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 2wft_1_A DATA FIRST_RESID 214 DATA SEQUENCE HNcFcIQEVV SGLRQPVGAL HSGDGSQRLF ILEKEGYVKI LTPEGEIFKE DATA SEQUENCE PYLDIHKLVQ SGIKGGDERG LLSLAFHPNY KKNGKLYVSY TTNXXXXXXX DATA SEQUENCE XHDHILRVVE YTVSRKNPHQ VDLRTARVFL EVAELHRKHL GGQLLFGPDG DATA SEQUENCE FLYIILGDGM ITLDDMEEMD GLSDFTGSVL RLDVDTDMcN VPYSIPRSNP DATA SEQUENCE HFNSTNQPPE VFAHGLHDPG RcAVDRHPTD ININLTILcS DSNXXXRSSA DATA SEQUENCE RILQIIXXXX XXXXXSLLEF KPFSNGPLVG GFVYRGcQSE RLYGSYVFGD DATA SEQUENCE RNGNFLTLQQ SPVTKQWQEK PLcLGTSGSc RGYFSGHILG FGEDELGEVY DATA SEQUENCE ILSSSKSMTQ THNGKLYKIV DPKRPLMPEE cRATVQPAQT LTSEcSRLcR DATA SEQUENCE NGYcTPTGKc ccSPGWEGDF cRTAKcEPAc RHGGVcVRPN KcLcKKGYLG DATA SEQUENCE PQcEQVDR 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 0.000 175.283 175.328 -0.074 0.000 0.993 214 H CA 0.000 56.023 56.048 -0.043 0.000 1.023 214 H CB 0.000 29.740 29.762 -0.036 0.000 1.292 215 N N 0.330 119.051 118.700 0.034 0.000 2.200 215 N HA 0.122 4.862 4.740 -0.000 0.000 0.224 215 N C -0.165 175.261 175.510 -0.140 0.000 1.179 215 N CA 0.142 53.159 53.050 -0.055 0.000 0.877 215 N CB 0.715 39.198 38.487 -0.007 0.000 1.072 215 N HN 0.156 nan 8.380 nan 0.000 0.519 216 c N 0.689 119.235 118.600 -0.090 0.000 2.649 216 c HA 0.343 4.913 4.570 -0.000 0.000 0.377 216 c C 0.818 174.775 174.090 -0.221 0.000 1.321 216 c CA -0.180 56.122 56.329 -0.045 0.000 2.368 216 c CB -0.424 42.098 42.510 0.021 0.000 2.597 216 c HN 0.162 nan 8.230 nan 0.000 0.678 217 F N 0.255 120.176 119.950 -0.047 0.000 2.509 217 F HA 0.619 5.146 4.527 -0.000 0.000 0.334 217 F C 0.816 176.571 175.800 -0.076 0.000 1.060 217 F CA -0.335 57.615 58.000 -0.083 0.000 0.997 217 F CB 0.857 39.771 39.000 -0.144 0.000 1.271 217 F HN 0.751 nan 8.300 nan 0.000 0.488 218 c N -0.026 118.643 118.600 0.116 0.000 3.108 218 c HA 0.891 5.461 4.570 -0.000 0.000 0.321 218 c C -0.935 173.155 174.090 0.000 0.000 1.357 218 c CA -1.093 55.255 56.329 0.031 0.000 1.562 218 c CB 1.176 43.684 42.510 -0.002 0.000 2.003 218 c HN 0.630 nan 8.230 nan 0.000 0.460 219 I N 1.472 122.021 120.570 -0.034 0.000 2.436 219 I HA 0.532 4.702 4.170 -0.000 0.000 0.289 219 I C -0.357 175.774 176.117 0.022 0.000 1.010 219 I CA 0.153 61.431 61.300 -0.036 0.000 1.098 219 I CB 1.729 39.662 38.000 -0.111 0.000 1.266 219 I HN 0.763 nan 8.210 nan 0.000 0.434 220 Q N 4.592 124.446 119.800 0.091 0.000 2.316 220 Q HA 0.369 4.709 4.340 -0.000 0.000 0.264 220 Q C -0.646 175.494 176.000 0.234 0.000 0.987 220 Q CA -0.559 55.321 55.803 0.129 0.000 0.852 220 Q CB 1.539 30.308 28.738 0.052 0.000 1.287 220 Q HN 0.550 nan 8.270 nan 0.000 0.448 221 E N 2.320 122.633 120.200 0.188 0.000 2.338 221 E HA 0.168 4.518 4.350 -0.000 0.000 0.272 221 E C -0.574 175.981 176.600 -0.076 0.000 1.029 221 E CA -0.132 56.228 56.400 -0.066 0.000 0.872 221 E CB 0.810 30.421 29.700 -0.148 0.000 1.015 221 E HN 0.563 nan 8.360 nan 0.000 0.417 222 V N 4.218 124.051 119.914 -0.134 0.000 2.996 222 V HA 0.112 4.232 4.120 -0.000 0.000 0.235 222 V C 0.332 176.359 176.094 -0.110 0.000 1.205 222 V CA 0.618 62.880 62.300 -0.063 0.000 1.225 222 V CB 1.161 33.001 31.823 0.029 0.000 0.995 222 V HN 0.669 nan 8.190 nan 0.000 0.484 223 V N -1.132 118.685 119.914 -0.162 0.000 3.147 223 V HA 0.949 5.069 4.120 -0.000 0.000 0.306 223 V C -0.816 175.169 176.094 -0.181 0.000 1.209 223 V CA 0.029 62.237 62.300 -0.154 0.000 1.023 223 V CB 2.146 33.883 31.823 -0.144 0.000 1.059 223 V HN 0.372 nan 8.190 nan 0.000 0.435 224 S N 0.587 116.206 115.700 -0.136 0.000 2.811 224 S HA 0.911 5.381 4.470 -0.000 0.000 0.311 224 S C 0.844 175.397 174.600 -0.079 0.000 1.152 224 S CA -0.089 58.042 58.200 -0.116 0.000 0.864 224 S CB 1.111 64.255 63.200 -0.092 0.000 1.226 224 S HN 2.884 nan 8.310 nan 0.000 0.541 225 G N -0.142 108.629 108.800 -0.048 0.000 2.153 225 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.252 225 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.252 225 G C -0.149 174.733 174.900 -0.031 0.000 0.994 225 G CA 0.407 45.493 45.100 -0.024 0.000 0.698 225 G HN 0.745 nan 8.290 nan 0.000 0.521 226 L N -0.735 120.462 121.223 -0.044 0.000 2.453 226 L HA 0.549 4.889 4.340 -0.000 0.000 0.261 226 L C 1.104 177.960 176.870 -0.024 0.000 1.179 226 L CA -0.772 54.033 54.840 -0.058 0.000 0.813 226 L CB 0.521 42.543 42.059 -0.062 0.000 1.110 226 L HN 0.133 nan 8.230 nan 0.000 0.466 227 R N 1.502 121.960 120.500 -0.070 0.000 2.204 227 R HA 0.213 4.553 4.340 -0.000 0.000 0.341 227 R C -0.684 175.622 176.300 0.011 0.000 1.035 227 R CA -0.577 55.500 56.100 -0.040 0.000 0.887 227 R CB 0.599 30.791 30.300 -0.181 0.000 1.114 227 R HN 0.460 nan 8.270 nan 0.000 0.473 228 Q N 2.228 122.054 119.800 0.044 0.000 2.423 228 Q HA -0.162 4.178 4.340 -0.000 0.000 0.368 228 Q C -2.028 173.990 176.000 0.030 0.000 1.371 228 Q CA -0.068 55.762 55.803 0.045 0.000 1.106 228 Q CB -0.476 28.297 28.738 0.058 0.000 1.263 228 Q HN 0.454 nan 8.270 nan 0.000 0.325 229 P HA -0.006 nan 4.420 nan 0.000 0.275 229 P C 0.371 177.672 177.300 0.002 0.000 1.228 229 P CA 0.180 63.280 63.100 0.001 0.000 0.786 229 P CB 1.322 33.009 31.700 -0.021 0.000 0.927 230 V N -0.707 119.210 119.914 0.006 0.000 3.548 230 V HA 0.617 4.737 4.120 -0.000 0.000 0.279 230 V C 0.427 176.520 176.094 -0.000 0.000 1.446 230 V CA 0.794 63.096 62.300 0.004 0.000 1.023 230 V CB 0.009 31.844 31.823 0.021 0.000 0.820 230 V HN 0.806 nan 8.190 nan 0.000 0.438 231 G N -0.726 108.074 108.800 0.001 0.000 2.313 231 G HA2 0.728 4.688 3.960 -0.000 0.000 0.296 231 G HA3 0.728 4.688 3.960 -0.000 0.000 0.296 231 G C -1.364 173.541 174.900 0.008 0.000 1.356 231 G CA 0.098 45.204 45.100 0.010 0.000 0.833 231 G HN 1.436 nan 8.290 nan 0.000 0.552 232 A N -0.542 122.287 122.820 0.015 0.000 2.589 232 A HA 1.012 5.332 4.320 -0.000 0.000 0.296 232 A C -0.759 176.848 177.584 0.038 0.000 1.062 232 A CA 0.077 52.112 52.037 -0.002 0.000 0.686 232 A CB 1.388 20.319 19.000 -0.115 0.000 1.282 232 A HN 2.404 nan 8.150 nan 0.000 0.404 233 L N -0.490 120.789 121.223 0.092 0.000 2.720 233 L HA 0.862 5.202 4.340 -0.000 0.000 0.261 233 L C -0.652 176.339 176.870 0.202 0.000 1.046 233 L CA -1.152 53.761 54.840 0.121 0.000 0.886 233 L CB 1.556 43.655 42.059 0.067 0.000 1.493 233 L HN 1.087 nan 8.230 nan 0.000 0.407 234 H N -1.172 117.943 119.070 0.076 0.000 2.649 234 H HA 0.701 5.257 4.556 -0.000 0.000 0.337 234 H C 0.313 175.487 175.328 -0.257 0.000 1.282 234 H CA -0.308 55.747 56.048 0.011 0.000 1.333 234 H CB 1.459 31.199 29.762 -0.037 0.000 1.787 234 H HN 0.638 nan 8.280 nan 0.000 0.632 235 S N -1.316 114.112 115.700 -0.453 0.000 2.650 235 S HA 0.239 4.709 4.470 -0.000 0.000 0.240 235 S C 1.555 175.927 174.600 -0.380 0.000 1.007 235 S CA -0.115 57.406 58.200 -1.132 0.000 0.984 235 S CB -0.451 61.692 63.200 -1.762 0.000 0.910 235 S HN 1.355 nan 8.310 nan 0.000 0.509 236 G N 3.073 111.926 108.800 0.087 0.000 2.225 236 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.272 236 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.272 236 G C 0.294 175.251 174.900 0.095 0.000 0.996 236 G CA 0.705 45.903 45.100 0.165 0.000 0.710 236 G HN 0.821 nan 8.290 nan 0.000 0.522 237 D N -0.998 119.451 120.400 0.081 0.000 2.325 237 D HA 0.388 5.028 4.640 -0.000 0.000 0.225 237 D C 1.767 178.107 176.300 0.068 0.000 1.096 237 D CA 0.324 54.387 54.000 0.106 0.000 0.844 237 D CB -0.510 40.398 40.800 0.180 0.000 0.925 237 D HN 1.394 nan 8.370 nan 0.000 0.513 238 G N 0.409 109.237 108.800 0.046 0.000 2.205 238 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.261 238 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.261 238 G C 1.191 176.100 174.900 0.014 0.000 0.980 238 G CA 0.757 45.870 45.100 0.021 0.000 0.632 238 G HN 0.727 nan 8.290 nan 0.000 0.533 239 S N -0.353 115.365 115.700 0.030 0.000 2.528 239 S HA 0.211 4.681 4.470 -0.000 0.000 0.219 239 S C 1.373 175.965 174.600 -0.013 0.000 0.985 239 S CA 1.312 59.530 58.200 0.029 0.000 0.914 239 S CB -0.128 63.116 63.200 0.075 0.000 0.776 239 S HN 1.030 nan 8.310 nan 0.000 0.526 240 Q N -0.196 119.585 119.800 -0.031 0.000 2.452 240 Q HA -0.196 4.144 4.340 -0.000 0.000 0.248 240 Q C -0.380 175.553 176.000 -0.111 0.000 0.874 240 Q CA 0.684 56.446 55.803 -0.069 0.000 1.208 240 Q CB -1.410 27.289 28.738 -0.066 0.000 1.569 240 Q HN 0.671 nan 8.270 nan 0.000 0.579 241 R N 0.466 120.886 120.500 -0.133 0.000 2.679 241 R HA 0.318 4.658 4.340 -0.000 0.000 0.268 241 R C -0.127 175.993 176.300 -0.301 0.000 1.044 241 R CA 0.026 55.939 56.100 -0.312 0.000 1.105 241 R CB 0.355 30.397 30.300 -0.429 0.000 0.989 241 R HN 0.070 nan 8.270 nan 0.000 0.447 242 L N 3.260 124.214 121.223 -0.447 0.000 2.356 242 L HA 0.418 4.758 4.340 -0.000 0.000 0.277 242 L C -1.500 175.117 176.870 -0.423 0.000 0.996 242 L CA -0.300 54.367 54.840 -0.288 0.000 0.822 242 L CB 1.244 43.121 42.059 -0.303 0.000 1.256 242 L HN 0.365 nan 8.230 nan 0.000 0.413 243 F N 6.030 125.895 119.950 -0.142 0.000 2.391 243 F HA 0.508 5.035 4.527 -0.000 0.000 0.359 243 F C 0.193 175.953 175.800 -0.066 0.000 1.122 243 F CA -0.397 57.549 58.000 -0.090 0.000 1.120 243 F CB 0.911 39.919 39.000 0.013 0.000 1.142 243 F HN 0.239 nan 8.300 nan 0.000 0.483 244 I N 5.223 125.815 120.570 0.038 0.000 2.312 244 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 244 I C -0.762 175.385 176.117 0.050 0.000 1.008 244 I CA -0.800 60.498 61.300 -0.005 0.000 1.226 244 I CB 1.154 39.103 38.000 -0.086 0.000 1.371 244 I HN 0.303 nan 8.210 nan 0.000 0.468 245 L N 7.175 128.429 121.223 0.052 0.000 2.305 245 L HA 0.282 4.622 4.340 -0.000 0.000 0.281 245 L C 0.226 177.126 176.870 0.051 0.000 1.085 245 L CA 0.314 55.192 54.840 0.063 0.000 0.813 245 L CB 0.406 42.495 42.059 0.050 0.000 1.157 245 L HN 0.525 nan 8.230 nan 0.000 0.436 246 E N 2.128 122.378 120.200 0.083 0.000 2.183 246 E HA 0.183 4.533 4.350 -0.000 0.000 0.271 246 E C 0.258 176.919 176.600 0.102 0.000 0.919 246 E CA -0.549 55.908 56.400 0.094 0.000 0.781 246 E CB 1.953 31.728 29.700 0.125 0.000 1.140 246 E HN 0.410 nan 8.360 nan 0.000 0.402 247 K N 2.450 122.896 120.400 0.077 0.000 2.097 247 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 247 K C 1.147 177.778 176.600 0.051 0.000 1.049 247 K CA 1.493 57.814 56.287 0.056 0.000 0.933 247 K CB 0.189 32.718 32.500 0.048 0.000 0.717 247 K HN 0.463 nan 8.250 nan 0.000 0.442 248 E N -1.105 119.150 120.200 0.091 0.000 2.331 248 E HA -0.099 4.251 4.350 -0.000 0.000 0.199 248 E C 0.376 176.927 176.600 -0.082 0.000 1.008 248 E CA 0.786 57.228 56.400 0.069 0.000 0.843 248 E CB 0.092 29.906 29.700 0.190 0.000 0.761 248 E HN 0.591 nan 8.360 nan 0.000 0.507 249 G N -0.084 108.639 108.800 -0.128 0.000 2.330 249 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.125 249 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.125 249 G C -0.891 173.726 174.900 -0.473 0.000 1.060 249 G CA -0.790 44.121 45.100 -0.315 0.000 0.743 249 G HN 0.109 nan 8.290 nan 0.000 0.480 250 Y N -1.148 119.123 120.300 -0.048 0.000 2.512 250 Y HA 0.682 5.232 4.550 -0.000 0.000 0.348 250 Y C 0.109 176.007 175.900 -0.005 0.000 0.990 250 Y CA -1.419 56.656 58.100 -0.043 0.000 1.033 250 Y CB 2.555 40.978 38.460 -0.061 0.000 1.259 250 Y HN 0.093 nan 8.280 nan 0.000 0.461 251 V N 3.152 123.188 119.914 0.204 0.000 2.407 251 V HA 0.391 4.511 4.120 -0.000 0.000 0.291 251 V C -0.506 175.739 176.094 0.251 0.000 1.018 251 V CA -1.267 61.173 62.300 0.232 0.000 0.842 251 V CB 1.261 33.279 31.823 0.326 0.000 0.996 251 V HN 0.677 nan 8.190 nan 0.000 0.426 252 K N 4.521 125.000 120.400 0.132 0.000 2.095 252 K HA 0.702 5.022 4.320 -0.000 0.000 0.252 252 K C -0.877 175.669 176.600 -0.090 0.000 0.977 252 K CA -0.657 55.653 56.287 0.039 0.000 0.900 252 K CB 2.219 34.694 32.500 -0.042 0.000 1.060 252 K HN 0.489 nan 8.250 nan 0.000 0.449 253 I N 2.647 123.091 120.570 -0.209 0.000 2.412 253 I HA 0.248 4.418 4.170 -0.000 0.000 0.296 253 I C -0.942 174.814 176.117 -0.601 0.000 0.987 253 I CA -1.033 59.934 61.300 -0.555 0.000 1.180 253 I CB 1.378 39.000 38.000 -0.630 0.000 1.340 253 I HN 0.311 nan 8.210 nan 0.000 0.455 254 L N 6.885 127.744 121.223 -0.607 0.000 2.325 254 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 254 L C 0.332 176.879 176.870 -0.538 0.000 1.004 254 L CA 0.001 54.537 54.840 -0.507 0.000 0.823 254 L CB 1.694 43.534 42.059 -0.365 0.000 1.236 254 L HN 0.722 nan 8.230 nan 0.000 0.415 255 T N 2.091 116.318 114.554 -0.544 0.000 2.828 255 T HA 0.396 4.746 4.350 -0.000 0.000 0.290 255 T C -1.843 172.709 174.700 -0.247 0.000 1.019 255 T CA -1.271 60.583 62.100 -0.411 0.000 1.031 255 T CB 0.760 69.408 68.868 -0.366 0.000 1.001 255 T HN 0.578 nan 8.240 nan 0.000 0.531 256 P HA 0.002 nan 4.420 nan 0.000 0.222 256 P C 1.185 178.434 177.300 -0.085 0.000 1.147 256 P CA 0.719 63.753 63.100 -0.110 0.000 0.790 256 P CB 0.104 31.756 31.700 -0.081 0.000 0.780 257 E N -1.267 118.878 120.200 -0.092 0.000 2.371 257 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 257 E C 1.527 178.080 176.600 -0.078 0.000 1.012 257 E CA 0.910 57.270 56.400 -0.068 0.000 0.860 257 E CB -0.395 29.275 29.700 -0.050 0.000 0.811 257 E HN 0.279 nan 8.360 nan 0.000 0.502 258 G N 1.340 110.070 108.800 -0.117 0.000 2.154 258 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.186 258 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.186 258 G C -0.068 174.754 174.900 -0.131 0.000 1.000 258 G CA -0.343 44.686 45.100 -0.119 0.000 0.664 258 G HN 0.058 nan 8.290 nan 0.000 0.513 259 E N 0.176 120.287 120.200 -0.148 0.000 2.313 259 E HA 0.472 4.822 4.350 -0.000 0.000 0.276 259 E C 0.444 176.900 176.600 -0.241 0.000 1.031 259 E CA -0.258 56.059 56.400 -0.137 0.000 0.857 259 E CB 1.359 31.024 29.700 -0.057 0.000 1.040 259 E HN 0.421 nan 8.360 nan 0.000 0.408 260 I N 3.852 124.325 120.570 -0.162 0.000 2.321 260 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 260 I C -0.020 176.083 176.117 -0.024 0.000 0.998 260 I CA -0.707 60.482 61.300 -0.184 0.000 1.227 260 I CB 0.483 38.397 38.000 -0.142 0.000 1.368 260 I HN 0.212 nan 8.210 nan 0.000 0.466 261 F N 5.814 125.678 119.950 -0.142 0.000 2.518 261 F HA 0.045 4.572 4.527 -0.000 0.000 0.359 261 F C 1.647 177.396 175.800 -0.085 0.000 1.118 261 F CA -0.793 57.133 58.000 -0.122 0.000 1.287 261 F CB 0.536 39.451 39.000 -0.143 0.000 1.132 261 F HN 0.492 nan 8.300 nan 0.000 0.587 262 K N 0.690 121.158 120.400 0.114 0.000 2.155 262 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 262 K C -0.006 176.609 176.600 0.025 0.000 1.052 262 K CA 1.032 57.337 56.287 0.031 0.000 0.948 262 K CB 0.050 32.548 32.500 -0.003 0.000 0.728 262 K HN 0.350 nan 8.250 nan 0.000 0.448 263 E N 2.501 122.727 120.200 0.043 0.000 2.229 263 E HA 0.233 4.583 4.350 -0.000 0.000 0.283 263 E C -2.350 174.321 176.600 0.119 0.000 1.030 263 E CA -2.561 53.874 56.400 0.057 0.000 0.836 263 E CB 1.075 30.800 29.700 0.042 0.000 1.068 263 E HN 0.132 nan 8.360 nan 0.000 0.401 264 P HA -0.080 nan 4.420 nan 0.000 0.265 264 P C 0.379 177.817 177.300 0.231 0.000 1.187 264 P CA 0.319 63.519 63.100 0.166 0.000 0.766 264 P CB 0.328 32.134 31.700 0.177 0.000 0.820 265 Y N 3.813 124.211 120.300 0.163 0.000 2.181 265 Y HA 0.010 4.560 4.550 -0.000 0.000 0.288 265 Y C 0.541 176.510 175.900 0.114 0.000 1.146 265 Y CA 0.861 59.091 58.100 0.216 0.000 1.164 265 Y CB 0.194 38.875 38.460 0.367 0.000 0.982 265 Y HN 0.218 nan 8.280 nan 0.000 0.515 266 L N 1.185 122.437 121.223 0.048 0.000 2.438 266 L HA 0.368 4.708 4.340 -0.000 0.000 0.270 266 L C -2.046 174.773 176.870 -0.085 0.000 0.972 266 L CA -0.610 54.121 54.840 -0.181 0.000 0.831 266 L CB 1.878 43.759 42.059 -0.296 0.000 1.273 266 L HN -0.003 nan 8.230 nan 0.000 0.405 267 D N 5.248 125.568 120.400 -0.133 0.000 2.420 267 D HA 0.358 4.998 4.640 -0.000 0.000 0.255 267 D C -0.176 176.008 176.300 -0.194 0.000 1.185 267 D CA -0.199 53.738 54.000 -0.105 0.000 0.904 267 D CB 0.858 41.693 40.800 0.059 0.000 1.102 267 D HN 0.574 nan 8.370 nan 0.000 0.534 268 I N 1.448 121.828 120.570 -0.315 0.000 3.569 268 I HA 0.268 4.438 4.170 -0.000 0.000 0.334 268 I C 1.303 177.203 176.117 -0.361 0.000 1.570 268 I CA -0.636 60.462 61.300 -0.338 0.000 1.082 268 I CB 0.196 37.923 38.000 -0.456 0.000 1.323 268 I HN 0.234 nan 8.210 nan 0.000 0.489 269 H N 1.618 120.384 119.070 -0.506 0.000 2.521 269 H HA 0.065 4.621 4.556 -0.000 0.000 0.286 269 H C 0.978 176.166 175.328 -0.234 0.000 1.034 269 H CA 0.871 56.643 56.048 -0.459 0.000 1.278 269 H CB -0.089 29.293 29.762 -0.633 0.000 1.386 269 H HN 0.500 nan 8.280 nan 0.000 0.567 270 K N 0.936 120.905 120.400 -0.718 0.000 2.044 270 K HA 0.058 4.378 4.320 -0.000 0.000 0.204 270 K C 2.567 179.023 176.600 -0.240 0.000 1.049 270 K CA 0.921 56.904 56.287 -0.507 0.000 0.945 270 K CB 0.158 32.401 32.500 -0.429 0.000 0.724 270 K HN 0.246 nan 8.250 nan 0.000 0.440 271 L N 1.676 122.780 121.223 -0.199 0.000 2.131 271 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 271 L C 1.497 178.363 176.870 -0.006 0.000 1.092 271 L CA 0.404 55.203 54.840 -0.069 0.000 0.759 271 L CB -0.774 41.255 42.059 -0.050 0.000 0.903 271 L HN 0.026 nan 8.230 nan 0.000 0.435 272 V N -0.068 119.776 119.914 -0.116 0.000 2.546 272 V HA 0.254 4.374 4.120 -0.000 0.000 0.284 272 V C -0.097 175.996 176.094 -0.001 0.000 1.050 272 V CA -0.603 61.698 62.300 0.002 0.000 0.981 272 V CB 1.386 33.170 31.823 -0.064 0.000 0.990 272 V HN 0.252 nan 8.190 nan 0.000 0.474 273 Q N 4.959 124.780 119.800 0.035 0.000 2.406 273 Q HA 0.418 4.758 4.340 -0.000 0.000 0.242 273 Q C 0.288 176.277 176.000 -0.017 0.000 1.036 273 Q CA 0.215 56.019 55.803 0.000 0.000 0.904 273 Q CB 0.806 29.540 28.738 -0.008 0.000 1.244 273 Q HN 1.055 nan 8.270 nan 0.000 0.478 274 S N 1.578 117.277 115.700 -0.002 0.000 2.136 274 S HA 0.805 5.275 4.470 -0.000 0.000 0.205 274 S C 0.348 174.946 174.600 -0.003 0.000 1.346 274 S CA -0.088 58.115 58.200 0.005 0.000 1.084 274 S CB -0.057 63.161 63.200 0.030 0.000 0.767 274 S HN 0.823 nan 8.310 nan 0.000 0.423 275 G N -0.820 107.989 108.800 0.015 0.000 2.442 275 G HA2 0.454 4.414 3.960 -0.000 0.000 0.296 275 G HA3 0.454 4.414 3.960 -0.000 0.000 0.296 275 G C 0.002 174.920 174.900 0.029 0.000 1.564 275 G CA -0.534 44.575 45.100 0.015 0.000 0.828 275 G HN 0.529 nan 8.290 nan 0.000 0.571 276 I N -1.487 119.101 120.570 0.030 0.000 3.194 276 I HA 0.380 4.550 4.170 -0.000 0.000 0.271 276 I C 0.973 177.110 176.117 0.033 0.000 1.150 276 I CA -0.006 61.315 61.300 0.035 0.000 1.440 276 I CB -0.318 37.702 38.000 0.034 0.000 1.276 276 I HN 0.182 nan 8.210 nan 0.000 0.457 277 K N 2.506 122.923 120.400 0.029 0.000 2.336 277 K HA 0.273 4.593 4.320 -0.000 0.000 0.262 277 K C 0.517 177.133 176.600 0.027 0.000 0.992 277 K CA 0.150 56.453 56.287 0.027 0.000 0.927 277 K CB 0.361 32.877 32.500 0.027 0.000 0.956 277 K HN 0.353 nan 8.250 nan 0.000 0.495 278 G N -0.295 108.518 108.800 0.023 0.000 2.544 278 G HA2 0.343 4.303 3.960 -0.000 0.000 0.242 278 G HA3 0.343 4.303 3.960 -0.000 0.000 0.242 278 G C 0.914 175.825 174.900 0.019 0.000 1.247 278 G CA 0.053 45.164 45.100 0.017 0.000 0.840 278 G HN 0.748 nan 8.290 nan 0.000 0.578 279 G N 0.825 109.637 108.800 0.020 0.000 2.304 279 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 279 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 279 G C 0.585 175.511 174.900 0.044 0.000 1.014 279 G CA 0.593 45.712 45.100 0.032 0.000 0.619 279 G HN 0.921 nan 8.290 nan 0.000 0.525 280 D N 1.825 122.247 120.400 0.037 0.000 2.367 280 D HA 0.297 4.937 4.640 -0.000 0.000 0.255 280 D C 1.496 177.816 176.300 0.032 0.000 1.300 280 D CA 0.050 54.073 54.000 0.038 0.000 0.959 280 D CB 0.081 40.898 40.800 0.029 0.000 1.064 280 D HN 0.617 nan 8.370 nan 0.000 0.509 281 E N 2.321 122.547 120.200 0.044 0.000 2.482 281 E HA -0.027 4.323 4.350 -0.000 0.000 0.196 281 E C 0.371 176.979 176.600 0.013 0.000 1.047 281 E CA 0.097 56.522 56.400 0.041 0.000 0.869 281 E CB 0.359 30.101 29.700 0.069 0.000 0.836 281 E HN 0.308 nan 8.360 nan 0.000 0.520 282 R N 0.727 121.209 120.500 -0.030 0.000 2.623 282 R HA 0.280 4.620 4.340 -0.000 0.000 0.271 282 R C 0.470 176.749 176.300 -0.036 0.000 1.043 282 R CA 0.627 56.669 56.100 -0.096 0.000 1.083 282 R CB 0.741 30.921 30.300 -0.200 0.000 0.974 282 R HN 0.166 nan 8.270 nan 0.000 0.436 283 G N 1.304 110.094 108.800 -0.017 0.000 2.398 283 G HA2 0.078 4.038 3.960 -0.000 0.000 0.251 283 G HA3 0.078 4.038 3.960 -0.000 0.000 0.251 283 G C -1.900 173.039 174.900 0.064 0.000 1.277 283 G CA -1.011 44.101 45.100 0.020 0.000 0.927 283 G HN 0.452 nan 8.290 nan 0.000 0.477 284 L N 1.278 122.530 121.223 0.049 0.000 2.410 284 L HA 0.625 4.965 4.340 -0.000 0.000 0.273 284 L C 0.859 177.767 176.870 0.064 0.000 1.152 284 L CA 0.169 55.048 54.840 0.065 0.000 0.855 284 L CB 0.421 42.485 42.059 0.008 0.000 1.129 284 L HN 0.560 nan 8.230 nan 0.000 0.463 285 L N 2.619 123.889 121.223 0.079 0.000 2.445 285 L HA 0.362 4.702 4.340 -0.000 0.000 0.207 285 L C 0.774 177.670 176.870 0.045 0.000 1.053 285 L CA 0.285 55.159 54.840 0.057 0.000 0.841 285 L CB 0.178 42.270 42.059 0.055 0.000 1.074 285 L HN 0.732 nan 8.230 nan 0.000 0.479 286 S N -0.788 114.937 115.700 0.042 0.000 2.611 286 S HA 0.655 5.125 4.470 -0.000 0.000 0.268 286 S C -2.340 172.263 174.600 0.005 0.000 1.156 286 S CA -0.397 57.816 58.200 0.022 0.000 0.817 286 S CB 1.729 64.936 63.200 0.013 0.000 1.122 286 S HN -0.035 nan 8.310 nan 0.000 0.466 287 L N 2.213 123.421 121.223 -0.025 0.000 2.482 287 L HA 0.924 5.264 4.340 -0.000 0.000 0.263 287 L C -1.250 175.557 176.870 -0.106 0.000 0.957 287 L CA -0.180 54.603 54.840 -0.095 0.000 0.836 287 L CB 1.235 43.216 42.059 -0.130 0.000 1.324 287 L HN 0.982 nan 8.230 nan 0.000 0.406 288 A N 4.045 126.793 122.820 -0.120 0.000 2.422 288 A HA 0.804 5.124 4.320 -0.000 0.000 0.302 288 A C -1.709 175.883 177.584 0.014 0.000 1.041 288 A CA -0.364 51.687 52.037 0.023 0.000 0.708 288 A CB 1.030 20.099 19.000 0.115 0.000 1.257 288 A HN 0.481 nan 8.150 nan 0.000 0.414 289 F N 2.054 122.057 119.950 0.089 0.000 2.421 289 F HA 0.315 4.842 4.527 -0.000 0.000 0.337 289 F C 1.176 177.026 175.800 0.083 0.000 1.105 289 F CA -0.009 57.985 58.000 -0.011 0.000 1.049 289 F CB 1.084 39.863 39.000 -0.367 0.000 1.139 289 F HN 0.667 nan 8.300 nan 0.000 0.479 290 H N 5.002 124.231 119.070 0.265 0.000 3.064 290 H HA -0.010 4.546 4.556 -0.000 0.000 0.329 290 H C -1.762 173.435 175.328 -0.219 0.000 1.020 290 H CA -0.831 55.148 56.048 -0.115 0.000 1.402 290 H CB 1.315 31.176 29.762 0.164 0.000 1.379 290 H HN 0.342 nan 8.280 nan 0.000 0.594 291 P HA -0.091 nan 4.420 nan 0.000 0.223 291 P C 0.461 177.838 177.300 0.128 0.000 1.144 291 P CA 1.424 64.391 63.100 -0.221 0.000 0.783 291 P CB 0.209 31.671 31.700 -0.396 0.000 0.771 292 N N -1.939 117.051 118.700 0.484 0.000 2.467 292 N HA 0.044 4.784 4.740 -0.000 0.000 0.278 292 N C 0.722 176.310 175.510 0.130 0.000 1.306 292 N CA -0.293 52.879 53.050 0.203 0.000 0.905 292 N CB -0.001 38.541 38.487 0.091 0.000 1.236 292 N HN -0.037 nan 8.380 nan 0.000 0.509 293 Y N 1.343 121.701 120.300 0.096 0.000 2.274 293 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 293 Y C 2.311 178.228 175.900 0.028 0.000 1.145 293 Y CA 1.662 59.809 58.100 0.079 0.000 1.203 293 Y CB 0.103 38.655 38.460 0.154 0.000 0.984 293 Y HN 0.032 nan 8.280 nan 0.000 0.533 294 K N 0.641 121.107 120.400 0.111 0.000 2.160 294 K HA -0.286 4.034 4.320 -0.000 0.000 0.206 294 K C 2.135 178.675 176.600 -0.100 0.000 1.047 294 K CA 2.036 58.325 56.287 0.004 0.000 0.930 294 K CB -0.139 32.391 32.500 0.049 0.000 0.720 294 K HN 0.449 nan 8.250 nan 0.000 0.450 295 K N 0.029 120.375 120.400 -0.090 0.000 2.190 295 K HA -0.055 4.265 4.320 -0.000 0.000 0.202 295 K C 1.524 178.034 176.600 -0.150 0.000 1.045 295 K CA 1.101 57.326 56.287 -0.103 0.000 0.976 295 K CB 0.014 32.477 32.500 -0.063 0.000 0.849 295 K HN 0.142 nan 8.250 nan 0.000 0.468 296 N N -0.405 118.192 118.700 -0.172 0.000 2.325 296 N HA 0.063 4.803 4.740 -0.000 0.000 0.182 296 N C 0.810 176.205 175.510 -0.192 0.000 1.088 296 N CA 0.835 53.782 53.050 -0.171 0.000 0.879 296 N CB 0.506 38.872 38.487 -0.201 0.000 0.983 296 N HN 0.357 nan 8.380 nan 0.000 0.471 297 G N 0.251 108.828 108.800 -0.370 0.000 2.225 297 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 297 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 297 G C -0.581 174.326 174.900 0.012 0.000 1.024 297 G CA 0.286 45.087 45.100 -0.497 0.000 0.784 297 G HN 0.348 nan 8.290 nan 0.000 0.507 298 K N 0.023 120.546 120.400 0.205 0.000 2.183 298 K HA 0.739 5.059 4.320 -0.000 0.000 0.274 298 K C 0.549 177.303 176.600 0.256 0.000 1.009 298 K CA -0.527 55.864 56.287 0.173 0.000 0.888 298 K CB 1.778 34.358 32.500 0.132 0.000 1.078 298 K HN 0.681 nan 8.250 nan 0.000 0.459 299 L N -0.671 120.457 121.223 -0.157 0.000 2.376 299 L HA 0.665 5.005 4.340 -0.000 0.000 0.258 299 L C -1.264 175.175 176.870 -0.719 0.000 1.013 299 L CA -1.223 53.434 54.840 -0.305 0.000 0.822 299 L CB 1.438 43.249 42.059 -0.414 0.000 1.388 299 L HN 0.325 nan 8.230 nan 0.000 0.413 300 Y N 0.919 121.148 120.300 -0.117 0.000 2.406 300 Y HA 0.737 5.287 4.550 -0.000 0.000 0.340 300 Y C -0.063 175.763 175.900 -0.124 0.000 0.975 300 Y CA -0.905 57.112 58.100 -0.138 0.000 1.056 300 Y CB 2.337 40.699 38.460 -0.163 0.000 1.210 300 Y HN 0.609 nan 8.280 nan 0.000 0.448 301 V N -0.403 119.544 119.914 0.056 0.000 2.960 301 V HA 0.964 5.084 4.120 -0.000 0.000 0.315 301 V C -0.594 175.571 176.094 0.117 0.000 1.087 301 V CA -1.018 61.333 62.300 0.084 0.000 0.982 301 V CB 1.935 33.833 31.823 0.125 0.000 1.039 301 V HN 0.764 nan 8.190 nan 0.000 0.437 302 S N 2.645 118.417 115.700 0.120 0.000 2.647 302 S HA 0.876 5.346 4.470 -0.000 0.000 0.300 302 S C -0.997 173.712 174.600 0.181 0.000 1.129 302 S CA -0.600 57.647 58.200 0.079 0.000 1.029 302 S CB 1.113 64.313 63.200 0.000 0.000 1.007 302 S HN 1.698 nan 8.310 nan 0.000 0.484 303 Y N -1.008 119.294 120.300 0.002 0.000 2.677 303 Y HA 0.864 5.414 4.550 0.000 0.000 0.334 303 Y C -0.450 175.455 175.900 0.008 0.000 1.154 303 Y CA -1.160 56.938 58.100 -0.004 0.000 1.070 303 Y CB 0.504 38.956 38.460 -0.013 0.000 1.294 303 Y HN 0.660 nan 8.280 nan 0.000 0.475 304 T N -0.786 113.832 114.554 0.107 0.000 2.824 304 T HA 0.651 5.001 4.350 -0.000 0.000 0.280 304 T C -0.466 174.288 174.700 0.090 0.000 0.995 304 T CA -0.368 61.734 62.100 0.002 0.000 1.009 304 T CB 1.581 70.328 68.868 -0.202 0.000 0.955 304 T HN 1.012 nan 8.240 nan 0.000 0.452 305 T N 1.771 116.369 114.554 0.073 0.000 2.841 305 T HA 0.505 4.855 4.350 -0.000 0.000 0.296 305 T C -0.964 173.800 174.700 0.107 0.000 1.166 305 T CA -0.798 61.373 62.100 0.119 0.000 1.007 305 T CB 1.674 70.639 68.868 0.162 0.000 1.253 305 T HN 0.637 nan 8.240 nan 0.000 0.511 316 D N 0.915 121.269 120.400 -0.076 0.000 2.091 316 D HA -0.061 4.579 4.640 -0.000 0.000 0.199 316 D C 0.750 177.101 176.300 0.086 0.000 0.980 316 D CA 1.549 55.545 54.000 -0.007 0.000 0.831 316 D CB 0.594 41.388 40.800 -0.011 0.000 0.987 316 D HN 0.696 nan 8.370 nan 0.000 0.460 317 H N -2.654 116.423 119.070 0.011 0.000 2.902 317 H HA 0.387 4.943 4.556 -0.000 0.000 0.297 317 H C -1.536 173.806 175.328 0.022 0.000 1.406 317 H CA -0.964 55.097 56.048 0.023 0.000 1.134 317 H CB 0.253 30.026 29.762 0.018 0.000 1.833 317 H HN -0.026 nan 8.280 nan 0.000 0.527 318 I N 1.185 121.874 120.570 0.198 0.000 2.530 318 I HA 0.267 4.437 4.170 -0.000 0.000 0.297 318 I C -0.599 175.598 176.117 0.134 0.000 1.011 318 I CA -0.779 60.581 61.300 0.099 0.000 1.107 318 I CB 2.007 40.037 38.000 0.051 0.000 1.285 318 I HN 0.510 nan 8.210 nan 0.000 0.436 319 L N 7.128 128.392 121.223 0.068 0.000 2.287 319 L HA 0.519 4.859 4.340 -0.000 0.000 0.280 319 L C -0.183 176.617 176.870 -0.117 0.000 1.055 319 L CA -0.390 54.451 54.840 0.002 0.000 0.863 319 L CB -0.215 41.876 42.059 0.052 0.000 1.245 319 L HN 0.579 nan 8.230 nan 0.000 0.432 320 R N 2.922 123.239 120.500 -0.305 0.000 2.560 320 R HA 0.560 4.900 4.340 -0.000 0.000 0.270 320 R C -1.034 175.103 176.300 -0.272 0.000 1.074 320 R CA -0.638 55.262 56.100 -0.334 0.000 1.140 320 R CB 1.780 31.738 30.300 -0.571 0.000 1.073 320 R HN 0.374 nan 8.270 nan 0.000 0.527 321 V N 2.793 122.614 119.914 -0.154 0.000 2.447 321 V HA 0.289 4.409 4.120 -0.000 0.000 0.292 321 V C -0.543 175.492 176.094 -0.097 0.000 1.021 321 V CA -0.665 61.571 62.300 -0.108 0.000 0.850 321 V CB 1.779 33.538 31.823 -0.105 0.000 1.005 321 V HN 0.429 nan 8.190 nan 0.000 0.426 322 V N 3.472 123.330 119.914 -0.094 0.000 2.769 322 V HA 0.513 4.633 4.120 -0.000 0.000 0.312 322 V C -0.073 175.819 176.094 -0.336 0.000 1.061 322 V CA -0.780 61.413 62.300 -0.178 0.000 0.931 322 V CB 2.251 34.035 31.823 -0.065 0.000 1.010 322 V HN 0.882 nan 8.190 nan 0.000 0.433 323 E N 1.835 121.700 120.200 -0.559 0.000 2.249 323 E HA 0.470 4.820 4.350 -0.000 0.000 0.280 323 E C -1.863 174.404 176.600 -0.555 0.000 1.016 323 E CA -0.301 55.699 56.400 -0.667 0.000 0.830 323 E CB 1.202 30.526 29.700 -0.627 0.000 1.081 323 E HN 0.613 nan 8.360 nan 0.000 0.395 324 Y N 0.654 120.723 120.300 -0.385 0.000 2.602 324 Y HA 0.362 4.912 4.550 -0.000 0.000 0.342 324 Y C -0.153 175.633 175.900 -0.191 0.000 1.029 324 Y CA -0.576 57.385 58.100 -0.231 0.000 1.080 324 Y CB 2.581 40.916 38.460 -0.208 0.000 1.284 324 Y HN 0.339 nan 8.280 nan 0.000 0.485 325 T N 1.517 116.132 114.554 0.101 0.000 2.848 325 T HA 0.364 4.714 4.350 -0.000 0.000 0.285 325 T C -0.870 173.867 174.700 0.061 0.000 0.995 325 T CA -0.591 61.542 62.100 0.055 0.000 0.970 325 T CB 1.593 70.472 68.868 0.020 0.000 0.976 325 T HN 0.516 nan 8.240 nan 0.000 0.441 326 V N 3.402 123.372 119.914 0.092 0.000 3.139 326 V HA 0.377 4.497 4.120 -0.000 0.000 0.307 326 V C 0.833 176.941 176.094 0.024 0.000 1.095 326 V CA 0.011 62.367 62.300 0.093 0.000 1.160 326 V CB 1.334 33.295 31.823 0.231 0.000 1.003 326 V HN 1.083 nan 8.190 nan 0.000 0.489 327 S N 5.009 120.717 115.700 0.014 0.000 2.572 327 S HA 0.149 4.619 4.470 -0.000 0.000 0.279 327 S C 1.076 175.668 174.600 -0.012 0.000 1.341 327 S CA 0.497 58.696 58.200 -0.001 0.000 1.043 327 S CB 0.561 63.761 63.200 -0.002 0.000 0.887 327 S HN 0.861 nan 8.310 nan 0.000 0.516 328 R N 2.219 122.703 120.500 -0.026 0.000 2.148 328 R HA 0.078 4.418 4.340 -0.000 0.000 0.223 328 R C 1.661 177.937 176.300 -0.039 0.000 1.088 328 R CA 1.238 57.313 56.100 -0.041 0.000 0.985 328 R CB -0.074 30.200 30.300 -0.045 0.000 0.880 328 R HN 0.713 nan 8.270 nan 0.000 0.451 329 K N -0.992 119.391 120.400 -0.028 0.000 2.361 329 K HA 0.052 4.372 4.320 -0.000 0.000 0.194 329 K C -0.188 176.398 176.600 -0.023 0.000 1.032 329 K CA 0.099 56.370 56.287 -0.026 0.000 1.048 329 K CB 0.458 32.946 32.500 -0.020 0.000 0.842 329 K HN -0.040 nan 8.250 nan 0.000 0.526 330 N N 0.108 118.798 118.700 -0.017 0.000 2.699 330 N HA 0.147 4.887 4.740 -0.000 0.000 0.271 330 N C -2.726 172.782 175.510 -0.002 0.000 1.216 330 N CA -1.649 51.395 53.050 -0.011 0.000 0.844 330 N CB 1.634 40.135 38.487 0.023 0.000 1.462 330 N HN -0.294 nan 8.380 nan 0.000 0.555 331 P HA -0.073 nan 4.420 nan 0.000 0.226 331 P C 0.109 177.452 177.300 0.070 0.000 1.146 331 P CA 1.177 64.201 63.100 -0.127 0.000 0.773 331 P CB 0.103 31.569 31.700 -0.389 0.000 0.772 332 H N -2.242 117.017 119.070 0.314 0.000 2.672 332 H HA 0.358 4.914 4.556 -0.000 0.000 0.277 332 H C 0.372 175.995 175.328 0.491 0.000 1.074 332 H CA 0.071 56.375 56.048 0.428 0.000 1.173 332 H CB 0.596 30.517 29.762 0.264 0.000 1.558 332 H HN 0.245 nan 8.280 nan 0.000 0.539 333 Q N 1.044 121.084 119.800 0.400 0.000 2.309 333 Q HA 0.370 4.710 4.340 -0.000 0.000 0.273 333 Q C -0.948 175.012 176.000 -0.067 0.000 1.040 333 Q CA -0.747 55.144 55.803 0.147 0.000 0.834 333 Q CB 3.165 31.961 28.738 0.096 0.000 1.345 333 Q HN 0.143 nan 8.270 nan 0.000 0.414 334 V N 1.015 120.700 119.914 -0.381 0.000 2.686 334 V HA 0.407 4.527 4.120 -0.000 0.000 0.295 334 V C -0.345 175.644 176.094 -0.175 0.000 1.057 334 V CA -0.407 61.693 62.300 -0.334 0.000 1.012 334 V CB 1.686 33.176 31.823 -0.556 0.000 1.006 334 V HN 0.852 nan 8.190 nan 0.000 0.477 335 D N 3.768 124.128 120.400 -0.068 0.000 2.359 335 D HA 0.164 4.804 4.640 -0.000 0.000 0.250 335 D C 1.063 177.389 176.300 0.044 0.000 1.264 335 D CA 0.224 54.218 54.000 -0.011 0.000 0.911 335 D CB 0.827 41.634 40.800 0.012 0.000 1.056 335 D HN 0.694 nan 8.370 nan 0.000 0.499 336 L N 3.421 124.650 121.223 0.010 0.000 2.261 336 L HA -0.139 4.201 4.340 -0.000 0.000 0.216 336 L C 2.354 179.334 176.870 0.183 0.000 1.114 336 L CA 0.878 55.769 54.840 0.086 0.000 0.777 336 L CB -0.080 41.977 42.059 -0.003 0.000 0.910 336 L HN 0.267 nan 8.230 nan 0.000 0.440 337 R N -0.615 119.940 120.500 0.091 0.000 2.148 337 R HA -0.096 4.244 4.340 -0.000 0.000 0.227 337 R C 2.143 178.465 176.300 0.036 0.000 1.103 337 R CA 1.571 57.705 56.100 0.056 0.000 0.983 337 R CB -0.485 29.833 30.300 0.029 0.000 0.874 337 R HN 0.436 nan 8.270 nan 0.000 0.451 338 T N -1.621 112.965 114.554 0.054 0.000 3.160 338 T HA 0.240 4.590 4.350 -0.000 0.000 0.257 338 T C 0.860 175.453 174.700 -0.178 0.000 1.147 338 T CA 0.135 62.229 62.100 -0.011 0.000 1.064 338 T CB -0.157 68.730 68.868 0.030 0.000 0.949 338 T HN 0.191 nan 8.240 nan 0.000 0.526 339 A N 1.429 124.054 122.820 -0.325 0.000 2.583 339 A HA 0.399 4.719 4.320 -0.000 0.000 0.231 339 A C 0.630 177.995 177.584 -0.364 0.000 1.065 339 A CA -0.039 51.586 52.037 -0.686 0.000 0.760 339 A CB -0.105 18.579 19.000 -0.527 0.000 1.001 339 A HN 0.656 nan 8.150 nan 0.000 0.509 340 R N 1.903 122.196 120.500 -0.344 0.000 3.190 340 R HA 0.337 4.676 4.340 -0.000 0.000 0.244 340 R C -1.630 174.680 176.300 0.016 0.000 1.788 340 R CA -0.352 55.649 56.100 -0.165 0.000 1.160 340 R CB 0.731 30.925 30.300 -0.177 0.000 1.494 340 R HN 0.589 nan 8.270 nan 0.000 0.499 341 V N 5.113 125.050 119.914 0.038 0.000 2.655 341 V HA 0.091 4.211 4.120 -0.000 0.000 0.300 341 V C 0.878 177.217 176.094 0.409 0.000 1.044 341 V CA 1.015 63.391 62.300 0.125 0.000 1.095 341 V CB 0.834 32.689 31.823 0.053 0.000 0.952 341 V HN 0.687 nan 8.190 nan 0.000 0.485 342 F N 3.166 123.127 119.950 0.018 0.000 2.490 342 F HA 0.390 4.917 4.527 -0.000 0.000 0.280 342 F C 0.606 176.460 175.800 0.091 0.000 1.030 342 F CA -0.133 57.926 58.000 0.098 0.000 1.367 342 F CB 0.595 39.613 39.000 0.030 0.000 1.131 342 F HN 0.256 nan 8.300 nan 0.000 0.632 343 L N 0.269 121.603 121.223 0.186 0.000 2.393 343 L HA 0.461 4.801 4.340 -0.000 0.000 0.260 343 L C -1.292 175.602 176.870 0.041 0.000 1.002 343 L CA -0.739 54.144 54.840 0.071 0.000 0.818 343 L CB 2.597 44.591 42.059 -0.109 0.000 1.369 343 L HN -0.121 nan 8.230 nan 0.000 0.412 344 E N 1.686 121.929 120.200 0.072 0.000 2.283 344 E HA 0.399 4.749 4.350 -0.000 0.000 0.258 344 E C -1.497 175.158 176.600 0.092 0.000 0.893 344 E CA -0.455 55.972 56.400 0.044 0.000 0.798 344 E CB 2.956 32.679 29.700 0.039 0.000 1.242 344 E HN 0.166 nan 8.360 nan 0.000 0.414 345 V N 2.080 122.035 119.914 0.069 0.000 2.427 345 V HA 0.523 4.643 4.120 -0.000 0.000 0.286 345 V C 0.296 176.414 176.094 0.039 0.000 1.034 345 V CA -0.634 61.727 62.300 0.101 0.000 0.893 345 V CB 1.440 33.321 31.823 0.095 0.000 0.982 345 V HN 0.757 nan 8.190 nan 0.000 0.452 346 A N 4.602 127.435 122.820 0.023 0.000 2.316 346 A HA 0.737 5.057 4.320 -0.000 0.000 0.284 346 A C -0.131 177.347 177.584 -0.176 0.000 1.115 346 A CA -0.395 51.614 52.037 -0.047 0.000 0.812 346 A CB 0.474 19.479 19.000 0.008 0.000 1.064 346 A HN 0.751 nan 8.150 nan 0.000 0.489 347 E N 1.734 121.727 120.200 -0.344 0.000 2.272 347 E HA 0.391 4.741 4.350 -0.000 0.000 0.269 347 E C -0.027 176.286 176.600 -0.478 0.000 0.877 347 E CA -0.447 55.685 56.400 -0.446 0.000 0.755 347 E CB 1.771 31.020 29.700 -0.753 0.000 1.192 347 E HN 0.584 nan 8.360 nan 0.000 0.422 348 L N 1.164 122.194 121.223 -0.322 0.000 2.357 348 L HA 0.166 4.506 4.340 -0.000 0.000 0.211 348 L C 0.983 177.574 176.870 -0.464 0.000 1.075 348 L CA 0.536 55.149 54.840 -0.378 0.000 0.830 348 L CB 0.154 42.019 42.059 -0.325 0.000 0.996 348 L HN 0.354 nan 8.230 nan 0.000 0.467 349 H N -0.617 118.390 119.070 -0.105 0.000 2.858 349 H HA 0.444 5.000 4.556 -0.000 0.000 0.318 349 H C -0.056 175.329 175.328 0.094 0.000 1.419 349 H CA -0.768 55.267 56.048 -0.022 0.000 1.373 349 H CB 1.451 31.178 29.762 -0.059 0.000 1.915 349 H HN -0.104 nan 8.280 nan 0.000 0.704 350 R N 0.409 121.054 120.500 0.241 0.000 2.700 350 R HA 0.283 4.623 4.340 -0.000 0.000 0.377 350 R C -0.272 176.121 176.300 0.156 0.000 1.130 350 R CA -0.065 56.165 56.100 0.217 0.000 1.055 350 R CB 0.585 30.970 30.300 0.141 0.000 1.387 350 R HN 0.333 nan 8.270 nan 0.000 0.580 351 K N -0.787 119.705 120.400 0.153 0.000 2.495 351 K HA 0.352 4.672 4.320 -0.000 0.000 0.268 351 K C -0.480 176.268 176.600 0.246 0.000 1.008 351 K CA -1.030 55.358 56.287 0.169 0.000 0.882 351 K CB 1.800 34.372 32.500 0.121 0.000 1.443 351 K HN 0.198 nan 8.250 nan 0.000 0.447 352 H N 0.692 119.789 119.070 0.044 0.000 2.820 352 H HA -0.183 4.373 4.556 -0.000 0.000 0.295 352 H C 0.773 176.134 175.328 0.055 0.000 1.187 352 H CA 0.287 56.359 56.048 0.041 0.000 1.144 352 H CB -1.522 28.249 29.762 0.015 0.000 1.354 352 H HN 0.412 nan 8.280 nan 0.000 0.395 353 L N -0.487 120.840 121.223 0.173 0.000 2.023 353 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 353 L C 2.100 179.027 176.870 0.096 0.000 1.073 353 L CA 1.248 56.169 54.840 0.135 0.000 0.745 353 L CB -0.420 41.722 42.059 0.137 0.000 0.900 353 L HN 0.621 nan 8.230 nan 0.000 0.435 354 G N -0.651 108.195 108.800 0.076 0.000 2.509 354 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.256 354 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.256 354 G C 0.694 175.622 174.900 0.047 0.000 1.152 354 G CA -0.003 45.132 45.100 0.057 0.000 0.951 354 G HN 1.027 nan 8.290 nan 0.000 0.559 355 G N -1.347 107.471 108.800 0.031 0.000 2.231 355 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.206 355 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.206 355 G C 0.459 175.360 174.900 0.002 0.000 0.996 355 G CA 1.224 46.332 45.100 0.013 0.000 0.645 355 G HN 1.636 nan 8.290 nan 0.000 0.498 356 Q N 0.903 120.711 119.800 0.013 0.000 2.320 356 Q HA 0.367 4.707 4.340 -0.000 0.000 0.311 356 Q C 0.118 176.103 176.000 -0.025 0.000 1.083 356 Q CA 0.406 56.213 55.803 0.007 0.000 1.001 356 Q CB 0.099 28.851 28.738 0.024 0.000 1.074 356 Q HN 0.525 nan 8.270 nan 0.000 0.379 357 L N 5.957 127.154 121.223 -0.044 0.000 2.331 357 L HA 0.703 5.043 4.340 -0.000 0.000 0.275 357 L C -0.571 176.242 176.870 -0.095 0.000 1.022 357 L CA -0.990 53.788 54.840 -0.103 0.000 0.812 357 L CB 1.224 43.216 42.059 -0.113 0.000 1.257 357 L HN 0.689 nan 8.230 nan 0.000 0.435 358 L N -0.879 120.246 121.223 -0.164 0.000 2.794 358 L HA 0.591 4.931 4.340 -0.000 0.000 0.261 358 L C -1.764 174.980 176.870 -0.210 0.000 0.989 358 L CA -0.580 54.195 54.840 -0.109 0.000 0.900 358 L CB 1.687 43.711 42.059 -0.060 0.000 1.473 358 L HN 0.200 nan 8.230 nan 0.000 0.414 359 F N 0.805 120.744 119.950 -0.017 0.000 2.436 359 F HA 0.791 5.318 4.527 0.000 0.000 0.340 359 F C 1.167 176.954 175.800 -0.022 0.000 1.113 359 F CA 0.094 58.096 58.000 0.003 0.000 1.022 359 F CB 2.107 41.068 39.000 -0.066 0.000 1.128 359 F HN 0.791 nan 8.300 nan 0.000 0.466 360 G N 2.711 111.626 108.800 0.192 0.000 2.580 360 G HA2 0.340 4.300 3.960 -0.000 0.000 0.278 360 G HA3 0.340 4.300 3.960 -0.000 0.000 0.278 360 G C -2.105 172.860 174.900 0.108 0.000 1.212 360 G CA -1.284 43.847 45.100 0.052 0.000 0.939 360 G HN 0.427 nan 8.290 nan 0.000 0.513 361 P HA 0.011 nan 4.420 nan 0.000 0.233 361 P C 0.951 178.269 177.300 0.030 0.000 1.167 361 P CA 0.967 64.098 63.100 0.052 0.000 0.770 361 P CB 0.171 31.909 31.700 0.062 0.000 0.837 362 D N -0.900 119.537 120.400 0.061 0.000 2.264 362 D HA -0.025 4.615 4.640 -0.000 0.000 0.208 362 D C 1.571 177.648 176.300 -0.372 0.000 0.966 362 D CA 1.261 55.238 54.000 -0.038 0.000 0.864 362 D CB -1.125 39.813 40.800 0.230 0.000 0.933 362 D HN 0.233 nan 8.370 nan 0.000 0.499 363 G N -1.110 107.578 108.800 -0.187 0.000 2.159 363 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.227 363 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.227 363 G C 0.006 174.841 174.900 -0.108 0.000 0.986 363 G CA -0.104 44.870 45.100 -0.210 0.000 0.651 363 G HN 0.355 nan 8.290 nan 0.000 0.523 364 F N -0.827 119.263 119.950 0.233 0.000 2.411 364 F HA 0.753 5.280 4.527 0.000 0.000 0.324 364 F C 0.481 176.261 175.800 -0.035 0.000 1.086 364 F CA -1.339 56.711 58.000 0.084 0.000 1.028 364 F CB 1.296 40.237 39.000 -0.099 0.000 1.284 364 F HN 0.027 nan 8.300 nan 0.000 0.501 365 L N 2.441 123.588 121.223 -0.126 0.000 2.276 365 L HA 0.394 4.734 4.340 -0.000 0.000 0.286 365 L C -1.400 175.217 176.870 -0.422 0.000 1.024 365 L CA -0.551 53.945 54.840 -0.573 0.000 0.826 365 L CB -0.226 41.383 42.059 -0.750 0.000 1.211 365 L HN 0.362 nan 8.230 nan 0.000 0.422 366 Y N 5.400 125.469 120.300 -0.385 0.000 2.310 366 Y HA 0.566 5.116 4.550 -0.000 0.000 0.326 366 Y C 0.229 175.976 175.900 -0.254 0.000 1.151 366 Y CA -0.664 57.272 58.100 -0.274 0.000 1.195 366 Y CB 1.278 39.620 38.460 -0.197 0.000 1.210 366 Y HN 0.356 nan 8.280 nan 0.000 0.483 367 I N 5.077 125.599 120.570 -0.080 0.000 2.476 367 I HA 0.242 4.412 4.170 -0.000 0.000 0.281 367 I C -1.229 174.872 176.117 -0.026 0.000 1.040 367 I CA -0.650 60.591 61.300 -0.097 0.000 1.094 367 I CB 1.296 39.184 38.000 -0.186 0.000 1.219 367 I HN 0.441 nan 8.210 nan 0.000 0.450 368 I N 6.929 127.508 120.570 0.014 0.000 2.322 368 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 368 I C -0.313 175.828 176.117 0.041 0.000 1.060 368 I CA -0.055 61.275 61.300 0.050 0.000 1.309 368 I CB 0.454 38.494 38.000 0.066 0.000 1.415 368 I HN 0.261 nan 8.210 nan 0.000 0.492 369 L N 5.855 127.110 121.223 0.054 0.000 2.325 369 L HA 0.659 4.999 4.340 -0.000 0.000 0.278 369 L C 0.732 177.656 176.870 0.089 0.000 1.023 369 L CA -0.285 54.592 54.840 0.061 0.000 0.811 369 L CB 1.242 43.336 42.059 0.057 0.000 1.249 369 L HN 0.633 nan 8.230 nan 0.000 0.431 370 G N 0.673 109.528 108.800 0.091 0.000 2.547 370 G HA2 0.329 4.289 3.960 -0.000 0.000 0.291 370 G HA3 0.329 4.289 3.960 -0.000 0.000 0.291 370 G C 0.439 175.409 174.900 0.117 0.000 1.211 370 G CA -0.126 45.038 45.100 0.107 0.000 0.950 370 G HN 0.759 nan 8.290 nan 0.000 0.504 371 D N -1.900 118.574 120.400 0.123 0.000 2.371 371 D HA 0.105 4.745 4.640 -0.000 0.000 0.221 371 D C 1.729 178.059 176.300 0.049 0.000 0.986 371 D CA 0.846 54.883 54.000 0.062 0.000 0.899 371 D CB -0.360 40.408 40.800 -0.053 0.000 0.902 371 D HN 1.075 nan 8.370 nan 0.000 0.530 372 G N 1.410 110.272 108.800 0.103 0.000 2.168 372 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.257 372 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.257 372 G C 0.814 175.692 174.900 -0.037 0.000 0.997 372 G CA 0.406 45.548 45.100 0.070 0.000 0.708 372 G HN 0.910 nan 8.290 nan 0.000 0.520 373 M N -1.912 117.595 119.600 -0.156 0.000 2.107 373 M HA -0.183 4.297 4.480 -0.000 0.000 0.190 373 M C -0.321 175.831 176.300 -0.247 0.000 0.436 373 M CA 0.893 55.995 55.300 -0.330 0.000 0.393 373 M CB -1.965 30.243 32.600 -0.653 0.000 1.003 373 M HN 0.182 nan 8.290 nan 0.000 0.939 374 I N 2.168 122.677 120.570 -0.102 0.000 2.371 374 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 374 I C 1.326 177.402 176.117 -0.069 0.000 1.028 374 I CA 0.082 61.354 61.300 -0.047 0.000 1.345 374 I CB 1.116 39.099 38.000 -0.029 0.000 1.407 374 I HN 0.541 nan 8.210 nan 0.000 0.501 375 T N 3.509 118.032 114.554 -0.051 0.000 2.788 375 T HA 0.316 4.666 4.350 -0.000 0.000 0.280 375 T C 1.152 175.835 174.700 -0.029 0.000 0.984 375 T CA -0.742 61.331 62.100 -0.045 0.000 0.972 375 T CB 1.402 70.249 68.868 -0.034 0.000 1.039 375 T HN 0.246 nan 8.240 nan 0.000 0.530 376 L N 0.669 121.879 121.223 -0.021 0.000 2.217 376 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 376 L C 2.171 179.034 176.870 -0.012 0.000 1.107 376 L CA 1.282 56.113 54.840 -0.014 0.000 0.783 376 L CB -1.367 40.688 42.059 -0.006 0.000 0.919 376 L HN 0.686 nan 8.230 nan 0.000 0.442 377 D N 0.077 120.471 120.400 -0.010 0.000 2.095 377 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 377 D C 1.635 177.931 176.300 -0.006 0.000 0.990 377 D CA 1.482 55.478 54.000 -0.006 0.000 0.836 377 D CB -0.123 40.675 40.800 -0.003 0.000 0.979 377 D HN 0.234 nan 8.370 nan 0.000 0.447 378 D N -0.094 120.303 120.400 -0.006 0.000 2.203 378 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 378 D C 2.076 178.367 176.300 -0.015 0.000 0.997 378 D CA 0.735 54.731 54.000 -0.006 0.000 0.863 378 D CB -0.207 40.594 40.800 0.002 0.000 0.928 378 D HN 0.268 nan 8.370 nan 0.000 0.458 379 M N -0.187 119.402 119.600 -0.019 0.000 2.287 379 M HA -0.052 4.428 4.480 -0.000 0.000 0.266 379 M C 1.880 178.168 176.300 -0.020 0.000 1.079 379 M CA 0.974 56.259 55.300 -0.024 0.000 1.146 379 M CB 0.260 32.842 32.600 -0.031 0.000 1.374 379 M HN -0.102 nan 8.290 nan 0.000 0.435 380 E N 0.165 120.356 120.200 -0.015 0.000 2.299 380 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 380 E C 0.815 177.411 176.600 -0.008 0.000 0.998 380 E CA 0.808 57.200 56.400 -0.013 0.000 0.851 380 E CB 0.196 29.889 29.700 -0.011 0.000 0.795 380 E HN 0.617 nan 8.360 nan 0.000 0.492 381 E N 0.201 120.399 120.200 -0.003 0.000 2.496 381 E HA 0.159 4.509 4.350 -0.000 0.000 0.200 381 E C -0.115 176.491 176.600 0.010 0.000 1.016 381 E CA -0.074 56.327 56.400 0.001 0.000 0.962 381 E CB 0.212 29.913 29.700 0.002 0.000 1.071 381 E HN 0.041 nan 8.360 nan 0.000 0.457 382 M N 1.851 121.459 119.600 0.014 0.000 2.182 382 M HA 0.288 4.768 4.480 -0.000 0.000 0.266 382 M C -1.466 174.854 176.300 0.034 0.000 0.989 382 M CA -0.768 54.556 55.300 0.040 0.000 1.003 382 M CB 2.072 34.714 32.600 0.069 0.000 1.812 382 M HN -0.100 nan 8.290 nan 0.000 0.472 383 D N 1.366 121.780 120.400 0.023 0.000 2.344 383 D HA 0.453 5.093 4.640 -0.000 0.000 0.244 383 D C 1.184 177.504 176.300 0.034 0.000 1.134 383 D CA 1.010 55.016 54.000 0.009 0.000 0.930 383 D CB 1.383 42.178 40.800 -0.009 0.000 1.175 383 D HN 0.962 nan 8.370 nan 0.000 0.437 384 G N 0.167 108.980 108.800 0.022 0.000 2.136 384 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.242 384 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.242 384 G C 0.410 175.380 174.900 0.117 0.000 0.989 384 G CA 0.039 45.170 45.100 0.053 0.000 0.682 384 G HN 0.360 nan 8.290 nan 0.000 0.522 385 L N -0.933 120.320 121.223 0.049 0.000 2.946 385 L HA 0.660 5.000 4.340 -0.000 0.000 0.189 385 L C 1.812 178.659 176.870 -0.039 0.000 1.249 385 L CA 0.362 55.203 54.840 0.002 0.000 1.098 385 L CB 0.894 42.934 42.059 -0.032 0.000 2.064 385 L HN 0.212 nan 8.230 nan 0.000 0.522 386 S N -2.272 113.388 115.700 -0.067 0.000 2.979 386 S HA 0.051 4.521 4.470 -0.000 0.000 0.243 386 S C 0.142 174.561 174.600 -0.302 0.000 1.036 386 S CA 0.501 58.629 58.200 -0.120 0.000 0.846 386 S CB 0.176 63.401 63.200 0.040 0.000 0.806 386 S HN 0.757 nan 8.310 nan 0.000 0.568 387 D N -0.920 119.366 120.400 -0.190 0.000 2.748 387 D HA -0.128 4.512 4.640 -0.000 0.000 0.189 387 D C 0.414 176.629 176.300 -0.142 0.000 0.982 387 D CA 1.194 55.062 54.000 -0.221 0.000 1.017 387 D CB -1.371 39.233 40.800 -0.327 0.000 1.076 387 D HN 0.414 nan 8.370 nan 0.000 0.446 388 F N 0.861 120.787 119.950 -0.041 0.000 2.262 388 F HA 0.082 4.609 4.527 0.000 0.000 0.292 388 F C 1.977 177.774 175.800 -0.005 0.000 1.081 388 F CA 1.153 59.136 58.000 -0.028 0.000 1.355 388 F CB -0.913 38.072 39.000 -0.024 0.000 1.069 388 F HN -0.063 nan 8.300 nan 0.000 0.506 389 T N -1.159 113.509 114.554 0.190 0.000 2.939 389 T HA 0.328 4.678 4.350 -0.000 0.000 0.319 389 T C 1.427 176.199 174.700 0.120 0.000 1.082 389 T CA 0.366 62.539 62.100 0.122 0.000 1.133 389 T CB 0.802 69.714 68.868 0.073 0.000 1.019 389 T HN 0.785 nan 8.240 nan 0.000 0.548 390 G N 1.963 110.838 108.800 0.124 0.000 2.179 390 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 390 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 390 G C 0.187 175.204 174.900 0.195 0.000 0.977 390 G CA 0.213 45.406 45.100 0.156 0.000 0.641 390 G HN 1.176 nan 8.290 nan 0.000 0.533 391 S N -1.362 114.445 115.700 0.178 0.000 2.638 391 S HA 0.692 5.162 4.470 -0.000 0.000 0.302 391 S C -0.061 174.632 174.600 0.155 0.000 1.096 391 S CA -0.577 57.743 58.200 0.200 0.000 0.953 391 S CB 2.664 65.989 63.200 0.208 0.000 1.107 391 S HN 0.648 nan 8.310 nan 0.000 0.503 392 V N 3.161 123.185 119.914 0.184 0.000 2.334 392 V HA 0.284 4.404 4.120 -0.000 0.000 0.267 392 V C -0.100 176.079 176.094 0.142 0.000 1.040 392 V CA -0.346 62.062 62.300 0.180 0.000 0.866 392 V CB -0.290 31.708 31.823 0.293 0.000 1.019 392 V HN 0.611 nan 8.190 nan 0.000 0.468 393 L N 4.780 126.003 121.223 -0.001 0.000 2.456 393 L HA 0.667 5.007 4.340 -0.000 0.000 0.257 393 L C 0.323 177.038 176.870 -0.259 0.000 1.162 393 L CA -0.611 54.159 54.840 -0.116 0.000 0.808 393 L CB 0.591 42.478 42.059 -0.287 0.000 1.136 393 L HN 0.578 nan 8.230 nan 0.000 0.466 394 R N 1.688 121.975 120.500 -0.355 0.000 2.549 394 R HA 0.562 4.902 4.340 -0.000 0.000 0.291 394 R C -1.846 174.160 176.300 -0.490 0.000 1.164 394 R CA -0.379 55.343 56.100 -0.630 0.000 0.973 394 R CB 0.944 30.654 30.300 -0.984 0.000 1.210 394 R HN 0.590 nan 8.270 nan 0.000 0.422 395 L N 1.684 122.655 121.223 -0.420 0.000 2.313 395 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 395 L C -0.509 176.342 176.870 -0.030 0.000 1.010 395 L CA -1.226 53.459 54.840 -0.258 0.000 0.814 395 L CB 1.734 43.571 42.059 -0.369 0.000 1.304 395 L HN 0.547 nan 8.230 nan 0.000 0.441 396 D N 0.311 120.779 120.400 0.114 0.000 2.427 396 D HA 0.263 4.903 4.640 -0.000 0.000 0.226 396 D C 0.409 176.875 176.300 0.278 0.000 1.076 396 D CA -0.394 53.813 54.000 0.345 0.000 0.849 396 D CB 1.849 42.881 40.800 0.387 0.000 1.052 396 D HN 0.221 nan 8.370 nan 0.000 0.515 397 V N 2.472 122.568 119.914 0.303 0.000 3.306 397 V HA -0.019 4.101 4.120 -0.000 0.000 0.264 397 V C 0.557 176.866 176.094 0.357 0.000 1.149 397 V CA 0.621 63.141 62.300 0.366 0.000 1.143 397 V CB -0.262 31.820 31.823 0.432 0.000 0.767 397 V HN 0.499 nan 8.190 nan 0.000 0.476 398 D N 1.764 122.350 120.400 0.310 0.000 2.688 398 D HA 0.145 4.785 4.640 -0.000 0.000 0.228 398 D C 0.463 176.882 176.300 0.197 0.000 1.116 398 D CA 0.433 54.588 54.000 0.259 0.000 1.023 398 D CB 0.547 41.481 40.800 0.223 0.000 1.100 398 D HN 0.231 nan 8.370 nan 0.000 0.487 399 T N -0.306 114.359 114.554 0.186 0.000 2.929 399 T HA 0.132 4.482 4.350 -0.000 0.000 0.284 399 T C 0.726 175.495 174.700 0.115 0.000 1.014 399 T CA -0.636 61.544 62.100 0.133 0.000 1.051 399 T CB 1.423 70.354 68.868 0.105 0.000 1.028 399 T HN 0.040 nan 8.240 nan 0.000 0.485 400 D N 2.285 122.734 120.400 0.083 0.000 2.407 400 D HA 0.113 4.753 4.640 -0.000 0.000 0.208 400 D C 0.465 176.788 176.300 0.039 0.000 1.083 400 D CA -0.027 54.008 54.000 0.060 0.000 0.844 400 D CB 0.310 41.138 40.800 0.047 0.000 0.967 400 D HN 0.351 nan 8.370 nan 0.000 0.506 401 M N -0.059 119.565 119.600 0.039 0.000 2.250 401 M HA -0.032 4.448 4.480 -0.000 0.000 0.325 401 M C 0.730 177.050 176.300 0.033 0.000 1.084 401 M CA 0.360 55.672 55.300 0.020 0.000 1.161 401 M CB 0.829 33.430 32.600 0.002 0.000 1.481 401 M HN -0.082 nan 8.290 nan 0.000 0.449 402 c N 1.791 120.401 118.600 0.018 0.000 3.385 402 c HA 0.263 4.833 4.570 -0.000 0.000 0.288 402 c C 1.312 175.442 174.090 0.067 0.000 1.429 402 c CA -0.493 55.856 56.329 0.033 0.000 1.778 402 c CB -0.954 41.526 42.510 -0.050 0.000 2.503 402 c HN 0.886 nan 8.230 nan 0.000 0.646 403 N N 0.344 119.060 118.700 0.026 0.000 2.273 403 N HA 0.123 4.863 4.740 -0.000 0.000 0.192 403 N C 0.100 175.590 175.510 -0.034 0.000 1.132 403 N CA 0.445 53.499 53.050 0.008 0.000 0.887 403 N CB 1.011 39.492 38.487 -0.011 0.000 1.048 403 N HN 0.340 nan 8.380 nan 0.000 0.490 404 V N 2.196 122.062 119.914 -0.080 0.000 2.789 404 V HA 0.335 4.455 4.120 -0.000 0.000 0.311 404 V C -1.820 174.128 176.094 -0.243 0.000 1.073 404 V CA -1.765 60.417 62.300 -0.196 0.000 0.921 404 V CB 2.576 34.239 31.823 -0.265 0.000 1.009 404 V HN -0.213 nan 8.190 nan 0.000 0.426 405 P HA 0.028 nan 4.420 nan 0.000 0.220 405 P C -0.985 176.010 177.300 -0.509 0.000 1.148 405 P CA 1.236 64.072 63.100 -0.440 0.000 0.803 405 P CB -0.110 31.237 31.700 -0.589 0.000 0.782 406 Y N -3.814 116.219 120.300 -0.444 0.000 2.470 406 Y HA 0.691 5.241 4.550 -0.000 0.000 0.341 406 Y C 0.184 175.989 175.900 -0.159 0.000 1.021 406 Y CA -1.772 56.141 58.100 -0.312 0.000 1.025 406 Y CB 0.397 38.630 38.460 -0.379 0.000 1.266 406 Y HN -0.325 nan 8.280 nan 0.000 0.448 407 S N 2.827 118.555 115.700 0.047 0.000 2.633 407 S HA 0.625 5.095 4.470 -0.000 0.000 0.257 407 S C -0.514 174.115 174.600 0.049 0.000 1.265 407 S CA -0.385 57.819 58.200 0.007 0.000 0.980 407 S CB 0.204 63.441 63.200 0.061 0.000 1.017 407 S HN 0.639 nan 8.310 nan 0.000 0.577 408 I N 2.055 122.577 120.570 -0.080 0.000 2.533 408 I HA 0.361 4.531 4.170 -0.000 0.000 0.290 408 I C -2.508 173.473 176.117 -0.226 0.000 1.056 408 I CA -2.376 58.823 61.300 -0.168 0.000 1.057 408 I CB 2.205 40.032 38.000 -0.289 0.000 1.240 408 I HN 0.499 nan 8.210 nan 0.000 0.423 409 P HA 0.247 nan 4.420 nan 0.000 0.269 409 P C 0.244 177.568 177.300 0.039 0.000 1.215 409 P CA -0.246 62.689 63.100 -0.276 0.000 0.780 409 P CB 0.709 31.900 31.700 -0.848 0.000 0.898 410 R N 0.707 121.370 120.500 0.272 0.000 2.115 410 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 410 R C 1.797 178.287 176.300 0.317 0.000 1.100 410 R CA 1.470 57.893 56.100 0.539 0.000 0.980 410 R CB -0.596 29.873 30.300 0.281 0.000 0.875 410 R HN 0.485 nan 8.270 nan 0.000 0.445 411 S N 0.786 116.587 115.700 0.167 0.000 2.547 411 S HA -0.031 4.439 4.470 -0.000 0.000 0.235 411 S C 0.469 175.173 174.600 0.175 0.000 0.980 411 S CA 0.186 58.474 58.200 0.147 0.000 0.941 411 S CB -0.309 62.979 63.200 0.147 0.000 0.763 411 S HN 0.241 nan 8.310 nan 0.000 0.532 412 N N 2.849 121.654 118.700 0.175 0.000 2.479 412 N HA 0.165 4.905 4.740 -0.000 0.000 0.257 412 N C -2.302 173.327 175.510 0.198 0.000 1.232 412 N CA -1.501 51.675 53.050 0.210 0.000 0.920 412 N CB 0.381 38.947 38.487 0.131 0.000 1.105 412 N HN 0.030 nan 8.380 nan 0.000 0.444 413 P HA 0.109 nan 4.420 nan 0.000 0.255 413 P C -0.739 176.435 177.300 -0.210 0.000 1.427 413 P CA 0.768 63.867 63.100 -0.000 0.000 0.863 413 P CB 0.107 31.797 31.700 -0.018 0.000 1.444 414 H N -1.951 117.180 119.070 0.101 0.000 3.553 414 H HA 0.087 4.643 4.556 -0.000 0.000 0.246 414 H C -0.613 174.805 175.328 0.150 0.000 1.259 414 H CA -0.635 55.472 56.048 0.098 0.000 1.055 414 H CB -0.370 29.430 29.762 0.064 0.000 2.978 414 H HN 0.037 nan 8.280 nan 0.000 0.648 415 F N 2.993 122.999 119.950 0.093 0.000 2.557 415 F HA 0.037 4.564 4.527 -0.000 0.000 0.384 415 F C 1.230 177.059 175.800 0.049 0.000 1.057 415 F CA 0.694 58.731 58.000 0.062 0.000 1.169 415 F CB 0.087 39.108 39.000 0.036 0.000 1.070 415 F HN 0.329 nan 8.300 nan 0.000 0.554 416 N N 1.442 120.388 118.700 0.409 0.000 2.924 416 N HA -0.259 4.481 4.740 -0.000 0.000 0.210 416 N C 0.212 175.824 175.510 0.171 0.000 0.902 416 N CA 1.391 54.626 53.050 0.307 0.000 1.061 416 N CB -1.196 37.530 38.487 0.399 0.000 0.985 416 N HN 0.548 nan 8.380 nan 0.000 0.600 417 S N 0.057 115.860 115.700 0.172 0.000 2.515 417 S HA 0.230 4.700 4.470 -0.000 0.000 0.285 417 S C 1.064 175.724 174.600 0.101 0.000 1.265 417 S CA 0.738 59.013 58.200 0.125 0.000 1.079 417 S CB 0.254 63.538 63.200 0.139 0.000 0.877 417 S HN 0.379 nan 8.310 nan 0.000 0.493 418 T N 2.352 116.945 114.554 0.065 0.000 3.264 418 T HA 0.250 4.600 4.350 -0.000 0.000 0.257 418 T C 0.779 175.492 174.700 0.023 0.000 0.976 418 T CA -0.540 61.582 62.100 0.036 0.000 0.908 418 T CB -0.139 68.743 68.868 0.023 0.000 1.082 418 T HN 0.532 nan 8.240 nan 0.000 0.567 419 N N 1.180 119.904 118.700 0.040 0.000 2.765 419 N HA 0.131 4.871 4.740 -0.000 0.000 0.230 419 N C 0.136 175.649 175.510 0.005 0.000 1.022 419 N CA 0.529 53.592 53.050 0.022 0.000 1.106 419 N CB 0.286 38.794 38.487 0.034 0.000 1.527 419 N HN 0.347 nan 8.380 nan 0.000 0.507 420 Q N 0.971 120.803 119.800 0.053 0.000 2.259 420 Q HA 0.451 4.791 4.340 -0.000 0.000 0.246 420 Q C -2.302 173.624 176.000 -0.123 0.000 0.920 420 Q CA -1.709 54.065 55.803 -0.047 0.000 0.895 420 Q CB 1.151 29.890 28.738 0.001 0.000 1.220 420 Q HN 0.306 nan 8.270 nan 0.000 0.439 421 P HA 0.103 nan 4.420 nan 0.000 0.276 421 P C -2.229 175.016 177.300 -0.091 0.000 1.230 421 P CA -1.438 61.574 63.100 -0.147 0.000 0.776 421 P CB 0.673 32.244 31.700 -0.215 0.000 0.888 422 P HA -0.106 nan 4.420 nan 0.000 0.221 422 P C 1.066 178.412 177.300 0.077 0.000 1.150 422 P CA 1.252 64.394 63.100 0.071 0.000 0.800 422 P CB 0.166 31.885 31.700 0.032 0.000 0.787 423 E N -0.276 120.004 120.200 0.134 0.000 2.077 423 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 423 E C 0.577 177.212 176.600 0.058 0.000 0.989 423 E CA 0.443 56.893 56.400 0.083 0.000 0.800 423 E CB -1.057 28.705 29.700 0.103 0.000 0.746 423 E HN 0.005 nan 8.360 nan 0.000 0.452 424 V N 1.459 121.434 119.914 0.101 0.000 2.694 424 V HA -0.120 4.000 4.120 -0.000 0.000 0.306 424 V C 0.481 176.681 176.094 0.176 0.000 1.054 424 V CA 0.942 63.297 62.300 0.091 0.000 1.161 424 V CB 0.517 32.324 31.823 -0.026 0.000 0.916 424 V HN 0.224 nan 8.190 nan 0.000 0.490 425 F N 2.626 122.607 119.950 0.051 0.000 2.871 425 F HA 0.702 5.229 4.527 0.000 0.000 0.344 425 F C 0.471 176.352 175.800 0.136 0.000 1.078 425 F CA 0.508 58.557 58.000 0.081 0.000 1.149 425 F CB 0.489 39.483 39.000 -0.011 0.000 1.087 425 F HN 0.659 nan 8.300 nan 0.000 0.557 426 A N 0.138 123.064 122.820 0.176 0.000 2.550 426 A HA 0.548 4.868 4.320 -0.000 0.000 0.295 426 A C -1.821 175.907 177.584 0.241 0.000 1.001 426 A CA -0.049 52.069 52.037 0.134 0.000 0.660 426 A CB 0.191 19.257 19.000 0.111 0.000 1.308 426 A HN 0.704 nan 8.150 nan 0.000 0.426 427 H N -1.766 117.356 119.070 0.087 0.000 2.918 427 H HA 0.743 5.299 4.556 -0.000 0.000 0.303 427 H C 0.452 175.841 175.328 0.100 0.000 1.380 427 H CA -0.138 55.968 56.048 0.096 0.000 1.134 427 H CB 1.158 30.966 29.762 0.078 0.000 1.842 427 H HN 2.401 nan 8.280 nan 0.000 0.533 428 G N -0.293 108.467 108.800 -0.066 0.000 2.144 428 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 428 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 428 G C -0.284 174.701 174.900 0.142 0.000 0.988 428 G CA -0.010 45.071 45.100 -0.033 0.000 0.659 428 G HN 0.571 nan 8.290 nan 0.000 0.522 429 L N -0.062 121.268 121.223 0.178 0.000 2.439 429 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 429 L C 1.547 178.650 176.870 0.389 0.000 1.179 429 L CA -0.687 54.267 54.840 0.189 0.000 0.828 429 L CB 0.634 42.772 42.059 0.131 0.000 1.106 429 L HN 0.133 nan 8.230 nan 0.000 0.467 430 H N -0.240 118.837 119.070 0.012 0.000 2.311 430 H HA 0.159 4.715 4.556 -0.000 0.000 0.289 430 H C -0.247 175.037 175.328 -0.074 0.000 1.022 430 H CA 0.121 56.184 56.048 0.025 0.000 1.416 430 H CB 0.343 30.118 29.762 0.022 0.000 1.480 430 H HN 0.500 nan 8.280 nan 0.000 0.609 431 D N 1.573 121.924 120.400 -0.082 0.000 2.443 431 D HA 0.233 4.873 4.640 -0.000 0.000 0.281 431 D C -2.789 173.433 176.300 -0.129 0.000 1.210 431 D CA -2.175 51.632 54.000 -0.321 0.000 0.875 431 D CB 0.955 41.300 40.800 -0.758 0.000 1.125 431 D HN 0.050 nan 8.370 nan 0.000 0.503 432 P HA 0.335 nan 4.420 nan 0.000 0.278 432 P C 0.518 177.827 177.300 0.015 0.000 1.238 432 P CA -0.293 62.811 63.100 0.005 0.000 0.794 432 P CB 1.447 33.172 31.700 0.042 0.000 0.955 433 G N 1.829 110.654 108.800 0.042 0.000 2.574 433 G HA2 0.244 4.204 3.960 -0.000 0.000 0.248 433 G HA3 0.244 4.204 3.960 -0.000 0.000 0.248 433 G C -0.448 174.509 174.900 0.094 0.000 1.422 433 G CA -0.554 44.587 45.100 0.069 0.000 1.051 433 G HN 0.478 nan 8.290 nan 0.000 0.560 434 R N -0.684 119.893 120.500 0.129 0.000 2.389 434 R HA 0.213 4.553 4.340 -0.000 0.000 0.295 434 R C -0.987 175.357 176.300 0.074 0.000 1.075 434 R CA -0.142 56.030 56.100 0.120 0.000 1.005 434 R CB -0.026 30.401 30.300 0.212 0.000 0.987 434 R HN 0.363 nan 8.270 nan 0.000 0.452 435 c N 3.753 122.387 118.600 0.056 0.000 2.319 435 c HA 0.521 5.091 4.570 -0.000 0.000 0.335 435 c C 0.744 174.830 174.090 -0.008 0.000 1.274 435 c CA -0.778 55.589 56.329 0.064 0.000 1.806 435 c CB 0.716 43.273 42.510 0.078 0.000 2.329 435 c HN 0.852 nan 8.230 nan 0.000 0.524 436 A N 2.899 125.701 122.820 -0.031 0.000 2.425 436 A HA 0.564 4.884 4.320 -0.000 0.000 0.242 436 A C -0.401 177.147 177.584 -0.061 0.000 1.077 436 A CA -0.011 51.948 52.037 -0.130 0.000 0.781 436 A CB 0.263 19.152 19.000 -0.185 0.000 1.020 436 A HN 0.809 nan 8.150 nan 0.000 0.494 437 V N 3.225 123.056 119.914 -0.140 0.000 2.498 437 V HA 0.205 4.325 4.120 -0.000 0.000 0.283 437 V C -0.940 175.045 176.094 -0.180 0.000 1.015 437 V CA -0.685 61.549 62.300 -0.109 0.000 0.867 437 V CB 1.508 33.277 31.823 -0.091 0.000 1.025 437 V HN 0.982 nan 8.190 nan 0.000 0.441 438 D N 3.705 124.006 120.400 -0.167 0.000 2.249 438 D HA 0.349 4.989 4.640 -0.000 0.000 0.246 438 D C 0.799 176.984 176.300 -0.191 0.000 1.114 438 D CA -0.335 53.492 54.000 -0.289 0.000 0.854 438 D CB 1.535 42.124 40.800 -0.352 0.000 1.132 438 D HN 0.427 nan 8.370 nan 0.000 0.461 439 R N 2.073 122.468 120.500 -0.174 0.000 2.432 439 R HA 0.064 4.404 4.340 -0.000 0.000 0.260 439 R C -0.011 176.332 176.300 0.071 0.000 0.935 439 R CA -0.488 55.600 56.100 -0.021 0.000 1.080 439 R CB 0.115 30.406 30.300 -0.015 0.000 1.155 439 R HN 0.547 nan 8.270 nan 0.000 0.531 440 H N 0.791 119.882 119.070 0.034 0.000 2.385 440 H HA -0.069 4.487 4.556 -0.000 0.000 0.319 440 H C -1.604 173.758 175.328 0.057 0.000 0.985 440 H CA 0.371 56.454 56.048 0.058 0.000 1.067 440 H CB -0.570 29.235 29.762 0.073 0.000 1.610 440 H HN 0.326 nan 8.280 nan 0.000 0.361 441 P HA -0.163 nan 4.420 nan 0.000 0.215 441 P C 1.455 178.825 177.300 0.116 0.000 1.153 441 P CA 2.106 65.270 63.100 0.108 0.000 0.853 441 P CB 0.185 31.945 31.700 0.100 0.000 0.788 442 T N -3.370 111.265 114.554 0.136 0.000 2.925 442 T HA 0.013 4.363 4.350 -0.000 0.000 0.245 442 T C 1.013 175.782 174.700 0.115 0.000 1.025 442 T CA -0.033 62.138 62.100 0.117 0.000 1.149 442 T CB -1.194 67.747 68.868 0.121 0.000 0.866 442 T HN -0.047 nan 8.240 nan 0.000 0.437 443 D N 1.690 122.183 120.400 0.154 0.000 2.518 443 D HA -0.016 4.624 4.640 -0.000 0.000 0.270 443 D C 0.701 177.045 176.300 0.073 0.000 1.338 443 D CA 0.069 54.144 54.000 0.124 0.000 0.983 443 D CB 0.146 41.068 40.800 0.204 0.000 1.126 443 D HN 0.359 nan 8.370 nan 0.000 0.543 444 I N 3.730 124.328 120.570 0.047 0.000 3.226 444 I HA -0.166 4.004 4.170 -0.000 0.000 0.277 444 I C 1.813 177.939 176.117 0.015 0.000 1.243 444 I CA 0.229 61.552 61.300 0.037 0.000 1.459 444 I CB 0.173 38.195 38.000 0.037 0.000 1.093 444 I HN 0.208 nan 8.210 nan 0.000 0.453 445 N N 1.635 120.331 118.700 -0.006 0.000 2.109 445 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 445 N C 0.626 176.103 175.510 -0.055 0.000 1.034 445 N CA 1.208 54.245 53.050 -0.023 0.000 0.846 445 N CB -0.166 38.305 38.487 -0.027 0.000 1.010 445 N HN 0.259 nan 8.380 nan 0.000 0.425 446 I N 0.786 121.267 120.570 -0.147 0.000 2.472 446 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 446 I C 0.864 176.867 176.117 -0.191 0.000 1.016 446 I CA -0.505 60.639 61.300 -0.261 0.000 1.348 446 I CB 1.304 38.913 38.000 -0.653 0.000 1.417 446 I HN 0.044 nan 8.210 nan 0.000 0.521 447 N N 3.443 122.117 118.700 -0.044 0.000 2.420 447 N HA 0.272 5.012 4.740 -0.000 0.000 0.185 447 N C -0.553 175.065 175.510 0.180 0.000 1.033 447 N CA 0.603 53.701 53.050 0.080 0.000 0.879 447 N CB 0.459 39.012 38.487 0.110 0.000 1.071 447 N HN 0.529 nan 8.380 nan 0.000 0.437 448 L N -0.173 121.171 121.223 0.202 0.000 2.526 448 L HA 0.480 4.820 4.340 -0.000 0.000 0.263 448 L C -1.559 175.458 176.870 0.245 0.000 0.943 448 L CA -0.262 54.706 54.840 0.213 0.000 0.859 448 L CB 2.144 44.233 42.059 0.050 0.000 1.313 448 L HN -0.120 nan 8.230 nan 0.000 0.406 449 T N 5.864 120.596 114.554 0.298 0.000 2.807 449 T HA 0.642 4.992 4.350 -0.000 0.000 0.279 449 T C -0.550 174.266 174.700 0.195 0.000 0.993 449 T CA -0.187 62.092 62.100 0.298 0.000 0.970 449 T CB 1.131 70.287 68.868 0.481 0.000 0.950 449 T HN 0.393 nan 8.240 nan 0.000 0.441 450 I N 3.935 124.610 120.570 0.176 0.000 2.382 450 I HA 0.428 4.598 4.170 -0.000 0.000 0.285 450 I C -0.780 175.447 176.117 0.183 0.000 1.007 450 I CA -0.665 60.716 61.300 0.134 0.000 1.142 450 I CB 1.522 39.573 38.000 0.085 0.000 1.289 450 I HN 0.308 nan 8.210 nan 0.000 0.453 451 L N 6.603 127.959 121.223 0.222 0.000 2.325 451 L HA 0.550 4.890 4.340 -0.000 0.000 0.281 451 L C -1.127 175.906 176.870 0.271 0.000 1.004 451 L CA -0.260 54.721 54.840 0.234 0.000 0.823 451 L CB 1.466 43.710 42.059 0.309 0.000 1.236 451 L HN 0.652 nan 8.230 nan 0.000 0.415 452 c N 2.843 121.540 118.600 0.163 0.000 2.345 452 c HA 0.501 5.071 4.570 -0.000 0.000 0.323 452 c C 0.566 174.698 174.090 0.070 0.000 1.276 452 c CA -0.798 55.622 56.329 0.152 0.000 1.543 452 c CB 1.385 43.950 42.510 0.090 0.000 2.211 452 c HN 0.865 nan 8.230 nan 0.000 0.493 453 S N 2.717 118.494 115.700 0.128 0.000 2.593 453 S HA 0.550 5.020 4.470 -0.000 0.000 0.269 453 S C -0.787 173.802 174.600 -0.018 0.000 1.334 453 S CA 0.027 58.216 58.200 -0.019 0.000 1.015 453 S CB 0.982 64.119 63.200 -0.105 0.000 0.912 453 S HN 0.823 nan 8.310 nan 0.000 0.541 454 D N -0.306 120.063 120.400 -0.051 0.000 2.736 454 D HA 0.465 5.105 4.640 -0.000 0.000 0.223 454 D C -0.273 175.983 176.300 -0.073 0.000 1.231 454 D CA -0.435 53.527 54.000 -0.063 0.000 0.818 454 D CB 2.356 43.113 40.800 -0.072 0.000 1.587 454 D HN 0.542 nan 8.370 nan 0.000 0.463 455 S N 1.873 117.524 115.700 -0.082 0.000 4.213 455 S HA 0.606 5.076 4.470 -0.000 0.000 0.198 455 S C 0.235 174.819 174.600 -0.026 0.000 0.970 455 S CA -0.335 57.829 58.200 -0.059 0.000 1.707 455 S CB 0.428 63.591 63.200 -0.062 0.000 0.685 455 S HN 0.786 nan 8.310 nan 0.000 0.736 461 S N 0.789 116.483 115.700 -0.011 0.000 2.510 461 S HA 0.429 4.899 4.470 -0.000 0.000 0.279 461 S C -0.088 174.558 174.600 0.077 0.000 1.284 461 S CA 0.219 58.417 58.200 -0.004 0.000 1.059 461 S CB 0.625 63.793 63.200 -0.053 0.000 0.901 461 S HN 0.619 nan 8.310 nan 0.000 0.491 462 S N 2.422 118.156 115.700 0.057 0.000 2.671 462 S HA 0.893 5.363 4.470 -0.000 0.000 0.277 462 S C -0.560 173.993 174.600 -0.078 0.000 1.165 462 S CA -0.651 57.523 58.200 -0.043 0.000 0.822 462 S CB 1.071 64.187 63.200 -0.139 0.000 1.150 462 S HN 1.543 nan 8.310 nan 0.000 0.479 463 A N 0.614 123.125 122.820 -0.515 0.000 2.322 463 A HA 0.961 5.281 4.320 -0.000 0.000 0.327 463 A C -0.521 176.780 177.584 -0.472 0.000 1.134 463 A CA -1.046 50.592 52.037 -0.665 0.000 0.831 463 A CB 1.040 19.142 19.000 -1.496 0.000 1.288 463 A HN 0.823 nan 8.150 nan 0.000 0.472 464 R N 0.135 120.510 120.500 -0.208 0.000 2.584 464 R HA 0.557 4.897 4.340 -0.000 0.000 0.276 464 R C -1.566 174.810 176.300 0.127 0.000 1.046 464 R CA -0.406 55.711 56.100 0.029 0.000 0.906 464 R CB 1.996 32.299 30.300 0.005 0.000 1.215 464 R HN 0.761 nan 8.270 nan 0.000 0.449 465 I N 2.445 123.143 120.570 0.214 0.000 2.740 465 I HA 0.569 4.739 4.170 -0.000 0.000 0.303 465 I C -1.626 174.591 176.117 0.166 0.000 1.044 465 I CA -1.308 60.108 61.300 0.194 0.000 1.064 465 I CB 2.010 40.132 38.000 0.204 0.000 1.249 465 I HN 0.538 nan 8.210 nan 0.000 0.433 466 L N 6.163 127.497 121.223 0.186 0.000 2.476 466 L HA 0.457 4.797 4.340 -0.000 0.000 0.269 466 L C -1.077 175.924 176.870 0.218 0.000 0.965 466 L CA -0.279 54.683 54.840 0.203 0.000 0.845 466 L CB 1.986 44.199 42.059 0.258 0.000 1.259 466 L HN 0.544 nan 8.230 nan 0.000 0.403 467 Q N 3.775 123.692 119.800 0.195 0.000 2.337 467 Q HA 0.687 5.027 4.340 -0.000 0.000 0.266 467 Q C -1.304 174.808 176.000 0.186 0.000 1.023 467 Q CA -0.934 54.980 55.803 0.184 0.000 0.829 467 Q CB 3.307 32.130 28.738 0.141 0.000 1.306 467 Q HN 0.379 nan 8.270 nan 0.000 0.449 468 I N 2.505 123.188 120.570 0.189 0.000 2.406 468 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 468 I C -0.513 175.686 176.117 0.137 0.000 0.999 468 I CA -0.377 61.053 61.300 0.217 0.000 1.124 468 I CB 1.382 39.559 38.000 0.296 0.000 1.289 468 I HN 0.499 nan 8.210 nan 0.000 0.441 480 L N -0.514 120.706 121.223 -0.005 0.000 2.371 480 L HA 0.917 5.257 4.340 -0.000 0.000 0.262 480 L C -1.124 175.763 176.870 0.028 0.000 1.006 480 L CA -0.960 53.899 54.840 0.031 0.000 0.818 480 L CB 0.637 42.727 42.059 0.051 0.000 1.354 480 L HN 0.046 nan 8.230 nan 0.000 0.415 481 L N 1.056 122.318 121.223 0.065 0.000 2.329 481 L HA 0.618 4.958 4.340 -0.000 0.000 0.279 481 L C 0.099 177.067 176.870 0.164 0.000 1.014 481 L CA -0.475 54.406 54.840 0.069 0.000 0.814 481 L CB 1.757 43.828 42.059 0.021 0.000 1.257 481 L HN 0.786 nan 8.230 nan 0.000 0.424 482 E N 4.378 124.658 120.200 0.134 0.000 2.561 482 E HA 0.245 4.595 4.350 -0.000 0.000 0.225 482 E C -1.015 175.691 176.600 0.178 0.000 1.035 482 E CA -0.419 56.054 56.400 0.121 0.000 0.904 482 E CB 0.433 30.132 29.700 -0.001 0.000 1.291 482 E HN 0.490 nan 8.360 nan 0.000 0.444 483 F N 0.938 120.811 119.950 -0.129 0.000 2.364 483 F HA 0.563 5.090 4.527 -0.000 0.000 0.316 483 F C 0.205 175.874 175.800 -0.219 0.000 1.133 483 F CA -1.110 56.800 58.000 -0.151 0.000 1.051 483 F CB 0.725 39.640 39.000 -0.142 0.000 1.342 483 F HN -0.067 nan 8.300 nan 0.000 0.507 484 K N -0.518 119.758 120.400 -0.206 0.000 2.814 484 K HA 0.326 4.646 4.320 -0.000 0.000 0.205 484 K C -2.953 173.432 176.600 -0.358 0.000 1.093 484 K CA -1.401 54.656 56.287 -0.383 0.000 1.035 484 K CB 1.335 33.724 32.500 -0.185 0.000 1.220 484 K HN 0.267 nan 8.250 nan 0.000 0.576 485 P HA 0.035 nan 4.420 nan 0.000 0.227 485 P C -0.489 176.556 177.300 -0.425 0.000 1.161 485 P CA 0.373 63.187 63.100 -0.477 0.000 0.788 485 P CB 0.065 31.418 31.700 -0.579 0.000 0.822 486 F N 0.474 120.313 119.950 -0.184 0.000 2.399 486 F HA 0.295 4.822 4.527 -0.000 0.000 0.342 486 F C 1.462 177.207 175.800 -0.092 0.000 1.106 486 F CA -0.683 57.231 58.000 -0.144 0.000 1.196 486 F CB 0.276 39.160 39.000 -0.193 0.000 1.163 486 F HN -0.195 nan 8.300 nan 0.000 0.547 487 S N -0.663 115.111 115.700 0.124 0.000 2.819 487 S HA 0.216 4.686 4.470 -0.000 0.000 0.249 487 S C 0.100 174.730 174.600 0.049 0.000 1.030 487 S CA -0.551 57.686 58.200 0.061 0.000 1.052 487 S CB -0.452 62.771 63.200 0.039 0.000 1.017 487 S HN 0.742 nan 8.310 nan 0.000 0.576 488 N N 0.383 119.115 118.700 0.054 0.000 3.357 488 N HA 0.533 5.273 4.740 -0.000 0.000 0.359 488 N C 0.691 176.200 175.510 -0.002 0.000 1.477 488 N CA -0.234 52.829 53.050 0.021 0.000 0.645 488 N CB 1.027 39.523 38.487 0.014 0.000 1.703 488 N HN 0.230 nan 8.380 nan 0.000 0.597 489 G N 0.128 108.913 108.800 -0.025 0.000 2.580 489 G HA2 0.351 4.311 3.960 -0.000 0.000 0.225 489 G HA3 0.351 4.311 3.960 -0.000 0.000 0.225 489 G C -2.531 172.323 174.900 -0.076 0.000 1.521 489 G CA -0.211 44.865 45.100 -0.039 0.000 1.068 489 G HN 0.435 nan 8.290 nan 0.000 0.564 490 P HA 0.448 nan 4.420 nan 0.000 0.301 490 P C -0.544 176.688 177.300 -0.115 0.000 1.338 490 P CA -0.519 62.523 63.100 -0.096 0.000 0.834 490 P CB 1.426 33.090 31.700 -0.061 0.000 0.967 491 L N 2.785 123.907 121.223 -0.169 0.000 2.418 491 L HA 0.254 4.594 4.340 -0.000 0.000 0.265 491 L C 1.834 178.684 176.870 -0.033 0.000 1.143 491 L CA -0.710 54.047 54.840 -0.137 0.000 0.809 491 L CB 0.810 42.719 42.059 -0.250 0.000 1.124 491 L HN 0.138 nan 8.230 nan 0.000 0.456 492 V N 1.021 120.957 119.914 0.037 0.000 2.488 492 V HA 0.154 4.274 4.120 -0.000 0.000 0.246 492 V C 0.998 177.209 176.094 0.196 0.000 1.046 492 V CA 1.570 63.925 62.300 0.092 0.000 1.053 492 V CB -0.110 31.752 31.823 0.065 0.000 0.679 492 V HN 1.061 nan 8.190 nan 0.000 0.458 493 G N -2.082 106.874 108.800 0.260 0.000 2.352 493 G HA2 0.492 4.452 3.960 -0.000 0.000 0.283 493 G HA3 0.492 4.452 3.960 -0.000 0.000 0.283 493 G C -0.597 174.188 174.900 -0.191 0.000 1.308 493 G CA -0.011 45.213 45.100 0.207 0.000 0.892 493 G HN 0.731 nan 8.290 nan 0.000 0.504 494 G N -1.626 106.753 108.800 -0.703 0.000 2.645 494 G HA2 1.015 4.975 3.960 -0.000 0.000 0.292 494 G HA3 1.015 4.975 3.960 -0.000 0.000 0.292 494 G C -1.246 173.108 174.900 -0.911 0.000 1.415 494 G CA 0.236 44.401 45.100 -1.558 0.000 0.785 494 G HN 1.922 nan 8.290 nan 0.000 0.483 495 F N -2.046 117.374 119.950 -0.884 0.000 2.686 495 F HA 0.771 5.298 4.527 -0.000 0.000 0.311 495 F C -1.334 174.188 175.800 -0.463 0.000 1.128 495 F CA -1.480 56.193 58.000 -0.544 0.000 0.946 495 F CB 1.683 40.416 39.000 -0.445 0.000 1.336 495 F HN 0.406 nan 8.300 nan 0.000 0.457 496 V N 2.606 122.376 119.914 -0.240 0.000 2.357 496 V HA 0.218 4.338 4.120 -0.000 0.000 0.284 496 V C -1.017 175.019 176.094 -0.097 0.000 1.018 496 V CA -0.690 61.372 62.300 -0.397 0.000 0.841 496 V CB 1.023 32.472 31.823 -0.623 0.000 0.991 496 V HN 0.772 nan 8.190 nan 0.000 0.437 497 Y N 5.709 125.936 120.300 -0.122 0.000 2.465 497 Y HA 0.395 4.945 4.550 -0.000 0.000 0.331 497 Y C 0.903 176.673 175.900 -0.217 0.000 1.102 497 Y CA 0.072 58.157 58.100 -0.024 0.000 1.358 497 Y CB 0.554 39.035 38.460 0.034 0.000 1.213 497 Y HN 0.577 nan 8.280 nan 0.000 0.525 498 R N 3.801 123.841 120.500 -0.767 0.000 2.642 498 R HA 0.322 4.662 4.340 -0.000 0.000 0.435 498 R C 0.286 176.272 176.300 -0.524 0.000 1.046 498 R CA 0.065 55.759 56.100 -0.677 0.000 1.103 498 R CB 0.318 30.379 30.300 -0.398 0.000 1.425 498 R HN 0.858 nan 8.270 nan 0.000 0.586 499 G N -1.387 106.716 108.800 -1.163 0.000 2.563 499 G HA2 0.084 4.044 3.960 -0.000 0.000 0.283 499 G HA3 0.084 4.044 3.960 -0.000 0.000 0.283 499 G C 0.522 175.413 174.900 -0.015 0.000 1.309 499 G CA -0.100 44.653 45.100 -0.577 0.000 1.022 499 G HN 0.377 nan 8.290 nan 0.000 0.501 500 c N -1.716 116.930 118.600 0.076 0.000 3.019 500 c HA 0.245 4.815 4.570 -0.000 0.000 0.295 500 c C 2.093 176.272 174.090 0.148 0.000 1.256 500 c CA 0.508 56.898 56.329 0.103 0.000 1.706 500 c CB -0.577 41.951 42.510 0.030 0.000 2.153 500 c HN 0.736 nan 8.230 nan 0.000 0.618 501 Q N 1.097 121.018 119.800 0.202 0.000 2.096 501 Q HA 0.041 4.381 4.340 -0.000 0.000 0.197 501 Q C 0.941 177.039 176.000 0.163 0.000 0.964 501 Q CA 1.135 57.027 55.803 0.149 0.000 0.838 501 Q CB -0.217 28.589 28.738 0.113 0.000 0.906 501 Q HN 0.583 nan 8.270 nan 0.000 0.444 502 S N 0.547 116.401 115.700 0.257 0.000 2.452 502 S HA 0.124 4.594 4.470 -0.000 0.000 0.284 502 S C 0.492 175.244 174.600 0.252 0.000 1.171 502 S CA -0.300 58.013 58.200 0.187 0.000 1.064 502 S CB 1.039 64.279 63.200 0.067 0.000 0.967 502 S HN 0.261 nan 8.310 nan 0.000 0.484 503 E N 3.596 123.889 120.200 0.154 0.000 2.033 503 E HA -0.099 4.251 4.350 -0.000 0.000 0.189 503 E C 2.148 178.856 176.600 0.180 0.000 0.979 503 E CA 0.573 57.059 56.400 0.144 0.000 0.802 503 E CB -0.046 29.692 29.700 0.064 0.000 0.763 503 E HN 0.779 nan 8.360 nan 0.000 0.449 504 R N 0.668 121.249 120.500 0.135 0.000 2.226 504 R HA -0.180 4.160 4.340 -0.000 0.000 0.246 504 R C 1.924 178.342 176.300 0.197 0.000 1.161 504 R CA 1.238 57.425 56.100 0.145 0.000 0.997 504 R CB -0.362 29.999 30.300 0.101 0.000 0.870 504 R HN 0.139 nan 8.270 nan 0.000 0.465 505 L N -0.622 120.726 121.223 0.209 0.000 2.556 505 L HA 0.210 4.550 4.340 -0.000 0.000 0.226 505 L C 0.230 177.271 176.870 0.285 0.000 1.089 505 L CA -0.259 54.650 54.840 0.115 0.000 0.864 505 L CB -0.130 41.769 42.059 -0.267 0.000 1.067 505 L HN 0.087 nan 8.230 nan 0.000 0.477 506 Y N 0.649 121.133 120.300 0.307 0.000 2.903 506 Y HA 0.261 4.811 4.550 -0.000 0.000 0.338 506 Y C 1.675 177.700 175.900 0.208 0.000 1.265 506 Y CA 1.281 59.575 58.100 0.323 0.000 1.532 506 Y CB 0.441 39.021 38.460 0.200 0.000 1.293 506 Y HN 0.342 nan 8.280 nan 0.000 0.609 507 G N 2.812 111.424 108.800 -0.314 0.000 2.205 507 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.269 507 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.269 507 G C 0.266 175.195 174.900 0.049 0.000 0.977 507 G CA 0.548 45.553 45.100 -0.159 0.000 0.652 507 G HN 0.718 nan 8.290 nan 0.000 0.539 508 S N -0.124 115.637 115.700 0.102 0.000 2.580 508 S HA 0.529 4.999 4.470 -0.000 0.000 0.274 508 S C -0.208 174.452 174.600 0.099 0.000 1.329 508 S CA -0.327 57.973 58.200 0.166 0.000 1.036 508 S CB 0.645 63.913 63.200 0.114 0.000 0.919 508 S HN 0.254 nan 8.310 nan 0.000 0.515 509 Y N 1.426 121.735 120.300 0.014 0.000 2.383 509 Y HA 0.367 4.917 4.550 -0.000 0.000 0.344 509 Y C 0.161 175.966 175.900 -0.158 0.000 0.986 509 Y CA -0.756 57.313 58.100 -0.051 0.000 1.175 509 Y CB 0.244 38.802 38.460 0.164 0.000 1.152 509 Y HN 0.243 nan 8.280 nan 0.000 0.511 510 V N 5.517 125.115 119.914 -0.527 0.000 2.435 510 V HA 0.425 4.545 4.120 -0.000 0.000 0.290 510 V C -0.539 175.106 176.094 -0.748 0.000 1.030 510 V CA -1.000 60.924 62.300 -0.628 0.000 0.881 510 V CB 1.012 32.169 31.823 -1.109 0.000 0.983 510 V HN 0.436 nan 8.190 nan 0.000 0.445 511 F N 1.816 121.614 119.950 -0.254 0.000 2.546 511 F HA 0.860 5.387 4.527 0.000 0.000 0.320 511 F C 0.641 176.332 175.800 -0.180 0.000 1.076 511 F CA -0.414 57.441 58.000 -0.242 0.000 0.928 511 F CB 2.490 41.360 39.000 -0.215 0.000 1.189 511 F HN 0.624 nan 8.300 nan 0.000 0.465 512 G N 0.921 109.685 108.800 -0.060 0.000 2.619 512 G HA2 0.539 4.499 3.960 -0.000 0.000 0.296 512 G HA3 0.539 4.499 3.960 -0.000 0.000 0.296 512 G C -1.927 172.891 174.900 -0.137 0.000 1.334 512 G CA -0.745 44.166 45.100 -0.316 0.000 0.934 512 G HN 0.536 nan 8.290 nan 0.000 0.476 513 D N -0.839 119.441 120.400 -0.199 0.000 2.487 513 D HA 0.235 4.875 4.640 -0.000 0.000 0.262 513 D C 1.280 177.551 176.300 -0.048 0.000 1.130 513 D CA -1.009 52.933 54.000 -0.096 0.000 1.038 513 D CB 1.433 42.185 40.800 -0.080 0.000 1.142 513 D HN 0.336 nan 8.370 nan 0.000 0.575 514 R N -0.876 119.622 120.500 -0.002 0.000 2.127 514 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 514 R C 0.942 177.358 176.300 0.193 0.000 1.134 514 R CA 1.380 57.517 56.100 0.063 0.000 0.975 514 R CB -0.188 30.116 30.300 0.006 0.000 0.865 514 R HN 0.440 nan 8.270 nan 0.000 0.447 515 N N -1.145 117.642 118.700 0.145 0.000 2.270 515 N HA 0.067 4.807 4.740 -0.000 0.000 0.198 515 N C -0.125 175.469 175.510 0.140 0.000 1.117 515 N CA 0.773 53.918 53.050 0.158 0.000 0.845 515 N CB 1.082 39.627 38.487 0.097 0.000 0.980 515 N HN 0.341 nan 8.380 nan 0.000 0.486 516 G N 0.237 109.154 108.800 0.195 0.000 2.132 516 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.228 516 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.228 516 G C -0.692 174.328 174.900 0.201 0.000 1.000 516 G CA -0.246 45.048 45.100 0.323 0.000 0.693 516 G HN 0.479 nan 8.290 nan 0.000 0.515 517 N N 0.295 119.009 118.700 0.024 0.000 2.415 517 N HA 0.562 5.302 4.740 -0.000 0.000 0.246 517 N C -0.019 175.475 175.510 -0.026 0.000 1.078 517 N CA -0.253 52.845 53.050 0.080 0.000 0.942 517 N CB 0.428 38.944 38.487 0.049 0.000 1.140 517 N HN 0.248 nan 8.380 nan 0.000 0.501 518 F N 1.891 121.914 119.950 0.121 0.000 2.380 518 F HA 0.559 5.086 4.527 -0.000 0.000 0.321 518 F C 0.329 176.176 175.800 0.079 0.000 1.103 518 F CA -1.009 57.049 58.000 0.096 0.000 1.067 518 F CB 0.757 39.803 39.000 0.076 0.000 1.265 518 F HN 0.203 nan 8.300 nan 0.000 0.517 519 L N -1.288 120.089 121.223 0.258 0.000 2.540 519 L HA 0.752 5.092 4.340 -0.000 0.000 0.256 519 L C -0.766 176.219 176.870 0.192 0.000 1.001 519 L CA -0.546 54.414 54.840 0.199 0.000 0.843 519 L CB 1.576 43.740 42.059 0.175 0.000 1.436 519 L HN 0.409 nan 8.230 nan 0.000 0.410 520 T N 1.089 115.747 114.554 0.173 0.000 2.940 520 T HA 0.830 5.180 4.350 -0.000 0.000 0.288 520 T C -0.956 173.878 174.700 0.222 0.000 1.033 520 T CA -0.453 61.750 62.100 0.172 0.000 1.033 520 T CB 0.922 69.868 68.868 0.129 0.000 1.079 520 T HN 0.610 nan 8.240 nan 0.000 0.496 521 L N 2.807 124.196 121.223 0.278 0.000 2.386 521 L HA 0.596 4.936 4.340 -0.000 0.000 0.271 521 L C -0.578 176.489 176.870 0.328 0.000 0.993 521 L CA -0.818 54.192 54.840 0.284 0.000 0.819 521 L CB 2.205 44.389 42.059 0.209 0.000 1.294 521 L HN 0.533 nan 8.230 nan 0.000 0.414 522 Q N 2.175 122.156 119.800 0.303 0.000 2.340 522 Q HA 0.343 4.683 4.340 -0.000 0.000 0.268 522 Q C -1.177 174.804 176.000 -0.032 0.000 1.031 522 Q CA -0.426 55.467 55.803 0.150 0.000 0.804 522 Q CB 2.424 31.217 28.738 0.091 0.000 1.286 522 Q HN 0.480 nan 8.270 nan 0.000 0.448 523 Q N 1.318 120.854 119.800 -0.440 0.000 2.243 523 Q HA 0.369 4.709 4.340 -0.000 0.000 0.252 523 Q C -0.891 174.855 176.000 -0.423 0.000 0.909 523 Q CA -0.310 54.961 55.803 -0.888 0.000 0.922 523 Q CB 1.503 29.409 28.738 -1.385 0.000 1.215 523 Q HN 0.658 nan 8.270 nan 0.000 0.427 524 S N 4.324 119.805 115.700 -0.365 0.000 2.488 524 S HA 0.133 4.603 4.470 -0.000 0.000 0.278 524 S C -1.845 172.624 174.600 -0.219 0.000 1.259 524 S CA -1.324 56.744 58.200 -0.220 0.000 1.061 524 S CB 0.595 63.690 63.200 -0.175 0.000 0.910 524 S HN 0.523 nan 8.310 nan 0.000 0.491 525 P HA -0.109 nan 4.420 nan 0.000 0.215 525 P C 1.569 178.805 177.300 -0.107 0.000 1.153 525 P CA 0.692 63.722 63.100 -0.117 0.000 0.853 525 P CB -0.008 31.651 31.700 -0.067 0.000 0.788 526 V N -0.165 119.693 119.914 -0.092 0.000 2.233 526 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 526 V C 2.500 178.540 176.094 -0.091 0.000 1.050 526 V CA 2.906 65.160 62.300 -0.078 0.000 1.010 526 V CB -1.796 29.990 31.823 -0.063 0.000 0.637 526 V HN 0.315 nan 8.190 nan 0.000 0.444 527 T N -4.969 109.517 114.554 -0.113 0.000 3.023 527 T HA 0.088 4.438 4.350 -0.000 0.000 0.253 527 T C 1.083 175.686 174.700 -0.161 0.000 1.038 527 T CA 0.192 62.223 62.100 -0.115 0.000 0.962 527 T CB 0.184 68.993 68.868 -0.098 0.000 1.018 527 T HN 0.304 nan 8.240 nan 0.000 0.521 528 K N -0.328 119.936 120.400 -0.226 0.000 3.529 528 K HA -0.116 4.204 4.320 -0.000 0.000 0.313 528 K C -0.038 176.303 176.600 -0.432 0.000 1.316 528 K CA 0.878 56.969 56.287 -0.327 0.000 0.988 528 K CB -1.587 30.775 32.500 -0.229 0.000 1.252 528 K HN 0.481 nan 8.250 nan 0.000 0.438 529 Q N -0.483 119.129 119.800 -0.314 0.000 2.417 529 Q HA 0.235 4.575 4.340 -0.000 0.000 0.241 529 Q C 0.150 175.959 176.000 -0.317 0.000 1.008 529 Q CA 0.498 56.156 55.803 -0.241 0.000 0.901 529 Q CB 0.280 28.953 28.738 -0.107 0.000 1.259 529 Q HN 0.148 nan 8.270 nan 0.000 0.489 530 W N 0.742 121.982 121.300 -0.099 0.000 2.606 530 W HA 0.401 5.061 4.660 -0.000 0.000 0.332 530 W C -0.032 176.462 176.519 -0.041 0.000 1.052 530 W CA -0.535 56.772 57.345 -0.062 0.000 1.223 530 W CB 1.515 30.983 29.460 0.013 0.000 1.383 530 W HN 0.335 nan 8.180 nan 0.000 0.524 531 Q N 2.598 122.536 119.800 0.230 0.000 2.337 531 Q HA 0.207 4.547 4.340 -0.000 0.000 0.270 531 Q C -0.805 175.276 176.000 0.135 0.000 1.043 531 Q CA -0.756 55.126 55.803 0.131 0.000 0.794 531 Q CB 1.604 30.387 28.738 0.074 0.000 1.281 531 Q HN 0.558 nan 8.270 nan 0.000 0.446 532 E N 2.471 122.728 120.200 0.095 0.000 2.180 532 E HA 0.341 4.691 4.350 -0.000 0.000 0.283 532 E C -0.885 175.780 176.600 0.109 0.000 1.061 532 E CA -0.432 56.038 56.400 0.116 0.000 0.861 532 E CB 0.678 30.451 29.700 0.122 0.000 1.056 532 E HN 0.263 nan 8.360 nan 0.000 0.407 533 K N 4.563 125.035 120.400 0.120 0.000 2.156 533 K HA 0.341 4.661 4.320 -0.000 0.000 0.271 533 K C -2.440 174.234 176.600 0.123 0.000 0.995 533 K CA -2.173 54.179 56.287 0.109 0.000 0.890 533 K CB 1.054 33.617 32.500 0.104 0.000 1.073 533 K HN 0.390 nan 8.250 nan 0.000 0.454 534 P HA 0.072 nan 4.420 nan 0.000 0.272 534 P C -1.169 176.218 177.300 0.145 0.000 1.223 534 P CA -0.431 62.747 63.100 0.130 0.000 0.784 534 P CB 0.531 32.298 31.700 0.111 0.000 0.923 535 L N 2.986 124.313 121.223 0.174 0.000 2.410 535 L HA 0.634 4.974 4.340 -0.000 0.000 0.270 535 L C -0.852 176.141 176.870 0.206 0.000 0.983 535 L CA -0.742 54.209 54.840 0.185 0.000 0.822 535 L CB 1.037 43.176 42.059 0.132 0.000 1.285 535 L HN 0.581 nan 8.230 nan 0.000 0.409 536 c N 3.533 122.256 118.600 0.205 0.000 2.470 536 c HA 0.766 5.336 4.570 -0.000 0.000 0.341 536 c C -0.361 173.835 174.090 0.177 0.000 1.190 536 c CA -1.051 55.385 56.329 0.177 0.000 1.904 536 c CB 0.932 43.519 42.510 0.128 0.000 2.354 536 c HN 0.842 nan 8.230 nan 0.000 0.509 537 L N 2.301 123.614 121.223 0.150 0.000 2.329 537 L HA 0.811 5.150 4.340 -0.000 0.000 0.279 537 L C 0.553 177.479 176.870 0.094 0.000 1.014 537 L CA -0.088 54.826 54.840 0.123 0.000 0.814 537 L CB 1.707 43.844 42.059 0.130 0.000 1.257 537 L HN 1.107 nan 8.230 nan 0.000 0.424 538 G N 0.428 109.269 108.800 0.068 0.000 2.696 538 G HA2 0.510 4.470 3.960 -0.000 0.000 0.295 538 G HA3 0.510 4.470 3.960 -0.000 0.000 0.295 538 G C -1.065 173.857 174.900 0.036 0.000 1.398 538 G CA -0.388 44.745 45.100 0.055 0.000 0.920 538 G HN 0.350 nan 8.290 nan 0.000 0.492 539 T N 1.040 115.622 114.554 0.047 0.000 2.907 539 T HA 0.510 4.860 4.350 -0.000 0.000 0.298 539 T C 0.138 174.852 174.700 0.024 0.000 1.017 539 T CA 0.298 62.417 62.100 0.032 0.000 1.118 539 T CB 0.916 69.823 68.868 0.065 0.000 0.948 539 T HN 0.441 nan 8.240 nan 0.000 0.531 540 S N 2.060 117.765 115.700 0.008 0.000 2.423 540 S HA 0.570 5.040 4.470 -0.000 0.000 0.213 540 S C 0.663 175.262 174.600 -0.002 0.000 1.131 540 S CA -0.361 57.840 58.200 0.001 0.000 1.155 540 S CB 0.895 64.085 63.200 -0.016 0.000 1.202 540 S HN 1.284 nan 8.310 nan 0.000 0.441 541 G N 3.155 111.958 108.800 0.006 0.000 2.531 541 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.274 541 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.274 541 G C 1.007 175.913 174.900 0.009 0.000 1.159 541 G CA 0.336 45.440 45.100 0.006 0.000 0.969 541 G HN 1.290 nan 8.290 nan 0.000 0.554 542 S N -1.297 114.407 115.700 0.006 0.000 2.515 542 S HA 0.158 4.628 4.470 -0.000 0.000 0.231 542 S C 1.304 175.901 174.600 -0.004 0.000 0.987 542 S CA 1.224 59.429 58.200 0.007 0.000 0.936 542 S CB -0.283 62.921 63.200 0.007 0.000 0.766 542 S HN 1.603 nan 8.310 nan 0.000 0.528 543 c N 4.970 123.562 118.600 -0.012 0.000 2.239 543 c HA 0.590 5.160 4.570 -0.000 0.000 0.325 543 c C 0.362 174.420 174.090 -0.053 0.000 1.231 543 c CA -1.078 55.236 56.329 -0.024 0.000 1.652 543 c CB -0.551 41.950 42.510 -0.014 0.000 2.284 543 c HN 0.342 nan 8.230 nan 0.000 0.499 544 R N 3.500 123.926 120.500 -0.124 0.000 2.553 544 R HA 0.444 4.784 4.340 -0.000 0.000 0.263 544 R C 1.027 177.210 176.300 -0.195 0.000 1.066 544 R CA -0.397 55.563 56.100 -0.234 0.000 1.135 544 R CB 0.405 30.331 30.300 -0.624 0.000 1.148 544 R HN 0.898 nan 8.270 nan 0.000 0.558 545 G N 0.005 108.728 108.800 -0.128 0.000 3.393 545 G HA2 0.175 4.135 3.960 -0.000 0.000 0.255 545 G HA3 0.175 4.135 3.960 -0.000 0.000 0.255 545 G C -0.391 174.558 174.900 0.082 0.000 1.097 545 G CA 0.098 45.211 45.100 0.021 0.000 0.780 545 G HN 0.549 nan 8.290 nan 0.000 0.540 546 Y N -1.312 118.981 120.300 -0.010 0.000 2.677 546 Y HA 0.822 5.372 4.550 -0.000 0.000 0.334 546 Y C -0.973 174.868 175.900 -0.099 0.000 1.154 546 Y CA -2.969 55.058 58.100 -0.123 0.000 1.070 546 Y CB 1.135 39.498 38.460 -0.162 0.000 1.294 546 Y HN 0.052 nan 8.280 nan 0.000 0.475 547 F N -1.117 118.794 119.950 -0.065 0.000 2.711 547 F HA 0.835 5.362 4.527 -0.000 0.000 0.313 547 F C -1.022 174.778 175.800 0.001 0.000 1.141 547 F CA -1.267 56.535 58.000 -0.331 0.000 0.941 547 F CB 1.129 39.544 39.000 -0.976 0.000 1.349 547 F HN 0.637 nan 8.300 nan 0.000 0.464 548 S N 0.222 116.095 115.700 0.288 0.000 2.654 548 S HA 0.842 5.312 4.470 -0.000 0.000 0.283 548 S C 0.278 175.012 174.600 0.222 0.000 1.180 548 S CA -0.179 58.135 58.200 0.190 0.000 1.021 548 S CB 0.876 64.221 63.200 0.240 0.000 1.018 548 S HN 2.406 nan 8.310 nan 0.000 0.532 549 G N 1.245 110.040 108.800 -0.008 0.000 2.562 549 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.250 549 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.250 549 G C -0.790 173.980 174.900 -0.217 0.000 1.269 549 G CA -0.026 45.001 45.100 -0.121 0.000 0.919 549 G HN 1.115 nan 8.290 nan 0.000 0.574 550 H N -1.146 118.046 119.070 0.203 0.000 2.679 550 H HA 0.626 5.182 4.556 -0.000 0.000 0.367 550 H C 0.468 175.884 175.328 0.147 0.000 1.162 550 H CA -0.909 55.247 56.048 0.180 0.000 1.181 550 H CB 1.408 31.221 29.762 0.085 0.000 1.693 550 H HN 0.551 nan 8.280 nan 0.000 0.538 551 I N 3.367 124.072 120.570 0.225 0.000 2.533 551 I HA -0.079 4.091 4.170 -0.000 0.000 0.284 551 I C 0.631 176.711 176.117 -0.063 0.000 1.109 551 I CA 0.442 61.725 61.300 -0.028 0.000 1.412 551 I CB 0.642 38.540 38.000 -0.169 0.000 1.396 551 I HN 0.539 nan 8.210 nan 0.000 0.543 552 L N 5.604 126.760 121.223 -0.110 0.000 2.575 552 L HA 0.402 4.742 4.340 -0.000 0.000 0.228 552 L C 0.951 177.722 176.870 -0.165 0.000 1.075 552 L CA 0.058 54.844 54.840 -0.089 0.000 0.867 552 L CB 0.151 42.193 42.059 -0.027 0.000 1.097 552 L HN 0.804 nan 8.230 nan 0.000 0.485 553 G N -0.928 107.677 108.800 -0.325 0.000 2.495 553 G HA2 0.503 4.463 3.960 -0.000 0.000 0.294 553 G HA3 0.503 4.463 3.960 -0.000 0.000 0.294 553 G C -1.896 172.661 174.900 -0.571 0.000 1.397 553 G CA -0.477 44.428 45.100 -0.325 0.000 0.790 553 G HN -0.187 nan 8.290 nan 0.000 0.486 554 F N -0.838 119.121 119.950 0.015 0.000 2.631 554 F HA 0.860 5.387 4.527 -0.000 0.000 0.328 554 F C 0.718 176.501 175.800 -0.029 0.000 1.067 554 F CA -0.313 57.678 58.000 -0.015 0.000 0.969 554 F CB 2.676 41.660 39.000 -0.027 0.000 1.332 554 F HN 0.794 nan 8.300 nan 0.000 0.490 555 G N 0.171 109.075 108.800 0.173 0.000 2.706 555 G HA2 0.564 4.524 3.960 -0.000 0.000 0.297 555 G HA3 0.564 4.524 3.960 -0.000 0.000 0.297 555 G C -2.295 172.704 174.900 0.165 0.000 1.403 555 G CA -0.587 44.586 45.100 0.122 0.000 0.954 555 G HN 0.633 nan 8.290 nan 0.000 0.500 556 E N 0.770 121.059 120.200 0.148 0.000 2.275 556 E HA 0.410 4.760 4.350 -0.000 0.000 0.270 556 E C -1.132 175.607 176.600 0.232 0.000 0.882 556 E CA -0.737 55.759 56.400 0.159 0.000 0.758 556 E CB 2.102 31.845 29.700 0.072 0.000 1.195 556 E HN 0.558 nan 8.360 nan 0.000 0.419 557 D N 2.282 122.818 120.400 0.227 0.000 2.478 557 D HA 0.045 4.685 4.640 -0.000 0.000 0.263 557 D C 0.734 176.898 176.300 -0.227 0.000 1.153 557 D CA -0.365 53.698 54.000 0.104 0.000 1.038 557 D CB 0.713 41.609 40.800 0.159 0.000 1.120 557 D HN 0.561 nan 8.370 nan 0.000 0.564 558 E N -1.213 118.706 120.200 -0.467 0.000 2.268 558 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 558 E C 1.567 177.921 176.600 -0.410 0.000 0.995 558 E CA 0.439 56.317 56.400 -0.870 0.000 0.836 558 E CB -0.007 29.383 29.700 -0.516 0.000 0.763 558 E HN 0.422 nan 8.360 nan 0.000 0.491 559 L N -1.113 119.978 121.223 -0.219 0.000 2.558 559 L HA 0.170 4.510 4.340 -0.000 0.000 0.225 559 L C 1.415 178.206 176.870 -0.131 0.000 1.128 559 L CA 0.628 55.389 54.840 -0.133 0.000 0.868 559 L CB 0.205 42.220 42.059 -0.074 0.000 1.006 559 L HN 0.360 nan 8.230 nan 0.000 0.454 560 G N -0.219 108.486 108.800 -0.158 0.000 2.176 560 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.232 560 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.232 560 G C 0.094 174.867 174.900 -0.211 0.000 0.986 560 G CA -0.357 44.629 45.100 -0.190 0.000 0.643 560 G HN 0.298 nan 8.290 nan 0.000 0.522 561 E N 0.261 120.403 120.200 -0.096 0.000 2.349 561 E HA 0.562 4.912 4.350 -0.000 0.000 0.265 561 E C 0.759 177.272 176.600 -0.145 0.000 1.064 561 E CA -0.003 56.352 56.400 -0.076 0.000 0.886 561 E CB 2.144 31.782 29.700 -0.103 0.000 1.036 561 E HN 0.996 nan 8.360 nan 0.000 0.413 562 V N -0.513 119.247 119.914 -0.256 0.000 2.815 562 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 562 V C -1.014 174.785 176.094 -0.493 0.000 1.064 562 V CA -0.763 61.334 62.300 -0.338 0.000 0.952 562 V CB 1.011 32.477 31.823 -0.595 0.000 1.020 562 V HN 0.576 nan 8.190 nan 0.000 0.439 563 Y N 1.855 122.056 120.300 -0.166 0.000 2.576 563 Y HA 0.724 5.274 4.550 -0.000 0.000 0.346 563 Y C -0.071 175.818 175.900 -0.019 0.000 1.018 563 Y CA -0.941 57.117 58.100 -0.070 0.000 1.050 563 Y CB 2.293 40.721 38.460 -0.052 0.000 1.280 563 Y HN 0.587 nan 8.280 nan 0.000 0.474 564 I N 2.735 123.394 120.570 0.147 0.000 2.392 564 I HA 0.320 4.490 4.170 -0.000 0.000 0.295 564 I C -1.076 175.038 176.117 -0.006 0.000 0.985 564 I CA -0.561 60.737 61.300 -0.003 0.000 1.221 564 I CB 1.246 39.161 38.000 -0.141 0.000 1.366 564 I HN 0.317 nan 8.210 nan 0.000 0.467 565 L N 6.205 127.359 121.223 -0.115 0.000 2.296 565 L HA 0.505 4.845 4.340 -0.000 0.000 0.286 565 L C -0.073 176.762 176.870 -0.059 0.000 1.023 565 L CA 0.067 54.867 54.840 -0.066 0.000 0.812 565 L CB 1.622 43.635 42.059 -0.077 0.000 1.223 565 L HN 0.681 nan 8.230 nan 0.000 0.421 566 S N 1.457 117.177 115.700 0.033 0.000 2.627 566 S HA 0.923 5.393 4.470 -0.000 0.000 0.283 566 S C -0.712 173.956 174.600 0.114 0.000 1.127 566 S CA -0.703 57.554 58.200 0.096 0.000 0.863 566 S CB 2.206 65.531 63.200 0.208 0.000 1.121 566 S HN 0.496 nan 8.310 nan 0.000 0.479 567 S N -0.219 115.563 115.700 0.135 0.000 2.636 567 S HA 0.845 5.315 4.470 -0.000 0.000 0.268 567 S C -1.178 173.505 174.600 0.138 0.000 1.159 567 S CA -0.052 58.218 58.200 0.116 0.000 0.815 567 S CB 1.045 64.300 63.200 0.093 0.000 1.130 567 S HN 1.731 nan 8.310 nan 0.000 0.471 568 S N 0.951 116.721 115.700 0.116 0.000 2.851 568 S HA 0.568 5.038 4.470 -0.000 0.000 0.313 568 S C 0.434 175.106 174.600 0.120 0.000 1.163 568 S CA -0.788 57.495 58.200 0.139 0.000 0.850 568 S CB 1.246 64.480 63.200 0.056 0.000 1.245 568 S HN 0.707 nan 8.310 nan 0.000 0.558 569 K N 0.294 120.765 120.400 0.117 0.000 2.155 569 K HA 0.023 4.343 4.320 -0.000 0.000 0.203 569 K C 2.210 178.839 176.600 0.049 0.000 1.052 569 K CA 1.131 57.464 56.287 0.077 0.000 0.948 569 K CB -0.321 32.221 32.500 0.071 0.000 0.728 569 K HN 0.529 nan 8.250 nan 0.000 0.448 570 S N 0.268 115.994 115.700 0.043 0.000 2.371 570 S HA -0.120 4.349 4.470 -0.000 0.000 0.224 570 S C 1.938 176.549 174.600 0.018 0.000 1.029 570 S CA 0.955 59.168 58.200 0.022 0.000 0.978 570 S CB -0.064 63.146 63.200 0.018 0.000 0.833 570 S HN 0.237 nan 8.310 nan 0.000 0.466 571 M N 0.789 120.411 119.600 0.036 0.000 2.117 571 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 571 M C 2.366 178.689 176.300 0.038 0.000 1.065 571 M CA 1.840 57.165 55.300 0.040 0.000 1.114 571 M CB -0.454 32.185 32.600 0.065 0.000 1.361 571 M HN 0.383 nan 8.290 nan 0.000 0.408 572 T N -1.002 113.583 114.554 0.051 0.000 3.023 572 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 572 T C 1.635 176.363 174.700 0.048 0.000 1.093 572 T CA 1.191 63.333 62.100 0.070 0.000 1.129 572 T CB -0.100 68.813 68.868 0.076 0.000 0.899 572 T HN 0.569 nan 8.240 nan 0.000 0.491 573 Q N 0.450 120.246 119.800 -0.006 0.000 2.172 573 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 573 Q C 1.278 177.154 176.000 -0.205 0.000 0.964 573 Q CA 1.566 57.333 55.803 -0.060 0.000 0.855 573 Q CB -0.013 28.704 28.738 -0.036 0.000 0.918 573 Q HN 0.596 nan 8.270 nan 0.000 0.444 574 T N -1.813 112.618 114.554 -0.205 0.000 3.176 574 T HA 0.155 4.505 4.350 -0.000 0.000 0.263 574 T C -0.596 173.903 174.700 -0.335 0.000 1.021 574 T CA -0.292 61.620 62.100 -0.315 0.000 0.905 574 T CB -0.004 68.778 68.868 -0.143 0.000 1.057 574 T HN 0.334 nan 8.240 nan 0.000 0.558 575 H N 0.833 119.893 119.070 -0.017 0.000 2.592 575 H HA -0.129 4.427 4.556 -0.000 0.000 0.323 575 H C -0.075 175.234 175.328 -0.032 0.000 1.117 575 H CA 0.432 56.462 56.048 -0.031 0.000 1.120 575 H CB -2.283 27.447 29.762 -0.055 0.000 1.561 575 H HN 0.393 nan 8.280 nan 0.000 0.409 576 N N 0.498 119.232 118.700 0.057 0.000 2.660 576 N HA 0.265 5.005 4.740 -0.000 0.000 0.316 576 N C 0.619 176.146 175.510 0.029 0.000 1.774 576 N CA 0.441 53.507 53.050 0.027 0.000 0.946 576 N CB 0.446 38.939 38.487 0.010 0.000 1.322 576 N HN 0.593 nan 8.380 nan 0.000 0.492 577 G N 0.413 109.231 108.800 0.030 0.000 2.539 577 G HA2 0.400 4.360 3.960 -0.000 0.000 0.258 577 G HA3 0.400 4.360 3.960 -0.000 0.000 0.258 577 G C -0.361 174.522 174.900 -0.029 0.000 1.202 577 G CA -0.217 44.895 45.100 0.020 0.000 0.851 577 G HN 0.256 nan 8.290 nan 0.000 0.556 578 K N -0.433 119.942 120.400 -0.043 0.000 2.477 578 K HA 0.443 4.763 4.320 -0.000 0.000 0.255 578 K C -1.673 174.823 176.600 -0.174 0.000 0.952 578 K CA -0.920 55.268 56.287 -0.165 0.000 0.826 578 K CB 2.658 34.980 32.500 -0.296 0.000 1.331 578 K HN 0.269 nan 8.250 nan 0.000 0.437 579 L N 2.711 123.777 121.223 -0.262 0.000 2.294 579 L HA 0.419 4.759 4.340 -0.000 0.000 0.283 579 L C -1.714 175.042 176.870 -0.190 0.000 1.015 579 L CA -0.219 54.524 54.840 -0.161 0.000 0.831 579 L CB 0.321 42.287 42.059 -0.155 0.000 1.217 579 L HN 0.458 nan 8.230 nan 0.000 0.420 580 Y N 3.457 123.780 120.300 0.037 0.000 2.446 580 Y HA 0.531 5.081 4.550 -0.000 0.000 0.338 580 Y C 0.081 176.022 175.900 0.067 0.000 1.055 580 Y CA -0.576 57.543 58.100 0.031 0.000 1.101 580 Y CB 1.705 40.128 38.460 -0.062 0.000 1.221 580 Y HN 0.455 nan 8.280 nan 0.000 0.460 581 K N 2.565 123.054 120.400 0.147 0.000 2.123 581 K HA 0.597 4.917 4.320 -0.000 0.000 0.259 581 K C -1.166 175.346 176.600 -0.147 0.000 0.960 581 K CA -0.449 55.721 56.287 -0.195 0.000 0.872 581 K CB 0.830 33.193 32.500 -0.228 0.000 1.079 581 K HN 0.648 nan 8.250 nan 0.000 0.440 582 I N 3.856 124.282 120.570 -0.241 0.000 2.365 582 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 582 I C -0.653 175.407 176.117 -0.096 0.000 1.004 582 I CA -0.886 60.314 61.300 -0.166 0.000 1.311 582 I CB 1.600 39.456 38.000 -0.240 0.000 1.401 582 I HN 0.249 nan 8.210 nan 0.000 0.491 583 V N 4.460 124.376 119.914 0.003 0.000 2.735 583 V HA 0.262 4.382 4.120 -0.000 0.000 0.310 583 V C -0.571 175.610 176.094 0.145 0.000 1.061 583 V CA -0.712 61.614 62.300 0.043 0.000 0.913 583 V CB 2.203 34.030 31.823 0.005 0.000 1.005 583 V HN 0.609 nan 8.190 nan 0.000 0.428 584 D N 5.433 125.899 120.400 0.109 0.000 2.428 584 D HA 0.348 4.988 4.640 -0.000 0.000 0.221 584 D C -1.629 174.618 176.300 -0.088 0.000 1.123 584 D CA -2.121 51.866 54.000 -0.022 0.000 0.869 584 D CB 2.021 42.832 40.800 0.018 0.000 1.032 584 D HN 0.202 nan 8.370 nan 0.000 0.506 585 P HA -0.101 nan 4.420 nan 0.000 0.222 585 P C 1.005 178.242 177.300 -0.105 0.000 1.147 585 P CA 0.826 63.869 63.100 -0.096 0.000 0.790 585 P CB 0.340 31.981 31.700 -0.098 0.000 0.780 586 K N -0.967 119.345 120.400 -0.146 0.000 2.283 586 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 586 K C 0.971 177.524 176.600 -0.079 0.000 1.048 586 K CA 0.678 56.892 56.287 -0.122 0.000 0.948 586 K CB 0.090 32.499 32.500 -0.151 0.000 0.742 586 K HN 0.194 nan 8.250 nan 0.000 0.458 587 R N 0.610 121.073 120.500 -0.062 0.000 2.828 587 R HA 0.338 4.678 4.340 -0.000 0.000 0.264 587 R C -2.570 173.716 176.300 -0.023 0.000 1.022 587 R CA -2.210 53.872 56.100 -0.031 0.000 1.021 587 R CB 0.442 30.738 30.300 -0.006 0.000 1.163 587 R HN -0.146 nan 8.270 nan 0.000 0.494 588 P HA 0.099 nan 4.420 nan 0.000 0.271 588 P C 0.673 177.970 177.300 -0.004 0.000 1.233 588 P CA -0.149 62.944 63.100 -0.012 0.000 0.789 588 P CB 0.564 32.258 31.700 -0.009 0.000 0.951 589 L N -0.390 120.830 121.223 -0.006 0.000 2.240 589 L HA 0.073 4.413 4.340 -0.000 0.000 0.211 589 L C 1.184 178.055 176.870 0.001 0.000 1.106 589 L CA 1.226 56.065 54.840 -0.002 0.000 0.793 589 L CB -0.146 41.910 42.059 -0.005 0.000 0.927 589 L HN 0.379 nan 8.230 nan 0.000 0.446 590 M N 0.369 119.968 119.600 -0.002 0.000 2.353 590 M HA 0.405 4.885 4.480 -0.000 0.000 0.218 590 M C -2.580 173.718 176.300 -0.002 0.000 1.044 590 M CA -2.408 52.891 55.300 -0.002 0.000 0.615 590 M CB 0.505 33.102 32.600 -0.005 0.000 1.531 590 M HN -0.304 nan 8.290 nan 0.000 0.378 591 P HA 0.056 nan 4.420 nan 0.000 0.266 591 P C 0.360 177.657 177.300 -0.005 0.000 1.193 591 P CA 0.263 63.362 63.100 -0.002 0.000 0.770 591 P CB 0.706 32.407 31.700 0.003 0.000 0.836 592 E N 1.725 121.921 120.200 -0.007 0.000 2.086 592 E HA -0.284 4.066 4.350 -0.000 0.000 0.200 592 E C 1.692 178.286 176.600 -0.010 0.000 1.012 592 E CA 1.750 58.145 56.400 -0.009 0.000 0.812 592 E CB -0.204 29.490 29.700 -0.009 0.000 0.743 592 E HN 0.613 nan 8.360 nan 0.000 0.453 593 E N 0.022 120.216 120.200 -0.011 0.000 2.401 593 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 593 E C 1.232 177.824 176.600 -0.013 0.000 1.023 593 E CA 1.056 57.447 56.400 -0.015 0.000 0.859 593 E CB -0.239 29.448 29.700 -0.021 0.000 0.780 593 E HN 0.357 nan 8.360 nan 0.000 0.523 594 c N 1.143 119.738 118.600 -0.008 0.000 2.906 594 c HA 0.315 4.885 4.570 -0.000 0.000 0.274 594 c C 1.060 175.143 174.090 -0.011 0.000 1.257 594 c CA -0.780 55.545 56.329 -0.007 0.000 1.695 594 c CB -0.765 41.746 42.510 0.002 0.000 1.958 594 c HN 0.195 nan 8.230 nan 0.000 0.619 595 R N 1.994 122.487 120.500 -0.011 0.000 2.643 595 R HA 0.509 4.849 4.340 -0.000 0.000 0.270 595 R C -0.178 176.114 176.300 -0.014 0.000 1.061 595 R CA 0.652 56.745 56.100 -0.012 0.000 1.107 595 R CB 0.283 30.577 30.300 -0.010 0.000 0.999 595 R HN 0.418 nan 8.270 nan 0.000 0.460 596 A N 1.314 124.125 122.820 -0.016 0.000 2.589 596 A HA 0.390 4.710 4.320 -0.000 0.000 0.296 596 A C -0.931 176.644 177.584 -0.016 0.000 1.062 596 A CA -0.729 51.297 52.037 -0.017 0.000 0.686 596 A CB 2.019 21.004 19.000 -0.025 0.000 1.282 596 A HN 0.532 nan 8.150 nan 0.000 0.404 597 T N 1.620 116.166 114.554 -0.012 0.000 2.744 597 T HA 0.442 4.792 4.350 -0.000 0.000 0.291 597 T C 0.086 174.781 174.700 -0.008 0.000 0.957 597 T CA -0.196 61.898 62.100 -0.009 0.000 1.002 597 T CB 1.004 69.869 68.868 -0.005 0.000 0.919 597 T HN 0.580 nan 8.240 nan 0.000 0.468 598 V N 4.972 124.882 119.914 -0.008 0.000 2.529 598 V HA 0.058 4.178 4.120 -0.000 0.000 0.292 598 V C 0.492 176.589 176.094 0.005 0.000 1.028 598 V CA 0.361 62.658 62.300 -0.005 0.000 1.074 598 V CB 0.539 32.358 31.823 -0.006 0.000 0.958 598 V HN 0.812 nan 8.190 nan 0.000 0.481 599 Q N 6.615 126.421 119.800 0.011 0.000 2.462 599 Q HA 0.313 4.653 4.340 -0.000 0.000 0.247 599 Q C -2.481 173.538 176.000 0.033 0.000 1.044 599 Q CA -1.839 53.975 55.803 0.018 0.000 0.803 599 Q CB 1.532 30.279 28.738 0.015 0.000 1.190 599 Q HN 0.533 nan 8.270 nan 0.000 0.507 600 P HA -0.077 nan 4.420 nan 0.000 0.264 600 P C -0.691 176.648 177.300 0.066 0.000 1.193 600 P CA 0.190 63.331 63.100 0.067 0.000 0.763 600 P CB 0.599 32.337 31.700 0.064 0.000 0.810 601 A N 3.831 126.709 122.820 0.097 0.000 2.546 601 A HA 0.093 4.413 4.320 -0.000 0.000 0.243 601 A C 0.353 177.932 177.584 -0.008 0.000 1.063 601 A CA 0.237 52.309 52.037 0.057 0.000 0.757 601 A CB -0.261 18.786 19.000 0.079 0.000 0.991 601 A HN 0.417 nan 8.150 nan 0.000 0.503 602 Q N 0.898 120.687 119.800 -0.019 0.000 2.226 602 Q HA 0.373 4.713 4.340 -0.000 0.000 0.256 602 Q C 0.259 176.219 176.000 -0.066 0.000 0.962 602 Q CA -0.266 55.514 55.803 -0.039 0.000 0.887 602 Q CB 1.312 30.033 28.738 -0.029 0.000 1.282 602 Q HN 0.765 nan 8.270 nan 0.000 0.449 603 T N 1.425 115.941 114.554 -0.065 0.000 2.946 603 T HA 0.081 4.431 4.350 -0.000 0.000 0.311 603 T C 0.567 175.220 174.700 -0.079 0.000 1.063 603 T CA -0.058 62.000 62.100 -0.070 0.000 1.139 603 T CB 0.109 68.942 68.868 -0.057 0.000 0.994 603 T HN 0.304 nan 8.240 nan 0.000 0.547 604 L N 3.113 124.280 121.223 -0.093 0.000 2.615 604 L HA -0.033 4.307 4.340 -0.000 0.000 0.284 604 L C 1.526 178.342 176.870 -0.091 0.000 1.237 604 L CA 0.570 55.344 54.840 -0.110 0.000 0.905 604 L CB 0.446 42.439 42.059 -0.111 0.000 1.149 604 L HN 0.786 nan 8.230 nan 0.000 0.499 605 T N 0.366 114.866 114.554 -0.090 0.000 2.975 605 T HA 0.028 4.378 4.350 -0.000 0.000 0.261 605 T C 0.809 175.462 174.700 -0.078 0.000 0.984 605 T CA 0.274 62.329 62.100 -0.076 0.000 0.911 605 T CB 0.191 69.023 68.868 -0.061 0.000 1.127 605 T HN 0.801 nan 8.240 nan 0.000 0.514 606 S N 1.159 116.810 115.700 -0.082 0.000 2.550 606 S HA 0.020 4.490 4.470 -0.000 0.000 0.285 606 S C 1.164 175.707 174.600 -0.096 0.000 1.326 606 S CA -0.012 58.144 58.200 -0.073 0.000 1.037 606 S CB 0.755 63.914 63.200 -0.067 0.000 0.838 606 S HN 0.513 nan 8.310 nan 0.000 0.519 607 E N 0.503 120.651 120.200 -0.085 0.000 2.051 607 E HA -0.197 4.152 4.350 -0.000 0.000 0.192 607 E C 2.248 178.682 176.600 -0.276 0.000 0.991 607 E CA 1.594 57.900 56.400 -0.157 0.000 0.799 607 E CB -0.325 29.337 29.700 -0.064 0.000 0.748 607 E HN 0.840 nan 8.360 nan 0.000 0.449 608 c N 0.146 118.662 118.600 -0.140 0.000 2.413 608 c HA -0.097 4.473 4.570 -0.000 0.000 0.277 608 c C 3.031 177.029 174.090 -0.153 0.000 1.265 608 c CA 1.547 57.809 56.329 -0.112 0.000 1.752 608 c CB -1.122 41.422 42.510 0.057 0.000 1.998 608 c HN 0.492 nan 8.230 nan 0.000 0.489 609 S N -0.228 115.398 115.700 -0.123 0.000 2.368 609 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 609 S C 2.081 176.597 174.600 -0.140 0.000 1.030 609 S CA 1.351 59.486 58.200 -0.108 0.000 0.999 609 S CB -0.357 62.788 63.200 -0.092 0.000 0.844 609 S HN 0.763 nan 8.310 nan 0.000 0.459 610 R N 0.061 120.453 120.500 -0.180 0.000 2.115 610 R HA 0.082 4.422 4.340 -0.000 0.000 0.230 610 R C 1.897 178.066 176.300 -0.218 0.000 1.111 610 R CA 1.272 57.264 56.100 -0.180 0.000 0.976 610 R CB -0.191 30.003 30.300 -0.175 0.000 0.870 610 R HN 0.413 nan 8.270 nan 0.000 0.445 611 L N -1.260 119.760 121.223 -0.338 0.000 2.577 611 L HA 0.171 4.511 4.340 -0.000 0.000 0.225 611 L C 1.015 177.761 176.870 -0.207 0.000 1.053 611 L CA -0.339 54.282 54.840 -0.365 0.000 0.866 611 L CB 0.423 42.016 42.059 -0.776 0.000 1.132 611 L HN 0.104 nan 8.230 nan 0.000 0.486 612 c N 2.200 120.702 118.600 -0.163 0.000 2.485 612 c HA 0.163 4.733 4.570 -0.000 0.000 0.408 612 c C 2.055 176.095 174.090 -0.083 0.000 1.034 612 c CA -0.404 55.902 56.329 -0.038 0.000 1.267 612 c CB -1.069 41.460 42.510 0.031 0.000 1.703 612 c HN 0.295 nan 8.230 nan 0.000 0.530 613 R N 2.279 122.702 120.500 -0.128 0.000 2.080 613 R HA 0.109 4.449 4.340 -0.000 0.000 0.222 613 R C 0.609 176.768 176.300 -0.234 0.000 1.107 613 R CA 0.907 56.907 56.100 -0.168 0.000 0.980 613 R CB -0.231 29.953 30.300 -0.193 0.000 0.879 613 R HN 0.657 nan 8.270 nan 0.000 0.439 614 N N 0.949 119.439 118.700 -0.350 0.000 3.301 614 N HA 0.277 5.017 4.740 -0.000 0.000 0.289 614 N C -0.003 175.332 175.510 -0.291 0.000 1.343 614 N CA 0.384 53.112 53.050 -0.537 0.000 1.136 614 N CB 1.181 38.888 38.487 -1.300 0.000 1.402 614 N HN 0.306 nan 8.380 nan 0.000 0.516 615 G N 0.421 109.139 108.800 -0.137 0.000 2.403 615 G HA2 0.090 4.050 3.960 -0.000 0.000 0.223 615 G HA3 0.090 4.050 3.960 -0.000 0.000 0.223 615 G C -2.175 172.757 174.900 0.054 0.000 1.287 615 G CA -0.732 44.337 45.100 -0.053 0.000 0.982 615 G HN 0.240 nan 8.290 nan 0.000 0.471 616 Y N -1.195 119.108 120.300 0.005 0.000 2.534 616 Y HA 0.753 5.303 4.550 -0.000 0.000 0.345 616 Y C -0.127 175.795 175.900 0.037 0.000 1.031 616 Y CA -1.942 56.168 58.100 0.016 0.000 1.022 616 Y CB 0.771 39.246 38.460 0.026 0.000 1.292 616 Y HN 0.727 nan 8.280 nan 0.000 0.459 617 c N 2.627 121.373 118.600 0.244 0.000 2.466 617 c HA 0.689 5.259 4.570 -0.000 0.000 0.379 617 c C 0.839 175.106 174.090 0.295 0.000 1.251 617 c CA -0.064 56.370 56.329 0.176 0.000 2.263 617 c CB 0.560 43.133 42.510 0.104 0.000 2.511 617 c HN 0.951 nan 8.230 nan 0.000 0.573 618 T N -0.036 114.652 114.554 0.223 0.000 2.902 618 T HA 0.288 4.638 4.350 -0.000 0.000 0.280 618 T C -1.965 172.836 174.700 0.167 0.000 0.992 618 T CA -1.367 60.883 62.100 0.251 0.000 1.015 618 T CB 0.847 69.846 68.868 0.217 0.000 1.044 618 T HN 0.389 nan 8.240 nan 0.000 0.520 619 P HA -0.091 nan 4.420 nan 0.000 0.222 619 P C 1.406 178.714 177.300 0.014 0.000 1.142 619 P CA 1.177 64.312 63.100 0.058 0.000 0.788 619 P CB -0.244 31.579 31.700 0.205 0.000 0.767 620 T N -6.370 108.234 114.554 0.084 0.000 3.065 620 T HA 0.338 4.688 4.350 -0.000 0.000 0.252 620 T C 1.511 176.244 174.700 0.056 0.000 1.099 620 T CA 0.556 62.697 62.100 0.069 0.000 1.063 620 T CB -0.279 68.644 68.868 0.091 0.000 0.948 620 T HN 0.202 nan 8.240 nan 0.000 0.506 621 G N 0.987 109.825 108.800 0.064 0.000 2.168 621 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.197 621 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.197 621 G C -0.032 174.933 174.900 0.108 0.000 0.997 621 G CA -0.364 44.782 45.100 0.077 0.000 0.658 621 G HN 0.515 nan 8.290 nan 0.000 0.513 622 K N 1.103 121.553 120.400 0.083 0.000 2.310 622 K HA 0.424 4.744 4.320 -0.000 0.000 0.290 622 K C 0.310 176.929 176.600 0.031 0.000 1.077 622 K CA -0.370 55.948 56.287 0.051 0.000 0.922 622 K CB 0.421 32.942 32.500 0.035 0.000 1.057 622 K HN 0.253 nan 8.250 nan 0.000 0.479 623 c N 5.167 123.788 118.600 0.035 0.000 2.585 623 c HA 0.274 4.844 4.570 -0.000 0.000 0.406 623 c C 0.181 174.184 174.090 -0.145 0.000 1.312 623 c CA -0.498 55.827 56.329 -0.005 0.000 1.924 623 c CB -0.869 41.722 42.510 0.135 0.000 2.578 623 c HN 0.767 nan 8.230 nan 0.000 0.580 624 c N 6.760 125.154 118.600 -0.344 0.000 2.294 624 c HA 0.362 4.932 4.570 -0.000 0.000 0.319 624 c C 0.448 174.295 174.090 -0.406 0.000 1.164 624 c CA -0.972 55.061 56.329 -0.494 0.000 1.497 624 c CB -1.494 40.414 42.510 -1.003 0.000 2.061 624 c HN 1.012 nan 8.230 nan 0.000 0.438 625 c N 3.314 121.812 118.600 -0.169 0.000 2.657 625 c HA 0.240 4.810 4.570 -0.000 0.000 0.420 625 c C 1.458 175.558 174.090 0.016 0.000 1.323 625 c CA 0.106 56.410 56.329 -0.042 0.000 1.894 625 c CB -0.585 41.962 42.510 0.061 0.000 2.681 625 c HN 0.984 nan 8.230 nan 0.000 0.613 626 S N 3.961 119.705 115.700 0.074 0.000 2.658 626 S HA 0.136 4.606 4.470 -0.000 0.000 0.249 626 S C -2.327 172.411 174.600 0.231 0.000 1.363 626 S CA -0.205 58.095 58.200 0.167 0.000 0.964 626 S CB -0.490 62.825 63.200 0.191 0.000 0.973 626 S HN 0.666 nan 8.310 nan 0.000 0.588 627 P HA 0.407 nan 4.420 nan 0.000 0.286 627 P C 0.363 177.733 177.300 0.117 0.000 1.269 627 P CA 0.125 63.308 63.100 0.139 0.000 0.787 627 P CB 0.566 32.320 31.700 0.090 0.000 0.920 628 G N 0.734 109.548 108.800 0.025 0.000 2.130 628 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 628 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 628 G C -0.768 173.926 174.900 -0.343 0.000 0.999 628 G CA -0.673 44.331 45.100 -0.160 0.000 0.686 628 G HN 0.398 nan 8.290 nan 0.000 0.515 629 W N -0.019 121.277 121.300 -0.007 0.000 2.975 629 W HA 0.714 5.374 4.660 -0.000 0.000 0.342 629 W C 0.299 176.807 176.519 -0.018 0.000 1.168 629 W CA -0.200 57.140 57.345 -0.008 0.000 1.141 629 W CB 1.324 30.782 29.460 -0.003 0.000 1.445 629 W HN 0.467 nan 8.180 nan 0.000 0.560 630 E N 0.490 120.848 120.200 0.264 0.000 2.402 630 E HA 0.652 5.002 4.350 -0.000 0.000 0.270 630 E C -0.211 176.449 176.600 0.100 0.000 1.131 630 E CA -0.744 55.730 56.400 0.124 0.000 0.884 630 E CB 1.350 31.083 29.700 0.056 0.000 1.564 630 E HN 1.012 nan 8.360 nan 0.000 0.456 631 G N 0.323 109.139 108.800 0.027 0.000 2.619 631 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 631 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 631 G C -0.007 174.840 174.900 -0.089 0.000 1.256 631 G CA -0.087 45.006 45.100 -0.011 0.000 0.826 631 G HN 0.594 nan 8.290 nan 0.000 0.619 632 D N -0.329 119.951 120.400 -0.200 0.000 2.133 632 D HA -0.119 4.521 4.640 -0.000 0.000 0.192 632 D C 1.611 177.581 176.300 -0.550 0.000 1.001 632 D CA 1.991 55.712 54.000 -0.465 0.000 0.844 632 D CB 0.001 40.372 40.800 -0.716 0.000 0.944 632 D HN 0.334 nan 8.370 nan 0.000 0.447 633 F N -0.321 119.619 119.950 -0.017 0.000 2.772 633 F HA 0.219 4.746 4.527 -0.000 0.000 0.302 633 F C 0.601 176.369 175.800 -0.053 0.000 1.136 633 F CA -0.674 57.303 58.000 -0.040 0.000 1.322 633 F CB 0.088 39.064 39.000 -0.040 0.000 0.967 633 F HN -0.079 nan 8.300 nan 0.000 0.513 634 c N 0.240 118.888 118.600 0.080 0.000 4.331 634 c HA -0.252 4.318 4.570 -0.000 0.000 0.293 634 c C 2.399 176.529 174.090 0.067 0.000 1.436 634 c CA 0.420 56.791 56.329 0.071 0.000 1.993 634 c CB -2.649 39.845 42.510 -0.026 0.000 1.266 634 c HN 0.645 nan 8.230 nan 0.000 0.795 635 R N 0.328 120.898 120.500 0.118 0.000 2.119 635 R HA -0.046 4.294 4.340 -0.000 0.000 0.222 635 R C 1.377 177.851 176.300 0.290 0.000 1.088 635 R CA 1.553 57.723 56.100 0.117 0.000 0.984 635 R CB 0.069 30.436 30.300 0.111 0.000 0.884 635 R HN 0.784 nan 8.270 nan 0.000 0.447 636 T N -1.174 113.558 114.554 0.296 0.000 2.837 636 T HA 0.578 4.928 4.350 -0.000 0.000 0.285 636 T C -0.198 174.674 174.700 0.287 0.000 0.984 636 T CA -0.783 61.476 62.100 0.266 0.000 1.049 636 T CB 1.777 70.719 68.868 0.124 0.000 0.947 636 T HN 0.160 nan 8.240 nan 0.000 0.472 637 A N 3.827 126.681 122.820 0.058 0.000 2.286 637 A HA 0.650 4.970 4.320 -0.000 0.000 0.286 637 A C 0.165 177.587 177.584 -0.271 0.000 1.097 637 A CA -0.790 51.001 52.037 -0.410 0.000 0.821 637 A CB 0.538 19.105 19.000 -0.721 0.000 1.076 637 A HN 0.906 nan 8.150 nan 0.000 0.490 638 K N -0.130 120.058 120.400 -0.352 0.000 2.207 638 K HA 0.570 4.890 4.320 -0.000 0.000 0.255 638 K C -1.649 174.830 176.600 -0.201 0.000 0.941 638 K CA -0.363 55.800 56.287 -0.207 0.000 0.825 638 K CB 1.752 34.156 32.500 -0.160 0.000 1.119 638 K HN 0.647 nan 8.250 nan 0.000 0.430 639 c N 2.157 120.678 118.600 -0.133 0.000 2.522 639 c HA 0.271 4.841 4.570 -0.000 0.000 0.344 639 c C -0.680 173.364 174.090 -0.077 0.000 1.104 639 c CA -0.769 55.495 56.329 -0.107 0.000 1.317 639 c CB 0.670 43.123 42.510 -0.096 0.000 1.896 639 c HN 0.766 nan 8.230 nan 0.000 0.443 640 E N 4.324 124.483 120.200 -0.068 0.000 2.141 640 E HA 0.605 4.955 4.350 -0.000 0.000 0.259 640 E C -2.207 174.367 176.600 -0.043 0.000 0.883 640 E CA -1.083 55.287 56.400 -0.051 0.000 0.744 640 E CB 0.914 30.587 29.700 -0.045 0.000 1.150 640 E HN 0.510 nan 8.360 nan 0.000 0.420 641 P HA 0.467 nan 4.420 nan 0.000 0.284 641 P C -0.839 176.433 177.300 -0.047 0.000 1.292 641 P CA -0.781 62.296 63.100 -0.039 0.000 0.800 641 P CB 0.770 32.452 31.700 -0.031 0.000 1.188 642 A N -0.366 122.425 122.820 -0.049 0.000 2.327 642 A HA 0.310 4.630 4.320 -0.000 0.000 0.255 642 A C 0.133 177.681 177.584 -0.060 0.000 1.099 642 A CA -0.238 51.765 52.037 -0.058 0.000 0.801 642 A CB -0.426 18.538 19.000 -0.060 0.000 1.062 642 A HN 0.632 nan 8.150 nan 0.000 0.496 643 c N 0.650 119.211 118.600 -0.066 0.000 2.405 643 c HA 0.680 5.250 4.570 -0.000 0.000 0.365 643 c C 0.742 174.773 174.090 -0.099 0.000 1.233 643 c CA -0.506 55.784 56.329 -0.064 0.000 2.230 643 c CB 0.032 42.509 42.510 -0.055 0.000 2.443 643 c HN 0.856 nan 8.230 nan 0.000 0.556 644 R N 0.403 120.832 120.500 -0.117 0.000 2.888 644 R HA 0.397 4.737 4.340 -0.000 0.000 0.264 644 R C -0.559 175.577 176.300 -0.273 0.000 1.045 644 R CA -0.812 55.134 56.100 -0.256 0.000 0.962 644 R CB 0.568 30.645 30.300 -0.371 0.000 1.210 644 R HN 0.992 nan 8.270 nan 0.000 0.479 645 H N 0.110 119.009 119.070 -0.285 0.000 2.592 645 H HA -0.183 4.373 4.556 -0.000 0.000 0.323 645 H C 0.951 176.032 175.328 -0.412 0.000 1.117 645 H CA 0.846 56.551 56.048 -0.572 0.000 1.120 645 H CB -1.455 27.463 29.762 -1.407 0.000 1.561 645 H HN 1.156 nan 8.280 nan 0.000 0.409 646 G N -1.212 107.492 108.800 -0.160 0.000 2.155 646 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 646 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 646 G C 0.962 175.819 174.900 -0.072 0.000 0.983 646 G CA 0.369 45.410 45.100 -0.099 0.000 0.676 646 G HN 1.071 nan 8.290 nan 0.000 0.528 647 G N -1.530 107.223 108.800 -0.078 0.000 2.661 647 G HA2 0.534 4.494 3.960 -0.000 0.000 0.272 647 G HA3 0.534 4.494 3.960 -0.000 0.000 0.272 647 G C -0.213 174.664 174.900 -0.039 0.000 1.296 647 G CA 0.531 45.605 45.100 -0.043 0.000 0.998 647 G HN 1.262 nan 8.290 nan 0.000 0.553 648 V N -0.950 118.947 119.914 -0.028 0.000 2.697 648 V HA 0.160 4.280 4.120 -0.000 0.000 0.296 648 V C -0.264 175.814 176.094 -0.026 0.000 1.140 648 V CA -1.040 61.246 62.300 -0.023 0.000 0.921 648 V CB 1.310 33.128 31.823 -0.008 0.000 1.036 648 V HN 0.982 nan 8.190 nan 0.000 0.438 649 c N 5.452 124.029 118.600 -0.038 0.000 2.459 649 c HA 0.358 4.928 4.570 -0.000 0.000 0.358 649 c C 1.751 175.808 174.090 -0.055 0.000 1.162 649 c CA 0.318 56.610 56.329 -0.062 0.000 1.559 649 c CB -0.818 41.641 42.510 -0.086 0.000 2.132 649 c HN 0.772 nan 8.230 nan 0.000 0.536 650 V N 6.102 125.991 119.914 -0.043 0.000 2.379 650 V HA 0.130 4.250 4.120 -0.000 0.000 0.243 650 V C 1.324 177.411 176.094 -0.012 0.000 1.035 650 V CA 1.530 63.830 62.300 -0.001 0.000 1.035 650 V CB -0.186 31.647 31.823 0.018 0.000 0.673 650 V HN 0.795 nan 8.190 nan 0.000 0.457 651 R N -0.825 119.617 120.500 -0.097 0.000 2.836 651 R HA 0.409 4.749 4.340 -0.000 0.000 0.269 651 R C -2.840 173.248 176.300 -0.354 0.000 1.010 651 R CA -2.147 53.815 56.100 -0.230 0.000 0.930 651 R CB 1.031 31.333 30.300 0.004 0.000 1.218 651 R HN -0.035 nan 8.270 nan 0.000 0.473 652 P HA -0.068 nan 4.420 nan 0.000 0.258 652 P C -0.807 176.359 177.300 -0.223 0.000 1.172 652 P CA 0.619 63.452 63.100 -0.445 0.000 0.762 652 P CB 0.154 31.582 31.700 -0.452 0.000 0.764 653 N N 0.006 118.598 118.700 -0.179 0.000 2.721 653 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 653 N C -0.275 175.186 175.510 -0.082 0.000 1.072 653 N CA 1.332 54.317 53.050 -0.108 0.000 0.710 653 N CB -1.066 37.371 38.487 -0.082 0.000 0.993 653 N HN 0.333 nan 8.380 nan 0.000 0.547 654 K N 0.199 120.544 120.400 -0.092 0.000 2.578 654 K HA 0.538 4.858 4.320 -0.000 0.000 0.250 654 K C -1.261 175.310 176.600 -0.049 0.000 0.955 654 K CA -0.484 55.769 56.287 -0.056 0.000 0.825 654 K CB 0.798 33.270 32.500 -0.046 0.000 1.151 654 K HN 0.166 nan 8.250 nan 0.000 0.432 655 c N 3.987 122.570 118.600 -0.028 0.000 2.341 655 c HA 0.521 5.091 4.570 -0.000 0.000 0.338 655 c C -0.653 173.435 174.090 -0.003 0.000 1.257 655 c CA -1.071 55.245 56.329 -0.020 0.000 1.883 655 c CB 0.361 42.862 42.510 -0.015 0.000 2.334 655 c HN 0.741 nan 8.230 nan 0.000 0.524 656 L N 3.782 125.005 121.223 -0.001 0.000 2.260 656 L HA 0.466 4.806 4.340 -0.000 0.000 0.289 656 L C -0.242 176.637 176.870 0.016 0.000 1.057 656 L CA -0.057 54.790 54.840 0.011 0.000 0.811 656 L CB -0.174 41.892 42.059 0.011 0.000 1.184 656 L HN 0.825 nan 8.230 nan 0.000 0.429 657 c N 4.670 123.290 118.600 0.033 0.000 2.366 657 c HA 0.543 5.113 4.570 -0.000 0.000 0.345 657 c C 0.657 174.782 174.090 0.058 0.000 1.209 657 c CA -1.122 55.239 56.329 0.054 0.000 2.050 657 c CB 1.197 43.763 42.510 0.092 0.000 2.359 657 c HN 0.705 nan 8.230 nan 0.000 0.527 658 K N 1.173 121.608 120.400 0.059 0.000 2.118 658 K HA 0.177 4.497 4.320 -0.000 0.000 0.240 658 K C 0.025 176.693 176.600 0.113 0.000 1.035 658 K CA -0.305 56.022 56.287 0.066 0.000 0.899 658 K CB 0.366 32.891 32.500 0.043 0.000 1.085 658 K HN 0.618 nan 8.250 nan 0.000 0.498 659 K N 0.090 120.544 120.400 0.090 0.000 2.402 659 K HA 0.081 4.401 4.320 -0.000 0.000 0.285 659 K C 0.590 177.249 176.600 0.099 0.000 1.054 659 K CA 0.964 57.297 56.287 0.078 0.000 1.001 659 K CB -0.283 32.245 32.500 0.046 0.000 0.946 659 K HN 0.743 nan 8.250 nan 0.000 0.473 660 G N 3.195 112.039 108.800 0.073 0.000 2.336 660 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.194 660 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.194 660 G C -0.679 174.127 174.900 -0.157 0.000 0.999 660 G CA -0.401 44.687 45.100 -0.019 0.000 0.669 660 G HN 0.573 nan 8.290 nan 0.000 0.482 661 Y N -0.124 120.148 120.300 -0.047 0.000 2.496 661 Y HA 0.811 5.361 4.550 -0.000 0.000 0.331 661 Y C 0.472 176.372 175.900 -0.000 0.000 1.140 661 Y CA -1.106 56.964 58.100 -0.050 0.000 1.166 661 Y CB 1.666 40.107 38.460 -0.031 0.000 1.249 661 Y HN 0.154 nan 8.280 nan 0.000 0.479 662 L N 0.709 122.011 121.223 0.133 0.000 2.341 662 L HA 0.916 5.256 4.340 -0.000 0.000 0.254 662 L C -0.077 176.845 176.870 0.086 0.000 1.040 662 L CA -0.528 54.359 54.840 0.078 0.000 0.837 662 L CB 2.439 44.515 42.059 0.028 0.000 1.425 662 L HN 0.828 nan 8.230 nan 0.000 0.414 663 G N 0.199 109.033 108.800 0.057 0.000 2.570 663 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.686 663 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.686 663 G C -2.523 172.400 174.900 0.038 0.000 1.257 663 G CA -0.568 44.559 45.100 0.045 0.000 0.846 663 G HN 0.432 nan 8.290 nan 0.000 0.627 664 P HA -0.182 nan 4.420 nan 0.000 0.219 664 P C 1.375 178.681 177.300 0.009 0.000 1.158 664 P CA 2.059 65.165 63.100 0.011 0.000 0.895 664 P CB 0.104 31.807 31.700 0.005 0.000 0.792 665 Q N -3.721 116.089 119.800 0.017 0.000 2.194 665 Q HA 0.251 4.591 4.340 -0.000 0.000 0.214 665 Q C 0.394 176.413 176.000 0.033 0.000 0.838 665 Q CA 0.082 55.890 55.803 0.008 0.000 0.972 665 Q CB -0.471 28.264 28.738 -0.007 0.000 1.131 665 Q HN 0.124 nan 8.270 nan 0.000 0.498 666 c N 1.216 119.860 118.600 0.074 0.000 4.465 666 c HA -0.151 4.419 4.570 -0.000 0.000 0.274 666 c C 1.931 176.179 174.090 0.263 0.000 1.337 666 c CA 0.918 57.340 56.329 0.154 0.000 1.822 666 c CB -1.692 40.891 42.510 0.123 0.000 1.357 666 c HN 0.709 nan 8.230 nan 0.000 0.753 667 E N 0.747 121.049 120.200 0.170 0.000 2.274 667 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 667 E C 0.566 177.306 176.600 0.233 0.000 0.996 667 E CA 1.148 57.659 56.400 0.186 0.000 0.840 667 E CB 0.076 29.827 29.700 0.084 0.000 0.772 667 E HN 0.821 nan 8.360 nan 0.000 0.491 668 Q N 0.615 120.516 119.800 0.168 0.000 2.235 668 Q HA 0.487 4.827 4.340 -0.000 0.000 0.256 668 Q C -0.936 175.073 176.000 0.016 0.000 0.951 668 Q CA -0.622 55.231 55.803 0.084 0.000 0.890 668 Q CB 2.637 31.395 28.738 0.035 0.000 1.279 668 Q HN -0.059 nan 8.270 nan 0.000 0.444 669 V N 1.693 121.536 119.914 -0.118 0.000 2.532 669 V HA 0.153 4.273 4.120 -0.000 0.000 0.295 669 V C -0.118 175.801 176.094 -0.292 0.000 1.041 669 V CA -0.805 61.252 62.300 -0.405 0.000 0.926 669 V CB 1.732 33.249 31.823 -0.510 0.000 0.992 669 V HN 0.771 nan 8.190 nan 0.000 0.457 670 D N 3.936 124.140 120.400 -0.327 0.000 2.425 670 D HA 0.426 5.066 4.640 -0.000 0.000 0.247 670 D C 0.551 176.753 176.300 -0.162 0.000 1.147 670 D CA 1.258 55.146 54.000 -0.187 0.000 0.879 670 D CB 0.764 41.474 40.800 -0.150 0.000 1.179 670 D HN 0.963 nan 8.370 nan 0.000 0.456 671 R N 0.000 120.436 120.500 -0.106 0.000 2.786 671 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 671 R CA 0.000 56.051 56.100 -0.082 0.000 0.921 671 R CB 0.000 30.255 30.300 -0.074 0.000 0.687 671 R HN 0.000 nan 8.270 nan 0.000 0.535