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 2xd5_1_A DATA FIRST_RESID 105 DATA SEQUENCE ISEITYSDGT VIASIXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXDYLYFTTL AEAQERMYDY DATA SEQUENCE LAQRDNVSAK ELKNEATQKF YRDLAAKEIE NGGYKITTTI DQKIHSAMQS DATA SEQUENCE AVADYGYLLD DGTGRVEVGN VLMDNQTGAI LGFVGGRNYQ ENQNNHAFDT DATA SEQUENCE KRSPASTTKP LLAYGIAIDQ GLMGSETILS NYPTNFANGN PIMYANSKGT DATA SEQUENCE GMMTLGEALN YSWNIPAYWT YRMLRENGVD VKGYMEKMGY EIPEYGIESL DATA SEQUENCE PMGGGIEVTV AQHTNGYQTL ANNGVYHQKH VISKIEAADG RVVYEYQDKP DATA SEQUENCE VQVYSKATAT IMQGLLREVL SSRVTTTFKS NLTSLNPTLA NADWIGKTGT DATA SEQUENCE TNQDENMWLM LSTPRLTLGG WIGHDDNHSL SQQAGYSNNS NYMAHLVNAI DATA SEQUENCE QQASPSIWGN ERFALDPSVV KSEVLKSTGQ KPGKVSVEGK EVEVTGSTVT DATA SEQUENCE SYWANKSGAP ATSYRFAIGG SDADYQNAWS SIVGSL 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 105 I HA 0.000 nan 4.170 nan 0.000 0.288 105 I C 0.000 176.116 176.117 -0.001 0.000 1.063 105 I CA 0.000 61.297 61.300 -0.006 0.000 1.566 105 I CB 0.000 37.988 38.000 -0.020 0.000 1.214 106 S N 2.276 117.988 115.700 0.021 0.000 2.480 106 S HA 0.634 5.104 4.470 0.000 0.000 0.286 106 S C -0.473 174.145 174.600 0.030 0.000 1.180 106 S CA -0.261 57.966 58.200 0.045 0.000 1.075 106 S CB 0.993 64.248 63.200 0.092 0.000 0.996 106 S HN 0.475 nan 8.310 nan 0.000 0.487 107 E N 2.490 122.704 120.200 0.023 0.000 2.367 107 E HA 0.663 5.013 4.350 0.000 0.000 0.273 107 E C -1.315 175.269 176.600 -0.028 0.000 0.903 107 E CA -0.871 55.528 56.400 -0.002 0.000 0.764 107 E CB 1.317 31.014 29.700 -0.005 0.000 1.252 107 E HN 0.388 nan 8.360 nan 0.000 0.446 108 I N 1.415 121.946 120.570 -0.064 0.000 2.433 108 I HA 0.465 4.636 4.170 0.000 0.000 0.292 108 I C -0.395 175.630 176.117 -0.154 0.000 1.001 108 I CA -0.732 60.498 61.300 -0.116 0.000 1.119 108 I CB 2.081 39.973 38.000 -0.180 0.000 1.289 108 I HN 0.706 nan 8.210 nan 0.000 0.438 109 T N 1.236 115.699 114.554 -0.151 0.000 2.907 109 T HA 0.565 4.915 4.350 0.000 0.000 0.292 109 T C -0.276 174.309 174.700 -0.193 0.000 1.043 109 T CA -0.669 61.332 62.100 -0.165 0.000 1.003 109 T CB 1.126 69.972 68.868 -0.035 0.000 1.084 109 T HN 0.232 nan 8.240 nan 0.000 0.483 110 Y N 1.459 121.752 120.300 -0.012 0.000 2.452 110 Y HA 0.125 4.676 4.550 0.000 0.000 0.355 110 Y C 2.478 178.373 175.900 -0.008 0.000 1.266 110 Y CA 0.737 58.829 58.100 -0.013 0.000 1.514 110 Y CB 0.161 38.617 38.460 -0.007 0.000 1.363 110 Y HN 0.931 nan 8.280 nan 0.000 0.677 111 S N -0.688 115.121 115.700 0.183 0.000 2.507 111 S HA -0.139 4.331 4.470 0.000 0.000 0.235 111 S C 0.777 175.421 174.600 0.072 0.000 0.988 111 S CA 0.969 59.222 58.200 0.089 0.000 0.944 111 S CB -0.432 62.802 63.200 0.055 0.000 0.762 111 S HN 0.774 nan 8.310 nan 0.000 0.526 112 D N -0.070 120.386 120.400 0.093 0.000 2.427 112 D HA 0.289 4.929 4.640 0.000 0.000 0.224 112 D C 1.377 177.718 176.300 0.070 0.000 1.157 112 D CA 0.315 54.352 54.000 0.062 0.000 0.828 112 D CB -0.413 40.411 40.800 0.040 0.000 0.974 112 D HN 0.439 nan 8.370 nan 0.000 0.498 113 G N 0.404 109.251 108.800 0.077 0.000 2.377 113 G HA2 -0.340 3.620 3.960 0.000 0.000 0.250 113 G HA3 -0.340 3.620 3.960 0.000 0.000 0.250 113 G C 0.653 175.604 174.900 0.084 0.000 1.039 113 G CA 0.640 45.778 45.100 0.063 0.000 0.625 113 G HN 0.507 nan 8.290 nan 0.000 0.526 114 T N 1.269 115.907 114.554 0.140 0.000 2.933 114 T HA 0.335 4.685 4.350 0.000 0.000 0.306 114 T C 0.622 175.435 174.700 0.189 0.000 1.045 114 T CA 0.222 62.437 62.100 0.192 0.000 1.143 114 T CB 2.125 71.142 68.868 0.248 0.000 1.003 114 T HN 0.534 nan 8.240 nan 0.000 0.540 115 V N 4.964 124.944 119.914 0.110 0.000 2.427 115 V HA 0.115 4.235 4.120 0.000 0.000 0.268 115 V C 1.380 177.441 176.094 -0.055 0.000 1.046 115 V CA -0.020 62.285 62.300 0.008 0.000 0.970 115 V CB 0.328 32.158 31.823 0.013 0.000 1.001 115 V HN 0.792 nan 8.190 nan 0.000 0.476 116 I N 4.447 124.863 120.570 -0.257 0.000 2.141 116 I HA 0.164 4.334 4.170 0.000 0.000 0.236 116 I C 1.102 177.166 176.117 -0.088 0.000 1.071 116 I CA 1.644 62.764 61.300 -0.300 0.000 1.345 116 I CB -0.035 37.678 38.000 -0.479 0.000 1.066 116 I HN 0.734 nan 8.210 nan 0.000 0.406 117 A N -1.002 121.791 122.820 -0.045 0.000 2.467 117 A HA 0.573 4.894 4.320 0.000 0.000 0.301 117 A C -0.976 176.631 177.584 0.038 0.000 1.126 117 A CA -0.445 51.605 52.037 0.022 0.000 0.632 117 A CB 0.630 19.675 19.000 0.075 0.000 1.331 117 A HN -0.109 nan 8.150 nan 0.000 0.482 118 S N -0.053 115.676 115.700 0.049 0.000 2.422 118 S HA 0.555 5.025 4.470 0.000 0.000 0.298 118 S C 0.496 175.156 174.600 0.101 0.000 1.118 118 S CA 0.378 58.605 58.200 0.046 0.000 1.083 118 S CB -0.104 63.104 63.200 0.013 0.000 0.971 118 S HN 1.616 nan 8.310 nan 0.000 0.478 338 Y N 1.659 121.872 120.300 -0.145 0.000 2.144 338 Y HA -0.240 4.310 4.550 -0.000 0.000 0.277 338 Y C 2.374 178.473 175.900 0.331 0.000 1.229 338 Y CA 1.745 59.983 58.100 0.230 0.000 1.144 338 Y CB -0.624 38.048 38.460 0.352 0.000 0.953 338 Y HN 0.179 nan 8.280 nan 0.000 0.515 339 L N -0.954 120.499 121.223 0.383 0.000 2.017 339 L HA -0.231 4.109 4.340 0.000 0.000 0.208 339 L C 2.243 179.185 176.870 0.120 0.000 1.073 339 L CA 1.851 56.836 54.840 0.242 0.000 0.745 339 L CB -1.317 40.785 42.059 0.072 0.000 0.894 339 L HN 0.332 nan 8.230 nan 0.000 0.432 340 Y N -0.592 119.677 120.300 -0.052 0.000 2.070 340 Y HA -0.319 4.231 4.550 -0.000 0.000 0.280 340 Y C 2.242 177.970 175.900 -0.285 0.000 1.148 340 Y CA 2.272 60.225 58.100 -0.245 0.000 1.125 340 Y CB -0.645 37.577 38.460 -0.396 0.000 0.975 340 Y HN 0.204 nan 8.280 nan 0.000 0.492 341 F N -0.206 119.770 119.950 0.043 0.000 2.134 341 F HA -0.199 4.328 4.527 0.000 0.000 0.299 341 F C 2.519 178.255 175.800 -0.106 0.000 1.097 341 F CA 1.897 59.885 58.000 -0.020 0.000 1.264 341 F CB -1.155 37.926 39.000 0.135 0.000 1.001 341 F HN -0.017 nan 8.300 nan 0.000 0.479 342 T N -0.773 113.849 114.554 0.113 0.000 2.708 342 T HA -0.196 4.154 4.350 0.000 0.000 0.266 342 T C 2.180 176.702 174.700 -0.298 0.000 1.037 342 T CA 2.212 64.212 62.100 -0.167 0.000 1.146 342 T CB -0.680 68.009 68.868 -0.298 0.000 0.865 342 T HN 0.448 nan 8.240 nan 0.000 0.435 343 T N 1.133 115.535 114.554 -0.254 0.000 2.812 343 T HA 0.019 4.370 4.350 0.000 0.000 0.264 343 T C 1.972 176.490 174.700 -0.304 0.000 1.042 343 T CA 0.728 62.661 62.100 -0.277 0.000 1.140 343 T CB -0.745 67.983 68.868 -0.234 0.000 0.870 343 T HN 0.132 nan 8.240 nan 0.000 0.445 344 L N 2.384 123.352 121.223 -0.425 0.000 1.997 344 L HA -0.037 4.303 4.340 0.000 0.000 0.216 344 L C 2.875 179.600 176.870 -0.242 0.000 1.074 344 L CA 2.174 56.770 54.840 -0.406 0.000 0.763 344 L CB -1.385 40.303 42.059 -0.618 0.000 0.890 344 L HN 0.389 nan 8.230 nan 0.000 0.434 345 A N -1.139 121.568 122.820 -0.188 0.000 1.877 345 A HA -0.279 4.041 4.320 0.000 0.000 0.216 345 A C 2.343 179.831 177.584 -0.160 0.000 1.186 345 A CA 1.868 53.828 52.037 -0.128 0.000 0.620 345 A CB -0.789 18.163 19.000 -0.080 0.000 0.822 345 A HN 0.656 nan 8.150 nan 0.000 0.443 346 E N -0.176 119.902 120.200 -0.204 0.000 2.051 346 E HA -0.121 4.229 4.350 0.000 0.000 0.192 346 E C 2.196 178.689 176.600 -0.179 0.000 0.991 346 E CA 1.004 57.291 56.400 -0.187 0.000 0.799 346 E CB -0.288 29.298 29.700 -0.191 0.000 0.748 346 E HN 0.512 nan 8.360 nan 0.000 0.449 347 A N 1.091 123.803 122.820 -0.181 0.000 1.903 347 A HA -0.312 4.008 4.320 0.000 0.000 0.219 347 A C 2.090 179.577 177.584 -0.161 0.000 1.191 347 A CA 2.045 53.977 52.037 -0.175 0.000 0.638 347 A CB -0.729 18.167 19.000 -0.173 0.000 0.823 347 A HN 0.398 nan 8.150 nan 0.000 0.451 348 Q N -0.731 118.987 119.800 -0.138 0.000 2.124 348 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 348 Q C 1.939 177.902 176.000 -0.062 0.000 0.977 348 Q CA 1.429 57.179 55.803 -0.088 0.000 0.850 348 Q CB -0.211 28.483 28.738 -0.073 0.000 0.901 348 Q HN 0.741 nan 8.270 nan 0.000 0.429 349 E N 0.467 120.601 120.200 -0.109 0.000 2.152 349 E HA -0.115 4.235 4.350 0.000 0.000 0.192 349 E C 1.955 178.508 176.600 -0.077 0.000 0.983 349 E CA 0.548 56.879 56.400 -0.115 0.000 0.818 349 E CB -0.084 29.525 29.700 -0.152 0.000 0.758 349 E HN 0.249 nan 8.360 nan 0.000 0.467 350 R N 0.458 120.857 120.500 -0.169 0.000 2.075 350 R HA 0.004 4.344 4.340 0.000 0.000 0.232 350 R C 2.259 178.507 176.300 -0.087 0.000 1.126 350 R CA 0.846 56.783 56.100 -0.272 0.000 0.963 350 R CB -0.659 29.284 30.300 -0.595 0.000 0.858 350 R HN 0.199 nan 8.270 nan 0.000 0.435 351 M N -0.078 119.490 119.600 -0.054 0.000 2.086 351 M HA -0.196 4.284 4.480 0.000 0.000 0.261 351 M C 2.044 178.444 176.300 0.167 0.000 1.067 351 M CA 1.552 56.873 55.300 0.035 0.000 1.116 351 M CB -0.703 31.854 32.600 -0.072 0.000 1.348 351 M HN 0.161 nan 8.290 nan 0.000 0.407 352 Y N 0.678 120.980 120.300 0.004 0.000 2.114 352 Y HA -0.339 4.211 4.550 0.000 0.000 0.282 352 Y C 1.818 177.714 175.900 -0.007 0.000 1.165 352 Y CA 2.317 60.433 58.100 0.026 0.000 1.148 352 Y CB -0.390 38.074 38.460 0.007 0.000 0.972 352 Y HN 0.320 nan 8.280 nan 0.000 0.504 353 D N -0.917 119.633 120.400 0.250 0.000 2.144 353 D HA -0.232 4.408 4.640 0.000 0.000 0.199 353 D C 1.830 178.156 176.300 0.043 0.000 0.984 353 D CA 1.723 55.801 54.000 0.130 0.000 0.834 353 D CB -0.652 40.214 40.800 0.110 0.000 0.955 353 D HN 0.590 nan 8.370 nan 0.000 0.465 354 Y N 1.445 121.738 120.300 -0.012 0.000 2.153 354 Y HA -0.108 4.442 4.550 0.000 0.000 0.289 354 Y C 2.271 178.159 175.900 -0.020 0.000 1.127 354 Y CA 1.149 59.249 58.100 -0.001 0.000 1.131 354 Y CB -0.444 38.027 38.460 0.018 0.000 0.995 354 Y HN -0.155 nan 8.280 nan 0.000 0.505 355 L N 0.574 121.626 121.223 -0.286 0.000 2.021 355 L HA -0.331 4.009 4.340 0.000 0.000 0.215 355 L C 2.866 179.551 176.870 -0.309 0.000 1.074 355 L CA 1.541 56.237 54.840 -0.240 0.000 0.760 355 L CB -1.228 40.881 42.059 0.084 0.000 0.889 355 L HN 0.445 nan 8.230 nan 0.000 0.433 356 A N -0.988 121.548 122.820 -0.473 0.000 1.877 356 A HA -0.260 4.060 4.320 0.000 0.000 0.216 356 A C 2.280 179.644 177.584 -0.366 0.000 1.186 356 A CA 1.734 53.384 52.037 -0.644 0.000 0.620 356 A CB -0.563 18.017 19.000 -0.701 0.000 0.822 356 A HN 0.473 nan 8.150 nan 0.000 0.443 357 Q N -0.917 118.726 119.800 -0.261 0.000 2.079 357 Q HA -0.180 4.160 4.340 0.000 0.000 0.200 357 Q C 2.421 178.308 176.000 -0.188 0.000 0.974 357 Q CA 1.335 57.033 55.803 -0.175 0.000 0.840 357 Q CB -0.175 28.509 28.738 -0.091 0.000 0.898 357 Q HN 0.680 nan 8.270 nan 0.000 0.430 358 R N 0.594 120.915 120.500 -0.298 0.000 2.094 358 R HA -0.167 4.173 4.340 0.000 0.000 0.239 358 R C 0.507 176.722 176.300 -0.143 0.000 1.137 358 R CA 1.939 57.875 56.100 -0.274 0.000 0.943 358 R CB -0.052 29.949 30.300 -0.497 0.000 0.850 358 R HN 0.211 nan 8.270 nan 0.000 0.433 359 D N 0.405 120.733 120.400 -0.121 0.000 2.325 359 D HA -0.037 4.603 4.640 0.000 0.000 0.234 359 D C 0.057 176.319 176.300 -0.062 0.000 1.122 359 D CA 0.175 54.154 54.000 -0.035 0.000 0.850 359 D CB -0.559 40.295 40.800 0.090 0.000 0.921 359 D HN 0.270 nan 8.370 nan 0.000 0.513 360 N N 0.137 118.777 118.700 -0.099 0.000 2.716 360 N HA -0.220 4.520 4.740 0.000 0.000 0.250 360 N C 0.712 176.168 175.510 -0.090 0.000 1.033 360 N CA 0.264 53.263 53.050 -0.085 0.000 0.727 360 N CB -1.194 37.263 38.487 -0.051 0.000 0.950 360 N HN 0.017 nan 8.380 nan 0.000 0.541 361 V N -0.271 119.554 119.914 -0.147 0.000 2.261 361 V HA -0.048 4.073 4.120 0.000 0.000 0.246 361 V C 1.537 177.566 176.094 -0.107 0.000 1.047 361 V CA 2.017 64.230 62.300 -0.146 0.000 1.015 361 V CB -1.606 30.039 31.823 -0.297 0.000 0.642 361 V HN 1.152 nan 8.190 nan 0.000 0.446 362 S N -1.339 114.291 115.700 -0.117 0.000 3.098 362 S HA 0.294 4.764 4.470 0.000 0.000 0.805 362 S C 0.718 175.290 174.600 -0.045 0.000 0.883 362 S CA 0.652 58.810 58.200 -0.070 0.000 1.384 362 S CB -1.348 nan 63.200 nan 0.000 1.040 362 S HN 2.247 nan 8.310 nan 0.000 0.525 363 A N 2.399 125.199 122.820 -0.032 0.000 4.963 363 A HA -0.073 4.247 4.320 0.000 0.000 0.278 363 A C 1.605 179.188 177.584 -0.002 0.000 2.182 363 A CA 2.327 54.357 52.037 -0.012 0.000 0.716 363 A CB -1.886 17.108 19.000 -0.011 0.000 1.135 363 A HN 2.612 nan 8.150 nan 0.000 0.334 364 K N 0.906 121.305 120.400 -0.001 0.000 2.217 364 K HA 0.121 4.441 4.320 0.000 0.000 0.202 364 K C 1.584 178.189 176.600 0.009 0.000 1.051 364 K CA 2.189 58.480 56.287 0.007 0.000 0.952 364 K CB -0.285 32.218 32.500 0.005 0.000 0.736 364 K HN 0.701 nan 8.250 nan 0.000 0.453 365 E N 0.703 120.903 120.200 0.000 0.000 2.106 365 E HA -0.051 4.299 4.350 0.000 0.000 0.192 365 E C 1.788 178.395 176.600 0.012 0.000 0.984 365 E CA 0.811 57.213 56.400 0.003 0.000 0.806 365 E CB -0.073 29.619 29.700 -0.013 0.000 0.750 365 E HN 0.351 nan 8.360 nan 0.000 0.458 366 L N 0.706 121.928 121.223 -0.002 0.000 2.265 366 L HA -0.196 4.144 4.340 0.000 0.000 0.215 366 L C 2.056 178.966 176.870 0.066 0.000 1.117 366 L CA 1.142 55.993 54.840 0.018 0.000 0.782 366 L CB -0.123 41.938 42.059 0.003 0.000 0.914 366 L HN 0.109 nan 8.230 nan 0.000 0.441 367 K N -0.563 119.867 120.400 0.049 0.000 2.296 367 K HA -0.096 4.224 4.320 0.000 0.000 0.200 367 K C 0.776 177.411 176.600 0.059 0.000 1.048 367 K CA 0.063 56.382 56.287 0.053 0.000 0.966 367 K CB -0.413 32.108 32.500 0.036 0.000 0.754 367 K HN 0.238 nan 8.250 nan 0.000 0.466 368 N N 2.644 121.379 118.700 0.057 0.000 2.411 368 N HA -0.110 4.630 4.740 0.000 0.000 0.261 368 N C 0.975 176.536 175.510 0.084 0.000 1.248 368 N CA -0.024 53.062 53.050 0.060 0.000 0.885 368 N CB 0.656 39.175 38.487 0.052 0.000 1.062 368 N HN 0.215 nan 8.380 nan 0.000 0.471 369 E N 3.038 123.283 120.200 0.074 0.000 2.230 369 E HA -0.089 4.261 4.350 0.000 0.000 0.192 369 E C 1.450 178.114 176.600 0.107 0.000 0.987 369 E CA 0.688 57.142 56.400 0.090 0.000 0.841 369 E CB -0.107 29.634 29.700 0.068 0.000 0.783 369 E HN 0.621 nan 8.360 nan 0.000 0.481 370 A N 1.999 124.873 122.820 0.090 0.000 1.933 370 A HA -0.199 4.121 4.320 0.000 0.000 0.218 370 A C 2.534 180.207 177.584 0.149 0.000 1.175 370 A CA 2.279 54.373 52.037 0.096 0.000 0.628 370 A CB -1.126 17.909 19.000 0.057 0.000 0.814 370 A HN 0.462 nan 8.150 nan 0.000 0.444 371 T N -2.299 112.349 114.554 0.155 0.000 2.896 371 T HA -0.163 4.187 4.350 0.000 0.000 0.263 371 T C 1.978 176.896 174.700 0.363 0.000 1.050 371 T CA 1.565 63.813 62.100 0.246 0.000 1.140 371 T CB -0.371 68.615 68.868 0.196 0.000 0.877 371 T HN 0.522 nan 8.240 nan 0.000 0.457 372 Q N 0.620 120.592 119.800 0.286 0.000 2.096 372 Q HA -0.210 4.130 4.340 0.000 0.000 0.208 372 Q C 2.391 178.600 176.000 0.349 0.000 0.993 372 Q CA 2.152 58.168 55.803 0.356 0.000 0.862 372 Q CB -0.193 28.688 28.738 0.238 0.000 0.915 372 Q HN 0.611 nan 8.270 nan 0.000 0.416 373 K N -0.478 120.066 120.400 0.239 0.000 2.057 373 K HA -0.181 4.139 4.320 0.000 0.000 0.206 373 K C 1.920 178.627 176.600 0.177 0.000 1.050 373 K CA 1.277 57.672 56.287 0.180 0.000 0.935 373 K CB -0.260 32.321 32.500 0.135 0.000 0.715 373 K HN 0.200 nan 8.250 nan 0.000 0.439 374 F N 0.560 120.544 119.950 0.057 0.000 2.134 374 F HA -0.224 4.303 4.527 0.000 0.000 0.299 374 F C 1.613 177.333 175.800 -0.134 0.000 1.097 374 F CA 1.522 59.480 58.000 -0.070 0.000 1.264 374 F CB -0.304 38.610 39.000 -0.144 0.000 1.001 374 F HN 0.048 nan 8.300 nan 0.000 0.479 375 Y N 0.246 120.582 120.300 0.060 0.000 2.263 375 Y HA -0.103 4.447 4.550 0.000 0.000 0.292 375 Y C 2.598 178.537 175.900 0.065 0.000 1.130 375 Y CA 1.518 59.570 58.100 -0.081 0.000 1.179 375 Y CB -0.436 37.854 38.460 -0.283 0.000 0.998 375 Y HN -0.085 nan 8.280 nan 0.000 0.532 376 R N -0.059 120.665 120.500 0.375 0.000 2.083 376 R HA -0.223 4.117 4.340 0.000 0.000 0.237 376 R C 1.813 178.150 176.300 0.062 0.000 1.137 376 R CA 1.999 58.247 56.100 0.248 0.000 0.951 376 R CB -0.492 29.897 30.300 0.148 0.000 0.851 376 R HN 0.351 nan 8.270 nan 0.000 0.434 377 D N 0.089 120.468 120.400 -0.035 0.000 2.144 377 D HA -0.153 4.487 4.640 0.000 0.000 0.200 377 D C 1.743 177.935 176.300 -0.179 0.000 0.978 377 D CA 0.626 54.562 54.000 -0.106 0.000 0.833 377 D CB 0.100 40.822 40.800 -0.129 0.000 0.961 377 D HN 0.021 nan 8.370 nan 0.000 0.470 378 L N 0.491 121.522 121.223 -0.321 0.000 2.027 378 L HA 0.049 4.389 4.340 0.000 0.000 0.206 378 L C 2.275 179.086 176.870 -0.099 0.000 1.074 378 L CA 1.957 56.613 54.840 -0.307 0.000 0.745 378 L CB -1.088 40.654 42.059 -0.529 0.000 0.898 378 L HN 0.111 nan 8.230 nan 0.000 0.433 379 A N -0.366 122.447 122.820 -0.011 0.000 1.884 379 A HA -0.289 4.031 4.320 0.000 0.000 0.219 379 A C 2.455 180.035 177.584 -0.008 0.000 1.197 379 A CA 2.610 54.669 52.037 0.036 0.000 0.637 379 A CB -1.399 17.677 19.000 0.127 0.000 0.827 379 A HN 0.596 nan 8.150 nan 0.000 0.450 380 A N -0.616 122.199 122.820 -0.009 0.000 1.858 380 A HA -0.194 4.126 4.320 0.000 0.000 0.216 380 A C 2.130 179.708 177.584 -0.010 0.000 1.190 380 A CA 1.998 54.027 52.037 -0.013 0.000 0.617 380 A CB -0.548 18.450 19.000 -0.003 0.000 0.827 380 A HN 0.554 nan 8.150 nan 0.000 0.443 381 K N -0.615 119.774 120.400 -0.019 0.000 2.063 381 K HA -0.167 4.153 4.320 0.000 0.000 0.208 381 K C 2.057 178.677 176.600 0.034 0.000 1.048 381 K CA 1.392 57.677 56.287 -0.004 0.000 0.928 381 K CB -0.139 32.343 32.500 -0.029 0.000 0.713 381 K HN 0.379 nan 8.250 nan 0.000 0.442 382 E N 0.872 121.096 120.200 0.040 0.000 2.070 382 E HA -0.215 4.135 4.350 0.000 0.000 0.197 382 E C 2.002 178.703 176.600 0.169 0.000 1.004 382 E CA 1.329 57.803 56.400 0.124 0.000 0.805 382 E CB -0.262 29.474 29.700 0.060 0.000 0.744 382 E HN 0.353 nan 8.360 nan 0.000 0.451 383 I N 0.893 121.487 120.570 0.039 0.000 2.226 383 I HA -0.274 3.897 4.170 0.000 0.000 0.245 383 I C 2.062 178.242 176.117 0.105 0.000 1.100 383 I CA 1.394 62.727 61.300 0.054 0.000 1.374 383 I CB -0.269 37.697 38.000 -0.055 0.000 1.057 383 I HN 0.097 nan 8.210 nan 0.000 0.413 384 E N 0.441 120.680 120.200 0.065 0.000 2.274 384 E HA -0.127 4.223 4.350 0.000 0.000 0.194 384 E C 1.617 178.256 176.600 0.066 0.000 0.996 384 E CA 0.787 57.222 56.400 0.059 0.000 0.840 384 E CB -0.090 29.634 29.700 0.040 0.000 0.772 384 E HN 0.463 nan 8.360 nan 0.000 0.491 385 N N 0.639 119.391 118.700 0.086 0.000 2.333 385 N HA 0.019 4.759 4.740 0.000 0.000 0.183 385 N C 1.098 176.639 175.510 0.051 0.000 1.030 385 N CA 0.967 54.055 53.050 0.064 0.000 0.867 385 N CB -0.761 37.759 38.487 0.054 0.000 1.027 385 N HN 0.150 nan 8.380 nan 0.000 0.435 386 G N -0.831 108.031 108.800 0.102 0.000 2.846 386 G HA2 0.305 4.265 3.960 0.000 0.000 0.257 386 G HA3 0.305 4.265 3.960 0.000 0.000 0.257 386 G C 0.223 175.043 174.900 -0.133 0.000 1.253 386 G CA 0.235 45.273 45.100 -0.103 0.000 0.918 386 G HN 0.320 nan 8.290 nan 0.000 0.597 387 G N -0.647 107.951 108.800 -0.336 0.000 4.160 387 G HA2 0.486 4.446 3.960 0.000 0.000 0.341 387 G HA3 0.486 4.446 3.960 0.000 0.000 0.341 387 G C -0.903 173.866 174.900 -0.219 0.000 1.510 387 G CA -0.441 44.557 45.100 -0.169 0.000 1.011 387 G HN 0.378 nan 8.290 nan 0.000 0.491 388 Y N 0.854 121.141 120.300 -0.022 0.000 2.308 388 Y HA 0.368 4.918 4.550 0.000 0.000 0.329 388 Y C 0.830 176.711 175.900 -0.031 0.000 1.111 388 Y CA -0.437 57.645 58.100 -0.030 0.000 1.179 388 Y CB 1.725 40.164 38.460 -0.036 0.000 1.201 388 Y HN 0.178 nan 8.280 nan 0.000 0.483 389 K N 4.942 125.412 120.400 0.117 0.000 2.253 389 K HA 0.438 4.758 4.320 0.000 0.000 0.277 389 K C -1.358 175.280 176.600 0.064 0.000 1.053 389 K CA -0.301 56.022 56.287 0.060 0.000 0.892 389 K CB 0.235 32.753 32.500 0.030 0.000 1.102 389 K HN 0.714 nan 8.250 nan 0.000 0.469 390 I N 4.168 124.756 120.570 0.030 0.000 2.330 390 I HA 0.060 4.230 4.170 0.000 0.000 0.286 390 I C 0.313 176.426 176.117 -0.008 0.000 1.025 390 I CA -0.528 60.777 61.300 0.008 0.000 1.197 390 I CB 1.714 39.692 38.000 -0.037 0.000 1.358 390 I HN 0.549 nan 8.210 nan 0.000 0.467 391 T N 2.555 117.120 114.554 0.017 0.000 2.767 391 T HA 0.527 4.877 4.350 0.000 0.000 0.284 391 T C 0.165 174.878 174.700 0.022 0.000 0.973 391 T CA -0.563 61.545 62.100 0.013 0.000 0.996 391 T CB 1.197 70.081 68.868 0.027 0.000 0.927 391 T HN 0.624 nan 8.240 nan 0.000 0.456 392 T N 0.390 114.942 114.554 -0.004 0.000 2.897 392 T HA 0.396 4.746 4.350 0.000 0.000 0.278 392 T C 1.563 176.278 174.700 0.026 0.000 0.981 392 T CA -0.018 62.083 62.100 0.001 0.000 0.973 392 T CB 0.901 69.740 68.868 -0.048 0.000 1.092 392 T HN 0.773 nan 8.240 nan 0.000 0.543 393 T N -0.910 113.650 114.554 0.010 0.000 3.113 393 T HA 0.188 4.538 4.350 0.000 0.000 0.256 393 T C 0.921 175.637 174.700 0.026 0.000 1.131 393 T CA -0.319 61.772 62.100 -0.015 0.000 1.074 393 T CB -0.452 68.329 68.868 -0.145 0.000 0.944 393 T HN 0.517 nan 8.240 nan 0.000 0.516 394 I N 3.228 123.845 120.570 0.078 0.000 2.618 394 I HA 0.181 4.351 4.170 0.000 0.000 0.284 394 I C 0.423 176.653 176.117 0.188 0.000 1.146 394 I CA -0.755 60.633 61.300 0.148 0.000 1.425 394 I CB -0.037 38.063 38.000 0.167 0.000 1.383 394 I HN 0.296 nan 8.210 nan 0.000 0.562 395 D N 6.595 127.059 120.400 0.107 0.000 2.313 395 D HA 0.034 4.674 4.640 0.000 0.000 0.239 395 D C 0.815 177.079 176.300 -0.059 0.000 1.142 395 D CA -0.298 53.709 54.000 0.012 0.000 0.847 395 D CB 1.308 42.101 40.800 -0.011 0.000 1.082 395 D HN 0.539 nan 8.370 nan 0.000 0.480 396 Q N 3.975 123.566 119.800 -0.348 0.000 2.061 396 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 396 Q C 1.325 177.172 176.000 -0.253 0.000 0.984 396 Q CA 1.149 56.530 55.803 -0.703 0.000 0.846 396 Q CB 0.319 28.231 28.738 -1.376 0.000 0.902 396 Q HN 0.447 nan 8.270 nan 0.000 0.421 397 K N 0.289 120.580 120.400 -0.181 0.000 2.031 397 K HA -0.060 4.260 4.320 0.000 0.000 0.205 397 K C 2.239 178.819 176.600 -0.034 0.000 1.049 397 K CA 0.787 57.019 56.287 -0.092 0.000 0.939 397 K CB -0.219 32.233 32.500 -0.081 0.000 0.717 397 K HN 0.271 nan 8.250 nan 0.000 0.438 398 I N 0.420 120.975 120.570 -0.025 0.000 2.118 398 I HA -0.358 3.812 4.170 0.000 0.000 0.241 398 I C 2.689 178.824 176.117 0.031 0.000 1.070 398 I CA 1.435 62.733 61.300 -0.003 0.000 1.327 398 I CB -0.481 37.505 38.000 -0.023 0.000 1.034 398 I HN 0.357 nan 8.210 nan 0.000 0.405 399 H N 1.066 120.126 119.070 -0.017 0.000 2.319 399 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 399 H C 2.383 177.706 175.328 -0.007 0.000 1.092 399 H CA 2.150 58.197 56.048 -0.002 0.000 1.302 399 H CB 0.196 29.983 29.762 0.042 0.000 1.373 399 H HN 0.310 nan 8.280 nan 0.000 0.497 400 S N 0.892 116.608 115.700 0.026 0.000 2.382 400 S HA -0.095 4.375 4.470 0.000 0.000 0.228 400 S C 2.496 177.080 174.600 -0.027 0.000 1.027 400 S CA 0.819 59.015 58.200 -0.006 0.000 0.991 400 S CB -0.462 62.755 63.200 0.028 0.000 0.823 400 S HN 0.575 nan 8.310 nan 0.000 0.469 401 A N 2.269 125.082 122.820 -0.010 0.000 1.883 401 A HA -0.085 4.235 4.320 0.000 0.000 0.217 401 A C 2.242 179.834 177.584 0.013 0.000 1.186 401 A CA 1.770 53.817 52.037 0.017 0.000 0.624 401 A CB -0.799 18.221 19.000 0.034 0.000 0.822 401 A HN 0.490 nan 8.150 nan 0.000 0.444 402 M N -0.867 118.711 119.600 -0.037 0.000 2.202 402 M HA -0.207 4.273 4.480 0.000 0.000 0.262 402 M C 2.315 178.579 176.300 -0.060 0.000 1.063 402 M CA 1.301 56.572 55.300 -0.049 0.000 1.097 402 M CB -0.337 32.201 32.600 -0.104 0.000 1.382 402 M HN 0.379 nan 8.290 nan 0.000 0.413 403 Q N -0.340 119.386 119.800 -0.124 0.000 2.049 403 Q HA -0.035 4.305 4.340 0.000 0.000 0.198 403 Q C 2.263 178.273 176.000 0.017 0.000 0.971 403 Q CA 1.408 57.172 55.803 -0.065 0.000 0.833 403 Q CB -0.729 27.966 28.738 -0.073 0.000 0.896 403 Q HN 0.416 nan 8.270 nan 0.000 0.434 404 S N 1.315 117.025 115.700 0.016 0.000 2.370 404 S HA -0.172 4.298 4.470 0.000 0.000 0.226 404 S C 1.983 176.611 174.600 0.047 0.000 1.033 404 S CA 1.225 59.441 58.200 0.026 0.000 1.011 404 S CB -0.288 62.929 63.200 0.028 0.000 0.852 404 S HN 0.527 nan 8.310 nan 0.000 0.457 405 A N 0.468 123.350 122.820 0.103 0.000 1.883 405 A HA -0.077 4.244 4.320 0.000 0.000 0.217 405 A C 2.323 180.052 177.584 0.241 0.000 1.186 405 A CA 1.737 53.903 52.037 0.214 0.000 0.624 405 A CB -0.986 18.136 19.000 0.204 0.000 0.822 405 A HN 0.389 nan 8.150 nan 0.000 0.444 406 V N -0.518 119.525 119.914 0.215 0.000 2.667 406 V HA -0.027 4.093 4.120 0.000 0.000 0.252 406 V C 2.668 178.855 176.094 0.155 0.000 1.065 406 V CA 1.841 64.302 62.300 0.269 0.000 1.083 406 V CB -0.496 31.468 31.823 0.234 0.000 0.692 406 V HN 0.595 nan 8.190 nan 0.000 0.468 407 A N -0.348 122.525 122.820 0.088 0.000 1.897 407 A HA -0.161 4.159 4.320 0.000 0.000 0.215 407 A C 1.906 179.483 177.584 -0.011 0.000 1.181 407 A CA 1.832 53.895 52.037 0.043 0.000 0.620 407 A CB -0.514 18.500 19.000 0.023 0.000 0.821 407 A HN 0.593 nan 8.150 nan 0.000 0.443 408 D N -1.756 118.573 120.400 -0.118 0.000 2.162 408 D HA -0.035 4.605 4.640 0.000 0.000 0.203 408 D C 0.947 177.029 176.300 -0.363 0.000 0.967 408 D CA 1.243 55.012 54.000 -0.385 0.000 0.840 408 D CB -0.179 40.145 40.800 -0.793 0.000 0.972 408 D HN 0.606 nan 8.370 nan 0.000 0.482 409 Y N -0.265 120.131 120.300 0.159 0.000 2.453 409 Y HA 0.338 4.888 4.550 -0.000 0.000 0.247 409 Y C 2.275 178.169 175.900 -0.009 0.000 1.124 409 Y CA -0.274 57.836 58.100 0.017 0.000 1.243 409 Y CB -0.070 38.304 38.460 -0.144 0.000 1.213 409 Y HN -0.094 nan 8.280 nan 0.000 0.523 410 G N 0.773 109.690 108.800 0.195 0.000 2.469 410 G HA2 -0.388 3.572 3.960 0.000 0.000 0.220 410 G HA3 -0.388 3.572 3.960 0.000 0.000 0.220 410 G C 1.496 176.365 174.900 -0.052 0.000 1.136 410 G CA 1.564 46.659 45.100 -0.008 0.000 0.759 410 G HN 0.641 nan 8.290 nan 0.000 0.562 411 Y N 0.413 120.697 120.300 -0.027 0.000 2.465 411 Y HA 0.125 4.675 4.550 -0.000 0.000 0.289 411 Y C 2.104 177.984 175.900 -0.034 0.000 1.150 411 Y CA 0.415 58.493 58.100 -0.037 0.000 1.293 411 Y CB -0.486 37.958 38.460 -0.027 0.000 0.977 411 Y HN 0.139 nan 8.280 nan 0.000 0.556 412 L N 0.092 120.886 121.223 -0.715 0.000 2.362 412 L HA -0.118 4.222 4.340 0.000 0.000 0.219 412 L C 1.930 178.643 176.870 -0.262 0.000 1.134 412 L CA 0.811 55.326 54.840 -0.542 0.000 0.807 412 L CB -0.319 41.474 42.059 -0.443 0.000 0.927 412 L HN 0.375 nan 8.230 nan 0.000 0.447 413 L N -1.567 119.504 121.223 -0.254 0.000 2.446 413 L HA 0.061 4.401 4.340 0.000 0.000 0.219 413 L C 0.480 177.238 176.870 -0.187 0.000 1.116 413 L CA -0.025 54.663 54.840 -0.255 0.000 0.844 413 L CB -0.119 41.708 42.059 -0.388 0.000 0.970 413 L HN 0.132 nan 8.230 nan 0.000 0.457 414 D N 1.120 121.452 120.400 -0.114 0.000 2.399 414 D HA 0.050 4.690 4.640 0.000 0.000 0.241 414 D C 0.107 176.382 176.300 -0.041 0.000 1.133 414 D CA 0.444 54.410 54.000 -0.055 0.000 0.890 414 D CB 1.363 42.169 40.800 0.010 0.000 1.201 414 D HN 0.216 nan 8.370 nan 0.000 0.432 415 D N -0.766 119.621 120.400 -0.021 0.000 2.563 415 D HA 0.161 4.801 4.640 0.000 0.000 0.256 415 D C 0.987 177.294 176.300 0.011 0.000 1.400 415 D CA -0.221 53.769 54.000 -0.017 0.000 0.800 415 D CB 0.020 40.791 40.800 -0.048 0.000 1.145 415 D HN 0.576 nan 8.370 nan 0.000 0.501 416 G N 0.574 109.392 108.800 0.030 0.000 2.130 416 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 416 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 416 G C 0.700 175.630 174.900 0.049 0.000 0.999 416 G CA 0.544 45.663 45.100 0.032 0.000 0.686 416 G HN 0.826 nan 8.290 nan 0.000 0.515 417 T N -2.460 112.148 114.554 0.090 0.000 3.200 417 T HA 0.633 4.983 4.350 0.000 0.000 0.284 417 T C 1.404 176.199 174.700 0.158 0.000 1.009 417 T CA 1.058 63.241 62.100 0.139 0.000 0.907 417 T CB 1.063 70.053 68.868 0.204 0.000 1.120 417 T HN 2.335 nan 8.240 nan 0.000 0.534 418 G N 1.830 110.704 108.800 0.125 0.000 2.566 418 G HA2 -0.045 3.915 3.960 0.000 0.000 0.599 418 G HA3 -0.045 3.915 3.960 0.000 0.000 0.599 418 G C -0.754 174.266 174.900 0.200 0.000 1.292 418 G CA -0.801 44.367 45.100 0.113 0.000 0.922 418 G HN 0.644 nan 8.290 nan 0.000 0.514 419 R N -0.310 120.288 120.500 0.164 0.000 2.296 419 R HA 0.501 4.841 4.340 0.000 0.000 0.323 419 R C 0.152 176.524 176.300 0.119 0.000 1.067 419 R CA -0.264 55.904 56.100 0.114 0.000 0.946 419 R CB 0.490 30.836 30.300 0.076 0.000 0.991 419 R HN 0.616 nan 8.270 nan 0.000 0.448 420 V N 5.474 125.345 119.914 -0.071 0.000 2.432 420 V HA 0.137 4.257 4.120 0.000 0.000 0.271 420 V C 0.513 176.402 176.094 -0.342 0.000 1.046 420 V CA -0.365 61.722 62.300 -0.355 0.000 0.945 420 V CB 1.071 32.626 31.823 -0.448 0.000 0.992 420 V HN 0.807 nan 8.190 nan 0.000 0.471 421 E N 2.501 122.470 120.200 -0.385 0.000 2.351 421 E HA 0.565 4.915 4.350 0.000 0.000 0.255 421 E C -0.617 175.645 176.600 -0.564 0.000 1.188 421 E CA -0.194 55.963 56.400 -0.405 0.000 0.940 421 E CB 2.164 31.601 29.700 -0.438 0.000 1.094 421 E HN 0.419 nan 8.360 nan 0.000 0.474 422 V N -0.732 118.958 119.914 -0.374 0.000 2.969 422 V HA 0.713 4.833 4.120 0.000 0.000 0.304 422 V C -1.056 175.111 176.094 0.121 0.000 1.192 422 V CA -0.213 61.952 62.300 -0.224 0.000 0.962 422 V CB 2.164 33.791 31.823 -0.328 0.000 1.045 422 V HN 0.648 nan 8.190 nan 0.000 0.428 423 G N 4.004 112.977 108.800 0.288 0.000 2.662 423 G HA2 0.688 4.648 3.960 0.000 0.000 0.302 423 G HA3 0.688 4.648 3.960 0.000 0.000 0.302 423 G C -1.581 173.445 174.900 0.209 0.000 1.389 423 G CA -0.640 44.614 45.100 0.257 0.000 0.998 423 G HN 0.681 nan 8.290 nan 0.000 0.502 424 N N 0.224 119.047 118.700 0.205 0.000 2.235 424 N HA 0.589 5.329 4.740 0.000 0.000 0.293 424 N C -1.395 174.234 175.510 0.199 0.000 1.083 424 N CA -0.421 52.752 53.050 0.205 0.000 0.801 424 N CB 2.953 41.577 38.487 0.229 0.000 1.559 424 N HN 0.264 nan 8.380 nan 0.000 0.472 425 V N 1.904 121.913 119.914 0.160 0.000 2.577 425 V HA 0.344 4.464 4.120 0.000 0.000 0.303 425 V C -0.699 175.482 176.094 0.146 0.000 1.042 425 V CA -0.736 61.644 62.300 0.134 0.000 0.872 425 V CB 2.205 34.016 31.823 -0.019 0.000 0.998 425 V HN 0.467 nan 8.190 nan 0.000 0.423 426 L N 5.899 127.215 121.223 0.156 0.000 2.257 426 L HA 0.664 5.004 4.340 0.000 0.000 0.290 426 L C -0.348 176.554 176.870 0.053 0.000 1.044 426 L CA 0.248 55.148 54.840 0.100 0.000 0.810 426 L CB 1.029 43.120 42.059 0.052 0.000 1.193 426 L HN 0.787 nan 8.230 nan 0.000 0.425 427 M N 4.114 123.739 119.600 0.042 0.000 2.393 427 M HA 0.330 4.810 4.480 0.000 0.000 0.316 427 M C -0.984 175.313 176.300 -0.005 0.000 1.087 427 M CA -0.716 54.591 55.300 0.012 0.000 0.937 427 M CB 1.548 34.170 32.600 0.037 0.000 1.668 427 M HN 0.581 nan 8.290 nan 0.000 0.438 428 D N 2.986 123.360 120.400 -0.045 0.000 2.371 428 D HA 0.036 4.676 4.640 0.000 0.000 0.256 428 D C 0.214 176.515 176.300 0.002 0.000 1.193 428 D CA 0.298 54.271 54.000 -0.045 0.000 0.881 428 D CB 0.751 41.503 40.800 -0.079 0.000 1.143 428 D HN 0.635 nan 8.370 nan 0.000 0.473 429 N N 2.708 121.433 118.700 0.042 0.000 2.453 429 N HA -0.108 4.633 4.740 0.000 0.000 0.183 429 N C 1.141 176.725 175.510 0.123 0.000 1.041 429 N CA 0.734 53.848 53.050 0.107 0.000 0.900 429 N CB 0.168 38.741 38.487 0.143 0.000 0.961 429 N HN 0.630 nan 8.380 nan 0.000 0.443 430 Q N -0.962 118.862 119.800 0.040 0.000 2.424 430 Q HA 0.063 4.403 4.340 0.000 0.000 0.204 430 Q C 1.211 177.029 176.000 -0.303 0.000 0.933 430 Q CA 1.050 56.851 55.803 -0.004 0.000 0.929 430 Q CB 0.427 29.157 28.738 -0.013 0.000 1.037 430 Q HN 0.454 nan 8.270 nan 0.000 0.511 431 T N -5.554 108.858 114.554 -0.236 0.000 2.958 431 T HA 0.292 4.642 4.350 0.000 0.000 0.256 431 T C 1.420 176.055 174.700 -0.109 0.000 0.983 431 T CA 0.495 62.413 62.100 -0.304 0.000 0.924 431 T CB 0.808 69.590 68.868 -0.143 0.000 1.136 431 T HN 0.280 nan 8.240 nan 0.000 0.506 432 G N 1.917 110.698 108.800 -0.032 0.000 2.168 432 G HA2 -0.090 3.870 3.960 0.000 0.000 0.263 432 G HA3 -0.090 3.870 3.960 0.000 0.000 0.263 432 G C 0.401 175.147 174.900 -0.257 0.000 0.977 432 G CA 0.133 45.217 45.100 -0.027 0.000 0.659 432 G HN 1.302 nan 8.290 nan 0.000 0.533 433 A N -0.370 122.225 122.820 -0.375 0.000 2.445 433 A HA 0.649 4.969 4.320 0.000 0.000 0.242 433 A C 0.472 177.870 177.584 -0.309 0.000 1.075 433 A CA 0.156 51.821 52.037 -0.620 0.000 0.777 433 A CB 0.361 19.137 19.000 -0.373 0.000 1.013 433 A HN 0.776 nan 8.150 nan 0.000 0.493 434 I N 2.891 123.301 120.570 -0.267 0.000 2.307 434 I HA 0.127 4.297 4.170 0.000 0.000 0.289 434 I C 0.634 176.764 176.117 0.022 0.000 1.021 434 I CA -0.123 61.140 61.300 -0.062 0.000 1.224 434 I CB 1.289 39.300 38.000 0.018 0.000 1.376 434 I HN 0.694 nan 8.210 nan 0.000 0.470 435 L N 5.991 127.240 121.223 0.043 0.000 2.270 435 L HA 0.295 4.635 4.340 0.000 0.000 0.210 435 L C 1.042 178.016 176.870 0.174 0.000 1.104 435 L CA 0.193 55.067 54.840 0.056 0.000 0.804 435 L CB -0.300 41.749 42.059 -0.017 0.000 0.937 435 L HN 0.746 nan 8.230 nan 0.000 0.450 436 G N -0.580 108.394 108.800 0.290 0.000 2.466 436 G HA2 0.460 4.420 3.960 0.000 0.000 0.291 436 G HA3 0.460 4.420 3.960 0.000 0.000 0.291 436 G C -1.827 173.416 174.900 0.572 0.000 1.460 436 G CA -0.436 44.968 45.100 0.506 0.000 0.791 436 G HN -0.015 nan 8.290 nan 0.000 0.505 437 F N -2.043 118.129 119.950 0.370 0.000 2.773 437 F HA 0.789 5.317 4.527 0.000 0.000 0.314 437 F C -1.584 174.297 175.800 0.136 0.000 1.160 437 F CA -1.415 56.722 58.000 0.229 0.000 0.920 437 F CB 1.480 40.658 39.000 0.297 0.000 1.323 437 F HN 0.492 nan 8.300 nan 0.000 0.457 438 V N 1.620 121.676 119.914 0.236 0.000 2.448 438 V HA 0.543 4.663 4.120 0.000 0.000 0.295 438 V C 0.611 176.794 176.094 0.148 0.000 1.025 438 V CA 0.112 62.464 62.300 0.087 0.000 0.859 438 V CB 1.216 33.124 31.823 0.143 0.000 0.988 438 V HN 1.158 nan 8.190 nan 0.000 0.431 439 G N 2.741 111.441 108.800 -0.167 0.000 2.603 439 G HA2 0.531 4.491 3.960 0.000 0.000 0.214 439 G HA3 0.531 4.491 3.960 0.000 0.000 0.214 439 G C 0.527 175.231 174.900 -0.326 0.000 1.140 439 G CA 0.687 45.390 45.100 -0.663 0.000 0.800 439 G HN 1.211 nan 8.290 nan 0.000 0.533 440 G N -1.576 107.237 108.800 0.022 0.000 2.313 440 G HA2 0.273 4.233 3.960 0.000 0.000 0.296 440 G HA3 0.273 4.233 3.960 0.000 0.000 0.296 440 G C 0.229 175.306 174.900 0.294 0.000 1.356 440 G CA -0.585 44.722 45.100 0.346 0.000 0.833 440 G HN -0.086 nan 8.290 nan 0.000 0.552 441 R N -0.128 120.491 120.500 0.198 0.000 2.096 441 R HA -0.017 4.323 4.340 0.000 0.000 0.235 441 R C 0.784 177.195 176.300 0.186 0.000 1.127 441 R CA 1.526 57.703 56.100 0.129 0.000 0.968 441 R CB -0.366 29.967 30.300 0.054 0.000 0.861 441 R HN 0.637 nan 8.270 nan 0.000 0.440 442 N N -1.218 117.630 118.700 0.246 0.000 3.261 442 N HA -0.071 4.669 4.740 0.000 0.000 0.227 442 N C -0.131 175.471 175.510 0.153 0.000 1.338 442 N CA -0.166 53.002 53.050 0.196 0.000 0.833 442 N CB 0.236 38.790 38.487 0.112 0.000 1.606 442 N HN -0.084 nan 8.380 nan 0.000 0.649 443 Y N 2.555 122.843 120.300 -0.020 0.000 2.132 443 Y HA -0.345 4.205 4.550 0.000 0.000 0.280 443 Y C 2.105 177.906 175.900 -0.164 0.000 1.193 443 Y CA 2.010 59.917 58.100 -0.322 0.000 1.157 443 Y CB 0.293 38.432 38.460 -0.534 0.000 0.966 443 Y HN 0.643 nan 8.280 nan 0.000 0.511 444 Q N 0.202 120.027 119.800 0.041 0.000 2.291 444 Q HA -0.155 4.185 4.340 0.000 0.000 0.205 444 Q C 1.691 177.638 176.000 -0.088 0.000 0.970 444 Q CA 1.765 57.564 55.803 -0.007 0.000 0.876 444 Q CB -0.301 28.473 28.738 0.060 0.000 0.935 444 Q HN 0.727 nan 8.270 nan 0.000 0.455 445 E N 0.231 120.389 120.200 -0.071 0.000 2.251 445 E HA 0.039 4.389 4.350 0.000 0.000 0.194 445 E C 0.386 176.938 176.600 -0.081 0.000 0.964 445 E CA 0.131 56.499 56.400 -0.053 0.000 0.868 445 E CB 0.305 30.004 29.700 -0.001 0.000 0.828 445 E HN 0.093 nan 8.360 nan 0.000 0.481 446 N N 0.408 119.038 118.700 -0.116 0.000 2.537 446 N HA 0.045 4.785 4.740 0.000 0.000 0.281 446 N C -0.735 174.658 175.510 -0.195 0.000 1.097 446 N CA -0.020 52.976 53.050 -0.091 0.000 0.964 446 N CB 1.777 40.306 38.487 0.069 0.000 1.588 446 N HN -0.251 nan 8.380 nan 0.000 0.511 447 Q N 0.569 120.176 119.800 -0.322 0.000 2.319 447 Q HA 0.361 4.701 4.340 0.000 0.000 0.209 447 Q C -0.445 175.512 176.000 -0.071 0.000 0.884 447 Q CA -0.083 55.400 55.803 -0.534 0.000 0.938 447 Q CB 0.223 28.545 28.738 -0.694 0.000 1.098 447 Q HN 0.537 nan 8.270 nan 0.000 0.517 448 N N 2.098 120.779 118.700 -0.032 0.000 2.412 448 N HA -0.070 4.670 4.740 0.000 0.000 0.258 448 N C -0.431 175.044 175.510 -0.058 0.000 1.236 448 N CA 0.347 53.343 53.050 -0.090 0.000 0.882 448 N CB 0.343 38.691 38.487 -0.231 0.000 1.066 448 N HN 0.139 nan 8.380 nan 0.000 0.465 449 N N 1.622 120.330 118.700 0.012 0.000 2.500 449 N HA 0.056 4.796 4.740 0.000 0.000 0.236 449 N C 0.017 175.451 175.510 -0.126 0.000 1.022 449 N CA -0.154 52.935 53.050 0.065 0.000 0.935 449 N CB 0.176 38.810 38.487 0.245 0.000 1.147 449 N HN 0.439 nan 8.380 nan 0.000 0.512 450 H N 1.637 120.717 119.070 0.017 0.000 2.551 450 H HA 0.170 4.726 4.556 0.000 0.000 0.266 450 H C 1.496 176.753 175.328 -0.118 0.000 0.977 450 H CA 0.880 56.871 56.048 -0.095 0.000 1.163 450 H CB 0.716 30.497 29.762 0.031 0.000 1.381 450 H HN 0.665 nan 8.280 nan 0.000 0.581 451 A N -0.161 122.689 122.820 0.050 0.000 1.911 451 A HA 0.037 4.357 4.320 0.000 0.000 0.212 451 A C 1.260 178.608 177.584 -0.394 0.000 1.189 451 A CA 0.818 52.775 52.037 -0.132 0.000 0.639 451 A CB -0.128 18.835 19.000 -0.061 0.000 0.839 451 A HN 0.314 nan 8.150 nan 0.000 0.449 452 F N -0.976 118.918 119.950 -0.095 0.000 2.727 452 F HA 0.191 4.718 4.527 -0.000 0.000 0.302 452 F C 1.423 177.174 175.800 -0.082 0.000 1.107 452 F CA 0.286 58.222 58.000 -0.106 0.000 1.277 452 F CB 0.647 39.554 39.000 -0.155 0.000 1.079 452 F HN 0.121 nan 8.300 nan 0.000 0.594 453 D N -1.211 119.223 120.400 0.057 0.000 2.626 453 D HA 0.068 4.708 4.640 0.000 0.000 0.274 453 D C 0.628 176.883 176.300 -0.076 0.000 1.045 453 D CA 0.702 54.701 54.000 -0.001 0.000 0.925 453 D CB -0.375 40.425 40.800 -0.000 0.000 1.260 453 D HN -0.127 nan 8.370 nan 0.000 0.490 454 T N 2.519 116.980 114.554 -0.155 0.000 2.933 454 T HA 0.039 4.389 4.350 0.000 0.000 0.306 454 T C 0.367 174.946 174.700 -0.202 0.000 1.045 454 T CA 0.607 62.567 62.100 -0.235 0.000 1.143 454 T CB 0.639 69.246 68.868 -0.434 0.000 1.003 454 T HN -0.113 nan 8.240 nan 0.000 0.540 455 K N 3.952 124.263 120.400 -0.147 0.000 2.413 455 K HA 0.493 4.813 4.320 0.000 0.000 0.257 455 K C -0.301 176.265 176.600 -0.056 0.000 0.946 455 K CA -0.955 55.289 56.287 -0.071 0.000 0.823 455 K CB 1.763 34.247 32.500 -0.027 0.000 1.109 455 K HN 0.382 nan 8.250 nan 0.000 0.427 456 R N 0.564 121.081 120.500 0.028 0.000 2.771 456 R HA 0.233 4.573 4.340 0.000 0.000 0.274 456 R C -0.503 175.952 176.300 0.258 0.000 0.987 456 R CA -0.869 55.312 56.100 0.135 0.000 0.908 456 R CB 2.028 32.406 30.300 0.130 0.000 1.213 456 R HN 0.652 nan 8.270 nan 0.000 0.468 457 S N 2.674 118.493 115.700 0.198 0.000 2.563 457 S HA 0.035 4.505 4.470 0.000 0.000 0.294 457 S C -1.272 173.452 174.600 0.207 0.000 1.279 457 S CA -0.659 57.615 58.200 0.123 0.000 1.069 457 S CB 0.390 63.642 63.200 0.086 0.000 0.828 457 S HN 0.364 nan 8.310 nan 0.000 0.497 458 P HA 0.189 nan 4.420 nan 0.000 0.249 458 P C 0.863 177.947 177.300 -0.361 0.000 1.229 458 P CA 0.909 63.506 63.100 -0.837 0.000 0.788 458 P CB -0.558 30.400 31.700 -1.236 0.000 1.072 459 A N 1.283 124.050 122.820 -0.087 0.000 5.584 459 A HA -0.340 3.980 4.320 0.000 0.000 0.303 459 A C 2.017 179.596 177.584 -0.008 0.000 1.923 459 A CA 2.583 54.625 52.037 0.009 0.000 0.717 459 A CB -2.517 16.556 19.000 0.122 0.000 1.281 459 A HN 0.390 nan 8.150 nan 0.000 0.379 460 S N -1.566 114.166 115.700 0.053 0.000 2.390 460 S HA -0.309 4.161 4.470 0.000 0.000 0.234 460 S C 1.759 176.397 174.600 0.064 0.000 1.063 460 S CA 3.251 61.495 58.200 0.072 0.000 1.108 460 S CB -1.800 61.472 63.200 0.119 0.000 0.975 460 S HN 1.975 nan 8.310 nan 0.000 0.442 461 T N 1.462 116.057 114.554 0.070 0.000 2.902 461 T HA -0.202 4.148 4.350 0.000 0.000 0.260 461 T C 1.810 176.627 174.700 0.195 0.000 1.064 461 T CA 2.113 64.302 62.100 0.148 0.000 1.152 461 T CB -1.166 67.727 68.868 0.043 0.000 0.810 461 T HN 0.895 nan 8.240 nan 0.000 0.523 462 T N -0.417 114.150 114.554 0.022 0.000 3.054 462 T HA 0.074 4.424 4.350 0.000 0.000 0.259 462 T C 1.769 176.407 174.700 -0.104 0.000 1.092 462 T CA 0.676 62.739 62.100 -0.060 0.000 1.121 462 T CB -0.058 68.696 68.868 -0.190 0.000 0.912 462 T HN 0.430 nan 8.240 nan 0.000 0.489 463 K N 1.476 121.827 120.400 -0.081 0.000 2.044 463 K HA -0.057 4.263 4.320 0.000 0.000 0.210 463 K C -0.618 175.887 176.600 -0.159 0.000 1.049 463 K CA 1.923 58.091 56.287 -0.198 0.000 0.927 463 K CB -1.083 31.356 32.500 -0.102 0.000 0.713 463 K HN 0.372 nan 8.250 nan 0.000 0.443 464 P HA -0.134 nan 4.420 nan 0.000 0.218 464 P C 1.138 178.351 177.300 -0.144 0.000 1.149 464 P CA 1.213 64.327 63.100 0.023 0.000 0.817 464 P CB 0.075 31.796 31.700 0.035 0.000 0.785 465 L N -1.875 119.238 121.223 -0.182 0.000 2.127 465 L HA 0.026 4.366 4.340 0.000 0.000 0.203 465 L C 2.365 179.196 176.870 -0.065 0.000 1.080 465 L CA 1.008 55.755 54.840 -0.154 0.000 0.768 465 L CB -0.553 41.394 42.059 -0.187 0.000 0.924 465 L HN -0.076 nan 8.230 nan 0.000 0.444 466 L N -1.670 119.460 121.223 -0.154 0.000 2.515 466 L HA 0.272 4.612 4.340 0.000 0.000 0.223 466 L C 1.955 178.729 176.870 -0.162 0.000 1.079 466 L CA 0.546 55.289 54.840 -0.163 0.000 0.857 466 L CB 0.262 42.179 42.059 -0.236 0.000 1.050 466 L HN 0.122 nan 8.230 nan 0.000 0.476 467 A N -0.730 121.953 122.820 -0.227 0.000 2.182 467 A HA 0.076 4.396 4.320 0.000 0.000 0.222 467 A C 1.603 179.097 177.584 -0.150 0.000 1.904 467 A CA 0.361 52.240 52.037 -0.264 0.000 0.808 467 A CB -0.857 17.772 19.000 -0.619 0.000 1.404 467 A HN 0.288 nan 8.150 nan 0.000 0.587 468 Y N 0.764 121.046 120.300 -0.030 0.000 2.184 468 Y HA 0.054 4.604 4.550 0.000 0.000 0.290 468 Y C 2.798 178.647 175.900 -0.084 0.000 1.129 468 Y CA 0.539 58.610 58.100 -0.049 0.000 1.144 468 Y CB -1.365 37.067 38.460 -0.046 0.000 0.995 468 Y HN 0.325 nan 8.280 nan 0.000 0.513 469 G N 0.443 109.254 108.800 0.018 0.000 2.446 469 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 469 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 469 G C 1.779 176.702 174.900 0.037 0.000 1.168 469 G CA 1.324 46.375 45.100 -0.083 0.000 0.771 469 G HN 0.382 nan 8.290 nan 0.000 0.551 470 I N 1.423 121.979 120.570 -0.022 0.000 2.127 470 I HA -0.244 3.926 4.170 0.000 0.000 0.241 470 I C 3.350 179.416 176.117 -0.085 0.000 1.075 470 I CA 1.177 62.321 61.300 -0.261 0.000 1.334 470 I CB -0.332 37.415 38.000 -0.421 0.000 1.040 470 I HN 0.259 nan 8.210 nan 0.000 0.405 471 A N 0.929 123.743 122.820 -0.010 0.000 1.917 471 A HA -0.216 4.104 4.320 0.000 0.000 0.219 471 A C 2.289 179.894 177.584 0.034 0.000 1.182 471 A CA 1.760 53.819 52.037 0.036 0.000 0.633 471 A CB -0.932 18.109 19.000 0.069 0.000 0.819 471 A HN 0.420 nan 8.150 nan 0.000 0.448 472 I N -0.630 119.947 120.570 0.011 0.000 2.179 472 I HA -0.250 3.920 4.170 0.000 0.000 0.242 472 I C 2.259 178.418 176.117 0.069 0.000 1.088 472 I CA 1.890 63.180 61.300 -0.016 0.000 1.357 472 I CB -0.450 37.524 38.000 -0.043 0.000 1.051 472 I HN 0.327 nan 8.210 nan 0.000 0.409 473 D N 0.255 120.720 120.400 0.108 0.000 2.182 473 D HA -0.203 4.437 4.640 0.000 0.000 0.201 473 D C 2.036 178.446 176.300 0.183 0.000 0.986 473 D CA 1.107 55.217 54.000 0.183 0.000 0.847 473 D CB 0.121 41.090 40.800 0.281 0.000 0.942 473 D HN 0.220 nan 8.370 nan 0.000 0.467 474 Q N -1.017 118.875 119.800 0.152 0.000 2.403 474 Q HA 0.185 4.525 4.340 0.000 0.000 0.203 474 Q C 1.213 177.308 176.000 0.159 0.000 0.932 474 Q CA 0.712 56.607 55.803 0.154 0.000 0.945 474 Q CB 0.996 29.812 28.738 0.130 0.000 1.045 474 Q HN 0.401 nan 8.270 nan 0.000 0.511 475 G N 0.926 109.839 108.800 0.188 0.000 2.132 475 G HA2 -0.250 3.710 3.960 0.000 0.000 0.234 475 G HA3 -0.250 3.710 3.960 0.000 0.000 0.234 475 G C 0.567 175.674 174.900 0.346 0.000 0.989 475 G CA 0.277 45.545 45.100 0.281 0.000 0.676 475 G HN 0.386 nan 8.290 nan 0.000 0.522 476 L N -0.514 120.840 121.223 0.219 0.000 2.616 476 L HA 0.586 4.926 4.340 0.000 0.000 0.229 476 L C 1.264 178.211 176.870 0.129 0.000 1.110 476 L CA 0.970 55.932 54.840 0.203 0.000 0.884 476 L CB 0.034 42.167 42.059 0.123 0.000 1.115 476 L HN 0.635 nan 8.230 nan 0.000 0.481 477 M N -3.030 116.494 119.600 -0.126 0.000 2.732 477 M HA 0.723 5.203 4.480 0.000 0.000 0.272 477 M C -0.880 174.689 176.300 -1.219 0.000 1.203 477 M CA -0.687 54.251 55.300 -0.603 0.000 0.841 477 M CB 1.598 34.046 32.600 -0.254 0.000 1.685 477 M HN -0.178 nan 8.290 nan 0.000 0.492 478 G N -0.041 107.784 108.800 -1.624 0.000 2.816 478 G HA2 0.526 4.486 3.960 0.000 0.000 0.288 478 G HA3 0.526 4.486 3.960 0.000 0.000 0.288 478 G C 0.345 174.889 174.900 -0.594 0.000 1.334 478 G CA -0.255 44.038 45.100 -1.345 0.000 0.978 478 G HN 1.103 nan 8.290 nan 0.000 0.493 479 S N -0.887 114.605 115.700 -0.347 0.000 2.420 479 S HA -0.094 4.376 4.470 0.000 0.000 0.237 479 S C 0.924 175.418 174.600 -0.177 0.000 1.023 479 S CA 1.902 59.997 58.200 -0.175 0.000 0.991 479 S CB -0.027 63.162 63.200 -0.018 0.000 0.792 479 S HN 0.506 nan 8.310 nan 0.000 0.488 480 E N 0.883 120.974 120.200 -0.182 0.000 2.660 480 E HA 0.199 4.549 4.350 0.000 0.000 0.216 480 E C -0.300 176.259 176.600 -0.069 0.000 0.986 480 E CA -0.080 56.252 56.400 -0.114 0.000 1.037 480 E CB 0.429 30.072 29.700 -0.096 0.000 1.041 480 E HN 0.407 nan 8.360 nan 0.000 0.480 481 T N 2.351 116.843 114.554 -0.104 0.000 2.934 481 T HA -0.007 4.343 4.350 0.000 0.000 0.321 481 T C 0.720 175.408 174.700 -0.020 0.000 1.080 481 T CA 0.470 62.550 62.100 -0.034 0.000 1.132 481 T CB 0.695 69.488 68.868 -0.125 0.000 1.039 481 T HN -0.005 nan 8.240 nan 0.000 0.543 482 I N 2.810 123.413 120.570 0.055 0.000 2.498 482 I HA 0.489 4.659 4.170 0.000 0.000 0.301 482 I C -0.099 176.035 176.117 0.028 0.000 0.984 482 I CA -0.560 60.774 61.300 0.057 0.000 1.204 482 I CB 1.347 39.458 38.000 0.186 0.000 1.362 482 I HN 0.480 nan 8.210 nan 0.000 0.471 483 L N 3.289 124.503 121.223 -0.015 0.000 2.393 483 L HA 0.385 4.725 4.340 0.000 0.000 0.260 483 L C 0.062 176.895 176.870 -0.062 0.000 1.002 483 L CA -0.453 54.377 54.840 -0.017 0.000 0.818 483 L CB 1.871 43.956 42.059 0.044 0.000 1.369 483 L HN 0.523 nan 8.230 nan 0.000 0.412 484 S N 0.848 116.509 115.700 -0.066 0.000 2.513 484 S HA 0.298 4.768 4.470 0.000 0.000 0.276 484 S C 0.133 174.764 174.600 0.051 0.000 1.254 484 S CA -0.338 57.833 58.200 -0.048 0.000 1.053 484 S CB 0.304 63.406 63.200 -0.164 0.000 0.958 484 S HN 0.767 nan 8.310 nan 0.000 0.491 485 N N 3.782 122.396 118.700 -0.143 0.000 2.365 485 N HA 0.092 4.832 4.740 0.000 0.000 0.257 485 N C -1.243 174.087 175.510 -0.301 0.000 1.287 485 N CA -0.254 52.639 53.050 -0.261 0.000 0.882 485 N CB 0.205 38.317 38.487 -0.624 0.000 1.250 485 N HN 0.609 nan 8.380 nan 0.000 0.507 486 Y N 1.605 121.821 120.300 -0.140 0.000 2.480 486 Y HA 0.191 4.741 4.550 0.000 0.000 0.338 486 Y C -1.743 174.125 175.900 -0.054 0.000 1.220 486 Y CA -1.054 56.976 58.100 -0.117 0.000 1.430 486 Y CB 0.192 38.587 38.460 -0.109 0.000 1.311 486 Y HN 0.187 nan 8.280 nan 0.000 0.575 487 P HA -0.023 nan 4.420 nan 0.000 0.264 487 P C -0.362 176.970 177.300 0.052 0.000 1.183 487 P CA 0.431 63.549 63.100 0.030 0.000 0.763 487 P CB 0.652 32.367 31.700 0.025 0.000 0.807 488 T N 2.135 116.659 114.554 -0.050 0.000 2.792 488 T HA 0.423 4.773 4.350 0.000 0.000 0.303 488 T C -1.377 173.156 174.700 -0.279 0.000 1.310 488 T CA -0.767 61.282 62.100 -0.085 0.000 1.007 488 T CB 0.718 69.589 68.868 0.005 0.000 1.335 488 T HN 0.133 nan 8.240 nan 0.000 0.504 489 N N 1.060 119.611 118.700 -0.249 0.000 2.370 489 N HA 0.530 5.270 4.740 0.000 0.000 0.303 489 N C -0.638 174.639 175.510 -0.388 0.000 1.103 489 N CA -0.524 52.349 53.050 -0.294 0.000 0.848 489 N CB 0.721 39.151 38.487 -0.095 0.000 1.235 489 N HN 0.433 nan 8.380 nan 0.000 0.496 490 F N 1.129 120.942 119.950 -0.229 0.000 2.633 490 F HA 0.014 4.541 4.527 0.000 0.000 0.338 490 F C 1.958 177.718 175.800 -0.065 0.000 1.206 490 F CA -0.158 57.737 58.000 -0.175 0.000 1.378 490 F CB 0.055 38.980 39.000 -0.124 0.000 1.116 490 F HN 0.632 nan 8.300 nan 0.000 0.615 491 A N 1.602 124.548 122.820 0.210 0.000 1.986 491 A HA -0.264 4.057 4.320 0.000 0.000 0.220 491 A C 1.749 179.393 177.584 0.100 0.000 1.171 491 A CA 1.838 53.953 52.037 0.131 0.000 0.640 491 A CB -1.099 17.973 19.000 0.120 0.000 0.811 491 A HN 0.787 nan 8.150 nan 0.000 0.451 492 N N -0.930 117.834 118.700 0.107 0.000 2.515 492 N HA 0.230 4.970 4.740 0.000 0.000 0.191 492 N C 1.046 176.599 175.510 0.073 0.000 1.182 492 N CA 1.268 54.361 53.050 0.073 0.000 0.879 492 N CB -0.493 38.025 38.487 0.052 0.000 0.984 492 N HN 0.799 nan 8.380 nan 0.000 0.453 493 G N -0.422 108.425 108.800 0.079 0.000 2.253 493 G HA2 -0.332 3.628 3.960 0.000 0.000 0.251 493 G HA3 -0.332 3.628 3.960 0.000 0.000 0.251 493 G C -0.198 174.734 174.900 0.053 0.000 0.998 493 G CA 0.089 45.221 45.100 0.054 0.000 0.621 493 G HN 0.579 nan 8.290 nan 0.000 0.524 494 N N 2.933 121.691 118.700 0.097 0.000 2.492 494 N HA 0.385 5.125 4.740 0.000 0.000 0.260 494 N C -2.328 173.210 175.510 0.045 0.000 1.215 494 N CA -0.663 52.451 53.050 0.107 0.000 0.923 494 N CB 1.084 39.680 38.487 0.183 0.000 1.092 494 N HN 0.236 nan 8.380 nan 0.000 0.448 495 P HA 0.114 nan 4.420 nan 0.000 0.279 495 P C -0.411 176.746 177.300 -0.237 0.000 1.239 495 P CA -0.019 62.999 63.100 -0.136 0.000 0.789 495 P CB 0.861 32.526 31.700 -0.059 0.000 0.933 496 I N 3.643 123.898 120.570 -0.525 0.000 2.494 496 I HA 0.072 4.242 4.170 0.000 0.000 0.289 496 I C 0.967 177.001 176.117 -0.138 0.000 1.106 496 I CA 0.204 61.182 61.300 -0.537 0.000 1.369 496 I CB -0.198 37.300 38.000 -0.837 0.000 1.410 496 I HN 0.144 nan 8.210 nan 0.000 0.523 497 M N 7.151 126.758 119.600 0.012 0.000 2.409 497 M HA 0.328 4.809 4.480 0.000 0.000 0.329 497 M C -0.665 175.777 176.300 0.236 0.000 1.180 497 M CA -0.667 54.702 55.300 0.114 0.000 1.053 497 M CB 1.107 33.764 32.600 0.094 0.000 1.586 497 M HN 0.435 nan 8.290 nan 0.000 0.461 498 Y N 1.101 121.479 120.300 0.130 0.000 2.331 498 Y HA 0.548 5.098 4.550 0.000 0.000 0.326 498 Y C 0.301 176.228 175.900 0.045 0.000 1.020 498 Y CA 0.277 58.442 58.100 0.108 0.000 1.136 498 Y CB 0.942 39.527 38.460 0.209 0.000 1.157 498 Y HN 1.050 nan 8.280 nan 0.000 0.444 499 A N 4.300 126.885 122.820 -0.391 0.000 5.236 499 A HA -0.384 3.937 4.320 0.000 0.000 0.326 499 A C 0.756 178.298 177.584 -0.069 0.000 1.825 499 A CA 1.894 53.764 52.037 -0.277 0.000 0.710 499 A CB -1.680 17.124 19.000 -0.328 0.000 1.383 499 A HN 0.857 nan 8.150 nan 0.000 0.386 500 N N 0.027 118.720 118.700 -0.012 0.000 2.200 500 N HA 0.232 4.972 4.740 0.000 0.000 0.224 500 N C -0.217 175.345 175.510 0.087 0.000 1.179 500 N CA 0.871 53.940 53.050 0.031 0.000 0.877 500 N CB 0.635 39.129 38.487 0.012 0.000 1.072 500 N HN 0.746 nan 8.380 nan 0.000 0.519 501 S N 0.449 116.249 115.700 0.168 0.000 2.457 501 S HA 0.258 4.728 4.470 0.000 0.000 0.289 501 S C 1.006 175.736 174.600 0.216 0.000 1.163 501 S CA -0.501 57.840 58.200 0.235 0.000 1.078 501 S CB 1.165 64.624 63.200 0.432 0.000 0.987 501 S HN 0.061 nan 8.310 nan 0.000 0.482 502 K N 3.251 123.723 120.400 0.119 0.000 2.555 502 K HA 0.222 4.542 4.320 0.000 0.000 0.193 502 K C 1.056 177.674 176.600 0.031 0.000 1.032 502 K CA 0.469 56.794 56.287 0.064 0.000 1.004 502 K CB -0.357 32.159 32.500 0.027 0.000 0.804 502 K HN 0.931 nan 8.250 nan 0.000 0.496 503 G N 0.243 109.064 108.800 0.036 0.000 2.462 503 G HA2 -0.197 3.763 3.960 0.000 0.000 0.685 503 G HA3 -0.197 3.763 3.960 0.000 0.000 0.685 503 G C 0.086 174.792 174.900 -0.324 0.000 1.295 503 G CA -0.412 44.564 45.100 -0.205 0.000 0.941 503 G HN 0.111 nan 8.290 nan 0.000 0.554 504 T N -2.612 111.597 114.554 -0.575 0.000 1.850 504 T HA 0.870 5.220 4.350 0.000 0.000 0.176 504 T C 1.208 175.464 174.700 -0.739 0.000 0.702 504 T CA 0.969 62.737 62.100 -0.552 0.000 1.184 504 T CB 0.942 69.436 68.868 -0.623 0.000 3.221 504 T HN 2.339 nan 8.240 nan 0.000 0.405 505 G N 0.716 108.985 108.800 -0.885 0.000 3.107 505 G HA2 0.567 4.527 3.960 0.000 0.000 0.233 505 G HA3 0.567 4.527 3.960 0.000 0.000 0.233 505 G C -0.763 173.598 174.900 -0.899 0.000 1.168 505 G CA -0.890 43.350 45.100 -1.434 0.000 0.801 505 G HN 0.502 nan 8.290 nan 0.000 0.605 506 M N 1.068 120.345 119.600 -0.539 0.000 2.232 506 M HA 0.498 4.978 4.480 0.000 0.000 0.321 506 M C 0.335 176.492 176.300 -0.238 0.000 1.101 506 M CA 0.263 55.427 55.300 -0.227 0.000 1.181 506 M CB 0.225 32.800 32.600 -0.041 0.000 1.432 506 M HN 0.732 nan 8.290 nan 0.000 0.457 507 M N -0.595 118.904 119.600 -0.168 0.000 2.790 507 M HA 0.517 4.997 4.480 0.000 0.000 0.272 507 M C -0.432 175.811 176.300 -0.096 0.000 1.168 507 M CA -0.972 54.234 55.300 -0.157 0.000 0.829 507 M CB 1.677 34.141 32.600 -0.227 0.000 1.675 507 M HN 0.644 nan 8.290 nan 0.000 0.505 508 T N -0.658 113.849 114.554 -0.078 0.000 2.754 508 T HA 0.328 4.678 4.350 0.000 0.000 0.286 508 T C 0.794 175.441 174.700 -0.088 0.000 0.997 508 T CA -0.484 61.574 62.100 -0.070 0.000 0.982 508 T CB 0.986 69.816 68.868 -0.062 0.000 1.027 508 T HN 0.765 nan 8.240 nan 0.000 0.529 509 L N 1.568 122.713 121.223 -0.130 0.000 2.083 509 L HA 0.188 4.528 4.340 0.000 0.000 0.209 509 L C 2.543 179.306 176.870 -0.177 0.000 1.083 509 L CA 2.431 57.135 54.840 -0.226 0.000 0.752 509 L CB -1.458 40.425 42.059 -0.293 0.000 0.899 509 L HN 0.958 nan 8.230 nan 0.000 0.433 510 G N -0.833 107.909 108.800 -0.098 0.000 2.440 510 G HA2 -0.350 3.610 3.960 0.000 0.000 0.218 510 G HA3 -0.350 3.610 3.960 0.000 0.000 0.218 510 G C 1.495 176.413 174.900 0.029 0.000 1.154 510 G CA 0.868 45.946 45.100 -0.037 0.000 0.767 510 G HN 0.618 nan 8.290 nan 0.000 0.552 511 E N 0.424 120.656 120.200 0.053 0.000 2.158 511 E HA 0.172 4.522 4.350 0.000 0.000 0.191 511 E C 2.652 179.404 176.600 0.254 0.000 0.982 511 E CA 0.840 57.343 56.400 0.172 0.000 0.823 511 E CB -0.265 29.492 29.700 0.095 0.000 0.766 511 E HN 0.291 nan 8.360 nan 0.000 0.468 512 A N 1.445 124.349 122.820 0.140 0.000 1.908 512 A HA -0.150 4.170 4.320 0.000 0.000 0.218 512 A C 2.214 179.911 177.584 0.188 0.000 1.181 512 A CA 1.228 53.391 52.037 0.210 0.000 0.627 512 A CB -0.717 18.315 19.000 0.053 0.000 0.818 512 A HN 0.361 nan 8.150 nan 0.000 0.445 513 L N -0.632 120.624 121.223 0.054 0.000 2.093 513 L HA -0.190 4.150 4.340 0.000 0.000 0.208 513 L C 2.383 179.310 176.870 0.094 0.000 1.085 513 L CA 1.538 56.421 54.840 0.072 0.000 0.755 513 L CB -0.467 41.583 42.059 -0.014 0.000 0.904 513 L HN 0.525 nan 8.230 nan 0.000 0.435 514 N N -1.408 117.354 118.700 0.102 0.000 2.171 514 N HA -0.181 4.559 4.740 0.000 0.000 0.184 514 N C 1.555 177.030 175.510 -0.060 0.000 1.021 514 N CA 0.986 54.054 53.050 0.032 0.000 0.854 514 N CB -0.010 38.504 38.487 0.045 0.000 0.994 514 N HN 0.230 nan 8.380 nan 0.000 0.426 515 Y N 0.364 120.637 120.300 -0.045 0.000 2.517 515 Y HA 0.126 4.676 4.550 0.000 0.000 0.281 515 Y C 1.212 176.938 175.900 -0.290 0.000 1.125 515 Y CA 0.120 58.091 58.100 -0.216 0.000 1.283 515 Y CB 0.323 38.520 38.460 -0.438 0.000 1.042 515 Y HN -0.135 nan 8.280 nan 0.000 0.547 516 S N -1.083 114.634 115.700 0.028 0.000 3.748 516 S HA -0.197 4.273 4.470 0.000 0.000 0.329 516 S C -0.141 174.475 174.600 0.027 0.000 1.104 516 S CA -0.136 58.121 58.200 0.096 0.000 0.954 516 S CB -1.672 61.627 63.200 0.164 0.000 0.910 516 S HN 0.500 nan 8.310 nan 0.000 0.494 517 W N 1.211 122.429 121.300 -0.138 0.000 2.089 517 W HA 0.307 4.968 4.660 0.000 0.000 0.355 517 W C 1.600 178.115 176.519 -0.007 0.000 1.305 517 W CA -0.160 56.982 57.345 -0.340 0.000 1.281 517 W CB 0.170 29.446 29.460 -0.307 0.000 1.183 517 W HN 0.227 nan 8.180 nan 0.000 0.604 518 N N 0.230 119.148 118.700 0.363 0.000 2.482 518 N HA 0.038 4.778 4.740 0.000 0.000 0.179 518 N C 1.687 177.320 175.510 0.206 0.000 1.039 518 N CA 0.543 53.759 53.050 0.277 0.000 0.884 518 N CB -0.094 38.556 38.487 0.272 0.000 1.113 518 N HN 0.374 nan 8.380 nan 0.000 0.440 519 I N 2.082 122.746 120.570 0.157 0.000 2.179 519 I HA -0.155 4.015 4.170 0.000 0.000 0.242 519 I C -0.841 175.421 176.117 0.241 0.000 1.088 519 I CA 1.224 62.575 61.300 0.086 0.000 1.357 519 I CB -1.032 36.987 38.000 0.031 0.000 1.051 519 I HN 0.049 nan 8.210 nan 0.000 0.409 520 P HA -0.223 nan 4.420 nan 0.000 0.216 520 P C 1.347 178.875 177.300 0.381 0.000 1.150 520 P CA 1.991 65.310 63.100 0.366 0.000 0.843 520 P CB -0.076 31.801 31.700 0.295 0.000 0.787 521 A N -1.232 121.763 122.820 0.293 0.000 1.872 521 A HA -0.209 4.112 4.320 0.000 0.000 0.214 521 A C 2.303 179.958 177.584 0.119 0.000 1.187 521 A CA 1.380 53.467 52.037 0.084 0.000 0.614 521 A CB -1.902 17.086 19.000 -0.021 0.000 0.826 521 A HN 0.169 nan 8.150 nan 0.000 0.442 522 Y N -0.703 119.609 120.300 0.018 0.000 2.102 522 Y HA -0.332 4.218 4.550 0.000 0.000 0.280 522 Y C 2.089 177.968 175.900 -0.035 0.000 1.178 522 Y CA 2.121 60.192 58.100 -0.049 0.000 1.146 522 Y CB -0.622 37.694 38.460 -0.239 0.000 0.968 522 Y HN 0.457 nan 8.280 nan 0.000 0.504 523 W N 0.072 121.347 121.300 -0.042 0.000 2.388 523 W HA -0.139 4.521 4.660 0.000 0.000 0.294 523 W C 2.546 179.007 176.519 -0.096 0.000 1.212 523 W CA 1.521 58.762 57.345 -0.173 0.000 1.271 523 W CB -0.598 28.860 29.460 -0.005 0.000 1.126 523 W HN -0.059 nan 8.180 nan 0.000 0.535 524 T N -0.338 114.354 114.554 0.230 0.000 2.674 524 T HA -0.310 4.040 4.350 0.000 0.000 0.265 524 T C 1.381 176.156 174.700 0.124 0.000 1.039 524 T CA 1.621 63.822 62.100 0.169 0.000 1.150 524 T CB -0.836 68.128 68.868 0.159 0.000 0.864 524 T HN 0.098 nan 8.240 nan 0.000 0.427 525 Y N 2.270 122.534 120.300 -0.060 0.000 2.128 525 Y HA -0.107 4.443 4.550 0.000 0.000 0.284 525 Y C 2.653 178.514 175.900 -0.065 0.000 1.154 525 Y CA 1.291 59.351 58.100 -0.067 0.000 1.149 525 Y CB -0.494 37.925 38.460 -0.069 0.000 0.976 525 Y HN 0.010 nan 8.280 nan 0.000 0.505 526 R N 0.009 120.378 120.500 -0.219 0.000 2.083 526 R HA -0.260 4.081 4.340 0.000 0.000 0.237 526 R C 2.564 178.782 176.300 -0.138 0.000 1.137 526 R CA 2.106 58.043 56.100 -0.272 0.000 0.951 526 R CB -0.536 29.579 30.300 -0.310 0.000 0.851 526 R HN 0.532 nan 8.270 nan 0.000 0.434 527 M N 0.551 120.136 119.600 -0.024 0.000 2.106 527 M HA -0.216 4.264 4.480 0.000 0.000 0.259 527 M C 1.795 178.077 176.300 -0.030 0.000 1.068 527 M CA 1.734 57.037 55.300 0.004 0.000 1.100 527 M CB -0.051 32.582 32.600 0.055 0.000 1.351 527 M HN 0.268 nan 8.290 nan 0.000 0.404 528 L N -0.512 120.678 121.223 -0.054 0.000 2.093 528 L HA -0.166 4.174 4.340 0.000 0.000 0.208 528 L C 2.661 179.459 176.870 -0.120 0.000 1.085 528 L CA 1.092 55.902 54.840 -0.049 0.000 0.755 528 L CB -0.734 41.331 42.059 0.009 0.000 0.904 528 L HN 0.294 nan 8.230 nan 0.000 0.435 529 R N 0.348 120.687 120.500 -0.268 0.000 2.083 529 R HA -0.212 4.128 4.340 0.000 0.000 0.237 529 R C 2.164 178.397 176.300 -0.112 0.000 1.137 529 R CA 1.693 57.653 56.100 -0.233 0.000 0.951 529 R CB -0.388 29.709 30.300 -0.338 0.000 0.851 529 R HN 0.398 nan 8.270 nan 0.000 0.434 530 E N 0.338 120.487 120.200 -0.085 0.000 2.204 530 E HA -0.144 4.206 4.350 0.000 0.000 0.195 530 E C 0.752 177.341 176.600 -0.018 0.000 0.990 530 E CA 1.084 57.462 56.400 -0.036 0.000 0.821 530 E CB 0.016 29.708 29.700 -0.013 0.000 0.750 530 E HN 0.319 nan 8.360 nan 0.000 0.477 531 N N -0.743 117.948 118.700 -0.014 0.000 2.276 531 N HA 0.130 4.870 4.740 0.000 0.000 0.212 531 N C 0.173 175.685 175.510 0.003 0.000 1.127 531 N CA 0.547 53.600 53.050 0.005 0.000 0.834 531 N CB 1.219 39.721 38.487 0.025 0.000 1.014 531 N HN 0.143 nan 8.380 nan 0.000 0.491 532 G N 0.256 109.048 108.800 -0.014 0.000 2.361 532 G HA2 -0.289 3.671 3.960 0.000 0.000 0.294 532 G HA3 -0.289 3.671 3.960 0.000 0.000 0.294 532 G C 0.075 174.974 174.900 -0.000 0.000 1.004 532 G CA 0.190 45.281 45.100 -0.014 0.000 0.870 532 G HN 0.216 nan 8.290 nan 0.000 0.510 533 V N 0.243 120.163 119.914 0.011 0.000 2.673 533 V HA 0.132 4.252 4.120 0.000 0.000 0.303 533 V C 1.033 177.155 176.094 0.046 0.000 1.046 533 V CA 0.412 62.742 62.300 0.050 0.000 1.126 533 V CB 1.431 33.299 31.823 0.074 0.000 0.934 533 V HN 0.436 nan 8.190 nan 0.000 0.487 534 D N 4.259 124.697 120.400 0.062 0.000 2.608 534 D HA 0.116 4.756 4.640 0.000 0.000 0.224 534 D C 0.893 177.241 176.300 0.081 0.000 1.123 534 D CA 0.100 54.109 54.000 0.015 0.000 1.030 534 D CB 0.582 41.364 40.800 -0.031 0.000 1.093 534 D HN 0.263 nan 8.370 nan 0.000 0.497 535 V N 3.032 122.979 119.914 0.054 0.000 2.427 535 V HA -0.205 3.916 4.120 0.000 0.000 0.248 535 V C 2.499 178.595 176.094 0.003 0.000 1.051 535 V CA 1.518 63.884 62.300 0.110 0.000 1.048 535 V CB -0.428 31.492 31.823 0.162 0.000 0.666 535 V HN 0.501 nan 8.190 nan 0.000 0.456 536 K N 0.300 120.500 120.400 -0.334 0.000 2.113 536 K HA -0.193 4.127 4.320 0.000 0.000 0.208 536 K C 2.122 178.653 176.600 -0.116 0.000 1.047 536 K CA 1.787 57.795 56.287 -0.466 0.000 0.928 536 K CB -0.598 31.464 32.500 -0.730 0.000 0.716 536 K HN 0.505 nan 8.250 nan 0.000 0.446 537 G N -0.141 108.598 108.800 -0.102 0.000 2.421 537 G HA2 -0.252 3.709 3.960 0.000 0.000 0.216 537 G HA3 -0.252 3.709 3.960 0.000 0.000 0.216 537 G C 1.163 175.989 174.900 -0.122 0.000 1.171 537 G CA 0.967 45.998 45.100 -0.116 0.000 0.775 537 G HN 0.324 nan 8.290 nan 0.000 0.543 538 Y N 0.383 120.598 120.300 -0.141 0.000 2.114 538 Y HA -0.139 4.411 4.550 0.000 0.000 0.284 538 Y C 3.209 179.026 175.900 -0.138 0.000 1.143 538 Y CA 1.522 59.501 58.100 -0.200 0.000 1.135 538 Y CB -0.186 38.133 38.460 -0.235 0.000 0.980 538 Y HN 0.037 nan 8.280 nan 0.000 0.499 539 M N -0.075 119.609 119.600 0.140 0.000 2.149 539 M HA -0.223 4.257 4.480 0.000 0.000 0.261 539 M C 1.849 178.250 176.300 0.169 0.000 1.064 539 M CA 1.616 57.016 55.300 0.167 0.000 1.102 539 M CB -1.254 31.459 32.600 0.187 0.000 1.369 539 M HN 0.382 nan 8.290 nan 0.000 0.408 540 E N 0.235 120.484 120.200 0.081 0.000 2.150 540 E HA -0.137 4.213 4.350 0.000 0.000 0.193 540 E C 1.945 178.502 176.600 -0.071 0.000 0.985 540 E CA 0.740 57.159 56.400 0.032 0.000 0.814 540 E CB -0.080 29.632 29.700 0.019 0.000 0.752 540 E HN 0.518 nan 8.360 nan 0.000 0.466 541 K N 0.051 120.367 120.400 -0.140 0.000 2.362 541 K HA -0.026 4.294 4.320 0.000 0.000 0.200 541 K C 1.602 177.823 176.600 -0.632 0.000 1.046 541 K CA 0.801 56.922 56.287 -0.277 0.000 0.952 541 K CB 0.076 32.425 32.500 -0.253 0.000 0.753 541 K HN 0.131 nan 8.250 nan 0.000 0.466 542 M N -0.749 118.571 119.600 -0.466 0.000 2.428 542 M HA 0.104 4.584 4.480 0.000 0.000 0.239 542 M C 0.561 176.615 176.300 -0.410 0.000 1.121 542 M CA 0.244 55.140 55.300 -0.673 0.000 1.019 542 M CB 1.073 33.652 32.600 -0.036 0.000 1.485 542 M HN 0.330 nan 8.290 nan 0.000 0.484 543 G N 0.339 109.005 108.800 -0.225 0.000 2.137 543 G HA2 -0.274 3.686 3.960 0.000 0.000 0.237 543 G HA3 -0.274 3.686 3.960 0.000 0.000 0.237 543 G C -0.411 174.431 174.900 -0.096 0.000 1.002 543 G CA -0.416 44.633 45.100 -0.084 0.000 0.702 543 G HN 0.461 nan 8.290 nan 0.000 0.515 544 Y N 0.753 121.062 120.300 0.014 0.000 2.319 544 Y HA 0.464 5.014 4.550 0.000 0.000 0.328 544 Y C 1.019 176.941 175.900 0.037 0.000 1.133 544 Y CA -0.155 57.964 58.100 0.031 0.000 1.265 544 Y CB 0.900 39.378 38.460 0.031 0.000 1.218 544 Y HN 0.216 nan 8.280 nan 0.000 0.508 545 E N 4.907 125.210 120.200 0.172 0.000 2.063 545 E HA 0.363 4.713 4.350 0.000 0.000 0.265 545 E C -1.100 175.538 176.600 0.063 0.000 0.919 545 E CA -0.182 56.282 56.400 0.108 0.000 0.756 545 E CB 0.733 30.471 29.700 0.063 0.000 1.120 545 E HN 0.493 nan 8.360 nan 0.000 0.414 546 I N 4.797 125.389 120.570 0.035 0.000 2.390 546 I HA 0.199 4.369 4.170 0.000 0.000 0.283 546 I C -1.521 174.533 176.117 -0.104 0.000 1.016 546 I CA -2.024 59.192 61.300 -0.141 0.000 1.151 546 I CB 1.620 39.352 38.000 -0.447 0.000 1.293 546 I HN 0.320 nan 8.210 nan 0.000 0.458 547 P HA -0.095 nan 4.420 nan 0.000 0.220 547 P C 0.116 177.419 177.300 0.006 0.000 1.148 547 P CA 1.213 64.311 63.100 -0.004 0.000 0.803 547 P CB 0.283 31.975 31.700 -0.013 0.000 0.782 548 E N -1.784 118.361 120.200 -0.091 0.000 2.307 548 E HA 0.208 4.558 4.350 0.000 0.000 0.280 548 E C -0.939 175.593 176.600 -0.113 0.000 0.900 548 E CA -0.563 55.827 56.400 -0.018 0.000 0.790 548 E CB 0.191 29.885 29.700 -0.009 0.000 1.261 548 E HN -0.161 nan 8.360 nan 0.000 0.405 549 Y N 2.052 122.386 120.300 0.056 0.000 2.462 549 Y HA 0.333 4.883 4.550 0.000 0.000 0.261 549 Y C 1.608 177.612 175.900 0.173 0.000 1.146 549 Y CA 0.482 58.646 58.100 0.107 0.000 1.283 549 Y CB 1.301 39.842 38.460 0.134 0.000 1.090 549 Y HN 0.635 nan 8.280 nan 0.000 0.526 550 G N 1.094 110.024 108.800 0.217 0.000 3.636 550 G HA2 0.425 4.385 3.960 0.000 0.000 0.260 550 G HA3 0.425 4.385 3.960 0.000 0.000 0.260 550 G C -0.353 174.622 174.900 0.125 0.000 1.014 550 G CA -0.027 45.173 45.100 0.166 0.000 1.797 550 G HN 0.178 nan 8.290 nan 0.000 0.637 551 I N -0.175 120.494 120.570 0.165 0.000 2.512 551 I HA 0.185 4.356 4.170 0.000 0.000 0.287 551 I C 0.692 176.913 176.117 0.174 0.000 1.069 551 I CA -0.603 60.752 61.300 0.092 0.000 1.056 551 I CB 2.532 40.532 38.000 0.001 0.000 1.229 551 I HN 0.252 nan 8.210 nan 0.000 0.429 552 E N 2.174 122.467 120.200 0.155 0.000 2.204 552 E HA -0.152 4.198 4.350 0.000 0.000 0.195 552 E C 1.310 178.114 176.600 0.340 0.000 0.990 552 E CA 1.382 57.970 56.400 0.313 0.000 0.821 552 E CB 0.130 30.055 29.700 0.375 0.000 0.750 552 E HN 0.677 nan 8.360 nan 0.000 0.477 553 S N -0.111 115.662 115.700 0.123 0.000 2.582 553 S HA 0.114 4.584 4.470 0.000 0.000 0.234 553 S C 1.453 176.049 174.600 -0.007 0.000 0.961 553 S CA -0.398 57.865 58.200 0.106 0.000 0.953 553 S CB 0.203 63.394 63.200 -0.015 0.000 0.800 553 S HN 0.063 nan 8.310 nan 0.000 0.471 554 L N 2.991 124.174 121.223 -0.066 0.000 1.990 554 L HA 0.048 4.389 4.340 0.000 0.000 0.213 554 L C -0.935 175.761 176.870 -0.290 0.000 1.072 554 L CA 2.051 56.746 54.840 -0.241 0.000 0.755 554 L CB -0.962 40.857 42.059 -0.400 0.000 0.889 554 L HN 0.221 nan 8.230 nan 0.000 0.432 555 P HA -0.107 nan 4.420 nan 0.000 0.233 555 P C 1.281 178.499 177.300 -0.137 0.000 1.167 555 P CA 1.177 64.113 63.100 -0.273 0.000 0.770 555 P CB -0.062 31.494 31.700 -0.240 0.000 0.837 556 M N -1.150 118.420 119.600 -0.051 0.000 2.618 556 M HA 0.275 4.755 4.480 0.000 0.000 0.240 556 M C 1.298 177.579 176.300 -0.031 0.000 1.123 556 M CA 0.914 56.216 55.300 0.004 0.000 1.060 556 M CB -0.745 31.903 32.600 0.080 0.000 1.535 556 M HN 0.060 nan 8.290 nan 0.000 0.507 557 G N -0.605 108.137 108.800 -0.097 0.000 2.159 557 G HA2 -0.151 3.809 3.960 0.000 0.000 0.227 557 G HA3 -0.151 3.809 3.960 0.000 0.000 0.227 557 G C 0.369 175.214 174.900 -0.092 0.000 0.986 557 G CA -0.377 44.656 45.100 -0.113 0.000 0.651 557 G HN 0.706 nan 8.290 nan 0.000 0.523 558 G N -0.934 107.816 108.800 -0.084 0.000 2.432 558 G HA2 0.575 4.535 3.960 0.000 0.000 0.257 558 G HA3 0.575 4.535 3.960 0.000 0.000 0.257 558 G C 1.380 176.214 174.900 -0.110 0.000 1.238 558 G CA 1.133 46.186 45.100 -0.079 0.000 0.838 558 G HN 1.832 nan 8.290 nan 0.000 0.547 559 G N 0.448 109.191 108.800 -0.094 0.000 2.153 559 G HA2 -0.250 3.710 3.960 0.000 0.000 0.252 559 G HA3 -0.250 3.710 3.960 0.000 0.000 0.252 559 G C 0.200 175.021 174.900 -0.131 0.000 0.994 559 G CA 0.588 45.624 45.100 -0.107 0.000 0.698 559 G HN 0.837 nan 8.290 nan 0.000 0.521 560 I N -0.077 120.419 120.570 -0.122 0.000 2.498 560 I HA 0.542 4.712 4.170 0.000 0.000 0.290 560 I C -0.298 175.773 176.117 -0.078 0.000 1.032 560 I CA -0.775 60.448 61.300 -0.129 0.000 1.073 560 I CB 2.053 39.939 38.000 -0.190 0.000 1.251 560 I HN 0.035 nan 8.210 nan 0.000 0.426 561 E N 5.305 125.477 120.200 -0.046 0.000 2.272 561 E HA 0.652 5.002 4.350 0.000 0.000 0.269 561 E C -1.336 175.266 176.600 0.003 0.000 0.877 561 E CA -0.771 55.624 56.400 -0.009 0.000 0.755 561 E CB 3.413 33.115 29.700 0.004 0.000 1.192 561 E HN 0.447 nan 8.360 nan 0.000 0.422 562 V N -0.978 118.951 119.914 0.025 0.000 3.007 562 V HA 0.650 4.770 4.120 0.000 0.000 0.311 562 V C 0.064 176.220 176.094 0.103 0.000 1.120 562 V CA -0.940 61.385 62.300 0.041 0.000 0.980 562 V CB 1.498 33.319 31.823 -0.003 0.000 1.033 562 V HN 0.798 nan 8.190 nan 0.000 0.429 563 T N -0.007 114.589 114.554 0.069 0.000 2.828 563 T HA 0.412 4.762 4.350 0.000 0.000 0.290 563 T C 1.153 175.964 174.700 0.186 0.000 1.019 563 T CA 0.237 62.369 62.100 0.054 0.000 1.031 563 T CB 1.377 70.234 68.868 -0.017 0.000 1.001 563 T HN 0.822 nan 8.240 nan 0.000 0.531 564 V N 1.801 121.801 119.914 0.143 0.000 2.343 564 V HA -0.132 3.988 4.120 0.000 0.000 0.247 564 V C 3.096 179.250 176.094 0.100 0.000 1.051 564 V CA 2.254 64.711 62.300 0.262 0.000 1.036 564 V CB -1.694 30.210 31.823 0.136 0.000 0.654 564 V HN 1.089 nan 8.190 nan 0.000 0.451 565 A N 0.022 122.754 122.820 -0.146 0.000 1.908 565 A HA -0.309 4.011 4.320 0.000 0.000 0.218 565 A C 2.206 179.767 177.584 -0.039 0.000 1.181 565 A CA 2.283 54.188 52.037 -0.221 0.000 0.627 565 A CB -0.561 18.121 19.000 -0.530 0.000 0.818 565 A HN 0.571 nan 8.150 nan 0.000 0.445 566 Q N -0.822 118.973 119.800 -0.009 0.000 2.172 566 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 566 Q C 1.811 177.821 176.000 0.017 0.000 0.964 566 Q CA 2.147 57.929 55.803 -0.035 0.000 0.855 566 Q CB -0.649 28.029 28.738 -0.099 0.000 0.918 566 Q HN 0.842 nan 8.270 nan 0.000 0.444 567 H N -1.172 117.921 119.070 0.039 0.000 2.403 567 H HA -0.016 4.540 4.556 0.000 0.000 0.298 567 H C 1.214 176.696 175.328 0.257 0.000 1.059 567 H CA 1.338 57.484 56.048 0.164 0.000 1.363 567 H CB 0.507 30.306 29.762 0.061 0.000 1.410 567 H HN 0.354 nan 8.280 nan 0.000 0.528 568 T N 0.924 115.599 114.554 0.202 0.000 2.685 568 T HA -0.202 4.148 4.350 0.000 0.000 0.268 568 T C 1.887 176.690 174.700 0.172 0.000 1.034 568 T CA 1.504 63.704 62.100 0.167 0.000 1.149 568 T CB -0.334 68.611 68.868 0.127 0.000 0.860 568 T HN 0.381 nan 8.240 nan 0.000 0.449 569 N N 0.959 119.746 118.700 0.145 0.000 2.166 569 N HA -0.062 4.678 4.740 0.000 0.000 0.186 569 N C 2.119 177.775 175.510 0.243 0.000 1.019 569 N CA 1.542 54.700 53.050 0.180 0.000 0.856 569 N CB -0.729 37.866 38.487 0.180 0.000 0.993 569 N HN 0.485 nan 8.380 nan 0.000 0.426 570 G N -1.326 107.607 108.800 0.222 0.000 2.408 570 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 570 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 570 G C 1.283 176.187 174.900 0.006 0.000 1.150 570 G CA 0.452 45.697 45.100 0.242 0.000 0.776 570 G HN 0.353 nan 8.290 nan 0.000 0.542 571 Y N 0.309 120.626 120.300 0.029 0.000 2.314 571 Y HA -0.047 4.503 4.550 -0.000 0.000 0.293 571 Y C 2.978 178.926 175.900 0.080 0.000 1.129 571 Y CA 1.188 59.292 58.100 0.007 0.000 1.201 571 Y CB -0.055 38.374 38.460 -0.052 0.000 0.999 571 Y HN 0.166 nan 8.280 nan 0.000 0.541 572 Q N 0.381 120.319 119.800 0.231 0.000 2.112 572 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 572 Q C 1.691 177.813 176.000 0.204 0.000 0.987 572 Q CA 2.427 58.355 55.803 0.209 0.000 0.858 572 Q CB -0.410 28.440 28.738 0.187 0.000 0.905 572 Q HN 0.420 nan 8.270 nan 0.000 0.420 573 T N 1.795 116.479 114.554 0.217 0.000 2.737 573 T HA -0.055 4.295 4.350 0.000 0.000 0.265 573 T C 2.052 176.847 174.700 0.159 0.000 1.038 573 T CA 1.223 63.467 62.100 0.239 0.000 1.144 573 T CB -0.221 68.845 68.868 0.331 0.000 0.866 573 T HN 0.243 nan 8.240 nan 0.000 0.434 574 L N 0.735 121.976 121.223 0.031 0.000 2.083 574 L HA -0.105 4.235 4.340 0.000 0.000 0.209 574 L C 2.972 179.850 176.870 0.014 0.000 1.083 574 L CA 1.242 56.030 54.840 -0.086 0.000 0.752 574 L CB -0.583 41.328 42.059 -0.246 0.000 0.899 574 L HN 0.255 nan 8.230 nan 0.000 0.433 575 A N -0.422 122.461 122.820 0.105 0.000 1.968 575 A HA -0.178 4.142 4.320 0.000 0.000 0.217 575 A C 1.732 179.498 177.584 0.303 0.000 1.169 575 A CA 1.425 53.597 52.037 0.225 0.000 0.638 575 A CB -0.513 18.674 19.000 0.312 0.000 0.812 575 A HN 0.405 nan 8.150 nan 0.000 0.446 576 N N 0.448 119.282 118.700 0.222 0.000 2.410 576 N HA 0.038 4.778 4.740 0.000 0.000 0.231 576 N C -0.401 175.213 175.510 0.174 0.000 1.172 576 N CA 0.248 53.421 53.050 0.205 0.000 0.849 576 N CB -1.181 37.431 38.487 0.208 0.000 1.116 576 N HN 0.503 nan 8.380 nan 0.000 0.485 577 N N -1.074 117.729 118.700 0.171 0.000 2.747 577 N HA -0.220 4.520 4.740 0.000 0.000 0.249 577 N C 0.555 176.147 175.510 0.137 0.000 1.107 577 N CA 0.401 53.534 53.050 0.138 0.000 0.707 577 N CB -1.222 37.342 38.487 0.128 0.000 1.054 577 N HN 0.444 nan 8.380 nan 0.000 0.555 578 G N -2.326 106.570 108.800 0.161 0.000 2.176 578 G HA2 -0.241 3.719 3.960 0.000 0.000 0.232 578 G HA3 -0.241 3.719 3.960 0.000 0.000 0.232 578 G C -0.080 174.947 174.900 0.213 0.000 0.986 578 G CA 0.043 45.288 45.100 0.241 0.000 0.643 578 G HN 0.390 nan 8.290 nan 0.000 0.522 579 V N 1.611 121.614 119.914 0.148 0.000 2.328 579 V HA 0.536 4.656 4.120 0.000 0.000 0.278 579 V C 0.143 176.256 176.094 0.033 0.000 1.021 579 V CA -1.047 61.294 62.300 0.069 0.000 0.838 579 V CB 1.079 32.914 31.823 0.019 0.000 0.999 579 V HN 0.388 nan 8.190 nan 0.000 0.447 580 Y N 5.974 126.210 120.300 -0.107 0.000 2.346 580 Y HA 0.396 4.946 4.550 0.000 0.000 0.330 580 Y C 0.145 175.864 175.900 -0.302 0.000 1.178 580 Y CA 0.070 58.109 58.100 -0.102 0.000 1.331 580 Y CB 0.459 38.916 38.460 -0.004 0.000 1.253 580 Y HN 0.615 nan 8.280 nan 0.000 0.529 581 H N 5.032 123.854 119.070 -0.412 0.000 2.717 581 H HA 0.190 4.746 4.556 0.000 0.000 0.366 581 H C -1.189 173.669 175.328 -0.783 0.000 1.132 581 H CA -0.881 54.901 56.048 -0.443 0.000 1.180 581 H CB 1.978 31.691 29.762 -0.082 0.000 1.678 581 H HN 0.705 nan 8.280 nan 0.000 0.537 582 Q N 3.047 122.618 119.800 -0.382 0.000 2.267 582 Q HA 0.149 4.489 4.340 0.000 0.000 0.255 582 Q C -0.170 175.903 176.000 0.123 0.000 0.923 582 Q CA -0.793 54.855 55.803 -0.257 0.000 0.925 582 Q CB 0.925 29.698 28.738 0.059 0.000 1.195 582 Q HN 0.619 nan 8.270 nan 0.000 0.417 583 K N 3.852 124.303 120.400 0.085 0.000 2.494 583 K HA -0.027 4.293 4.320 0.000 0.000 0.273 583 K C -0.778 175.947 176.600 0.208 0.000 0.970 583 K CA 0.315 56.659 56.287 0.095 0.000 0.963 583 K CB 0.335 32.874 32.500 0.066 0.000 0.913 583 K HN 0.833 nan 8.250 nan 0.000 0.502 584 H N -1.298 117.740 119.070 -0.053 0.000 3.093 584 H HA 0.081 4.637 4.556 -0.000 0.000 0.312 584 H C -0.507 174.794 175.328 -0.045 0.000 1.213 584 H CA -0.468 55.553 56.048 -0.045 0.000 1.366 584 H CB 0.605 30.295 29.762 -0.120 0.000 1.998 584 H HN 0.471 nan 8.280 nan 0.000 0.522 585 V N -0.028 119.889 119.914 0.006 0.000 3.644 585 V HA 0.315 4.435 4.120 0.000 0.000 0.267 585 V C 0.210 176.322 176.094 0.029 0.000 1.277 585 V CA 0.238 62.513 62.300 -0.042 0.000 1.096 585 V CB 0.110 31.890 31.823 -0.072 0.000 0.828 585 V HN 0.447 nan 8.190 nan 0.000 0.446 586 I N 2.757 123.402 120.570 0.125 0.000 2.321 586 I HA 0.417 4.587 4.170 0.000 0.000 0.291 586 I C 1.382 177.698 176.117 0.333 0.000 0.998 586 I CA 0.634 62.035 61.300 0.168 0.000 1.227 586 I CB 1.221 39.276 38.000 0.092 0.000 1.368 586 I HN 0.420 nan 8.210 nan 0.000 0.466 587 S N 4.943 120.787 115.700 0.241 0.000 2.475 587 S HA 0.196 4.667 4.470 0.000 0.000 0.224 587 S C 0.630 175.311 174.600 0.135 0.000 1.042 587 S CA 0.024 58.350 58.200 0.210 0.000 0.935 587 S CB 0.673 63.954 63.200 0.134 0.000 0.801 587 S HN 0.655 nan 8.310 nan 0.000 0.509 588 K N 0.082 120.565 120.400 0.138 0.000 2.557 588 K HA 0.584 4.904 4.320 0.000 0.000 0.257 588 K C -2.190 174.482 176.600 0.120 0.000 0.933 588 K CA -0.574 55.759 56.287 0.077 0.000 0.820 588 K CB 1.733 34.240 32.500 0.012 0.000 1.330 588 K HN 0.238 nan 8.250 nan 0.000 0.432 589 I N 2.400 123.049 120.570 0.131 0.000 2.433 589 I HA 0.377 4.547 4.170 0.000 0.000 0.292 589 I C -0.689 175.473 176.117 0.075 0.000 1.001 589 I CA -0.657 60.693 61.300 0.083 0.000 1.119 589 I CB 2.080 40.093 38.000 0.021 0.000 1.289 589 I HN 0.499 nan 8.210 nan 0.000 0.438 590 E N 4.122 124.397 120.200 0.124 0.000 2.256 590 E HA 0.627 4.977 4.350 0.000 0.000 0.268 590 E C -0.835 175.848 176.600 0.139 0.000 0.877 590 E CA -0.818 55.641 56.400 0.098 0.000 0.757 590 E CB 2.431 32.156 29.700 0.041 0.000 1.183 590 E HN 0.719 nan 8.360 nan 0.000 0.418 591 A N 2.035 124.894 122.820 0.066 0.000 2.386 591 A HA 0.437 4.757 4.320 0.000 0.000 0.248 591 A C 1.419 178.881 177.584 -0.202 0.000 1.082 591 A CA 0.601 52.545 52.037 -0.154 0.000 0.789 591 A CB 0.401 19.356 19.000 -0.075 0.000 1.025 591 A HN 0.870 nan 8.150 nan 0.000 0.490 592 A N 1.070 123.687 122.820 -0.339 0.000 1.984 592 A HA -0.277 4.043 4.320 0.000 0.000 0.224 592 A C 1.309 178.827 177.584 -0.110 0.000 1.256 592 A CA 2.391 54.305 52.037 -0.204 0.000 0.679 592 A CB -0.762 18.115 19.000 -0.205 0.000 0.829 592 A HN 0.918 nan 8.150 nan 0.000 0.483 593 D N -2.881 117.463 120.400 -0.093 0.000 2.427 593 D HA 0.347 4.988 4.640 0.000 0.000 0.224 593 D C 1.025 177.303 176.300 -0.037 0.000 1.157 593 D CA 0.677 54.644 54.000 -0.054 0.000 0.828 593 D CB -0.287 40.486 40.800 -0.045 0.000 0.974 593 D HN 0.932 nan 8.370 nan 0.000 0.498 594 G N 2.004 110.782 108.800 -0.037 0.000 2.162 594 G HA2 -0.343 3.617 3.960 0.000 0.000 0.260 594 G HA3 -0.343 3.617 3.960 0.000 0.000 0.260 594 G C 0.326 175.219 174.900 -0.012 0.000 0.976 594 G CA 0.201 45.289 45.100 -0.020 0.000 0.655 594 G HN 0.514 nan 8.290 nan 0.000 0.533 595 R N -0.327 120.167 120.500 -0.010 0.000 2.531 595 R HA 0.643 4.983 4.340 0.000 0.000 0.273 595 R C 0.095 176.394 176.300 -0.002 0.000 1.070 595 R CA -0.794 55.305 56.100 -0.002 0.000 1.112 595 R CB 0.828 31.134 30.300 0.010 0.000 1.049 595 R HN 0.185 nan 8.270 nan 0.000 0.508 596 V N 3.524 123.431 119.914 -0.012 0.000 2.389 596 V HA 0.015 4.135 4.120 0.000 0.000 0.264 596 V C 1.497 177.551 176.094 -0.066 0.000 1.049 596 V CA -0.243 62.039 62.300 -0.030 0.000 0.932 596 V CB 0.757 32.554 31.823 -0.043 0.000 1.011 596 V HN 0.818 nan 8.190 nan 0.000 0.475 597 V N 2.759 122.596 119.914 -0.129 0.000 2.407 597 V HA 0.060 4.180 4.120 0.000 0.000 0.245 597 V C 0.472 176.475 176.094 -0.151 0.000 1.041 597 V CA 0.927 62.989 62.300 -0.397 0.000 1.040 597 V CB -0.634 30.703 31.823 -0.811 0.000 0.671 597 V HN 0.694 nan 8.190 nan 0.000 0.455 598 Y N 0.866 121.069 120.300 -0.162 0.000 2.470 598 Y HA 0.662 5.212 4.550 0.000 0.000 0.341 598 Y C -0.834 175.045 175.900 -0.035 0.000 1.021 598 Y CA -0.906 57.152 58.100 -0.071 0.000 1.025 598 Y CB 1.649 40.073 38.460 -0.059 0.000 1.266 598 Y HN 0.423 nan 8.280 nan 0.000 0.448 599 E N 5.497 125.122 120.200 -0.958 0.000 2.343 599 E HA 0.186 4.536 4.350 0.000 0.000 0.278 599 E C -2.069 173.934 176.600 -0.995 0.000 0.910 599 E CA -0.939 54.947 56.400 -0.857 0.000 0.757 599 E CB 1.577 31.081 29.700 -0.328 0.000 1.218 599 E HN 0.724 nan 8.360 nan 0.000 0.435 600 Y N 2.997 122.856 120.300 -0.735 0.000 2.721 600 Y HA 0.003 4.553 4.550 -0.000 0.000 0.329 600 Y C -0.268 175.453 175.900 -0.298 0.000 1.211 600 Y CA 0.747 58.586 58.100 -0.435 0.000 1.512 600 Y CB 0.705 38.953 38.460 -0.354 0.000 1.249 600 Y HN 0.590 nan 8.280 nan 0.000 0.549 601 Q N 6.221 125.395 119.800 -1.044 0.000 2.381 601 Q HA 0.191 4.531 4.340 0.000 0.000 0.263 601 Q C -1.123 174.396 176.000 -0.801 0.000 1.030 601 Q CA -0.614 54.770 55.803 -0.698 0.000 0.772 601 Q CB 0.668 29.184 28.738 -0.369 0.000 1.232 601 Q HN 0.704 nan 8.270 nan 0.000 0.476 602 D N 3.825 123.929 120.400 -0.494 0.000 2.502 602 D HA -0.063 4.577 4.640 0.000 0.000 0.249 602 D C -0.771 175.492 176.300 -0.062 0.000 1.188 602 D CA 0.726 54.635 54.000 -0.152 0.000 0.890 602 D CB 0.649 41.478 40.800 0.049 0.000 1.140 602 D HN 0.510 nan 8.370 nan 0.000 0.505 603 K N 5.617 126.023 120.400 0.011 0.000 2.753 603 K HA 0.263 4.584 4.320 0.000 0.000 0.185 603 K C -2.557 174.097 176.600 0.089 0.000 1.071 603 K CA -1.520 54.788 56.287 0.035 0.000 0.999 603 K CB 1.381 33.883 32.500 0.003 0.000 1.244 603 K HN 0.256 nan 8.250 nan 0.000 0.594 604 P HA 0.018 nan 4.420 nan 0.000 0.271 604 P C -0.412 176.893 177.300 0.008 0.000 1.220 604 P CA -0.310 62.767 63.100 -0.039 0.000 0.768 604 P CB 1.169 32.885 31.700 0.027 0.000 0.848 605 V N 0.856 120.795 119.914 0.040 0.000 2.487 605 V HA 0.421 4.541 4.120 0.000 0.000 0.298 605 V C -0.198 175.917 176.094 0.035 0.000 1.028 605 V CA -1.165 61.167 62.300 0.053 0.000 0.860 605 V CB 1.707 33.568 31.823 0.063 0.000 0.991 605 V HN 0.318 nan 8.190 nan 0.000 0.427 606 Q N 3.325 123.132 119.800 0.013 0.000 2.325 606 Q HA 0.357 4.697 4.340 0.000 0.000 0.256 606 Q C 0.292 176.280 176.000 -0.021 0.000 1.142 606 Q CA 0.377 56.194 55.803 0.023 0.000 0.902 606 Q CB 1.041 29.794 28.738 0.025 0.000 1.350 606 Q HN 0.816 nan 8.270 nan 0.000 0.449 607 V N 4.289 124.198 119.914 -0.010 0.000 2.500 607 V HA 0.026 4.147 4.120 0.000 0.000 0.243 607 V C -0.043 175.939 176.094 -0.187 0.000 1.039 607 V CA 0.816 63.020 62.300 -0.160 0.000 1.053 607 V CB -0.248 31.473 31.823 -0.170 0.000 0.695 607 V HN 0.624 nan 8.190 nan 0.000 0.463 608 Y N 0.210 120.591 120.300 0.134 0.000 2.468 608 Y HA 0.515 5.065 4.550 0.000 0.000 0.342 608 Y C 0.813 176.778 175.900 0.108 0.000 1.021 608 Y CA -0.817 57.382 58.100 0.165 0.000 1.079 608 Y CB 1.433 39.961 38.460 0.114 0.000 1.226 608 Y HN 0.064 nan 8.280 nan 0.000 0.460 609 S N 1.148 117.003 115.700 0.257 0.000 2.576 609 S HA 0.063 4.533 4.470 0.000 0.000 0.272 609 S C 0.876 175.568 174.600 0.153 0.000 1.352 609 S CA -0.517 57.782 58.200 0.165 0.000 1.021 609 S CB 0.896 64.181 63.200 0.142 0.000 0.887 609 S HN 0.833 nan 8.310 nan 0.000 0.542 610 K N 1.420 121.889 120.400 0.114 0.000 2.152 610 K HA -0.124 4.196 4.320 0.000 0.000 0.206 610 K C 2.385 179.032 176.600 0.078 0.000 1.048 610 K CA 1.358 57.702 56.287 0.095 0.000 0.933 610 K CB -0.634 31.913 32.500 0.079 0.000 0.721 610 K HN 0.751 nan 8.250 nan 0.000 0.447 611 A N 0.858 123.727 122.820 0.082 0.000 1.855 611 A HA -0.157 4.163 4.320 0.000 0.000 0.215 611 A C 2.223 179.843 177.584 0.060 0.000 1.191 611 A CA 2.007 54.086 52.037 0.070 0.000 0.613 611 A CB -1.013 18.041 19.000 0.090 0.000 0.829 611 A HN 0.231 nan 8.150 nan 0.000 0.442 612 T N 0.527 115.132 114.554 0.085 0.000 2.597 612 T HA -0.176 4.174 4.350 0.000 0.000 0.267 612 T C 2.207 176.898 174.700 -0.015 0.000 1.053 612 T CA 2.260 64.396 62.100 0.060 0.000 1.165 612 T CB -0.595 68.361 68.868 0.147 0.000 0.863 612 T HN 0.625 nan 8.240 nan 0.000 0.427 613 A N 1.469 124.291 122.820 0.004 0.000 1.898 613 A HA -0.100 4.220 4.320 0.000 0.000 0.216 613 A C 2.623 180.171 177.584 -0.061 0.000 1.181 613 A CA 2.244 54.238 52.037 -0.071 0.000 0.620 613 A CB -1.208 17.790 19.000 -0.004 0.000 0.819 613 A HN 0.664 nan 8.150 nan 0.000 0.442 614 T N -1.629 112.918 114.554 -0.010 0.000 2.915 614 T HA -0.030 4.320 4.350 0.000 0.000 0.269 614 T C 1.761 176.425 174.700 -0.059 0.000 1.071 614 T CA 1.369 63.459 62.100 -0.016 0.000 1.132 614 T CB -0.547 68.329 68.868 0.012 0.000 0.878 614 T HN 0.329 nan 8.240 nan 0.000 0.479 615 I N 0.296 120.835 120.570 -0.052 0.000 2.252 615 I HA -0.058 4.112 4.170 0.000 0.000 0.245 615 I C 2.658 178.744 176.117 -0.052 0.000 1.102 615 I CA 1.254 62.531 61.300 -0.039 0.000 1.385 615 I CB -0.398 37.606 38.000 0.007 0.000 1.064 615 I HN 0.202 nan 8.210 nan 0.000 0.414 616 M N 0.700 120.245 119.600 -0.091 0.000 2.108 616 M HA -0.259 4.221 4.480 0.000 0.000 0.261 616 M C 2.244 178.462 176.300 -0.137 0.000 1.066 616 M CA 1.939 57.167 55.300 -0.120 0.000 1.107 616 M CB -0.453 32.034 32.600 -0.188 0.000 1.356 616 M HN 0.140 nan 8.290 nan 0.000 0.406 617 Q N -0.928 118.757 119.800 -0.190 0.000 2.112 617 Q HA -0.153 4.187 4.340 0.000 0.000 0.206 617 Q C 2.040 177.930 176.000 -0.183 0.000 0.987 617 Q CA 1.624 57.236 55.803 -0.318 0.000 0.858 617 Q CB -0.807 27.677 28.738 -0.422 0.000 0.905 617 Q HN 0.744 nan 8.270 nan 0.000 0.420 618 G N 0.471 109.219 108.800 -0.086 0.000 2.422 618 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 618 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 618 G C 1.366 176.268 174.900 0.002 0.000 1.140 618 G CA 0.441 45.532 45.100 -0.015 0.000 0.775 618 G HN 0.154 nan 8.290 nan 0.000 0.545 619 L N -0.120 121.093 121.223 -0.016 0.000 2.027 619 L HA 0.072 4.412 4.340 0.000 0.000 0.206 619 L C 2.702 179.564 176.870 -0.013 0.000 1.074 619 L CA 0.584 55.416 54.840 -0.013 0.000 0.745 619 L CB -0.322 41.714 42.059 -0.038 0.000 0.898 619 L HN 0.147 nan 8.230 nan 0.000 0.433 620 L N -0.551 120.651 121.223 -0.035 0.000 2.465 620 L HA -0.118 4.222 4.340 0.000 0.000 0.224 620 L C 2.644 179.510 176.870 -0.006 0.000 1.145 620 L CA 0.504 55.333 54.840 -0.017 0.000 0.834 620 L CB -0.482 41.566 42.059 -0.018 0.000 0.944 620 L HN 0.261 nan 8.230 nan 0.000 0.451 621 R N 0.524 121.019 120.500 -0.008 0.000 2.092 621 R HA -0.130 4.210 4.340 0.000 0.000 0.231 621 R C 1.908 178.241 176.300 0.055 0.000 1.119 621 R CA 1.181 57.309 56.100 0.045 0.000 0.970 621 R CB 0.134 30.469 30.300 0.059 0.000 0.864 621 R HN 0.383 nan 8.270 nan 0.000 0.440 622 E N -0.063 120.159 120.200 0.037 0.000 2.230 622 E HA -0.070 4.280 4.350 0.000 0.000 0.192 622 E C 2.059 178.673 176.600 0.023 0.000 0.987 622 E CA 0.555 56.976 56.400 0.035 0.000 0.841 622 E CB 0.139 29.859 29.700 0.033 0.000 0.783 622 E HN 0.160 nan 8.360 nan 0.000 0.481 623 V N 2.115 122.041 119.914 0.020 0.000 2.282 623 V HA -0.285 3.835 4.120 0.000 0.000 0.249 623 V C 2.422 178.521 176.094 0.008 0.000 1.057 623 V CA 1.684 63.990 62.300 0.010 0.000 1.032 623 V CB -0.481 31.352 31.823 0.017 0.000 0.645 623 V HN 0.234 nan 8.190 nan 0.000 0.447 624 L N 0.311 121.552 121.223 0.030 0.000 2.044 624 L HA -0.102 4.238 4.340 0.000 0.000 0.205 624 L C 2.660 179.551 176.870 0.035 0.000 1.075 624 L CA 1.879 56.748 54.840 0.048 0.000 0.747 624 L CB -0.736 41.388 42.059 0.109 0.000 0.903 624 L HN 0.552 nan 8.230 nan 0.000 0.435 625 S N -0.918 114.806 115.700 0.041 0.000 2.461 625 S HA -0.119 4.352 4.470 0.000 0.000 0.228 625 S C 2.092 176.695 174.600 0.005 0.000 1.005 625 S CA 0.779 58.993 58.200 0.023 0.000 0.942 625 S CB -0.377 62.846 63.200 0.040 0.000 0.776 625 S HN 0.488 nan 8.310 nan 0.000 0.514 626 S N 1.899 117.600 115.700 0.002 0.000 2.447 626 S HA -0.022 4.449 4.470 0.000 0.000 0.233 626 S C 1.036 175.614 174.600 -0.037 0.000 1.006 626 S CA 0.620 58.810 58.200 -0.016 0.000 0.957 626 S CB -0.741 62.442 63.200 -0.029 0.000 0.773 626 S HN 0.623 nan 8.310 nan 0.000 0.507 627 R N -0.786 119.694 120.500 -0.034 0.000 3.863 627 R HA -0.141 4.199 4.340 0.000 0.000 0.313 627 R C 0.774 177.065 176.300 -0.016 0.000 1.202 627 R CA 0.618 56.697 56.100 -0.035 0.000 0.852 627 R CB -2.548 27.726 30.300 -0.042 0.000 1.292 627 R HN 0.423 nan 8.270 nan 0.000 0.519 628 V N -0.288 119.568 119.914 -0.096 0.000 2.307 628 V HA -0.206 3.914 4.120 0.000 0.000 0.245 628 V C 2.320 178.404 176.094 -0.018 0.000 1.045 628 V CA 2.437 64.621 62.300 -0.192 0.000 1.024 628 V CB -0.269 31.189 31.823 -0.608 0.000 0.651 628 V HN 0.682 nan 8.190 nan 0.000 0.449 629 T N -4.386 110.171 114.554 0.006 0.000 3.069 629 T HA 0.162 4.512 4.350 0.000 0.000 0.252 629 T C 0.590 175.399 174.700 0.182 0.000 1.053 629 T CA 0.621 62.791 62.100 0.117 0.000 0.964 629 T CB 0.361 69.251 68.868 0.037 0.000 1.005 629 T HN 0.426 nan 8.240 nan 0.000 0.532 630 T N 1.132 115.709 114.554 0.038 0.000 2.956 630 T HA 0.454 4.804 4.350 0.000 0.000 0.312 630 T C 0.504 175.053 174.700 -0.252 0.000 1.151 630 T CA -0.020 62.006 62.100 -0.124 0.000 1.024 630 T CB 1.902 70.736 68.868 -0.057 0.000 1.140 630 T HN 0.141 nan 8.240 nan 0.000 0.473 631 T N 1.922 116.217 114.554 -0.433 0.000 3.163 631 T HA 0.160 4.510 4.350 0.000 0.000 0.252 631 T C 1.538 176.096 174.700 -0.237 0.000 1.056 631 T CA -0.181 61.693 62.100 -0.375 0.000 0.947 631 T CB -0.657 67.922 68.868 -0.482 0.000 1.016 631 T HN 0.580 nan 8.240 nan 0.000 0.554 632 F N 2.974 122.745 119.950 -0.299 0.000 2.091 632 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 632 F C 2.088 177.690 175.800 -0.330 0.000 1.103 632 F CA 1.377 59.191 58.000 -0.311 0.000 1.228 632 F CB -0.110 38.704 39.000 -0.310 0.000 0.984 632 F HN -0.015 nan 8.300 nan 0.000 0.477 633 K N 0.446 120.588 120.400 -0.431 0.000 2.097 633 K HA -0.093 4.227 4.320 0.000 0.000 0.206 633 K C 2.262 178.601 176.600 -0.435 0.000 1.049 633 K CA 1.349 57.333 56.287 -0.504 0.000 0.933 633 K CB -0.710 31.667 32.500 -0.205 0.000 0.717 633 K HN 0.315 nan 8.250 nan 0.000 0.442 634 S N 1.812 117.319 115.700 -0.321 0.000 2.356 634 S HA -0.104 4.366 4.470 0.000 0.000 0.223 634 S C 1.659 176.065 174.600 -0.323 0.000 1.032 634 S CA 1.141 59.180 58.200 -0.267 0.000 1.005 634 S CB -0.272 62.808 63.200 -0.200 0.000 0.867 634 S HN 0.329 nan 8.310 nan 0.000 0.449 635 N N 1.657 120.127 118.700 -0.384 0.000 2.069 635 N HA -0.089 4.651 4.740 0.000 0.000 0.191 635 N C 1.707 176.915 175.510 -0.504 0.000 1.031 635 N CA 0.915 53.726 53.050 -0.399 0.000 0.852 635 N CB -0.737 37.519 38.487 -0.384 0.000 1.018 635 N HN 0.225 nan 8.380 nan 0.000 0.423 636 L N 1.674 122.465 121.223 -0.721 0.000 2.046 636 L HA -0.088 4.253 4.340 0.000 0.000 0.208 636 L C 2.029 178.621 176.870 -0.463 0.000 1.077 636 L CA 1.731 56.134 54.840 -0.728 0.000 0.747 636 L CB -1.253 40.123 42.059 -1.138 0.000 0.896 636 L HN 0.100 nan 8.230 nan 0.000 0.432 637 T N -1.007 113.310 114.554 -0.395 0.000 2.759 637 T HA -0.148 4.202 4.350 0.000 0.000 0.269 637 T C 1.919 176.491 174.700 -0.214 0.000 1.042 637 T CA 1.659 63.606 62.100 -0.254 0.000 1.140 637 T CB -0.267 68.480 68.868 -0.202 0.000 0.864 637 T HN 0.421 nan 8.240 nan 0.000 0.455 638 S N 1.079 116.640 115.700 -0.231 0.000 2.406 638 S HA 0.143 4.613 4.470 0.000 0.000 0.228 638 S C 1.991 176.473 174.600 -0.197 0.000 1.020 638 S CA 0.573 58.660 58.200 -0.187 0.000 0.965 638 S CB -0.276 62.820 63.200 -0.173 0.000 0.798 638 S HN 0.384 nan 8.310 nan 0.000 0.488 639 L N 0.640 121.698 121.223 -0.275 0.000 2.095 639 L HA 0.122 4.462 4.340 0.000 0.000 0.204 639 L C 0.916 177.673 176.870 -0.189 0.000 1.080 639 L CA 0.794 55.472 54.840 -0.270 0.000 0.759 639 L CB -0.248 41.563 42.059 -0.413 0.000 0.914 639 L HN 0.323 nan 8.230 nan 0.000 0.439 640 N N -1.213 117.373 118.700 -0.190 0.000 2.932 640 N HA 0.121 4.861 4.740 0.000 0.000 0.242 640 N C -2.377 173.066 175.510 -0.113 0.000 1.351 640 N CA -0.807 52.169 53.050 -0.124 0.000 0.785 640 N CB 1.541 39.965 38.487 -0.104 0.000 1.501 640 N HN -0.280 nan 8.380 nan 0.000 0.584 641 P HA -0.122 nan 4.420 nan 0.000 0.215 641 P C 1.044 178.319 177.300 -0.042 0.000 1.153 641 P CA 1.430 64.486 63.100 -0.073 0.000 0.853 641 P CB 0.294 31.959 31.700 -0.058 0.000 0.788 642 T N -0.095 114.444 114.554 -0.025 0.000 2.737 642 T HA -0.129 4.221 4.350 0.000 0.000 0.265 642 T C 1.637 176.350 174.700 0.022 0.000 1.038 642 T CA 0.954 63.053 62.100 -0.001 0.000 1.144 642 T CB -0.936 67.935 68.868 0.004 0.000 0.866 642 T HN -0.000 nan 8.240 nan 0.000 0.434 643 L N 1.485 122.722 121.223 0.023 0.000 2.201 643 L HA 0.215 4.555 4.340 0.000 0.000 0.212 643 L C 2.447 179.418 176.870 0.168 0.000 1.105 643 L CA 1.307 56.192 54.840 0.075 0.000 0.775 643 L CB -1.006 41.078 42.059 0.042 0.000 0.913 643 L HN 0.225 nan 8.230 nan 0.000 0.440 644 A N -0.893 121.953 122.820 0.044 0.000 2.119 644 A HA -0.100 4.220 4.320 0.000 0.000 0.217 644 A C 1.752 179.435 177.584 0.164 0.000 1.153 644 A CA 1.178 53.239 52.037 0.040 0.000 0.692 644 A CB -0.588 18.336 19.000 -0.127 0.000 0.799 644 A HN 0.562 nan 8.150 nan 0.000 0.458 645 N N 0.328 119.088 118.700 0.101 0.000 2.398 645 N HA 0.199 4.939 4.740 0.000 0.000 0.188 645 N C 0.722 176.265 175.510 0.054 0.000 1.122 645 N CA 0.698 53.792 53.050 0.074 0.000 0.866 645 N CB -0.214 38.289 38.487 0.027 0.000 0.970 645 N HN 0.496 nan 8.380 nan 0.000 0.462 646 A N 0.535 123.378 122.820 0.038 0.000 2.387 646 A HA 0.036 4.356 4.320 0.000 0.000 0.251 646 A C 0.325 177.793 177.584 -0.193 0.000 1.113 646 A CA -0.073 51.851 52.037 -0.188 0.000 0.794 646 A CB 0.107 18.833 19.000 -0.457 0.000 1.069 646 A HN 0.072 nan 8.150 nan 0.000 0.506 647 D N 0.201 120.443 120.400 -0.263 0.000 2.639 647 D HA 0.286 4.926 4.640 0.000 0.000 0.233 647 D C -1.064 175.280 176.300 0.073 0.000 1.161 647 D CA -0.183 53.801 54.000 -0.028 0.000 1.003 647 D CB -0.439 40.357 40.800 -0.006 0.000 1.034 647 D HN 0.351 nan 8.370 nan 0.000 0.514 648 W N 3.427 124.817 121.300 0.149 0.000 2.238 648 W HA 0.326 4.986 4.660 0.000 0.000 0.321 648 W C 0.826 177.430 176.519 0.142 0.000 1.293 648 W CA -0.707 56.734 57.345 0.161 0.000 1.204 648 W CB 0.445 29.989 29.460 0.141 0.000 1.167 648 W HN 0.183 nan 8.180 nan 0.000 0.553 649 I N 1.042 121.812 120.570 0.334 0.000 3.042 649 I HA 1.081 5.251 4.170 0.000 0.000 0.310 649 I C 0.103 176.272 176.117 0.086 0.000 1.117 649 I CA -1.147 60.220 61.300 0.112 0.000 1.003 649 I CB 2.447 40.359 38.000 -0.146 0.000 1.228 649 I HN 0.533 nan 8.210 nan 0.000 0.443 650 G N 1.944 110.751 108.800 0.012 0.000 2.368 650 G HA2 0.512 4.473 3.960 0.000 0.000 0.293 650 G HA3 0.512 4.473 3.960 0.000 0.000 0.293 650 G C -2.313 172.541 174.900 -0.076 0.000 1.467 650 G CA -0.861 44.193 45.100 -0.076 0.000 0.804 650 G HN 0.831 nan 8.290 nan 0.000 0.535 651 K N -0.181 120.119 120.400 -0.166 0.000 2.523 651 K HA 0.766 5.086 4.320 0.000 0.000 0.257 651 K C 0.160 176.708 176.600 -0.087 0.000 0.932 651 K CA -0.190 56.050 56.287 -0.078 0.000 0.812 651 K CB 1.806 34.313 32.500 0.013 0.000 1.326 651 K HN 0.977 nan 8.250 nan 0.000 0.433 652 T N -0.581 113.968 114.554 -0.008 0.000 2.912 652 T HA 0.879 5.229 4.350 0.000 0.000 0.280 652 T C 0.233 174.986 174.700 0.090 0.000 0.989 652 T CA -0.651 61.469 62.100 0.035 0.000 0.995 652 T CB 1.621 70.512 68.868 0.039 0.000 1.077 652 T HN 0.619 nan 8.240 nan 0.000 0.531 653 G N -0.408 108.486 108.800 0.157 0.000 2.718 653 G HA2 0.586 4.546 3.960 0.000 0.000 0.295 653 G HA3 0.586 4.546 3.960 0.000 0.000 0.295 653 G C -1.366 173.657 174.900 0.205 0.000 1.421 653 G CA -0.793 44.411 45.100 0.173 0.000 0.902 653 G HN 0.828 nan 8.290 nan 0.000 0.501 654 T N 1.015 115.657 114.554 0.146 0.000 2.928 654 T HA 0.585 4.935 4.350 0.000 0.000 0.296 654 T C 0.275 175.031 174.700 0.093 0.000 1.000 654 T CA -0.470 61.690 62.100 0.098 0.000 0.989 654 T CB 1.448 70.328 68.868 0.020 0.000 1.005 654 T HN 0.906 nan 8.240 nan 0.000 0.442 655 T N 1.578 116.194 114.554 0.102 0.000 2.913 655 T HA 0.295 4.645 4.350 0.000 0.000 0.297 655 T C 0.229 174.951 174.700 0.038 0.000 1.029 655 T CA -1.056 61.096 62.100 0.086 0.000 1.104 655 T CB 0.288 69.221 68.868 0.108 0.000 0.964 655 T HN 0.538 nan 8.240 nan 0.000 0.532 656 N N 3.488 122.208 118.700 0.032 0.000 2.401 656 N HA 0.111 4.851 4.740 0.000 0.000 0.255 656 N C 0.280 175.796 175.510 0.009 0.000 1.110 656 N CA -0.429 52.627 53.050 0.009 0.000 0.949 656 N CB 0.948 39.448 38.487 0.021 0.000 1.110 656 N HN 0.712 nan 8.380 nan 0.000 0.490 657 Q N 0.368 120.165 119.800 -0.005 0.000 2.474 657 Q HA -0.116 4.224 4.340 0.000 0.000 0.166 657 Q C -1.016 174.980 176.000 -0.006 0.000 0.582 657 Q CA 0.151 55.953 55.803 -0.001 0.000 1.333 657 Q CB -1.070 27.677 28.738 0.015 0.000 0.943 657 Q HN 0.773 nan 8.270 nan 0.000 1.092 658 D N 0.350 120.742 120.400 -0.013 0.000 2.775 658 D HA -0.161 4.479 4.640 0.000 0.000 0.235 658 D C 1.023 177.299 176.300 -0.040 0.000 1.120 658 D CA 1.445 55.425 54.000 -0.034 0.000 0.708 658 D CB -0.758 40.013 40.800 -0.048 0.000 1.084 658 D HN 0.695 nan 8.370 nan 0.000 0.434 659 E N -0.559 119.637 120.200 -0.007 0.000 2.400 659 E HA -0.028 4.322 4.350 0.000 0.000 0.195 659 E C 0.300 176.877 176.600 -0.038 0.000 1.012 659 E CA 0.453 56.846 56.400 -0.011 0.000 0.875 659 E CB 0.398 30.125 29.700 0.044 0.000 0.859 659 E HN 0.342 nan 8.360 nan 0.000 0.498 660 N N 0.988 119.681 118.700 -0.012 0.000 2.310 660 N HA 0.291 5.032 4.740 0.000 0.000 0.292 660 N C -0.688 174.764 175.510 -0.097 0.000 1.049 660 N CA -0.447 52.572 53.050 -0.051 0.000 0.849 660 N CB 1.817 40.462 38.487 0.264 0.000 1.532 660 N HN -0.066 nan 8.380 nan 0.000 0.479 661 M N 1.080 120.476 119.600 -0.341 0.000 2.528 661 M HA 0.498 4.978 4.480 0.000 0.000 0.321 661 M C -1.108 175.072 176.300 -0.200 0.000 1.153 661 M CA -0.238 54.957 55.300 -0.175 0.000 0.951 661 M CB 1.531 34.005 32.600 -0.208 0.000 1.705 661 M HN 0.473 nan 8.290 nan 0.000 0.451 662 W N 2.393 123.679 121.300 -0.024 0.000 2.998 662 W HA 0.704 5.364 4.660 -0.000 0.000 0.335 662 W C -1.288 175.208 176.519 -0.038 0.000 1.110 662 W CA -0.425 56.937 57.345 0.027 0.000 1.230 662 W CB 1.523 31.051 29.460 0.113 0.000 1.405 662 W HN 0.439 nan 8.180 nan 0.000 0.493 663 L N 5.217 126.543 121.223 0.171 0.000 2.404 663 L HA 0.530 4.870 4.340 0.000 0.000 0.272 663 L C -1.202 175.634 176.870 -0.056 0.000 0.980 663 L CA -0.768 54.066 54.840 -0.011 0.000 0.836 663 L CB 1.164 43.160 42.059 -0.106 0.000 1.238 663 L HN 0.338 nan 8.230 nan 0.000 0.408 664 M N 6.433 125.914 119.600 -0.198 0.000 2.294 664 M HA 0.563 5.043 4.480 0.000 0.000 0.335 664 M C -0.809 175.320 176.300 -0.285 0.000 1.079 664 M CA -0.410 54.704 55.300 -0.310 0.000 0.982 664 M CB 1.550 33.638 32.600 -0.854 0.000 1.651 664 M HN 0.404 nan 8.290 nan 0.000 0.437 665 L N 1.280 122.425 121.223 -0.131 0.000 2.388 665 L HA 0.795 5.135 4.340 0.000 0.000 0.264 665 L C -0.254 176.746 176.870 0.216 0.000 0.998 665 L CA -0.442 54.389 54.840 -0.015 0.000 0.817 665 L CB 2.479 44.452 42.059 -0.143 0.000 1.338 665 L HN 0.660 nan 8.230 nan 0.000 0.414 666 S N -0.387 115.502 115.700 0.315 0.000 2.546 666 S HA 0.730 5.200 4.470 0.000 0.000 0.274 666 S C -0.459 174.334 174.600 0.322 0.000 1.121 666 S CA -0.782 57.638 58.200 0.366 0.000 0.887 666 S CB 2.314 65.727 63.200 0.354 0.000 1.094 666 S HN 0.748 nan 8.310 nan 0.000 0.474 667 T N -1.014 113.631 114.554 0.151 0.000 2.937 667 T HA 0.554 4.904 4.350 0.000 0.000 0.283 667 T C -2.417 172.262 174.700 -0.036 0.000 1.012 667 T CA -2.186 59.873 62.100 -0.069 0.000 0.997 667 T CB 0.742 69.426 68.868 -0.307 0.000 1.136 667 T HN 0.164 nan 8.240 nan 0.000 0.551 668 P HA -0.029 nan 4.420 nan 0.000 0.217 668 P C 1.448 178.673 177.300 -0.125 0.000 1.148 668 P CA 1.080 63.853 63.100 -0.546 0.000 0.828 668 P CB 0.101 31.386 31.700 -0.691 0.000 0.783 669 R N -1.557 118.889 120.500 -0.090 0.000 2.080 669 R HA 0.156 4.496 4.340 0.000 0.000 0.222 669 R C 0.696 177.011 176.300 0.025 0.000 1.107 669 R CA 0.654 56.735 56.100 -0.031 0.000 0.980 669 R CB -0.235 30.033 30.300 -0.053 0.000 0.879 669 R HN 0.206 nan 8.270 nan 0.000 0.439 670 L N 0.141 121.416 121.223 0.087 0.000 2.354 670 L HA 0.419 4.759 4.340 0.000 0.000 0.269 670 L C -0.549 176.474 176.870 0.255 0.000 1.005 670 L CA -0.784 54.123 54.840 0.111 0.000 0.819 670 L CB 2.386 44.422 42.059 -0.039 0.000 1.311 670 L HN -0.118 nan 8.230 nan 0.000 0.423 671 T N 2.711 117.396 114.554 0.218 0.000 2.855 671 T HA 0.613 4.963 4.350 0.000 0.000 0.281 671 T C -0.942 173.915 174.700 0.261 0.000 1.007 671 T CA -0.357 61.901 62.100 0.264 0.000 1.009 671 T CB 1.903 70.905 68.868 0.224 0.000 0.983 671 T HN 0.282 nan 8.240 nan 0.000 0.455 672 L N 2.968 124.373 121.223 0.303 0.000 2.372 672 L HA 0.765 5.105 4.340 0.000 0.000 0.274 672 L C 0.072 177.038 176.870 0.159 0.000 0.988 672 L CA -0.078 54.922 54.840 0.267 0.000 0.833 672 L CB 1.093 43.402 42.059 0.417 0.000 1.236 672 L HN 0.743 nan 8.230 nan 0.000 0.410 673 G N 2.446 111.342 108.800 0.160 0.000 2.389 673 G HA2 0.667 4.627 3.960 0.000 0.000 0.317 673 G HA3 0.667 4.627 3.960 0.000 0.000 0.317 673 G C -0.668 174.354 174.900 0.203 0.000 1.137 673 G CA -0.297 44.909 45.100 0.177 0.000 0.870 673 G HN 0.957 nan 8.290 nan 0.000 0.496 674 G N -0.574 108.370 108.800 0.239 0.000 2.740 674 G HA2 0.492 4.452 3.960 0.000 0.000 0.296 674 G HA3 0.492 4.452 3.960 0.000 0.000 0.296 674 G C -1.896 173.089 174.900 0.143 0.000 1.439 674 G CA -0.723 44.488 45.100 0.185 0.000 1.066 674 G HN 0.759 nan 8.290 nan 0.000 0.527 675 W N 4.435 125.568 121.300 -0.278 0.000 2.736 675 W HA 0.787 5.447 4.660 -0.000 0.000 0.335 675 W C -0.613 175.633 176.519 -0.456 0.000 1.059 675 W CA -1.127 55.815 57.345 -0.673 0.000 1.226 675 W CB 1.402 30.188 29.460 -1.122 0.000 1.416 675 W HN 0.643 nan 8.180 nan 0.000 0.505 676 I N 3.594 123.272 120.570 -1.487 0.000 2.934 676 I HA 1.069 5.239 4.170 0.000 0.000 0.306 676 I C 0.038 174.858 176.117 -2.162 0.000 1.110 676 I CA -1.001 59.249 61.300 -1.749 0.000 1.019 676 I CB 2.079 39.517 38.000 -0.937 0.000 1.227 676 I HN 0.808 nan 8.210 nan 0.000 0.434 677 G N 1.307 109.052 108.800 -1.759 0.000 2.315 677 G HA2 0.331 4.291 3.960 0.000 0.000 0.294 677 G HA3 0.331 4.291 3.960 0.000 0.000 0.294 677 G C -2.180 172.313 174.900 -0.679 0.000 1.300 677 G CA -0.942 43.536 45.100 -1.036 0.000 0.843 677 G HN 0.877 nan 8.290 nan 0.000 0.527 678 H N -0.150 118.822 119.070 -0.164 0.000 2.472 678 H HA 0.406 4.963 4.556 0.000 0.000 0.338 678 H C 0.353 175.775 175.328 0.156 0.000 1.133 678 H CA -0.615 55.402 56.048 -0.051 0.000 1.216 678 H CB 1.965 31.582 29.762 -0.242 0.000 1.497 678 H HN 0.372 nan 8.280 nan 0.000 0.500 679 D N 0.939 121.542 120.400 0.338 0.000 2.182 679 D HA -0.157 4.483 4.640 0.000 0.000 0.201 679 D C 0.912 177.346 176.300 0.224 0.000 0.986 679 D CA 1.419 55.593 54.000 0.290 0.000 0.847 679 D CB -0.098 40.858 40.800 0.260 0.000 0.942 679 D HN 0.696 nan 8.370 nan 0.000 0.467 680 D N -1.376 119.169 120.400 0.241 0.000 2.358 680 D HA 0.040 4.680 4.640 0.000 0.000 0.224 680 D C 0.113 176.535 176.300 0.204 0.000 1.123 680 D CA -0.367 53.744 54.000 0.185 0.000 0.833 680 D CB -0.678 40.203 40.800 0.135 0.000 0.946 680 D HN 0.021 nan 8.370 nan 0.000 0.505 681 N N -0.345 118.488 118.700 0.222 0.000 2.782 681 N HA -0.255 4.485 4.740 0.000 0.000 0.251 681 N C -0.672 174.936 175.510 0.163 0.000 1.101 681 N CA 1.004 54.157 53.050 0.171 0.000 0.764 681 N CB -1.792 36.775 38.487 0.132 0.000 1.122 681 N HN 0.809 nan 8.380 nan 0.000 0.561 682 H N -2.235 116.891 119.070 0.093 0.000 2.607 682 H HA 0.578 5.134 4.556 0.000 0.000 0.367 682 H C 0.272 175.671 175.328 0.117 0.000 1.181 682 H CA -0.182 55.895 56.048 0.048 0.000 1.402 682 H CB 0.744 30.478 29.762 -0.046 0.000 1.474 682 H HN 0.023 nan 8.280 nan 0.000 0.596 683 S N 1.332 117.066 115.700 0.056 0.000 2.558 683 S HA 0.031 4.501 4.470 0.000 0.000 0.293 683 S C 0.326 174.910 174.600 -0.027 0.000 1.292 683 S CA -0.414 57.788 58.200 0.004 0.000 1.063 683 S CB -0.081 63.140 63.200 0.034 0.000 0.831 683 S HN 0.370 nan 8.310 nan 0.000 0.499 684 L N 2.267 123.449 121.223 -0.068 0.000 2.479 684 L HA 0.342 4.682 4.340 0.000 0.000 0.249 684 L C 1.119 177.960 176.870 -0.047 0.000 1.178 684 L CA -0.659 54.130 54.840 -0.084 0.000 0.811 684 L CB 0.322 42.260 42.059 -0.202 0.000 1.187 684 L HN 0.725 nan 8.230 nan 0.000 0.480 685 S N -0.695 114.977 115.700 -0.046 0.000 2.608 685 S HA 0.024 4.495 4.470 0.000 0.000 0.261 685 S C 0.655 175.225 174.600 -0.050 0.000 1.314 685 S CA -0.305 57.874 58.200 -0.034 0.000 0.992 685 S CB 1.065 64.249 63.200 -0.027 0.000 0.935 685 S HN 0.664 nan 8.310 nan 0.000 0.564 686 Q N 0.249 120.022 119.800 -0.046 0.000 2.096 686 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 686 Q C 1.559 177.526 176.000 -0.055 0.000 0.982 686 Q CA 1.724 57.490 55.803 -0.061 0.000 0.850 686 Q CB -0.138 28.559 28.738 -0.068 0.000 0.901 686 Q HN 0.754 nan 8.270 nan 0.000 0.422 687 Q N -1.080 118.705 119.800 -0.026 0.000 2.280 687 Q HA 0.188 4.528 4.340 0.000 0.000 0.202 687 Q C 1.390 177.409 176.000 0.032 0.000 0.903 687 Q CA 0.591 56.416 55.803 0.037 0.000 0.948 687 Q CB 0.608 29.389 28.738 0.072 0.000 1.058 687 Q HN 0.458 nan 8.270 nan 0.000 0.493 688 A N 0.697 123.495 122.820 -0.037 0.000 1.933 688 A HA -0.063 4.257 4.320 0.000 0.000 0.218 688 A C 2.135 179.663 177.584 -0.093 0.000 1.175 688 A CA 1.783 53.765 52.037 -0.090 0.000 0.628 688 A CB -0.577 18.331 19.000 -0.153 0.000 0.814 688 A HN 0.433 nan 8.150 nan 0.000 0.444 689 G N -2.163 106.602 108.800 -0.058 0.000 2.437 689 G HA2 -0.074 3.886 3.960 0.000 0.000 0.212 689 G HA3 -0.074 3.886 3.960 0.000 0.000 0.212 689 G C 1.491 176.400 174.900 0.015 0.000 1.174 689 G CA 0.929 46.004 45.100 -0.040 0.000 0.811 689 G HN 0.489 nan 8.290 nan 0.000 0.537 690 Y N 1.757 122.014 120.300 -0.072 0.000 2.053 690 Y HA -0.190 4.360 4.550 0.000 0.000 0.277 690 Y C 3.027 178.896 175.900 -0.052 0.000 1.159 690 Y CA 2.414 60.477 58.100 -0.062 0.000 1.125 690 Y CB -0.380 38.038 38.460 -0.069 0.000 0.969 690 Y HN 0.241 nan 8.280 nan 0.000 0.492 691 S N -1.083 114.564 115.700 -0.088 0.000 2.541 691 S HA -0.003 4.467 4.470 0.000 0.000 0.219 691 S C 1.639 176.178 174.600 -0.102 0.000 1.025 691 S CA 0.698 58.795 58.200 -0.173 0.000 0.917 691 S CB -0.578 62.604 63.200 -0.030 0.000 0.859 691 S HN 0.598 nan 8.310 nan 0.000 0.584 692 N N 2.486 121.146 118.700 -0.066 0.000 2.018 692 N HA -0.127 4.613 4.740 0.000 0.000 0.196 692 N C 1.632 177.117 175.510 -0.042 0.000 1.043 692 N CA 1.866 54.872 53.050 -0.073 0.000 0.856 692 N CB -0.578 37.845 38.487 -0.107 0.000 1.042 692 N HN 0.488 nan 8.380 nan 0.000 0.423 693 N N 0.167 118.830 118.700 -0.062 0.000 2.166 693 N HA -0.046 4.694 4.740 0.000 0.000 0.186 693 N C 1.211 176.751 175.510 0.050 0.000 1.019 693 N CA 1.199 54.247 53.050 -0.004 0.000 0.856 693 N CB -0.161 38.271 38.487 -0.091 0.000 0.993 693 N HN 0.099 nan 8.380 nan 0.000 0.426 694 S N -0.059 115.632 115.700 -0.015 0.000 2.374 694 S HA -0.180 4.290 4.470 0.000 0.000 0.227 694 S C 1.694 176.321 174.600 0.044 0.000 1.037 694 S CA 1.282 59.491 58.200 0.016 0.000 1.024 694 S CB -0.672 62.494 63.200 -0.057 0.000 0.861 694 S HN 0.584 nan 8.310 nan 0.000 0.456 695 N N -0.070 118.628 118.700 -0.004 0.000 2.171 695 N HA -0.161 4.579 4.740 0.000 0.000 0.184 695 N C 1.898 177.468 175.510 0.101 0.000 1.021 695 N CA 1.048 54.095 53.050 -0.005 0.000 0.854 695 N CB -0.232 38.242 38.487 -0.022 0.000 0.994 695 N HN 0.513 nan 8.380 nan 0.000 0.426 696 Y N 1.456 121.748 120.300 -0.014 0.000 2.163 696 Y HA -0.018 4.532 4.550 0.000 0.000 0.288 696 Y C 2.395 178.314 175.900 0.032 0.000 1.136 696 Y CA 1.481 59.567 58.100 -0.023 0.000 1.147 696 Y CB -0.356 38.047 38.460 -0.095 0.000 0.987 696 Y HN 0.010 nan 8.280 nan 0.000 0.509 697 M N 0.078 119.567 119.600 -0.185 0.000 2.213 697 M HA -0.184 4.296 4.480 0.000 0.000 0.263 697 M C 2.405 178.638 176.300 -0.113 0.000 1.062 697 M CA 1.573 56.730 55.300 -0.237 0.000 1.105 697 M CB -0.464 32.068 32.600 -0.115 0.000 1.385 697 M HN 0.500 nan 8.290 nan 0.000 0.417 698 A N -0.484 122.309 122.820 -0.046 0.000 1.930 698 A HA -0.170 4.150 4.320 0.000 0.000 0.217 698 A C 1.798 179.175 177.584 -0.345 0.000 1.175 698 A CA 1.310 53.204 52.037 -0.239 0.000 0.627 698 A CB -1.030 17.663 19.000 -0.512 0.000 0.815 698 A HN 0.499 nan 8.150 nan 0.000 0.443 699 H N -1.343 117.504 119.070 -0.371 0.000 2.423 699 H HA -0.093 4.463 4.556 0.000 0.000 0.297 699 H C 2.070 177.233 175.328 -0.275 0.000 1.075 699 H CA 1.697 57.481 56.048 -0.440 0.000 1.342 699 H CB -0.086 29.232 29.762 -0.739 0.000 1.395 699 H HN 0.462 nan 8.280 nan 0.000 0.530 700 L N 0.557 121.662 121.223 -0.197 0.000 2.072 700 L HA -0.068 4.272 4.340 0.000 0.000 0.205 700 L C 2.385 179.301 176.870 0.078 0.000 1.079 700 L CA 0.991 55.766 54.840 -0.109 0.000 0.752 700 L CB -0.723 41.160 42.059 -0.292 0.000 0.906 700 L HN -0.095 nan 8.230 nan 0.000 0.436 701 V N 0.626 120.580 119.914 0.068 0.000 2.392 701 V HA -0.321 3.799 4.120 0.000 0.000 0.249 701 V C 2.495 178.727 176.094 0.231 0.000 1.059 701 V CA 2.085 64.514 62.300 0.216 0.000 1.051 701 V CB -0.842 30.907 31.823 -0.124 0.000 0.658 701 V HN 0.628 nan 8.190 nan 0.000 0.455 702 N N 0.166 118.889 118.700 0.038 0.000 2.216 702 N HA -0.059 4.681 4.740 0.000 0.000 0.183 702 N C 1.715 177.299 175.510 0.123 0.000 1.017 702 N CA 1.468 54.538 53.050 0.034 0.000 0.861 702 N CB -0.276 38.145 38.487 -0.109 0.000 0.986 702 N HN 0.401 nan 8.380 nan 0.000 0.428 703 A N 0.311 123.207 122.820 0.126 0.000 1.972 703 A HA -0.035 4.286 4.320 0.000 0.000 0.219 703 A C 2.267 179.944 177.584 0.156 0.000 1.169 703 A CA 0.880 53.003 52.037 0.144 0.000 0.635 703 A CB -0.652 18.441 19.000 0.153 0.000 0.810 703 A HN 0.372 nan 8.150 nan 0.000 0.446 704 I N -0.754 119.954 120.570 0.229 0.000 2.202 704 I HA -0.282 3.888 4.170 0.000 0.000 0.242 704 I C 2.737 178.971 176.117 0.195 0.000 1.091 704 I CA 1.770 63.191 61.300 0.200 0.000 1.368 704 I CB -0.239 37.916 38.000 0.258 0.000 1.058 704 I HN 0.458 nan 8.210 nan 0.000 0.410 705 Q N 0.741 120.766 119.800 0.375 0.000 2.061 705 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 705 Q C 2.144 178.239 176.000 0.158 0.000 0.984 705 Q CA 1.792 57.786 55.803 0.317 0.000 0.846 705 Q CB -0.182 28.769 28.738 0.355 0.000 0.902 705 Q HN 0.341 nan 8.270 nan 0.000 0.421 706 Q N -0.395 119.482 119.800 0.128 0.000 2.167 706 Q HA 0.032 4.372 4.340 0.000 0.000 0.202 706 Q C 1.907 177.944 176.000 0.061 0.000 0.970 706 Q CA 1.616 57.468 55.803 0.082 0.000 0.855 706 Q CB -0.619 28.165 28.738 0.076 0.000 0.911 706 Q HN 0.538 nan 8.270 nan 0.000 0.438 707 A N -0.382 122.474 122.820 0.059 0.000 1.975 707 A HA 0.072 4.392 4.320 0.000 0.000 0.215 707 A C 1.211 178.800 177.584 0.008 0.000 1.170 707 A CA 0.927 52.981 52.037 0.028 0.000 0.656 707 A CB 0.239 19.252 19.000 0.021 0.000 0.821 707 A HN 0.152 nan 8.150 nan 0.000 0.449 708 S N -0.723 114.982 115.700 0.008 0.000 2.312 708 S HA 0.464 4.934 4.470 0.000 0.000 0.173 708 S C -2.483 172.118 174.600 0.002 0.000 1.488 708 S CA -1.029 57.161 58.200 -0.017 0.000 1.239 708 S CB 0.842 64.005 63.200 -0.061 0.000 1.215 708 S HN 0.036 nan 8.310 nan 0.000 0.438 709 P HA -0.019 nan 4.420 nan 0.000 0.219 709 P C 1.082 178.410 177.300 0.047 0.000 1.146 709 P CA 0.854 63.985 63.100 0.053 0.000 0.808 709 P CB 0.212 31.935 31.700 0.039 0.000 0.779 710 S N -1.459 114.249 115.700 0.013 0.000 2.562 710 S HA 0.026 4.496 4.470 0.000 0.000 0.221 710 S C 1.599 176.196 174.600 -0.004 0.000 0.975 710 S CA -0.037 58.168 58.200 0.008 0.000 0.918 710 S CB -0.801 62.392 63.200 -0.011 0.000 0.772 710 S HN 0.046 nan 8.310 nan 0.000 0.531 711 I N 0.539 121.081 120.570 -0.047 0.000 2.315 711 I HA -0.077 4.093 4.170 0.000 0.000 0.248 711 I C 1.482 177.494 176.117 -0.174 0.000 1.117 711 I CA 1.276 62.479 61.300 -0.162 0.000 1.404 711 I CB -0.127 37.703 38.000 -0.283 0.000 1.071 711 I HN 0.397 nan 8.210 nan 0.000 0.419 712 W N 1.185 122.460 121.300 -0.042 0.000 2.402 712 W HA 0.249 4.909 4.660 -0.000 0.000 0.286 712 W C 1.535 177.956 176.519 -0.162 0.000 1.221 712 W CA 0.981 58.264 57.345 -0.103 0.000 1.257 712 W CB -0.729 28.666 29.460 -0.108 0.000 1.120 712 W HN 0.327 nan 8.180 nan 0.000 0.551 713 G N 0.522 109.372 108.800 0.083 0.000 2.758 713 G HA2 -0.335 3.625 3.960 0.000 0.000 0.686 713 G HA3 -0.335 3.625 3.960 0.000 0.000 0.686 713 G C -0.181 174.685 174.900 -0.057 0.000 1.389 713 G CA -0.045 45.046 45.100 -0.015 0.000 0.845 713 G HN 0.184 nan 8.290 nan 0.000 0.572 714 N N -0.090 118.567 118.700 -0.071 0.000 2.187 714 N HA 0.226 4.966 4.740 0.000 0.000 0.212 714 N C 0.629 176.070 175.510 -0.115 0.000 1.152 714 N CA 0.565 53.563 53.050 -0.087 0.000 0.872 714 N CB 0.270 38.728 38.487 -0.049 0.000 1.025 714 N HN 0.635 nan 8.380 nan 0.000 0.514 715 E N 0.325 120.439 120.200 -0.144 0.000 2.428 715 E HA 0.122 4.472 4.350 0.000 0.000 0.257 715 E C 0.032 176.497 176.600 -0.227 0.000 1.197 715 E CA 0.370 56.670 56.400 -0.168 0.000 0.974 715 E CB 0.507 30.098 29.700 -0.182 0.000 0.976 715 E HN 0.024 nan 8.360 nan 0.000 0.463 716 R N 0.735 121.117 120.500 -0.196 0.000 2.664 716 R HA 0.388 4.728 4.340 0.000 0.000 0.286 716 R C -0.517 175.654 176.300 -0.216 0.000 0.967 716 R CA -0.791 55.210 56.100 -0.165 0.000 0.933 716 R CB 0.524 30.796 30.300 -0.047 0.000 1.146 716 R HN 0.371 nan 8.270 nan 0.000 0.468 717 F N 0.727 120.666 119.950 -0.018 0.000 2.444 717 F HA 0.441 4.968 4.527 0.001 0.000 0.331 717 F C 0.828 176.617 175.800 -0.018 0.000 1.167 717 F CA 0.244 58.237 58.000 -0.011 0.000 1.262 717 F CB 0.702 39.700 39.000 -0.004 0.000 1.196 717 F HN 0.507 nan 8.300 nan 0.000 0.583 718 A N 2.117 125.038 122.820 0.167 0.000 2.555 718 A HA 0.548 4.868 4.320 0.000 0.000 0.297 718 A C -1.501 176.097 177.584 0.023 0.000 1.060 718 A CA -0.863 51.212 52.037 0.063 0.000 0.710 718 A CB 0.668 19.685 19.000 0.028 0.000 1.282 718 A HN 0.483 nan 8.150 nan 0.000 0.399 719 L N 1.829 123.023 121.223 -0.047 0.000 2.653 719 L HA -0.007 4.333 4.340 0.000 0.000 0.288 719 L C 0.638 177.485 176.870 -0.039 0.000 1.243 719 L CA 0.949 55.729 54.840 -0.099 0.000 0.906 719 L CB -0.469 41.455 42.059 -0.225 0.000 1.154 719 L HN 0.832 nan 8.230 nan 0.000 0.498 720 D N 5.355 125.746 120.400 -0.016 0.000 2.382 720 D HA 0.150 4.790 4.640 0.000 0.000 0.245 720 D C -1.445 174.860 176.300 0.009 0.000 1.120 720 D CA -1.045 52.962 54.000 0.012 0.000 0.890 720 D CB 1.148 41.967 40.800 0.032 0.000 1.201 720 D HN 0.358 nan 8.370 nan 0.000 0.433 721 P HA -0.214 nan 4.420 nan 0.000 0.217 721 P C 1.066 178.386 177.300 0.034 0.000 1.148 721 P CA 1.133 64.247 63.100 0.023 0.000 0.834 721 P CB -0.095 31.620 31.700 0.025 0.000 0.783 722 S N -1.655 114.069 115.700 0.040 0.000 2.595 722 S HA -0.022 4.448 4.470 0.000 0.000 0.235 722 S C 0.770 175.412 174.600 0.069 0.000 0.974 722 S CA 0.047 58.279 58.200 0.053 0.000 0.942 722 S CB -1.152 62.082 63.200 0.057 0.000 0.766 722 S HN -0.121 nan 8.310 nan 0.000 0.536 723 V N 2.257 122.208 119.914 0.062 0.000 2.583 723 V HA 0.292 4.412 4.120 0.000 0.000 0.287 723 V C 0.264 176.435 176.094 0.128 0.000 1.051 723 V CA -0.601 61.753 62.300 0.091 0.000 1.010 723 V CB 1.408 33.251 31.823 0.034 0.000 0.988 723 V HN 0.299 nan 8.190 nan 0.000 0.478 724 V N 5.844 125.869 119.914 0.184 0.000 2.465 724 V HA 0.332 4.452 4.120 0.000 0.000 0.279 724 V C 0.313 176.560 176.094 0.256 0.000 1.045 724 V CA -0.782 61.627 62.300 0.181 0.000 0.938 724 V CB 1.338 33.255 31.823 0.157 0.000 0.986 724 V HN 0.816 nan 8.190 nan 0.000 0.467 725 K N 2.837 123.365 120.400 0.213 0.000 2.110 725 K HA 0.691 5.012 4.320 0.000 0.000 0.263 725 K C -0.616 176.069 176.600 0.142 0.000 0.975 725 K CA -0.422 56.011 56.287 0.245 0.000 0.895 725 K CB 1.677 34.321 32.500 0.240 0.000 1.060 725 K HN 0.616 nan 8.250 nan 0.000 0.448 726 S N 1.293 117.069 115.700 0.127 0.000 2.538 726 S HA 0.130 4.600 4.470 0.000 0.000 0.288 726 S C -0.998 173.620 174.600 0.031 0.000 1.108 726 S CA -0.785 57.445 58.200 0.050 0.000 0.971 726 S CB 1.813 65.017 63.200 0.007 0.000 1.041 726 S HN 0.590 nan 8.310 nan 0.000 0.483 727 E N 2.368 122.574 120.200 0.009 0.000 2.217 727 E HA 0.402 4.752 4.350 0.000 0.000 0.279 727 E C -0.400 176.200 176.600 -0.000 0.000 1.068 727 E CA -0.478 55.922 56.400 -0.000 0.000 0.882 727 E CB 0.349 30.047 29.700 -0.003 0.000 1.039 727 E HN 0.463 nan 8.360 nan 0.000 0.418 728 V N 1.838 121.753 119.914 0.003 0.000 3.046 728 V HA 0.491 4.611 4.120 0.000 0.000 0.316 728 V C -0.120 175.961 176.094 -0.022 0.000 1.104 728 V CA -1.257 61.046 62.300 0.006 0.000 1.006 728 V CB 1.385 33.238 31.823 0.051 0.000 1.058 728 V HN 0.574 nan 8.190 nan 0.000 0.440 729 L N 2.200 123.400 121.223 -0.039 0.000 2.455 729 L HA 0.251 4.591 4.340 0.000 0.000 0.272 729 L C 1.854 178.670 176.870 -0.089 0.000 1.174 729 L CA 0.070 54.867 54.840 -0.071 0.000 0.869 729 L CB 0.335 42.331 42.059 -0.104 0.000 1.130 729 L HN 0.816 nan 8.230 nan 0.000 0.474 730 K N 1.133 121.481 120.400 -0.086 0.000 2.113 730 K HA -0.192 4.128 4.320 0.000 0.000 0.208 730 K C 1.877 178.401 176.600 -0.127 0.000 1.047 730 K CA 1.950 58.184 56.287 -0.088 0.000 0.928 730 K CB 0.043 32.497 32.500 -0.077 0.000 0.716 730 K HN 0.831 nan 8.250 nan 0.000 0.446 731 S N -0.976 114.613 115.700 -0.184 0.000 2.524 731 S HA -0.026 4.444 4.470 0.000 0.000 0.216 731 S C 1.606 175.917 174.600 -0.482 0.000 0.987 731 S CA 0.908 58.944 58.200 -0.273 0.000 0.909 731 S CB 0.264 63.298 63.200 -0.277 0.000 0.781 731 S HN 0.331 nan 8.310 nan 0.000 0.521 732 T N -3.892 110.381 114.554 -0.468 0.000 2.959 732 T HA 0.514 4.864 4.350 0.000 0.000 0.254 732 T C 1.706 176.326 174.700 -0.133 0.000 1.003 732 T CA 0.655 62.350 62.100 -0.674 0.000 0.950 732 T CB -0.100 68.378 68.868 -0.649 0.000 1.090 732 T HN 1.050 nan 8.240 nan 0.000 0.503 733 G N 1.356 110.120 108.800 -0.060 0.000 2.196 733 G HA2 -0.272 3.689 3.960 0.000 0.000 0.268 733 G HA3 -0.272 3.689 3.960 0.000 0.000 0.268 733 G C -0.103 174.876 174.900 0.133 0.000 0.975 733 G CA 0.659 45.793 45.100 0.058 0.000 0.648 733 G HN 0.708 nan 8.290 nan 0.000 0.538 734 Q N -0.634 119.211 119.800 0.075 0.000 2.359 734 Q HA 0.576 4.916 4.340 0.000 0.000 0.275 734 Q C -0.019 175.997 176.000 0.027 0.000 1.082 734 Q CA -1.013 54.842 55.803 0.087 0.000 0.849 734 Q CB 1.460 30.271 28.738 0.123 0.000 1.377 734 Q HN 0.243 nan 8.270 nan 0.000 0.452 735 K N 2.456 122.862 120.400 0.010 0.000 2.489 735 K HA 0.067 4.387 4.320 0.000 0.000 0.278 735 K C -2.206 174.395 176.600 0.002 0.000 1.000 735 K CA -0.957 55.325 56.287 -0.009 0.000 1.012 735 K CB 0.048 32.529 32.500 -0.032 0.000 0.903 735 K HN 0.314 nan 8.250 nan 0.000 0.485 736 P HA 0.098 nan 4.420 nan 0.000 0.271 736 P C -0.134 177.174 177.300 0.012 0.000 1.218 736 P CA -0.040 63.062 63.100 0.003 0.000 0.780 736 P CB 1.323 33.020 31.700 -0.004 0.000 0.901 737 G N 1.689 110.504 108.800 0.025 0.000 2.335 737 G HA2 0.234 4.194 3.960 0.000 0.000 0.291 737 G HA3 0.234 4.194 3.960 0.000 0.000 0.291 737 G C -1.731 173.189 174.900 0.034 0.000 1.261 737 G CA -0.821 44.294 45.100 0.025 0.000 0.871 737 G HN 0.427 nan 8.290 nan 0.000 0.491 738 K N 0.416 120.830 120.400 0.023 0.000 2.253 738 K HA 0.644 4.964 4.320 0.000 0.000 0.277 738 K C -1.041 175.563 176.600 0.007 0.000 1.053 738 K CA -0.564 55.728 56.287 0.010 0.000 0.892 738 K CB 2.281 34.780 32.500 -0.002 0.000 1.102 738 K HN 0.278 nan 8.250 nan 0.000 0.469 739 V N 1.458 121.366 119.914 -0.010 0.000 2.638 739 V HA 0.164 4.284 4.120 0.000 0.000 0.306 739 V C -0.301 175.714 176.094 -0.133 0.000 1.052 739 V CA -0.923 61.348 62.300 -0.049 0.000 0.885 739 V CB 1.971 33.780 31.823 -0.024 0.000 0.999 739 V HN 0.827 nan 8.190 nan 0.000 0.424 740 S N 3.894 119.506 115.700 -0.146 0.000 2.416 740 S HA 0.533 5.003 4.470 0.000 0.000 0.287 740 S C -0.602 173.814 174.600 -0.306 0.000 1.139 740 S CA -0.320 57.764 58.200 -0.193 0.000 1.058 740 S CB 0.346 63.444 63.200 -0.171 0.000 0.967 740 S HN 0.526 nan 8.310 nan 0.000 0.495 741 V N 6.615 126.354 119.914 -0.292 0.000 2.407 741 V HA 0.336 4.456 4.120 0.000 0.000 0.291 741 V C 0.127 176.087 176.094 -0.223 0.000 1.018 741 V CA -0.698 61.410 62.300 -0.320 0.000 0.842 741 V CB 0.981 32.624 31.823 -0.300 0.000 0.996 741 V HN 1.083 nan 8.190 nan 0.000 0.426 742 E N 3.900 123.944 120.200 -0.260 0.000 2.202 742 E HA -0.282 4.068 4.350 0.000 0.000 0.214 742 E C 0.948 177.466 176.600 -0.136 0.000 1.303 742 E CA 0.975 57.271 56.400 -0.172 0.000 0.714 742 E CB -1.622 28.032 29.700 -0.078 0.000 1.130 742 E HN 1.514 nan 8.360 nan 0.000 0.356 743 G N 0.524 109.227 108.800 -0.162 0.000 5.005 743 G HA2 -0.379 3.581 3.960 0.000 0.000 0.251 743 G HA3 -0.379 3.581 3.960 0.000 0.000 0.251 743 G C -0.118 174.718 174.900 -0.106 0.000 1.536 743 G CA -0.039 44.990 45.100 -0.119 0.000 1.060 743 G HN 0.385 nan 8.290 nan 0.000 0.683 744 K N 3.377 123.725 120.400 -0.086 0.000 2.430 744 K HA 0.442 4.762 4.320 0.000 0.000 0.280 744 K C 0.634 177.182 176.600 -0.087 0.000 1.063 744 K CA 0.685 56.930 56.287 -0.070 0.000 1.071 744 K CB 0.517 32.989 32.500 -0.047 0.000 0.899 744 K HN 0.957 nan 8.250 nan 0.000 0.473 745 E N 1.634 121.788 120.200 -0.078 0.000 2.442 745 E HA 0.167 4.517 4.350 0.000 0.000 0.262 745 E C -0.647 175.918 176.600 -0.058 0.000 1.004 745 E CA -0.619 55.735 56.400 -0.076 0.000 0.928 745 E CB 0.514 30.180 29.700 -0.057 0.000 0.937 745 E HN 0.210 nan 8.360 nan 0.000 0.446 746 V N 1.360 121.239 119.914 -0.059 0.000 2.823 746 V HA 0.345 4.465 4.120 0.000 0.000 0.312 746 V C -0.417 175.677 176.094 -0.000 0.000 1.072 746 V CA -1.263 61.023 62.300 -0.022 0.000 0.937 746 V CB 1.624 33.445 31.823 -0.002 0.000 1.013 746 V HN 0.790 nan 8.190 nan 0.000 0.430 747 E N 1.936 122.144 120.200 0.014 0.000 2.152 747 E HA 0.452 4.802 4.350 0.000 0.000 0.285 747 E C -0.914 175.713 176.600 0.044 0.000 1.043 747 E CA -0.138 56.275 56.400 0.022 0.000 0.839 747 E CB 1.170 30.878 29.700 0.014 0.000 1.069 747 E HN 0.557 nan 8.360 nan 0.000 0.399 748 V N 5.476 125.425 119.914 0.058 0.000 2.350 748 V HA 0.497 4.617 4.120 0.000 0.000 0.276 748 V C 0.247 176.362 176.094 0.036 0.000 1.028 748 V CA -0.355 61.991 62.300 0.078 0.000 0.860 748 V CB 0.835 32.742 31.823 0.140 0.000 0.990 748 V HN 0.871 nan 8.190 nan 0.000 0.453 749 T N 1.158 115.725 114.554 0.022 0.000 2.865 749 T HA 0.993 5.343 4.350 0.000 0.000 0.294 749 T C -0.073 174.620 174.700 -0.011 0.000 1.119 749 T CA -0.298 61.804 62.100 0.003 0.000 1.007 749 T CB 2.272 71.143 68.868 0.005 0.000 1.225 749 T HN 1.503 nan 8.240 nan 0.000 0.515 750 G N 0.482 109.272 108.800 -0.018 0.000 2.369 750 G HA2 0.428 4.389 3.960 0.000 0.000 0.293 750 G HA3 0.428 4.389 3.960 0.000 0.000 0.293 750 G C -0.536 174.346 174.900 -0.030 0.000 1.301 750 G CA -0.372 44.712 45.100 -0.027 0.000 0.913 750 G HN 1.572 nan 8.290 nan 0.000 0.540 751 S N -0.759 114.921 115.700 -0.033 0.000 2.568 751 S HA 0.576 5.046 4.470 0.000 0.000 0.282 751 S C 0.744 175.321 174.600 -0.037 0.000 1.338 751 S CA 0.943 59.124 58.200 -0.030 0.000 1.045 751 S CB 1.100 64.283 63.200 -0.027 0.000 0.873 751 S HN 1.990 nan 8.310 nan 0.000 0.516 752 T N -1.638 112.898 114.554 -0.030 0.000 2.927 752 T HA 0.807 5.158 4.350 0.000 0.000 0.286 752 T C -0.392 174.289 174.700 -0.032 0.000 1.040 752 T CA -0.778 61.303 62.100 -0.031 0.000 1.010 752 T CB 1.414 70.268 68.868 -0.022 0.000 1.177 752 T HN 1.215 nan 8.240 nan 0.000 0.546 753 V N -0.113 119.779 119.914 -0.037 0.000 3.147 753 V HA 0.556 4.676 4.120 0.000 0.000 0.299 753 V C -0.941 175.115 176.094 -0.064 0.000 1.302 753 V CA -0.680 61.591 62.300 -0.049 0.000 1.015 753 V CB 2.456 34.244 31.823 -0.059 0.000 1.086 753 V HN 1.238 nan 8.190 nan 0.000 0.437 754 T N 3.822 118.320 114.554 -0.093 0.000 2.761 754 T HA 0.411 4.761 4.350 0.000 0.000 0.296 754 T C -0.114 174.387 174.700 -0.331 0.000 0.934 754 T CA 0.268 62.284 62.100 -0.140 0.000 1.091 754 T CB 0.948 69.753 68.868 -0.105 0.000 0.896 754 T HN 0.771 nan 8.240 nan 0.000 0.515 755 S N 2.444 118.012 115.700 -0.221 0.000 2.454 755 S HA 0.567 5.037 4.470 0.000 0.000 0.306 755 S C -1.210 173.325 174.600 -0.109 0.000 1.100 755 S CA -0.824 57.234 58.200 -0.237 0.000 1.087 755 S CB 0.281 63.520 63.200 0.065 0.000 1.019 755 S HN 0.488 nan 8.310 nan 0.000 0.480 756 Y N 2.796 123.160 120.300 0.107 0.000 2.313 756 Y HA 0.557 5.107 4.550 0.000 0.000 0.332 756 Y C -0.238 175.707 175.900 0.076 0.000 1.071 756 Y CA -0.912 57.264 58.100 0.126 0.000 1.169 756 Y CB 0.517 39.005 38.460 0.046 0.000 1.192 756 Y HN 0.619 nan 8.280 nan 0.000 0.487 757 W N 0.116 121.527 121.300 0.186 0.000 2.799 757 W HA 0.698 5.358 4.660 0.000 0.000 0.349 757 W C -0.091 176.492 176.519 0.106 0.000 1.100 757 W CA -1.121 56.295 57.345 0.117 0.000 1.174 757 W CB 1.882 31.392 29.460 0.083 0.000 1.427 757 W HN 0.502 nan 8.180 nan 0.000 0.547 758 A N 1.895 124.907 122.820 0.321 0.000 2.637 758 A HA 0.246 4.566 4.320 0.000 0.000 0.293 758 A C 0.057 177.773 177.584 0.219 0.000 1.216 758 A CA -0.262 51.906 52.037 0.218 0.000 0.956 758 A CB -1.178 17.914 19.000 0.153 0.000 1.174 758 A HN 0.530 nan 8.150 nan 0.000 0.525 759 N N -0.492 118.366 118.700 0.264 0.000 2.776 759 N HA 0.258 4.998 4.740 0.000 0.000 0.319 759 N C 0.834 176.420 175.510 0.126 0.000 1.316 759 N CA -0.445 52.717 53.050 0.187 0.000 0.890 759 N CB 0.343 38.949 38.487 0.199 0.000 1.165 759 N HN -0.042 nan 8.380 nan 0.000 0.596 760 K N -0.479 119.968 120.400 0.078 0.000 2.044 760 K HA 0.003 4.323 4.320 0.000 0.000 0.204 760 K C 1.250 177.861 176.600 0.019 0.000 1.049 760 K CA 1.676 57.992 56.287 0.047 0.000 0.945 760 K CB -0.949 31.571 32.500 0.033 0.000 0.724 760 K HN 0.606 nan 8.250 nan 0.000 0.440 761 S N 0.096 115.785 115.700 -0.019 0.000 2.597 761 S HA 0.329 4.799 4.470 0.000 0.000 0.224 761 S C 1.100 175.593 174.600 -0.179 0.000 0.955 761 S CA 0.038 58.190 58.200 -0.080 0.000 0.933 761 S CB -0.423 62.721 63.200 -0.093 0.000 0.788 761 S HN 0.691 nan 8.310 nan 0.000 0.488 762 G N 1.861 110.553 108.800 -0.181 0.000 2.574 762 G HA2 -0.033 3.928 3.960 0.000 0.000 0.286 762 G HA3 -0.033 3.928 3.960 0.000 0.000 0.286 762 G C 0.147 174.370 174.900 -1.128 0.000 1.212 762 G CA -0.140 44.699 45.100 -0.435 0.000 0.979 762 G HN 1.511 nan 8.290 nan 0.000 0.557 763 A N 1.644 123.727 122.820 -1.228 0.000 2.295 763 A HA 0.875 5.195 4.320 0.000 0.000 0.318 763 A C -1.135 176.096 177.584 -0.588 0.000 1.134 763 A CA -0.231 51.004 52.037 -1.337 0.000 0.827 763 A CB 1.271 19.882 19.000 -0.648 0.000 1.136 763 A HN 0.820 nan 8.150 nan 0.000 0.493 764 P HA 0.492 nan 4.420 nan 0.000 0.302 764 P C -0.204 177.041 177.300 -0.091 0.000 1.307 764 P CA -0.185 62.801 63.100 -0.189 0.000 0.754 764 P CB 0.808 32.446 31.700 -0.103 0.000 1.298 765 A N -0.384 122.412 122.820 -0.040 0.000 2.287 765 A HA 0.432 4.752 4.320 0.000 0.000 0.273 765 A C 0.282 177.895 177.584 0.049 0.000 1.091 765 A CA -0.171 51.865 52.037 -0.001 0.000 0.817 765 A CB -0.842 18.158 19.000 0.000 0.000 1.069 765 A HN 0.479 nan 8.150 nan 0.000 0.492 766 T N 1.890 116.488 114.554 0.074 0.000 2.940 766 T HA 0.430 4.781 4.350 0.000 0.000 0.309 766 T C 0.564 175.370 174.700 0.177 0.000 1.056 766 T CA 0.820 63.005 62.100 0.142 0.000 1.137 766 T CB -0.026 68.924 68.868 0.137 0.000 0.976 766 T HN 0.936 nan 8.240 nan 0.000 0.547 767 S N 1.821 117.672 115.700 0.251 0.000 2.732 767 S HA 0.397 4.867 4.470 0.000 0.000 0.293 767 S C 0.442 175.250 174.600 0.347 0.000 1.159 767 S CA -0.995 57.342 58.200 0.227 0.000 0.847 767 S CB 0.750 64.030 63.200 0.133 0.000 1.169 767 S HN 0.676 nan 8.310 nan 0.000 0.501 768 Y N 1.561 121.916 120.300 0.092 0.000 2.200 768 Y HA 0.071 4.621 4.550 0.000 0.000 0.290 768 Y C 1.106 177.030 175.900 0.040 0.000 1.137 768 Y CA 1.213 59.363 58.100 0.084 0.000 1.163 768 Y CB 0.217 38.568 38.460 -0.182 0.000 0.988 768 Y HN 0.412 nan 8.280 nan 0.000 0.518 769 R N 2.121 122.473 120.500 -0.246 0.000 3.657 769 R HA 0.069 4.409 4.340 0.000 0.000 0.220 769 R C 0.534 176.762 176.300 -0.120 0.000 1.548 769 R CA -0.257 55.480 56.100 -0.605 0.000 1.465 769 R CB -1.838 28.163 30.300 -0.499 0.000 1.330 769 R HN 0.541 nan 8.270 nan 0.000 0.707 770 F N -0.873 119.142 119.950 0.108 0.000 2.451 770 F HA 0.207 4.734 4.527 0.000 0.000 0.299 770 F C 0.723 176.585 175.800 0.103 0.000 1.101 770 F CA -0.430 57.639 58.000 0.114 0.000 1.436 770 F CB -0.008 39.042 39.000 0.084 0.000 1.074 770 F HN 0.186 nan 8.300 nan 0.000 0.553 771 A N 1.002 123.710 122.820 -0.188 0.000 2.299 771 A HA 0.644 4.964 4.320 0.000 0.000 0.332 771 A C -0.242 177.287 177.584 -0.091 0.000 1.131 771 A CA -0.844 51.121 52.037 -0.121 0.000 0.844 771 A CB 0.593 19.359 19.000 -0.389 0.000 1.251 771 A HN 0.128 nan 8.150 nan 0.000 0.486 772 I N 1.844 122.374 120.570 -0.067 0.000 2.379 772 I HA 0.453 4.623 4.170 0.000 0.000 0.290 772 I C 1.140 177.103 176.117 -0.256 0.000 1.063 772 I CA 1.239 62.502 61.300 -0.062 0.000 1.351 772 I CB -0.984 37.053 38.000 0.062 0.000 1.410 772 I HN 1.178 nan 8.210 nan 0.000 0.505 773 G N 4.428 112.932 108.800 -0.493 0.000 2.725 773 G HA2 0.358 4.318 3.960 0.000 0.000 0.220 773 G HA3 0.358 4.318 3.960 0.000 0.000 0.220 773 G C -0.095 174.119 174.900 -1.143 0.000 1.357 773 G CA -0.073 44.151 45.100 -1.460 0.000 0.866 773 G HN 1.749 nan 8.290 nan 0.000 0.548 774 G N -2.171 105.812 108.800 -1.360 0.000 2.906 774 G HA2 0.529 4.489 3.960 0.000 0.000 0.686 774 G HA3 0.529 4.489 3.960 0.000 0.000 0.686 774 G C 0.177 174.818 174.900 -0.431 0.000 1.170 774 G CA 0.792 45.448 45.100 -0.741 0.000 0.775 774 G HN 2.673 nan 8.290 nan 0.000 0.630 775 S N 0.260 115.795 115.700 -0.275 0.000 2.686 775 S HA 0.603 5.073 4.470 0.000 0.000 0.270 775 S C 0.964 175.570 174.600 0.011 0.000 1.194 775 S CA 0.458 58.608 58.200 -0.084 0.000 0.990 775 S CB 1.480 64.662 63.200 -0.030 0.000 1.029 775 S HN 0.538 nan 8.310 nan 0.000 0.560 776 D N 0.819 121.260 120.400 0.068 0.000 2.149 776 D HA 0.029 4.669 4.640 0.000 0.000 0.201 776 D C 2.210 178.564 176.300 0.090 0.000 0.972 776 D CA 1.579 55.663 54.000 0.139 0.000 0.835 776 D CB -0.869 39.989 40.800 0.097 0.000 0.966 776 D HN 0.657 nan 8.370 nan 0.000 0.476 777 A N 1.478 124.299 122.820 0.002 0.000 1.902 777 A HA -0.194 4.126 4.320 0.000 0.000 0.217 777 A C 1.831 179.315 177.584 -0.166 0.000 1.181 777 A CA 1.611 53.624 52.037 -0.039 0.000 0.623 777 A CB -0.373 18.606 19.000 -0.036 0.000 0.818 777 A HN 0.010 nan 8.150 nan 0.000 0.443 778 D N -1.158 119.026 120.400 -0.360 0.000 2.116 778 D HA -0.182 4.458 4.640 0.000 0.000 0.193 778 D C 1.678 177.582 176.300 -0.661 0.000 0.998 778 D CA 1.588 55.049 54.000 -0.899 0.000 0.836 778 D CB -0.441 39.683 40.800 -1.126 0.000 0.951 778 D HN 0.589 nan 8.370 nan 0.000 0.449 779 Y N 0.829 120.946 120.300 -0.305 0.000 2.242 779 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 779 Y C 2.548 178.524 175.900 0.126 0.000 1.137 779 Y CA 1.168 59.180 58.100 -0.148 0.000 1.181 779 Y CB -0.498 37.868 38.460 -0.157 0.000 0.989 779 Y HN -0.014 nan 8.280 nan 0.000 0.527 780 Q N 1.000 120.965 119.800 0.275 0.000 2.012 780 Q HA -0.304 4.036 4.340 0.000 0.000 0.211 780 Q C 2.185 178.302 176.000 0.195 0.000 1.009 780 Q CA 2.421 58.371 55.803 0.245 0.000 0.866 780 Q CB -0.824 27.995 28.738 0.136 0.000 0.945 780 Q HN 0.438 nan 8.270 nan 0.000 0.414 781 N N -0.248 118.494 118.700 0.070 0.000 2.037 781 N HA -0.266 4.474 4.740 0.000 0.000 0.196 781 N C 1.684 177.259 175.510 0.109 0.000 1.034 781 N CA 2.295 55.387 53.050 0.070 0.000 0.861 781 N CB -0.453 38.056 38.487 0.036 0.000 1.039 781 N HN 0.459 nan 8.380 nan 0.000 0.427 782 A N 0.227 123.091 122.820 0.074 0.000 1.858 782 A HA -0.129 4.191 4.320 0.000 0.000 0.216 782 A C 2.167 179.758 177.584 0.012 0.000 1.190 782 A CA 1.377 53.440 52.037 0.045 0.000 0.617 782 A CB -1.425 17.561 19.000 -0.024 0.000 0.827 782 A HN 0.586 nan 8.150 nan 0.000 0.443 783 W N 0.005 121.398 121.300 0.155 0.000 2.338 783 W HA -0.165 4.495 4.660 0.000 0.000 0.304 783 W C 2.934 179.508 176.519 0.092 0.000 1.212 783 W CA 1.561 58.988 57.345 0.136 0.000 1.264 783 W CB -0.567 28.996 29.460 0.173 0.000 1.142 783 W HN 0.296 nan 8.180 nan 0.000 0.512 784 S N -0.052 115.840 115.700 0.319 0.000 2.406 784 S HA -0.305 4.165 4.470 0.000 0.000 0.242 784 S C 1.912 176.591 174.600 0.131 0.000 1.079 784 S CA 2.211 60.523 58.200 0.187 0.000 1.133 784 S CB -0.679 62.603 63.200 0.136 0.000 1.005 784 S HN 0.240 nan 8.310 nan 0.000 0.443 785 S N 0.604 116.358 115.700 0.091 0.000 2.395 785 S HA 0.101 4.571 4.470 0.000 0.000 0.225 785 S C 1.808 176.418 174.600 0.017 0.000 1.027 785 S CA 0.789 59.010 58.200 0.034 0.000 0.965 785 S CB -0.221 62.977 63.200 -0.003 0.000 0.812 785 S HN 0.412 nan 8.310 nan 0.000 0.482 786 I N 2.158 122.730 120.570 0.002 0.000 2.113 786 I HA -0.141 4.029 4.170 0.000 0.000 0.238 786 I C 2.710 178.877 176.117 0.083 0.000 1.070 786 I CA 1.371 62.651 61.300 -0.033 0.000 1.332 786 I CB -1.701 36.191 38.000 -0.180 0.000 1.044 786 I HN 0.282 nan 8.210 nan 0.000 0.402 787 V N 0.998 121.026 119.914 0.190 0.000 2.233 787 V HA -0.125 3.995 4.120 0.000 0.000 0.247 787 V C 2.407 178.556 176.094 0.091 0.000 1.050 787 V CA 2.151 64.549 62.300 0.163 0.000 1.010 787 V CB -2.009 29.927 31.823 0.189 0.000 0.637 787 V HN 0.388 nan 8.190 nan 0.000 0.444 788 G N -1.014 107.834 108.800 0.080 0.000 2.601 788 G HA2 -0.183 3.777 3.960 0.000 0.000 0.214 788 G HA3 -0.183 3.777 3.960 0.000 0.000 0.214 788 G C 1.493 176.412 174.900 0.032 0.000 1.132 788 G CA 1.136 46.266 45.100 0.050 0.000 0.761 788 G HN 0.674 nan 8.290 nan 0.000 0.550 789 S N -1.066 114.652 115.700 0.029 0.000 2.603 789 S HA 0.417 4.888 4.470 0.000 0.000 0.232 789 S C 0.909 175.516 174.600 0.012 0.000 1.016 789 S CA -0.599 57.608 58.200 0.011 0.000 0.976 789 S CB 0.033 63.229 63.200 -0.007 0.000 0.921 789 S HN 0.192 nan 8.310 nan 0.000 0.516 790 L N 0.000 121.239 121.223 0.026 0.000 2.949 790 L HA 0.000 4.340 4.340 0.000 0.000 0.249 790 L CA 0.000 54.855 54.840 0.024 0.000 0.813 790 L CB 0.000 42.082 42.059 0.038 0.000 0.961 790 L HN 0.000 nan 8.230 nan 0.000 0.502