 618 T N 3.897 118.553 114.554 0.170 0.000 2.898 618 T HA 0.323 4.673 4.350 0.000 0.000 0.301 618 T C -1.011 173.763 174.700 0.123 0.000 1.049 618 T CA -0.740 61.486 62.100 0.210 0.000 1.095 618 T CB 1.140 70.124 68.868 0.192 0.000 0.976 618 T HN 0.576 nan 8.240 nan 0.000 0.539 619 P HA -0.125 nan 4.420 nan 0.000 0.222 619 P C 1.439 178.709 177.300 -0.049 0.000 1.142 619 P CA 1.161 64.233 63.100 -0.047 0.000 0.788 619 P CB -0.465 31.202 31.700 -0.055 0.000 0.767 620 T N -4.686 109.896 114.554 0.048 0.000 3.023 620 T HA 0.244 4.594 4.350 0.000 0.000 0.266 620 T C 1.673 176.395 174.700 0.037 0.000 1.093 620 T CA 1.030 63.160 62.100 0.049 0.000 1.129 620 T CB -0.622 68.287 68.868 0.068 0.000 0.899 620 T HN 0.256 nan 8.240 nan 0.000 0.491 621 G N 1.081 109.907 108.800 0.043 0.000 2.205 621 G HA2 -0.184 3.776 3.960 0.000 0.000 0.180 621 G HA3 -0.184 3.776 3.960 0.000 0.000 0.180 621 G C -0.029 174.914 174.900 0.071 0.000 1.004 621 G CA -0.111 45.027 45.100 0.063 0.000 0.670 621 G HN 0.802 nan 8.290 nan 0.000 0.496 622 K N 0.526 120.943 120.400 0.028 0.000 2.350 622 K HA 0.510 4.831 4.320 0.000 0.000 0.279 622 K C 0.225 176.795 176.600 -0.051 0.000 1.027 622 K CA -0.077 56.190 56.287 -0.034 0.000 0.969 622 K CB 0.724 33.202 32.500 -0.038 0.000 0.954 622 K HN 0.353 nan 8.250 nan 0.000 0.474 623 c N 6.820 125.348 118.600 -0.120 0.000 2.239 623 c HA 0.466 5.036 4.570 0.000 0.000 0.325 623 c C -0.423 173.537 174.090 -0.217 0.000 1.231 623 c CA -0.787 55.471 56.329 -0.119 0.000 1.652 623 c CB -1.351 41.149 42.510 -0.017 0.000 2.284 623 c HN 0.842 nan 8.230 nan 0.000 0.499 624 c N 6.365 124.740 118.600 -0.375 0.000 2.303 624 c HA 0.361 4.931 4.570 0.000 0.000 0.341 624 c C 0.743 174.622 174.090 -0.353 0.000 1.244 624 c CA -0.709 55.337 56.329 -0.473 0.000 1.765 624 c CB -1.759 40.182 42.510 -0.949 0.000 2.379 624 c HN 0.952 nan 8.230 nan 0.000 0.530 625 c N 4.067 122.574 118.600 -0.154 0.000 2.632 625 c HA 0.362 4.932 4.570 0.000 0.000 0.415 625 c C 1.139 175.256 174.090 0.045 0.000 1.332 625 c CA -0.343 55.974 56.329 -0.020 0.000 1.874 625 c CB -0.737 41.821 42.510 0.080 0.000 2.596 625 c HN 0.996 nan 8.230 nan 0.000 0.590 626 S N 3.694 119.460 115.700 0.110 0.000 2.576 626 S HA 0.229 4.699 4.470 0.000 0.000 0.276 626 S C -2.637 172.124 174.600 0.267 0.000 1.339 626 S CA -0.940 57.372 58.200 0.186 0.000 1.039 626 S CB -0.316 62.995 63.200 0.184 0.000 0.902 626 S HN 0.609 nan 8.310 nan 0.000 0.516 627 P HA 0.099 nan 4.420 nan 0.000 0.255 627 P C 0.978 178.330 177.300 0.086 0.000 1.151 627 P CA 1.894 65.060 63.100 0.110 0.000 0.767 627 P CB -0.478 31.270 31.700 0.080 0.000 0.736 628 G N 0.938 109.736 108.800 -0.004 0.000 2.144 628 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 628 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 628 G C -0.658 173.994 174.900 -0.413 0.000 0.988 628 G CA -0.793 44.186 45.100 -0.202 0.000 0.659 628 G HN 0.399 nan 8.290 nan 0.000 0.522 629 W N 0.820 122.115 121.300 -0.009 0.000 2.736 629 W HA 0.679 5.339 4.660 0.001 0.000 0.335 629 W C 0.256 176.761 176.519 -0.023 0.000 1.059 629 W CA -0.572 56.766 57.345 -0.011 0.000 1.226 629 W CB 1.293 30.749 29.460 -0.007 0.000 1.416 629 W HN 0.385 nan 8.180 nan 0.000 0.505 630 E N 1.645 121.974 120.200 0.215 0.000 2.429 630 E HA 0.851 5.202 4.350 0.000 0.000 0.276 630 E C -0.174 176.483 176.600 0.096 0.000 0.953 630 E CA -1.312 55.150 56.400 0.103 0.000 0.787 630 E CB 2.164 31.887 29.700 0.038 0.000 1.307 630 E HN 0.701 nan 8.360 nan 0.000 0.458 631 G N 1.177 109.994 108.800 0.028 0.000 2.576 631 G HA2 -0.140 3.821 3.960 0.000 0.000 0.686 631 G HA3 -0.140 3.821 3.960 0.000 0.000 0.686 631 G C -0.397 174.451 174.900 -0.087 0.000 1.242 631 G CA -0.209 44.893 45.100 0.003 0.000 0.819 631 G HN 0.551 nan 8.290 nan 0.000 0.655 632 D N -0.260 120.029 120.400 -0.184 0.000 2.203 632 D HA -0.073 4.568 4.640 0.000 0.000 0.199 632 D C 1.539 177.326 176.300 -0.854 0.000 0.997 632 D CA 2.234 55.921 54.000 -0.522 0.000 0.863 632 D CB -0.119 40.313 40.800 -0.612 0.000 0.928 632 D HN 0.390 nan 8.370 nan 0.000 0.458 633 F N -1.578 118.362 119.950 -0.018 0.000 2.815 633 F HA 0.257 4.784 4.527 0.000 0.000 0.323 633 F C 0.299 176.071 175.800 -0.047 0.000 1.151 633 F CA -0.545 57.431 58.000 -0.040 0.000 1.191 633 F CB 0.223 39.198 39.000 -0.042 0.000 1.069 633 F HN -0.160 nan 8.300 nan 0.000 0.514 634 c N 0.668 119.314 118.600 0.076 0.000 4.397 634 c HA -0.231 4.339 4.570 0.000 0.000 0.291 634 c C 2.020 176.197 174.090 0.144 0.000 1.408 634 c CA 0.357 56.747 56.329 0.101 0.000 1.971 634 c CB -2.641 39.873 42.510 0.007 0.000 1.258 634 c HN 0.600 nan 8.230 nan 0.000 0.795 635 R N -0.131 120.467 120.500 0.163 0.000 2.276 635 R HA 0.026 4.366 4.340 0.000 0.000 0.196 635 R C 0.629 177.128 176.300 0.332 0.000 0.961 635 R CA 0.726 56.925 56.100 0.166 0.000 1.024 635 R CB -0.047 30.322 30.300 0.115 0.000 0.940 635 R HN 0.675 nan 8.270 nan 0.000 0.480 636 T N 1.178 115.929 114.554 0.328 0.000 2.837 636 T HA 0.512 4.862 4.350 0.000 0.000 0.285 636 T C -0.091 174.737 174.700 0.214 0.000 0.984 636 T CA -0.563 61.680 62.100 0.239 0.000 1.049 636 T CB 1.939 70.875 68.868 0.113 0.000 0.947 636 T HN 0.135 nan 8.240 nan 0.000 0.472 637 A N 2.996 125.789 122.820 -0.046 0.000 2.293 637 A HA 0.620 4.940 4.320 0.000 0.000 0.302 637 A C 0.063 177.459 177.584 -0.313 0.000 1.119 637 A CA -0.726 51.006 52.037 -0.509 0.000 0.823 637 A CB 0.576 19.179 19.000 -0.662 0.000 1.097 637 A HN 0.763 nan 8.150 nan 0.000 0.491 638 K N 0.972 121.142 120.400 -0.383 0.000 2.316 638 K HA 0.449 4.769 4.320 0.000 0.000 0.267 638 K C -1.642 174.837 176.600 -0.203 0.000 1.025 638 K CA -0.270 55.882 56.287 -0.226 0.000 0.896 638 K CB 0.791 33.172 32.500 -0.198 0.000 1.124 638 K HN 0.693 nan 8.250 nan 0.000 0.451 639 c N 4.485 122.999 118.600 -0.143 0.000 2.271 639 c HA 0.231 4.801 4.570 0.000 0.000 0.323 639 c C 1.440 175.478 174.090 -0.086 0.000 1.245 639 c CA -0.895 55.365 56.329 -0.115 0.000 1.548 639 c CB 0.362 42.812 42.510 -0.101 0.000 2.214 639 c HN 0.894 nan 8.230 nan 0.000 0.477 640 E N 2.918 123.071 120.200 -0.077 0.000 2.019 640 E HA -0.129 4.222 4.350 0.000 0.000 0.208 640 E C -1.072 175.496 176.600 -0.053 0.000 1.030 640 E CA 1.546 57.909 56.400 -0.061 0.000 0.856 640 E CB -1.351 28.319 29.700 -0.050 0.000 0.781 640 E HN 0.613 nan 8.360 nan 0.000 0.471 641 P HA 0.289 nan 4.420 nan 0.000 0.285 641 P C -0.815 176.447 177.300 -0.063 0.000 1.259 641 P CA -0.116 62.952 63.100 -0.053 0.000 0.794 641 P CB 1.216 32.888 31.700 -0.046 0.000 0.940 642 A N 2.583 125.361 122.820 -0.070 0.000 2.475 642 A HA 0.149 4.469 4.320 0.000 0.000 0.239 642 A C 0.384 177.917 177.584 -0.085 0.000 1.087 642 A CA -0.238 51.752 52.037 -0.078 0.000 0.779 642 A CB -0.331 18.620 19.000 -0.082 0.000 1.036 642 A HN 0.706 nan 8.150 nan 0.000 0.506 643 c N 1.487 120.036 118.600 -0.084 0.000 2.593 643 c HA 0.473 5.043 4.570 0.000 0.000 0.409 643 c C 1.069 175.079 174.090 -0.133 0.000 1.304 643 c CA -0.574 55.704 56.329 -0.086 0.000 2.007 643 c CB -0.651 41.820 42.510 -0.065 0.000 2.614 643 c HN 0.820 nan 8.230 nan 0.000 0.585 644 R N 1.334 121.732 120.500 -0.171 0.000 2.797 644 R HA 0.362 4.702 4.340 0.000 0.000 0.251 644 R C 0.066 176.155 176.300 -0.351 0.000 1.107 644 R CA -0.649 55.244 56.100 -0.344 0.000 1.084 644 R CB 0.213 30.210 30.300 -0.504 0.000 1.205 644 R HN 0.883 nan 8.270 nan 0.000 0.515 645 H N -0.062 118.839 119.070 -0.282 0.000 2.527 645 H HA -0.192 4.364 4.556 0.000 0.000 0.321 645 H C 1.005 176.111 175.328 -0.371 0.000 1.092 645 H CA 1.039 56.805 56.048 -0.470 0.000 1.118 645 H CB -1.567 27.547 29.762 -1.079 0.000 1.536 645 H HN 1.137 nan 8.280 nan 0.000 0.407 646 G N -1.478 107.232 108.800 -0.149 0.000 2.162 646 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 646 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 646 G C 0.869 175.733 174.900 -0.060 0.000 0.976 646 G CA 0.649 45.698 45.100 -0.085 0.000 0.655 646 G HN 1.034 nan 8.290 nan 0.000 0.533 647 G N -1.027 107.727 108.800 -0.076 0.000 2.544 647 G HA2 0.543 4.503 3.960 0.000 0.000 0.242 647 G HA3 0.543 4.503 3.960 0.000 0.000 0.242 647 G C -0.091 174.788 174.900 -0.034 0.000 1.247 647 G CA 0.371 45.448 45.100 -0.038 0.000 0.840 647 G HN 0.985 nan 8.290 nan 0.000 0.578 648 V N 1.009 120.914 119.914 -0.015 0.000 2.495 648 V HA 0.228 4.348 4.120 0.000 0.000 0.298 648 V C 0.170 176.252 176.094 -0.020 0.000 1.031 648 V CA -0.876 61.416 62.300 -0.013 0.000 0.871 648 V CB 1.712 33.537 31.823 0.004 0.000 0.988 648 V HN 0.911 nan 8.190 nan 0.000 0.432 649 c N 6.753 125.332 118.600 -0.034 0.000 2.210 649 c HA 0.304 4.874 4.570 0.000 0.000 0.377 649 c C 1.775 175.832 174.090 -0.055 0.000 1.037 649 c CA -0.010 56.283 56.329 -0.060 0.000 1.405 649 c CB -1.370 41.088 42.510 -0.086 0.000 1.802 649 c HN 0.842 nan 8.230 nan 0.000 0.495 650 V N 3.822 123.718 119.914 -0.030 0.000 2.407 650 V HA 0.175 4.295 4.120 0.000 0.000 0.245 650 V C 1.142 177.243 176.094 0.012 0.000 1.041 650 V CA 1.046 63.356 62.300 0.017 0.000 1.040 650 V CB -0.629 31.217 31.823 0.038 0.000 0.671 650 V HN 0.760 nan 8.190 nan 0.000 0.455 651 R N -0.161 120.293 120.500 -0.076 0.000 2.930 651 R HA 0.547 4.887 4.340 0.000 0.000 0.257 651 R C -2.943 173.142 176.300 -0.359 0.000 1.107 651 R CA -2.413 53.584 56.100 -0.172 0.000 0.999 651 R CB 1.160 31.465 30.300 0.008 0.000 1.209 651 R HN 0.075 nan 8.270 nan 0.000 0.486 652 P HA 0.021 nan 4.420 nan 0.000 0.261 652 P C -0.860 176.311 177.300 -0.216 0.000 1.203 652 P CA 0.478 63.315 63.100 -0.438 0.000 0.767 652 P CB 0.217 31.661 31.700 -0.427 0.000 0.785 653 N N -0.154 118.439 118.700 -0.178 0.000 2.741 653 N HA -0.224 4.516 4.740 0.000 0.000 0.251 653 N C -0.191 175.275 175.510 -0.074 0.000 1.112 653 N CA 1.262 54.249 53.050 -0.105 0.000 0.750 653 N CB -1.317 37.122 38.487 -0.079 0.000 1.119 653 N HN 0.354 nan 8.380 nan 0.000 0.561 654 K N 0.470 120.820 120.400 -0.083 0.000 2.394 654 K HA 0.524 4.844 4.320 0.000 0.000 0.260 654 K C -0.966 175.611 176.600 -0.038 0.000 0.967 654 K CA -0.457 55.803 56.287 -0.044 0.000 0.855 654 K CB 0.735 33.219 32.500 -0.028 0.000 1.101 654 K HN 0.187 nan 8.250 nan 0.000 0.433 655 c N 4.503 123.091 118.600 -0.019 0.000 2.350 655 c HA 0.413 4.983 4.570 0.000 0.000 0.348 655 c C -0.147 173.950 174.090 0.011 0.000 1.260 655 c CA -1.094 55.229 56.329 -0.011 0.000 1.966 655 c CB -0.075 42.431 42.510 -0.007 0.000 2.380 655 c HN 0.725 nan 8.230 nan 0.000 0.535 656 L N 3.982 125.213 121.223 0.013 0.000 2.272 656 L HA 0.360 4.700 4.340 0.000 0.000 0.284 656 L C -0.394 176.499 176.870 0.040 0.000 1.045 656 L CA -0.024 54.833 54.840 0.029 0.000 0.842 656 L CB -0.010 42.066 42.059 0.028 0.000 1.224 656 L HN 0.850 nan 8.230 nan 0.000 0.430 657 c N 3.727 122.364 118.600 0.063 0.000 2.459 657 c HA 0.350 4.920 4.570 0.000 0.000 0.374 657 c C 0.532 174.696 174.090 0.122 0.000 1.241 657 c CA -1.157 55.231 56.329 0.098 0.000 2.352 657 c CB 0.868 43.466 42.510 0.147 0.000 2.490 657 c HN 0.603 nan 8.230 nan 0.000 0.583 658 K N 1.685 122.182 120.400 0.163 0.000 2.295 658 K HA 0.118 4.439 4.320 0.000 0.000 0.270 658 K C 0.159 176.907 176.600 0.247 0.000 1.011 658 K CA -0.089 56.314 56.287 0.194 0.000 0.953 658 K CB 0.424 33.051 32.500 0.211 0.000 0.956 658 K HN 0.634 nan 8.250 nan 0.000 0.477 659 K N 0.311 120.800 120.400 0.149 0.000 2.530 659 K HA -0.122 4.198 4.320 0.000 0.000 0.280 659 K C 0.796 177.432 176.600 0.060 0.000 1.004 659 K CA 1.476 57.815 56.287 0.086 0.000 1.071 659 K CB -0.106 32.425 32.500 0.051 0.000 0.876 659 K HN 0.839 nan 8.250 nan 0.000 0.487 660 G N 3.320 112.090 108.800 -0.050 0.000 2.195 660 G HA2 -0.245 3.715 3.960 0.000 0.000 0.224 660 G HA3 -0.245 3.715 3.960 0.000 0.000 0.224 660 G C -0.754 173.875 174.900 -0.453 0.000 0.990 660 G CA -0.082 44.849 45.100 -0.283 0.000 0.639 660 G HN 0.601 nan 8.290 nan 0.000 0.514 661 Y N 0.589 120.935 120.300 0.077 0.000 2.388 661 Y HA 0.716 5.266 4.550 0.000 0.000 0.328 661 Y C 0.637 176.583 175.900 0.077 0.000 0.963 661 Y CA -0.991 57.166 58.100 0.095 0.000 1.240 661 Y CB 1.061 39.590 38.460 0.116 0.000 1.118 661 Y HN 0.141 nan 8.280 nan 0.000 0.484 662 L N 2.279 123.604 121.223 0.170 0.000 2.469 662 L HA 0.837 5.177 4.340 0.000 0.000 0.253 662 L C 0.715 177.713 176.870 0.213 0.000 1.143 662 L CA 0.007 54.933 54.840 0.143 0.000 0.804 662 L CB 0.773 42.877 42.059 0.074 0.000 1.214 662 L HN 0.799 nan 8.230 nan 0.000 0.476 663 G N -0.089 108.817 108.800 0.177 0.000 2.697 663 G HA2 -0.087 3.873 3.960 0.000 0.000 0.686 663 G HA3 -0.087 3.873 3.960 0.000 0.000 0.686 663 G C -2.182 172.789 174.900 0.117 0.000 1.179 663 G CA -0.436 44.786 45.100 0.204 0.000 0.765 663 G HN 0.464 nan 8.290 nan 0.000 0.649 664 P HA -0.115 nan 4.420 nan 0.000 0.218 664 P C 1.043 178.359 177.300 0.026 0.000 1.146 664 P CA 1.506 64.634 63.100 0.046 0.000 0.813 664 P CB 0.242 31.963 31.700 0.035 0.000 0.778 665 Q N -2.507 117.306 119.800 0.022 0.000 2.179 665 Q HA 0.223 4.564 4.340 0.000 0.000 0.213 665 Q C 0.502 176.506 176.000 0.007 0.000 0.833 665 Q CA 0.115 55.913 55.803 -0.009 0.000 0.990 665 Q CB -0.545 28.169 28.738 -0.040 0.000 1.132 665 Q HN 0.147 nan 8.270 nan 0.000 0.493 666 c N 0.739 119.382 118.600 0.071 0.000 4.392 666 c HA -0.182 4.388 4.570 0.000 0.000 0.280 666 c C 1.963 176.201 174.090 0.246 0.000 1.381 666 c CA 0.840 57.266 56.329 0.161 0.000 1.871 666 c CB -2.054 40.522 42.510 0.110 0.000 1.323 666 c HN 0.704 nan 8.230 nan 0.000 0.772 667 E N 1.167 121.418 120.200 0.084 0.000 2.153 667 E HA -0.155 4.195 4.350 0.000 0.000 0.194 667 E C 0.613 177.226 176.600 0.021 0.000 0.988 667 E CA 1.415 57.812 56.400 -0.004 0.000 0.811 667 E CB -0.279 29.264 29.700 -0.261 0.000 0.746 667 E HN 0.837 nan 8.360 nan 0.000 0.466 668 H N -0.362 118.847 119.070 0.231 0.000 2.496 668 H HA 0.478 5.035 4.556 0.000 0.000 0.342 668 H C -0.516 174.927 175.328 0.191 0.000 1.170 668 H CA -0.310 55.842 56.048 0.173 0.000 1.274 668 H CB 1.246 31.063 29.762 0.092 0.000 1.538 668 H HN 0.204 nan 8.280 nan 0.000 0.542 669 H N 0.000 119.139 119.070 0.114 0.000 2.539 669 H HA 0.000 4.556 4.556 0.000 0.000 0.296 669 H CA 0.000 55.979 56.048 -0.114 0.000 1.023 669 H CB 0.000 29.618 29.762 -0.239 0.000 1.292 669 H HN 0.000 nan 8.280 nan 0.000 0.496