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 2wyo_1_D DATA FIRST_RESID -1 DATA SEQUENCE GHMVLKLLLE LGAERYAEQF AAKCHELGMV MKESAGPGRV PVPVTLQPSM DATA SEQUENCE ISRGEFGTLC CMQPLWNEAV DNTARNFTFL RDALQETAAS DVNFTGKLLN DATA SEQUENCE MLQEVYLSGG PFQQLMLGIF RTDYMREGVX XXXXSTTASR WKNVEINTIS DATA SEQUENCE CSFAGLSPLI TEFHQHIAAY LQVLQKARGK XXXXXXXXXS WIWGKGNCRL DATA SEQUENCE ERSVSGDVVP KAIADAVRAW VEQQKFASLR ASWEQFXXXX XXXXXXXQLG DATA SEQUENCE VLDTAPVVLV VVQENERNTA DQYALLMRVL EEHRIRFIFR TLQELHLSLK DATA SEQUENCE LHSISPEQPP LAVVDGHYPI AVAYFRSTYV PEDFPTDATW AARLSLERSS DATA SEQUENCE AIKCPSIPYH LLTFKKLQQL LCDVDRVLVP VAFCGDSDKA GLLQRHFVPQ DATA SEQUENCE YSLNPKEVGE EAVEKVIHDV LQRPDQXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXYVVM SRIQFHVSTG SLLARGDVVQ LERNMCSEVG DATA SEQUENCE IFGVILSAAK GSSVGTNGSS VLFNTFAGYT VRSKPADADD GGVMAGVAAL DATA SEQUENCE DSLAVVP 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 -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.966 3.960 0.011 0.000 0.244 -1 G C 0.000 174.959 174.900 0.098 0.000 0.946 -1 G CA 0.000 45.169 45.100 0.114 0.000 0.502 0 H N 1.804 120.902 119.070 0.047 0.000 2.407 0 H HA -0.272 4.289 4.556 0.008 0.000 0.293 0 H C 2.799 178.156 175.328 0.049 0.000 1.122 0 H CA 2.216 58.289 56.048 0.043 0.000 1.232 0 H CB -0.225 29.557 29.762 0.033 0.000 1.361 0 H HN 0.594 nan 8.280 nan 0.000 0.498 1 M N -0.017 119.690 119.600 0.178 0.000 2.226 1 M HA -0.219 4.268 4.480 0.011 0.000 0.257 1 M C 2.351 178.698 176.300 0.077 0.000 1.070 1 M CA 2.357 57.725 55.300 0.113 0.000 1.087 1 M CB -1.322 31.329 32.600 0.086 0.000 1.278 1 M HN -0.053 nan 8.290 nan 0.000 0.426 2 V N 1.269 121.237 119.914 0.090 0.000 2.225 2 V HA -0.322 3.805 4.120 0.011 0.000 0.252 2 V C 2.619 178.724 176.094 0.017 0.000 1.055 2 V CA 2.599 64.933 62.300 0.057 0.000 1.032 2 V CB -1.152 30.739 31.823 0.114 0.000 0.655 2 V HN 0.617 nan 8.190 nan 0.000 0.458 3 L N -0.352 120.904 121.223 0.055 0.000 2.189 3 L HA -0.200 4.146 4.340 0.011 0.000 0.214 3 L C 2.350 179.230 176.870 0.016 0.000 1.097 3 L CA 2.068 56.934 54.840 0.043 0.000 0.764 3 L CB -0.722 41.406 42.059 0.114 0.000 0.900 3 L HN 0.300 nan 8.230 nan 0.000 0.436 4 K N -1.117 119.306 120.400 0.040 0.000 2.044 4 K HA -0.079 4.247 4.320 0.011 0.000 0.204 4 K C 2.085 178.669 176.600 -0.027 0.000 1.049 4 K CA 1.111 57.412 56.287 0.024 0.000 0.945 4 K CB -0.120 32.410 32.500 0.050 0.000 0.724 4 K HN 0.302 nan 8.250 nan 0.000 0.440 5 L N 1.075 122.271 121.223 -0.045 0.000 2.079 5 L HA -0.243 4.104 4.340 0.011 0.000 0.210 5 L C 2.242 179.023 176.870 -0.149 0.000 1.081 5 L CA 1.141 55.927 54.840 -0.090 0.000 0.752 5 L CB -0.370 41.625 42.059 -0.107 0.000 0.896 5 L HN 0.218 nan 8.230 nan 0.000 0.433 6 L N -0.992 120.112 121.223 -0.198 0.000 1.973 6 L HA -0.221 4.125 4.340 0.011 0.000 0.208 6 L C 2.500 179.234 176.870 -0.226 0.000 1.073 6 L CA 1.156 55.800 54.840 -0.326 0.000 0.746 6 L CB -0.619 41.066 42.059 -0.625 0.000 0.891 6 L HN 0.192 nan 8.230 nan 0.000 0.433 7 L N -0.102 121.031 121.223 -0.150 0.000 2.021 7 L HA -0.314 4.032 4.340 0.011 0.000 0.215 7 L C 2.658 179.508 176.870 -0.033 0.000 1.074 7 L CA 1.844 56.663 54.840 -0.035 0.000 0.760 7 L CB -0.577 41.493 42.059 0.019 0.000 0.889 7 L HN 0.435 nan 8.230 nan 0.000 0.433 8 E N 0.572 120.743 120.200 -0.048 0.000 2.047 8 E HA -0.202 4.155 4.350 0.011 0.000 0.191 8 E C 2.171 178.741 176.600 -0.050 0.000 0.987 8 E CA 0.951 57.327 56.400 -0.040 0.000 0.799 8 E CB -0.049 29.627 29.700 -0.041 0.000 0.752 8 E HN 0.462 nan 8.360 nan 0.000 0.449 9 L N -0.189 120.985 121.223 -0.083 0.000 2.610 9 L HA 0.133 4.479 4.340 0.011 0.000 0.232 9 L C 1.289 178.113 176.870 -0.076 0.000 1.149 9 L CA 0.452 55.237 54.840 -0.091 0.000 0.872 9 L CB -0.004 41.968 42.059 -0.145 0.000 0.992 9 L HN 0.479 nan 8.230 nan 0.000 0.447 10 G N 0.037 108.805 108.800 -0.054 0.000 2.147 10 G HA2 -0.267 3.700 3.960 0.011 0.000 0.244 10 G HA3 -0.267 3.700 3.960 0.011 0.000 0.244 10 G C 0.434 175.332 174.900 -0.002 0.000 1.005 10 G CA 0.001 45.090 45.100 -0.017 0.000 0.713 10 G HN 0.524 nan 8.290 nan 0.000 0.515 11 A N -0.255 122.537 122.820 -0.046 0.000 2.520 11 A HA 0.572 4.898 4.320 0.011 0.000 0.235 11 A C 0.589 178.291 177.584 0.197 0.000 1.065 11 A CA 1.239 53.285 52.037 0.016 0.000 0.764 11 A CB 0.394 19.289 19.000 -0.175 0.000 1.002 11 A HN 1.514 nan 8.150 nan 0.000 0.502 12 E N 0.993 121.369 120.200 0.293 0.000 2.343 12 E HA 0.418 4.774 4.350 0.011 0.000 0.288 12 E C -0.379 176.306 176.600 0.143 0.000 0.907 12 E CA -0.754 55.768 56.400 0.202 0.000 0.792 12 E CB 0.576 30.348 29.700 0.119 0.000 1.275 12 E HN 0.702 nan 8.360 nan 0.000 0.402 13 R N 2.530 123.050 120.500 0.032 0.000 3.758 13 R HA -0.266 4.080 4.340 0.011 0.000 0.299 13 R C 0.509 176.712 176.300 -0.162 0.000 1.182 13 R CA 1.321 57.371 56.100 -0.084 0.000 0.809 13 R CB -2.759 27.512 30.300 -0.048 0.000 1.249 13 R HN 0.749 nan 8.270 nan 0.000 0.497 14 Y N -2.897 117.284 120.300 -0.198 0.000 2.293 14 Y HA 0.068 4.623 4.550 0.009 0.000 0.291 14 Y C 2.260 177.749 175.900 -0.686 0.000 1.137 14 Y CA 0.791 58.568 58.100 -0.539 0.000 1.202 14 Y CB -0.379 37.839 38.460 -0.405 0.000 0.990 14 Y HN 0.140 nan 8.280 nan 0.000 0.537 15 A N 0.705 123.182 122.820 -0.572 0.000 2.019 15 A HA -0.171 4.156 4.320 0.011 0.000 0.219 15 A C 1.804 179.324 177.584 -0.107 0.000 1.164 15 A CA 1.898 53.795 52.037 -0.233 0.000 0.644 15 A CB -0.526 18.341 19.000 -0.221 0.000 0.805 15 A HN 0.562 nan 8.150 nan 0.000 0.449 16 E N -0.933 119.174 120.200 -0.154 0.000 2.102 16 E HA -0.068 4.288 4.350 0.011 0.000 0.190 16 E C 2.095 178.671 176.600 -0.040 0.000 0.971 16 E CA 0.978 57.339 56.400 -0.064 0.000 0.821 16 E CB -0.328 29.332 29.700 -0.067 0.000 0.777 16 E HN 0.768 nan 8.360 nan 0.000 0.460 17 Q N -0.082 119.645 119.800 -0.121 0.000 2.077 17 Q HA -0.196 4.150 4.340 0.011 0.000 0.206 17 Q C 1.348 177.403 176.000 0.092 0.000 0.989 17 Q CA 1.594 57.342 55.803 -0.091 0.000 0.853 17 Q CB -0.112 28.480 28.738 -0.243 0.000 0.907 17 Q HN 0.225 nan 8.270 nan 0.000 0.418 18 F N -0.015 119.998 119.950 0.105 0.000 2.293 18 F HA 0.054 4.587 4.527 0.010 0.000 0.300 18 F C 2.295 178.200 175.800 0.177 0.000 1.086 18 F CA 0.661 58.794 58.000 0.222 0.000 1.375 18 F CB -1.145 38.081 39.000 0.376 0.000 1.045 18 F HN 0.220 nan 8.300 nan 0.000 0.516 19 A N 0.032 122.985 122.820 0.222 0.000 1.929 19 A HA 0.111 4.437 4.320 0.011 0.000 0.216 19 A C 2.487 180.114 177.584 0.072 0.000 1.176 19 A CA 1.325 53.406 52.037 0.074 0.000 0.628 19 A CB -1.097 17.942 19.000 0.064 0.000 0.816 19 A HN 0.242 nan 8.150 nan 0.000 0.444 20 A N 0.192 123.075 122.820 0.105 0.000 1.883 20 A HA -0.220 4.106 4.320 0.011 0.000 0.217 20 A C 2.083 179.704 177.584 0.061 0.000 1.186 20 A CA 2.439 54.533 52.037 0.094 0.000 0.624 20 A CB -0.469 18.552 19.000 0.035 0.000 0.822 20 A HN 0.420 nan 8.150 nan 0.000 0.444 21 K N -0.354 120.066 120.400 0.034 0.000 2.097 21 K HA -0.114 4.212 4.320 0.011 0.000 0.206 21 K C 1.867 178.502 176.600 0.059 0.000 1.049 21 K CA 1.748 58.034 56.287 -0.002 0.000 0.933 21 K CB -0.950 31.476 32.500 -0.123 0.000 0.717 21 K HN 0.556 nan 8.250 nan 0.000 0.442 22 C N -0.269 119.045 119.300 0.023 0.000 2.413 22 C HA -0.104 4.363 4.460 0.011 0.000 0.277 22 C C 2.336 177.258 174.990 -0.113 0.000 1.228 22 C CA 1.240 60.176 59.018 -0.136 0.000 1.731 22 C CB -1.183 26.370 27.740 -0.312 0.000 2.042 22 C HN 0.598 nan 8.230 nan 0.000 0.468 23 H N -0.224 118.840 119.070 -0.011 0.000 2.421 23 H HA -0.141 4.421 4.556 0.010 0.000 0.298 23 H C 2.298 177.617 175.328 -0.015 0.000 1.087 23 H CA 1.625 57.662 56.048 -0.018 0.000 1.330 23 H CB -0.041 29.711 29.762 -0.016 0.000 1.388 23 H HN 0.598 nan 8.280 nan 0.000 0.526 24 E N 0.591 120.853 120.200 0.104 0.000 2.112 24 E HA -0.090 4.267 4.350 0.011 0.000 0.190 24 E C 1.516 178.137 176.600 0.036 0.000 0.979 24 E CA 0.432 56.865 56.400 0.056 0.000 0.814 24 E CB 0.145 29.865 29.700 0.034 0.000 0.762 24 E HN 0.452 nan 8.360 nan 0.000 0.460 25 L N -0.569 120.671 121.223 0.028 0.000 2.558 25 L HA 0.172 4.518 4.340 0.011 0.000 0.225 25 L C 1.312 178.185 176.870 0.006 0.000 1.128 25 L CA 0.456 55.308 54.840 0.019 0.000 0.868 25 L CB 0.281 42.356 42.059 0.027 0.000 1.006 25 L HN 0.386 nan 8.230 nan 0.000 0.454 26 G N 0.476 109.281 108.800 0.009 0.000 2.160 26 G HA2 -0.323 3.643 3.960 0.011 0.000 0.251 26 G HA3 -0.323 3.643 3.960 0.011 0.000 0.251 26 G C 0.279 175.168 174.900 -0.019 0.000 1.008 26 G CA -0.063 45.041 45.100 0.007 0.000 0.724 26 G HN 0.288 nan 8.290 nan 0.000 0.514 27 M N 0.855 120.418 119.600 -0.062 0.000 2.497 27 M HA 0.475 4.961 4.480 0.011 0.000 0.336 27 M C 0.445 176.672 176.300 -0.123 0.000 1.378 27 M CA -0.117 55.121 55.300 -0.103 0.000 1.375 27 M CB 0.500 32.989 32.600 -0.186 0.000 1.337 27 M HN 0.430 nan 8.290 nan 0.000 0.461 28 V N 0.902 120.779 119.914 -0.061 0.000 3.202 28 V HA 0.834 4.960 4.120 0.011 0.000 0.306 28 V C -1.113 174.974 176.094 -0.013 0.000 1.283 28 V CA -1.063 61.207 62.300 -0.050 0.000 1.065 28 V CB 2.508 34.337 31.823 0.010 0.000 1.079 28 V HN 0.731 nan 8.190 nan 0.000 0.448 29 M N 1.428 121.025 119.600 -0.006 0.000 2.371 29 M HA 0.513 4.999 4.480 0.011 0.000 0.287 29 M C -0.857 175.447 176.300 0.006 0.000 1.149 29 M CA -0.315 54.987 55.300 0.003 0.000 0.929 29 M CB 2.254 34.854 32.600 0.001 0.000 1.683 29 M HN 0.894 nan 8.290 nan 0.000 0.470 30 K N 2.405 122.805 120.400 -0.001 0.000 2.382 30 K HA 0.172 4.499 4.320 0.011 0.000 0.275 30 K C -0.629 175.968 176.600 -0.004 0.000 1.009 30 K CA 0.070 56.355 56.287 -0.004 0.000 0.970 30 K CB 0.616 33.107 32.500 -0.016 0.000 0.934 30 K HN 0.708 nan 8.250 nan 0.000 0.479 31 E N 0.756 120.955 120.200 -0.002 0.000 2.408 31 E HA -0.076 4.280 4.350 0.011 0.000 0.259 31 E C 1.168 177.762 176.600 -0.011 0.000 1.110 31 E CA 0.183 56.580 56.400 -0.004 0.000 0.929 31 E CB 0.697 30.395 29.700 -0.003 0.000 0.971 31 E HN 0.733 nan 8.360 nan 0.000 0.438 32 S N 1.110 116.803 115.700 -0.011 0.000 2.402 32 S HA -0.187 4.289 4.470 0.011 0.000 0.233 32 S C 1.146 175.737 174.600 -0.015 0.000 1.030 32 S CA 0.815 59.006 58.200 -0.014 0.000 1.003 32 S CB -0.061 63.131 63.200 -0.013 0.000 0.813 32 S HN 0.522 nan 8.310 nan 0.000 0.477 33 A N 1.821 124.633 122.820 -0.012 0.000 2.798 33 A HA 0.652 4.978 4.320 0.011 0.000 0.316 33 A C 1.212 178.788 177.584 -0.013 0.000 1.506 33 A CA -0.125 51.905 52.037 -0.013 0.000 1.162 33 A CB -1.208 17.786 19.000 -0.011 0.000 1.138 33 A HN 1.344 nan 8.150 nan 0.000 0.532 34 G N 3.364 112.154 108.800 -0.016 0.000 2.564 34 G HA2 -0.265 3.701 3.960 0.011 0.000 0.273 34 G HA3 -0.265 3.701 3.960 0.011 0.000 0.273 34 G C -0.717 174.173 174.900 -0.017 0.000 1.242 34 G CA 0.125 45.215 45.100 -0.017 0.000 0.951 34 G HN 0.551 nan 8.290 nan 0.000 0.564 35 P HA 0.041 nan 4.420 nan 0.000 0.217 35 P C 1.472 178.761 177.300 -0.019 0.000 1.150 35 P CA 1.948 65.036 63.100 -0.020 0.000 0.832 35 P CB -0.574 31.113 31.700 -0.021 0.000 0.787 36 G N 1.336 110.126 108.800 -0.016 0.000 2.474 36 G HA2 0.132 4.098 3.960 0.011 0.000 0.233 36 G HA3 0.132 4.098 3.960 0.011 0.000 0.233 36 G C -0.043 174.859 174.900 0.003 0.000 1.278 36 G CA -0.186 44.907 45.100 -0.012 0.000 0.861 36 G HN 0.093 nan 8.290 nan 0.000 0.567 37 R N -0.039 120.474 120.500 0.021 0.000 2.621 37 R HA 0.563 4.909 4.340 0.011 0.000 0.292 37 R C -0.296 176.096 176.300 0.154 0.000 0.969 37 R CA -0.745 55.391 56.100 0.060 0.000 0.887 37 R CB 1.562 31.898 30.300 0.060 0.000 1.180 37 R HN 0.653 nan 8.270 nan 0.000 0.450 38 V N -0.742 119.239 119.914 0.112 0.000 3.001 38 V HA 0.720 4.846 4.120 0.011 0.000 0.314 38 V C -2.597 173.466 176.094 -0.053 0.000 1.099 38 V CA -2.996 59.365 62.300 0.102 0.000 0.989 38 V CB 2.348 34.195 31.823 0.040 0.000 1.040 38 V HN 0.445 nan 8.190 nan 0.000 0.434 39 P HA 0.230 nan 4.420 nan 0.000 0.269 39 P C 0.020 177.224 177.300 -0.161 0.000 1.209 39 P CA 0.028 62.969 63.100 -0.264 0.000 0.776 39 P CB 0.527 32.043 31.700 -0.305 0.000 0.876 40 V N 0.635 120.449 119.914 -0.167 0.000 3.139 40 V HA 0.221 4.348 4.120 0.011 0.000 0.307 40 V C -2.217 173.776 176.094 -0.168 0.000 1.095 40 V CA -1.606 60.612 62.300 -0.137 0.000 1.160 40 V CB -1.038 30.702 31.823 -0.139 0.000 1.003 40 V HN 0.421 nan 8.190 nan 0.000 0.489 41 P HA 0.437 nan 4.420 nan 0.000 0.276 41 P C -0.632 176.558 177.300 -0.182 0.000 1.243 41 P CA 0.151 63.172 63.100 -0.131 0.000 0.768 41 P CB 1.202 32.845 31.700 -0.095 0.000 0.856 42 V N 3.432 123.232 119.914 -0.189 0.000 3.040 42 V HA 0.642 4.768 4.120 0.011 0.000 0.312 42 V C -0.443 175.640 176.094 -0.019 0.000 1.115 42 V CA -0.637 61.541 62.300 -0.204 0.000 0.998 42 V CB 2.430 33.949 31.823 -0.505 0.000 1.042 42 V HN 0.646 nan 8.190 nan 0.000 0.433 43 T N 3.379 117.991 114.554 0.097 0.000 2.909 43 T HA 0.458 4.815 4.350 0.011 0.000 0.289 43 T C 0.744 175.645 174.700 0.334 0.000 1.005 43 T CA -0.528 61.676 62.100 0.173 0.000 1.084 43 T CB 1.034 69.981 68.868 0.131 0.000 0.975 43 T HN 0.590 nan 8.240 nan 0.000 0.509 44 L N 1.298 122.634 121.223 0.190 0.000 2.645 44 L HA 0.194 4.541 4.340 0.011 0.000 0.235 44 L C 1.021 177.858 176.870 -0.056 0.000 1.150 44 L CA -0.099 54.823 54.840 0.137 0.000 0.911 44 L CB -0.657 41.496 42.059 0.157 0.000 1.077 44 L HN 0.737 nan 8.230 nan 0.000 0.438 45 Q N -1.244 118.384 119.800 -0.286 0.000 2.522 45 Q HA 0.488 4.834 4.340 0.011 0.000 0.285 45 Q C -3.146 172.294 176.000 -0.934 0.000 0.982 45 Q CA -2.009 53.383 55.803 -0.685 0.000 0.805 45 Q CB 1.956 30.546 28.738 -0.247 0.000 1.457 45 Q HN -0.240 nan 8.270 nan 0.000 0.394 46 P HA 0.214 nan 4.420 nan 0.000 0.277 46 P C -0.570 176.486 177.300 -0.406 0.000 1.271 46 P CA -0.314 62.372 63.100 -0.690 0.000 0.795 46 P CB 0.775 32.019 31.700 -0.759 0.000 1.101 47 S N 0.296 115.876 115.700 -0.200 0.000 2.525 47 S HA 0.567 5.043 4.470 0.011 0.000 0.290 47 S C -0.254 174.273 174.600 -0.121 0.000 1.152 47 S CA -0.611 57.523 58.200 -0.111 0.000 1.072 47 S CB -0.273 62.917 63.200 -0.017 0.000 1.027 47 S HN 0.174 nan 8.310 nan 0.000 0.500 48 M N 4.508 124.075 119.600 -0.054 0.000 2.277 48 M HA 0.533 5.020 4.480 0.011 0.000 0.350 48 M C -0.349 175.963 176.300 0.020 0.000 1.180 48 M CA -0.314 54.963 55.300 -0.038 0.000 1.103 48 M CB 0.817 33.422 32.600 0.009 0.000 1.577 48 M HN 0.683 nan 8.290 nan 0.000 0.459 49 I N 1.383 121.935 120.570 -0.031 0.000 2.827 49 I HA 0.336 4.513 4.170 0.011 0.000 0.298 49 I C -0.192 175.938 176.117 0.023 0.000 1.235 49 I CA -0.371 60.945 61.300 0.026 0.000 1.021 49 I CB 2.234 40.155 38.000 -0.133 0.000 1.259 49 I HN 0.858 nan 8.210 nan 0.000 0.427 50 S N 5.937 121.692 115.700 0.091 0.000 2.564 50 S HA 0.230 4.706 4.470 0.011 0.000 0.278 50 S C 1.112 175.758 174.600 0.078 0.000 1.333 50 S CA -0.394 57.851 58.200 0.076 0.000 1.048 50 S CB 1.465 64.718 63.200 0.089 0.000 0.900 50 S HN 0.880 nan 8.310 nan 0.000 0.505 51 R N 2.183 122.725 120.500 0.071 0.000 2.117 51 R HA -0.130 4.216 4.340 0.011 0.000 0.243 51 R C 2.142 178.469 176.300 0.045 0.000 1.143 51 R CA 1.850 58.000 56.100 0.083 0.000 0.968 51 R CB -1.194 29.139 30.300 0.055 0.000 0.863 51 R HN 0.883 nan 8.270 nan 0.000 0.444 52 G N -0.092 108.728 108.800 0.033 0.000 2.408 52 G HA2 -0.220 3.747 3.960 0.011 0.000 0.217 52 G HA3 -0.220 3.747 3.960 0.011 0.000 0.217 52 G C 1.111 176.015 174.900 0.007 0.000 1.150 52 G CA 0.610 45.716 45.100 0.011 0.000 0.776 52 G HN 0.419 nan 8.290 nan 0.000 0.542 53 E N -0.609 119.618 120.200 0.046 0.000 2.076 53 E HA 0.007 4.364 4.350 0.011 0.000 0.190 53 E C 2.031 178.572 176.600 -0.099 0.000 0.979 53 E CA 0.276 56.696 56.400 0.034 0.000 0.807 53 E CB -0.188 29.618 29.700 0.176 0.000 0.761 53 E HN 0.330 nan 8.360 nan 0.000 0.454 54 F N 1.470 121.261 119.950 -0.265 0.000 2.161 54 F HA -0.085 4.449 4.527 0.012 0.000 0.300 54 F C 1.973 177.581 175.800 -0.319 0.000 1.089 54 F CA 1.617 59.399 58.000 -0.364 0.000 1.282 54 F CB -0.801 38.016 39.000 -0.305 0.000 1.010 54 F HN -0.037 nan 8.300 nan 0.000 0.485 55 G N -0.743 107.891 108.800 -0.277 0.000 2.480 55 G HA2 -0.279 3.688 3.960 0.011 0.000 0.216 55 G HA3 -0.279 3.688 3.960 0.011 0.000 0.216 55 G C 1.685 176.397 174.900 -0.314 0.000 1.200 55 G CA 1.469 46.362 45.100 -0.346 0.000 0.782 55 G HN 0.372 nan 8.290 nan 0.000 0.554 56 T N 1.485 115.926 114.554 -0.188 0.000 2.759 56 T HA -0.037 4.319 4.350 0.011 0.000 0.269 56 T C 2.397 176.990 174.700 -0.179 0.000 1.042 56 T CA 0.865 62.897 62.100 -0.114 0.000 1.140 56 T CB -0.205 68.671 68.868 0.012 0.000 0.864 56 T HN 0.115 nan 8.240 nan 0.000 0.455 57 L N 0.280 121.317 121.223 -0.311 0.000 2.083 57 L HA -0.135 4.211 4.340 0.011 0.000 0.209 57 L C 2.857 179.549 176.870 -0.295 0.000 1.083 57 L CA 1.040 55.617 54.840 -0.438 0.000 0.752 57 L CB -0.685 41.002 42.059 -0.620 0.000 0.899 57 L HN 0.417 nan 8.230 nan 0.000 0.433 58 C N -0.898 118.118 119.300 -0.473 0.000 2.453 58 C HA -0.158 4.308 4.460 0.011 0.000 0.277 58 C C 2.984 177.819 174.990 -0.259 0.000 1.262 58 C CA 0.503 59.163 59.018 -0.595 0.000 1.718 58 C CB -0.805 26.211 27.740 -1.208 0.000 2.031 58 C HN 0.644 nan 8.230 nan 0.000 0.480 59 C N 0.335 119.497 119.300 -0.231 0.000 2.437 59 C HA -0.060 4.407 4.460 0.011 0.000 0.283 59 C C 2.654 177.642 174.990 -0.002 0.000 1.424 59 C CA 0.716 59.676 59.018 -0.097 0.000 1.782 59 C CB -1.199 26.476 27.740 -0.108 0.000 1.833 59 C HN 0.569 nan 8.230 nan 0.000 0.532 60 M N 0.244 119.863 119.600 0.032 0.000 2.419 60 M HA -0.045 4.441 4.480 0.011 0.000 0.264 60 M C 2.185 178.661 176.300 0.295 0.000 1.082 60 M CA 1.149 56.518 55.300 0.115 0.000 1.119 60 M CB -1.233 31.460 32.600 0.154 0.000 1.398 60 M HN 0.323 nan 8.290 nan 0.000 0.453 61 Q N 0.934 120.943 119.800 0.348 0.000 2.124 61 Q HA -0.077 4.270 4.340 0.011 0.000 0.202 61 Q C -1.001 175.240 176.000 0.402 0.000 0.977 61 Q CA 1.837 57.926 55.803 0.477 0.000 0.850 61 Q CB -1.263 27.740 28.738 0.442 0.000 0.901 61 Q HN 0.237 nan 8.270 nan 0.000 0.429 62 P HA -0.079 nan 4.420 nan 0.000 0.221 62 P C 0.715 178.147 177.300 0.220 0.000 1.150 62 P CA 0.973 64.211 63.100 0.229 0.000 0.800 62 P CB -0.029 31.767 31.700 0.160 0.000 0.787 63 L N -3.292 118.028 121.223 0.162 0.000 2.217 63 L HA -0.055 4.292 4.340 0.011 0.000 0.211 63 L C 2.205 179.227 176.870 0.253 0.000 1.107 63 L CA 1.296 56.221 54.840 0.141 0.000 0.783 63 L CB -0.773 41.215 42.059 -0.118 0.000 0.919 63 L HN 0.060 nan 8.230 nan 0.000 0.442 64 W N 0.744 122.206 121.300 0.271 0.000 2.409 64 W HA -0.099 4.568 4.660 0.011 0.000 0.299 64 W C 2.545 179.193 176.519 0.215 0.000 1.203 64 W CA 0.378 57.861 57.345 0.230 0.000 1.298 64 W CB -0.120 29.460 29.460 0.201 0.000 1.127 64 W HN 0.160 nan 8.180 nan 0.000 0.528 65 N N 0.365 119.379 118.700 0.523 0.000 2.120 65 N HA -0.207 4.539 4.740 0.011 0.000 0.188 65 N C 1.514 177.209 175.510 0.309 0.000 1.024 65 N CA 1.747 55.087 53.050 0.482 0.000 0.852 65 N CB -0.870 37.816 38.487 0.331 0.000 1.003 65 N HN 0.328 nan 8.380 nan 0.000 0.424 66 E N 0.680 121.037 120.200 0.261 0.000 2.051 66 E HA -0.106 4.250 4.350 0.011 0.000 0.192 66 E C 1.817 178.431 176.600 0.023 0.000 0.991 66 E CA 1.183 57.698 56.400 0.191 0.000 0.799 66 E CB -0.078 29.802 29.700 0.299 0.000 0.748 66 E HN 0.311 nan 8.360 nan 0.000 0.449 67 A N 0.477 123.245 122.820 -0.087 0.000 1.940 67 A HA -0.145 4.181 4.320 0.011 0.000 0.219 67 A C 2.392 179.831 177.584 -0.242 0.000 1.176 67 A CA 1.537 53.269 52.037 -0.509 0.000 0.631 67 A CB -0.610 18.053 19.000 -0.562 0.000 0.814 67 A HN 0.248 nan 8.150 nan 0.000 0.446 68 V N 0.374 120.241 119.914 -0.079 0.000 2.379 68 V HA -0.215 3.911 4.120 0.011 0.000 0.245 68 V C 2.337 178.293 176.094 -0.230 0.000 1.044 68 V CA 2.310 64.500 62.300 -0.182 0.000 1.036 68 V CB -0.733 30.885 31.823 -0.342 0.000 0.664 68 V HN 0.711 nan 8.190 nan 0.000 0.453 69 D N 0.414 120.748 120.400 -0.111 0.000 2.123 69 D HA -0.179 4.467 4.640 0.011 0.000 0.196 69 D C 1.919 178.195 176.300 -0.041 0.000 0.992 69 D CA 1.629 55.606 54.000 -0.037 0.000 0.833 69 D CB -0.095 40.765 40.800 0.100 0.000 0.954 69 D HN 0.373 nan 8.370 nan 0.000 0.455 70 N N -0.613 118.023 118.700 -0.107 0.000 2.092 70 N HA -0.080 4.666 4.740 0.011 0.000 0.189 70 N C 1.880 177.269 175.510 -0.203 0.000 1.040 70 N CA 1.816 54.779 53.050 -0.145 0.000 0.845 70 N CB -1.019 37.359 38.487 -0.182 0.000 1.017 70 N HN 0.227 nan 8.380 nan 0.000 0.426 71 T N 1.464 115.878 114.554 -0.234 0.000 2.653 71 T HA -0.176 4.180 4.350 0.011 0.000 0.268 71 T C 1.975 176.592 174.700 -0.138 0.000 1.035 71 T CA 1.726 63.698 62.100 -0.214 0.000 1.154 71 T CB -0.551 68.227 68.868 -0.151 0.000 0.862 71 T HN 0.359 nan 8.240 nan 0.000 0.441 72 A N 1.590 124.329 122.820 -0.135 0.000 1.908 72 A HA -0.103 4.223 4.320 0.011 0.000 0.218 72 A C 2.335 179.730 177.584 -0.314 0.000 1.181 72 A CA 1.354 53.331 52.037 -0.100 0.000 0.627 72 A CB -0.478 18.550 19.000 0.047 0.000 0.818 72 A HN 0.432 nan 8.150 nan 0.000 0.445 73 R N -0.556 119.713 120.500 -0.385 0.000 2.313 73 R HA 0.030 4.376 4.340 0.011 0.000 0.199 73 R C 0.221 175.902 176.300 -1.032 0.000 0.958 73 R CA 0.184 55.799 56.100 -0.808 0.000 1.047 73 R CB -0.082 30.036 30.300 -0.303 0.000 0.955 73 R HN 0.349 nan 8.270 nan 0.000 0.481 74 N N 0.800 119.164 118.700 -0.560 0.000 3.322 74 N HA 0.011 4.757 4.740 0.011 0.000 0.290 74 N C 0.239 175.667 175.510 -0.136 0.000 1.297 74 N CA -0.162 52.725 53.050 -0.271 0.000 1.167 74 N CB -0.042 38.348 38.487 -0.161 0.000 1.434 74 N HN -0.030 nan 8.380 nan 0.000 0.526 75 F N -0.159 119.816 119.950 0.041 0.000 2.120 75 F HA -0.208 4.325 4.527 0.011 0.000 0.300 75 F C 2.691 178.504 175.800 0.022 0.000 1.095 75 F CA 1.636 59.634 58.000 -0.003 0.000 1.249 75 F CB -0.969 38.011 39.000 -0.033 0.000 0.995 75 F HN 0.353 nan 8.300 nan 0.000 0.480 76 T N -1.918 112.772 114.554 0.227 0.000 2.904 76 T HA -0.221 4.136 4.350 0.011 0.000 0.267 76 T C 1.852 176.616 174.700 0.107 0.000 1.059 76 T CA 0.968 63.151 62.100 0.139 0.000 1.137 76 T CB -1.066 67.877 68.868 0.125 0.000 0.879 76 T HN 0.310 nan 8.240 nan 0.000 0.467 77 F N 1.481 121.429 119.950 -0.004 0.000 2.113 77 F HA 0.109 4.642 4.527 0.011 0.000 0.297 77 F C 1.951 177.725 175.800 -0.043 0.000 1.103 77 F CA 0.850 58.833 58.000 -0.028 0.000 1.248 77 F CB -0.559 38.413 39.000 -0.046 0.000 0.999 77 F HN 0.128 nan 8.300 nan 0.000 0.475 78 L N 1.273 122.527 121.223 0.052 0.000 2.042 78 L HA -0.197 4.150 4.340 0.011 0.000 0.210 78 L C 2.672 179.422 176.870 -0.199 0.000 1.076 78 L CA 1.897 56.683 54.840 -0.090 0.000 0.749 78 L CB -1.025 41.044 42.059 0.016 0.000 0.893 78 L HN 0.236 nan 8.230 nan 0.000 0.432 79 R N -0.560 119.867 120.500 -0.122 0.000 2.070 79 R HA -0.181 4.166 4.340 0.011 0.000 0.232 79 R C 1.904 178.095 176.300 -0.182 0.000 1.138 79 R CA 2.027 58.047 56.100 -0.132 0.000 0.936 79 R CB -0.479 29.783 30.300 -0.064 0.000 0.839 79 R HN 0.332 nan 8.270 nan 0.000 0.429 80 D N 0.499 120.787 120.400 -0.186 0.000 2.158 80 D HA -0.179 4.467 4.640 0.011 0.000 0.197 80 D C 1.712 177.858 176.300 -0.256 0.000 0.995 80 D CA 1.645 55.530 54.000 -0.191 0.000 0.846 80 D CB -0.310 40.392 40.800 -0.163 0.000 0.941 80 D HN 0.453 nan 8.370 nan 0.000 0.456 81 A N -0.040 122.536 122.820 -0.406 0.000 1.933 81 A HA -0.072 4.255 4.320 0.011 0.000 0.218 81 A C 2.062 179.497 177.584 -0.249 0.000 1.175 81 A CA 0.913 52.707 52.037 -0.405 0.000 0.628 81 A CB -0.433 18.201 19.000 -0.610 0.000 0.814 81 A HN 0.273 nan 8.150 nan 0.000 0.444 82 L N -0.614 120.463 121.223 -0.244 0.000 2.667 82 L HA 0.057 4.404 4.340 0.011 0.000 0.232 82 L C 2.162 178.925 176.870 -0.179 0.000 1.138 82 L CA -0.067 54.640 54.840 -0.221 0.000 0.921 82 L CB 0.013 41.884 42.059 -0.313 0.000 1.180 82 L HN 0.434 nan 8.230 nan 0.000 0.487 83 Q N 0.304 120.012 119.800 -0.153 0.000 2.049 83 Q HA -0.243 4.103 4.340 0.011 0.000 0.198 83 Q C 1.805 177.746 176.000 -0.099 0.000 0.971 83 Q CA 1.663 57.392 55.803 -0.124 0.000 0.833 83 Q CB 0.085 28.759 28.738 -0.107 0.000 0.896 83 Q HN 0.450 nan 8.270 nan 0.000 0.434 84 E N 0.793 120.941 120.200 -0.087 0.000 2.077 84 E HA -0.149 4.208 4.350 0.011 0.000 0.193 84 E C 1.639 178.192 176.600 -0.079 0.000 0.989 84 E CA 1.811 58.168 56.400 -0.072 0.000 0.800 84 E CB -0.056 29.609 29.700 -0.057 0.000 0.746 84 E HN 0.167 nan 8.360 nan 0.000 0.452 85 T N -0.174 114.330 114.554 -0.083 0.000 3.051 85 T HA 0.037 4.393 4.350 0.011 0.000 0.269 85 T C 1.503 176.172 174.700 -0.052 0.000 1.127 85 T CA 0.843 62.908 62.100 -0.059 0.000 1.107 85 T CB -0.068 68.782 68.868 -0.030 0.000 0.898 85 T HN 0.353 nan 8.240 nan 0.000 0.517 86 A N 1.036 123.802 122.820 -0.091 0.000 1.956 86 A HA 0.581 4.907 4.320 0.011 0.000 0.212 86 A C 2.594 180.133 177.584 -0.075 0.000 1.188 86 A CA 0.892 52.871 52.037 -0.098 0.000 0.675 86 A CB -0.847 18.064 19.000 -0.148 0.000 0.845 86 A HN 0.428 nan 8.150 nan 0.000 0.455 87 A N 0.745 123.522 122.820 -0.073 0.000 1.948 87 A HA -0.178 4.149 4.320 0.011 0.000 0.220 87 A C 2.518 180.075 177.584 -0.044 0.000 1.177 87 A CA 2.566 54.568 52.037 -0.058 0.000 0.636 87 A CB -0.921 18.046 19.000 -0.055 0.000 0.815 87 A HN 1.000 nan 8.150 nan 0.000 0.449 88 S N -0.931 114.743 115.700 -0.043 0.000 2.387 88 S HA -0.095 4.381 4.470 0.011 0.000 0.226 88 S C 0.618 175.213 174.600 -0.008 0.000 1.026 88 S CA 1.261 59.441 58.200 -0.033 0.000 0.972 88 S CB -0.205 62.965 63.200 -0.049 0.000 0.814 88 S HN 0.482 nan 8.310 nan 0.000 0.477 89 D N 0.224 120.628 120.400 0.008 0.000 2.378 89 D HA 0.367 5.013 4.640 0.011 0.000 0.265 89 D C 0.274 176.591 176.300 0.028 0.000 1.229 89 D CA -0.411 53.616 54.000 0.045 0.000 0.914 89 D CB 1.392 42.256 40.800 0.108 0.000 1.140 89 D HN 0.005 nan 8.370 nan 0.000 0.516 90 V N 3.701 123.611 119.914 -0.007 0.000 2.719 90 V HA -0.023 4.104 4.120 0.011 0.000 0.252 90 V C 1.097 177.145 176.094 -0.077 0.000 1.065 90 V CA 1.413 63.677 62.300 -0.060 0.000 1.086 90 V CB -0.313 31.468 31.823 -0.070 0.000 0.700 90 V HN 0.436 nan 8.190 nan 0.000 0.467 91 N N -1.338 117.364 118.700 0.004 0.000 2.461 91 N HA 0.081 4.828 4.740 0.011 0.000 0.188 91 N C 0.645 176.272 175.510 0.195 0.000 1.134 91 N CA 0.743 53.812 53.050 0.032 0.000 0.878 91 N CB 0.311 38.849 38.487 0.085 0.000 0.972 91 N HN 0.616 nan 8.380 nan 0.000 0.456 92 F N -0.511 119.453 119.950 0.023 0.000 1.939 92 F HA 0.175 4.709 4.527 0.011 0.000 0.225 92 F C 1.865 177.682 175.800 0.029 0.000 1.213 92 F CA 0.314 58.403 58.000 0.148 0.000 1.303 92 F CB -0.424 38.716 39.000 0.233 0.000 1.808 92 F HN -0.215 nan 8.300 nan 0.000 0.329 93 T N 0.707 115.271 114.554 0.018 0.000 2.751 93 T HA -0.176 4.181 4.350 0.011 0.000 0.268 93 T C 1.938 176.467 174.700 -0.285 0.000 1.045 93 T CA 1.682 63.686 62.100 -0.160 0.000 1.142 93 T CB -1.227 67.660 68.868 0.032 0.000 0.851 93 T HN 0.518 nan 8.240 nan 0.000 0.474 94 G N 1.821 110.483 108.800 -0.230 0.000 2.404 94 G HA2 -0.189 3.777 3.960 0.011 0.000 0.215 94 G HA3 -0.189 3.777 3.960 0.011 0.000 0.215 94 G C 1.656 176.322 174.900 -0.390 0.000 1.174 94 G CA 0.464 45.404 45.100 -0.267 0.000 0.780 94 G HN 0.360 nan 8.290 nan 0.000 0.537 95 K N 0.295 120.342 120.400 -0.588 0.000 2.148 95 K HA 0.100 4.426 4.320 0.011 0.000 0.204 95 K C 2.511 178.697 176.600 -0.691 0.000 1.050 95 K CA 0.418 56.181 56.287 -0.874 0.000 0.942 95 K CB -0.463 30.919 32.500 -1.863 0.000 0.724 95 K HN 0.338 nan 8.250 nan 0.000 0.446 96 L N 0.464 121.328 121.223 -0.597 0.000 2.005 96 L HA -0.154 4.192 4.340 0.011 0.000 0.207 96 L C 2.467 179.145 176.870 -0.321 0.000 1.072 96 L CA 0.540 55.135 54.840 -0.408 0.000 0.744 96 L CB -0.503 41.246 42.059 -0.515 0.000 0.895 96 L HN 0.055 nan 8.230 nan 0.000 0.433 97 L N 0.108 121.126 121.223 -0.342 0.000 2.127 97 L HA -0.237 4.110 4.340 0.011 0.000 0.211 97 L C 2.239 178.988 176.870 -0.202 0.000 1.089 97 L CA 1.685 56.366 54.840 -0.266 0.000 0.757 97 L CB -0.801 41.097 42.059 -0.268 0.000 0.899 97 L HN 0.274 nan 8.230 nan 0.000 0.434 98 N N -0.676 117.885 118.700 -0.232 0.000 2.244 98 N HA -0.157 4.589 4.740 0.011 0.000 0.183 98 N C 1.753 177.181 175.510 -0.136 0.000 1.016 98 N CA 1.558 54.494 53.050 -0.189 0.000 0.866 98 N CB -0.040 38.304 38.487 -0.239 0.000 0.980 98 N HN 0.438 nan 8.380 nan 0.000 0.430 99 M N 0.006 119.528 119.600 -0.129 0.000 2.175 99 M HA -0.157 4.329 4.480 0.011 0.000 0.264 99 M C 2.083 178.394 176.300 0.018 0.000 1.063 99 M CA 0.823 56.098 55.300 -0.041 0.000 1.119 99 M CB -0.466 32.134 32.600 0.001 0.000 1.377 99 M HN 0.112 nan 8.290 nan 0.000 0.415 100 L N 0.984 122.207 121.223 -0.001 0.000 1.989 100 L HA -0.234 4.113 4.340 0.011 0.000 0.211 100 L C 2.474 179.359 176.870 0.024 0.000 1.071 100 L CA 2.115 56.986 54.840 0.051 0.000 0.749 100 L CB -1.083 40.960 42.059 -0.026 0.000 0.890 100 L HN 0.242 nan 8.230 nan 0.000 0.431 101 Q N -0.411 119.368 119.800 -0.034 0.000 2.045 101 Q HA -0.251 4.095 4.340 0.011 0.000 0.206 101 Q C 2.271 178.243 176.000 -0.047 0.000 0.991 101 Q CA 2.238 58.014 55.803 -0.044 0.000 0.851 101 Q CB -0.397 28.302 28.738 -0.066 0.000 0.911 101 Q HN 0.552 nan 8.270 nan 0.000 0.418 102 E N -0.808 119.362 120.200 -0.051 0.000 2.006 102 E HA -0.109 4.247 4.350 0.011 0.000 0.192 102 E C 2.059 178.612 176.600 -0.079 0.000 0.993 102 E CA 1.488 57.855 56.400 -0.055 0.000 0.808 102 E CB -0.461 29.209 29.700 -0.050 0.000 0.764 102 E HN 0.274 nan 8.360 nan 0.000 0.449 103 V N 0.180 120.032 119.914 -0.103 0.000 2.261 103 V HA -0.257 3.869 4.120 0.011 0.000 0.246 103 V C 2.260 178.097 176.094 -0.428 0.000 1.047 103 V CA 2.033 64.178 62.300 -0.258 0.000 1.015 103 V CB -0.665 30.933 31.823 -0.374 0.000 0.642 103 V HN 0.274 nan 8.190 nan 0.000 0.446 104 Y N -1.375 118.706 120.300 -0.365 0.000 2.436 104 Y HA 0.212 4.769 4.550 0.011 0.000 0.288 104 Y C 1.955 177.538 175.900 -0.528 0.000 1.112 104 Y CA 0.546 58.173 58.100 -0.788 0.000 1.220 104 Y CB 0.095 37.851 38.460 -1.173 0.000 1.073 104 Y HN 0.097 nan 8.280 nan 0.000 0.552 105 L N -0.963 120.170 121.223 -0.149 0.000 2.327 105 L HA 0.055 4.402 4.340 0.011 0.000 0.192 105 L C 0.991 177.840 176.870 -0.034 0.000 1.158 105 L CA 0.189 54.984 54.840 -0.074 0.000 0.813 105 L CB -0.740 41.303 42.059 -0.026 0.000 1.021 105 L HN -0.016 nan 8.230 nan 0.000 0.481 106 S N 1.103 116.783 115.700 -0.032 0.000 2.626 106 S HA -0.025 4.452 4.470 0.011 0.000 0.303 106 S C 0.910 175.501 174.600 -0.014 0.000 1.256 106 S CA -0.063 58.124 58.200 -0.021 0.000 1.069 106 S CB 0.403 63.587 63.200 -0.027 0.000 0.807 106 S HN 0.416 nan 8.310 nan 0.000 0.500 107 G N 3.043 111.843 108.800 -0.000 0.000 3.324 107 G HA2 0.407 4.373 3.960 0.011 0.000 0.232 107 G HA3 0.407 4.373 3.960 0.011 0.000 0.232 107 G C 0.615 175.521 174.900 0.010 0.000 1.213 107 G CA -0.276 44.832 45.100 0.014 0.000 1.637 107 G HN 1.050 nan 8.290 nan 0.000 0.572 108 G N 0.433 109.238 108.800 0.009 0.000 2.616 108 G HA2 0.557 4.523 3.960 0.011 0.000 0.268 108 G HA3 0.557 4.523 3.960 0.011 0.000 0.268 108 G C -1.969 172.939 174.900 0.013 0.000 1.213 108 G CA -0.917 44.184 45.100 0.001 0.000 0.926 108 G HN 0.254 nan 8.290 nan 0.000 0.523 109 P HA 0.531 nan 4.420 nan 0.000 0.279 109 P C -1.174 176.100 177.300 -0.044 0.000 1.252 109 P CA -0.318 62.715 63.100 -0.112 0.000 0.811 109 P CB 1.182 32.821 31.700 -0.101 0.000 1.035 110 F N -2.377 117.486 119.950 -0.145 0.000 2.668 110 F HA 0.554 5.087 4.527 0.011 0.000 0.309 110 F C -0.630 175.139 175.800 -0.052 0.000 1.117 110 F CA -1.682 56.201 58.000 -0.196 0.000 0.951 110 F CB 0.942 39.625 39.000 -0.527 0.000 1.323 110 F HN 0.121 nan 8.300 nan 0.000 0.451 111 Q N 1.966 121.896 119.800 0.216 0.000 2.286 111 Q HA 0.204 4.550 4.340 0.011 0.000 0.267 111 Q C 0.442 176.652 176.000 0.351 0.000 1.028 111 Q CA 0.399 56.322 55.803 0.200 0.000 0.901 111 Q CB 1.642 30.516 28.738 0.226 0.000 1.183 111 Q HN 0.838 nan 8.270 nan 0.000 0.392 112 Q N 3.564 123.491 119.800 0.212 0.000 2.398 112 Q HA 0.245 4.591 4.340 0.011 0.000 0.204 112 Q C -0.377 175.766 176.000 0.239 0.000 0.932 112 Q CA 0.327 56.315 55.803 0.307 0.000 0.916 112 Q CB 0.358 29.165 28.738 0.115 0.000 1.024 112 Q HN 0.749 nan 8.270 nan 0.000 0.504 113 L N 1.726 123.044 121.223 0.158 0.000 2.319 113 L HA 0.320 4.666 4.340 0.011 0.000 0.280 113 L C -0.297 176.617 176.870 0.073 0.000 1.099 113 L CA 0.098 54.998 54.840 0.100 0.000 0.828 113 L CB 0.799 42.906 42.059 0.080 0.000 1.150 113 L HN 0.233 nan 8.230 nan 0.000 0.442 114 M N 4.927 124.525 119.600 -0.003 0.000 2.395 114 M HA 0.409 4.895 4.480 0.011 0.000 0.307 114 M C -1.243 174.976 176.300 -0.135 0.000 1.091 114 M CA -0.729 54.485 55.300 -0.143 0.000 0.919 114 M CB 2.797 35.161 32.600 -0.393 0.000 1.662 114 M HN 0.316 nan 8.290 nan 0.000 0.440 115 L N 2.298 123.450 121.223 -0.118 0.000 2.298 115 L HA 0.799 5.145 4.340 0.011 0.000 0.284 115 L C -0.356 176.542 176.870 0.047 0.000 1.013 115 L CA 0.120 54.933 54.840 -0.045 0.000 0.824 115 L CB 1.443 43.489 42.059 -0.022 0.000 1.221 115 L HN 0.740 nan 8.230 nan 0.000 0.418 116 G N 6.192 115.014 108.800 0.036 0.000 2.370 116 G HA2 0.574 4.541 3.960 0.011 0.000 0.317 116 G HA3 0.574 4.541 3.960 0.011 0.000 0.317 116 G C -0.707 173.933 174.900 -0.435 0.000 1.162 116 G CA -0.427 44.556 45.100 -0.195 0.000 0.922 116 G HN 0.610 nan 8.290 nan 0.000 0.454 117 I N 3.413 123.921 120.570 -0.104 0.000 2.388 117 I HA 0.301 4.477 4.170 0.011 0.000 0.281 117 I C -0.697 175.579 176.117 0.265 0.000 1.046 117 I CA -0.488 60.811 61.300 -0.001 0.000 1.187 117 I CB 0.475 38.519 38.000 0.072 0.000 1.351 117 I HN 0.173 nan 8.210 nan 0.000 0.472 118 F N 4.246 124.316 119.950 0.200 0.000 2.457 118 F HA 0.656 5.189 4.527 0.011 0.000 0.330 118 F C 0.468 176.379 175.800 0.184 0.000 1.069 118 F CA -1.594 56.499 58.000 0.155 0.000 1.009 118 F CB 0.949 40.010 39.000 0.103 0.000 1.276 118 F HN 0.286 nan 8.300 nan 0.000 0.492 119 R N 0.346 120.998 120.500 0.252 0.000 2.605 119 R HA 0.311 4.657 4.340 0.011 0.000 0.291 119 R C -1.705 174.507 176.300 -0.145 0.000 1.226 119 R CA -0.284 55.816 56.100 -0.000 0.000 0.981 119 R CB 1.218 31.415 30.300 -0.172 0.000 1.215 119 R HN 0.761 nan 8.270 nan 0.000 0.428 120 T N 3.084 117.513 114.554 -0.208 0.000 2.761 120 T HA 0.185 4.542 4.350 0.011 0.000 0.296 120 T C -0.356 174.126 174.700 -0.363 0.000 0.934 120 T CA -0.389 61.420 62.100 -0.486 0.000 1.091 120 T CB 0.737 69.127 68.868 -0.796 0.000 0.896 120 T HN 0.354 nan 8.240 nan 0.000 0.515 121 D N 2.315 122.482 120.400 -0.389 0.000 2.175 121 D HA 0.380 5.026 4.640 0.011 0.000 0.248 121 D C -0.376 175.754 176.300 -0.285 0.000 1.047 121 D CA -0.176 53.700 54.000 -0.205 0.000 0.883 121 D CB 1.295 42.002 40.800 -0.155 0.000 1.180 121 D HN 0.497 nan 8.370 nan 0.000 0.438 122 Y N -0.120 120.193 120.300 0.021 0.000 2.630 122 Y HA 0.563 5.119 4.550 0.010 0.000 0.337 122 Y C 0.338 176.392 175.900 0.256 0.000 1.051 122 Y CA -1.062 57.149 58.100 0.184 0.000 1.121 122 Y CB 2.240 40.908 38.460 0.346 0.000 1.299 122 Y HN -0.007 nan 8.280 nan 0.000 0.498 123 M N 1.514 121.356 119.600 0.403 0.000 2.324 123 M HA 0.345 4.832 4.480 0.011 0.000 0.288 123 M C -1.055 175.296 176.300 0.084 0.000 1.097 123 M CA -0.603 54.752 55.300 0.092 0.000 0.928 123 M CB 2.750 35.014 32.600 -0.560 0.000 1.648 123 M HN 0.633 nan 8.290 nan 0.000 0.460 124 R N 2.700 122.924 120.500 -0.459 0.000 2.389 124 R HA 0.163 4.509 4.340 0.011 0.000 0.295 124 R C -0.153 176.119 176.300 -0.047 0.000 1.075 124 R CA -0.131 55.528 56.100 -0.735 0.000 1.005 124 R CB 0.821 30.212 30.300 -1.516 0.000 0.987 124 R HN 0.713 nan 8.270 nan 0.000 0.452 125 E N 2.494 122.677 120.200 -0.028 0.000 2.373 125 E HA 0.140 4.496 4.350 0.011 0.000 0.263 125 E C 0.215 176.758 176.600 -0.096 0.000 1.073 125 E CA -0.403 55.953 56.400 -0.073 0.000 0.894 125 E CB 1.128 30.709 29.700 -0.198 0.000 1.008 125 E HN 0.747 nan 8.360 nan 0.000 0.420 126 G N 2.228 111.000 108.800 -0.047 0.000 3.126 126 G HA2 0.112 4.078 3.960 0.011 0.000 0.224 126 G HA3 0.112 4.078 3.960 0.011 0.000 0.224 126 G C 0.538 175.412 174.900 -0.044 0.000 1.142 126 G CA -0.176 44.917 45.100 -0.012 0.000 0.759 126 G HN 0.377 nan 8.290 nan 0.000 0.550 134 T N 0.757 115.305 114.554 -0.010 0.000 3.139 134 T HA -0.032 4.325 4.350 0.011 0.000 0.267 134 T C 1.531 176.217 174.700 -0.023 0.000 1.164 134 T CA 1.671 63.763 62.100 -0.013 0.000 1.075 134 T CB -0.799 68.065 68.868 -0.007 0.000 0.904 134 T HN 0.601 nan 8.240 nan 0.000 0.540 135 T N 1.032 115.574 114.554 -0.021 0.000 2.795 135 T HA -0.060 4.296 4.350 0.011 0.000 0.266 135 T C 0.672 175.350 174.700 -0.037 0.000 1.056 135 T CA 1.343 63.428 62.100 -0.025 0.000 1.141 135 T CB -0.546 68.313 68.868 -0.015 0.000 0.840 135 T HN 0.766 nan 8.240 nan 0.000 0.493 136 A N -0.279 122.518 122.820 -0.037 0.000 2.469 136 A HA 0.698 5.024 4.320 0.011 0.000 0.299 136 A C -0.027 177.517 177.584 -0.066 0.000 1.098 136 A CA -0.454 51.547 52.037 -0.060 0.000 0.737 136 A CB 1.691 20.677 19.000 -0.023 0.000 1.312 136 A HN 0.257 nan 8.150 nan 0.000 0.414 137 S N -0.850 114.766 115.700 -0.140 0.000 2.603 137 S HA 0.306 4.782 4.470 0.011 0.000 0.268 137 S C 1.025 175.659 174.600 0.057 0.000 1.317 137 S CA -0.235 57.932 58.200 -0.054 0.000 1.012 137 S CB 0.725 63.818 63.200 -0.178 0.000 0.926 137 S HN 0.656 nan 8.310 nan 0.000 0.539 138 R N 1.443 122.017 120.500 0.123 0.000 2.246 138 R HA 0.261 4.607 4.340 0.011 0.000 0.199 138 R C -0.751 175.576 176.300 0.045 0.000 0.984 138 R CA 0.213 56.338 56.100 0.041 0.000 1.015 138 R CB -0.132 30.153 30.300 -0.025 0.000 0.930 138 R HN 0.662 nan 8.270 nan 0.000 0.475 139 W N 1.678 123.102 121.300 0.206 0.000 2.331 139 W HA 0.356 5.023 4.660 0.010 0.000 0.306 139 W C -0.076 176.750 176.519 0.512 0.000 1.162 139 W CA -0.552 56.990 57.345 0.328 0.000 1.232 139 W CB 0.945 30.550 29.460 0.242 0.000 1.235 139 W HN -0.395 nan 8.180 nan 0.000 0.479 140 K N 3.143 123.956 120.400 0.689 0.000 2.164 140 K HA 0.195 4.522 4.320 0.011 0.000 0.258 140 K C -0.209 176.717 176.600 0.543 0.000 0.951 140 K CA -0.999 55.669 56.287 0.634 0.000 0.844 140 K CB 1.515 34.356 32.500 0.569 0.000 1.099 140 K HN 0.551 nan 8.250 nan 0.000 0.435 141 N N 1.906 120.835 118.700 0.382 0.000 2.470 141 N HA 0.038 4.785 4.740 0.011 0.000 0.268 141 N C 0.533 175.996 175.510 -0.078 0.000 1.136 141 N CA -0.159 52.842 53.050 -0.083 0.000 0.961 141 N CB 0.894 39.315 38.487 -0.110 0.000 1.067 141 N HN 0.296 nan 8.380 nan 0.000 0.468 142 V N 0.532 120.331 119.914 -0.192 0.000 3.013 142 V HA 0.351 4.477 4.120 0.011 0.000 0.238 142 V C 0.431 176.413 176.094 -0.186 0.000 1.161 142 V CA 0.401 62.606 62.300 -0.158 0.000 1.170 142 V CB -0.235 31.463 31.823 -0.208 0.000 0.917 142 V HN 0.678 nan 8.190 nan 0.000 0.478 143 E N -0.071 119.982 120.200 -0.246 0.000 2.314 143 E HA 0.638 4.995 4.350 0.011 0.000 0.272 143 E C -1.222 175.178 176.600 -0.334 0.000 0.884 143 E CA -0.688 55.570 56.400 -0.237 0.000 0.753 143 E CB 1.912 31.505 29.700 -0.178 0.000 1.213 143 E HN 0.440 nan 8.360 nan 0.000 0.432 144 I N 3.416 123.799 120.570 -0.312 0.000 2.359 144 I HA 0.447 4.623 4.170 0.011 0.000 0.294 144 I C -0.391 175.576 176.117 -0.250 0.000 0.987 144 I CA -0.972 60.112 61.300 -0.359 0.000 1.225 144 I CB 1.297 39.090 38.000 -0.345 0.000 1.366 144 I HN 0.327 nan 8.210 nan 0.000 0.466 145 N N 4.120 122.684 118.700 -0.227 0.000 2.448 145 N HA 0.260 5.007 4.740 0.011 0.000 0.279 145 N C 0.324 175.781 175.510 -0.088 0.000 1.025 145 N CA -0.237 52.729 53.050 -0.139 0.000 0.898 145 N CB 2.292 40.719 38.487 -0.100 0.000 1.303 145 N HN 0.737 nan 8.380 nan 0.000 0.495 146 T N -1.353 113.148 114.554 -0.089 0.000 3.043 146 T HA 0.315 4.672 4.350 0.011 0.000 0.272 146 T C 0.546 175.363 174.700 0.195 0.000 0.990 146 T CA -0.066 62.056 62.100 0.036 0.000 0.897 146 T CB 0.266 68.960 68.868 -0.290 0.000 1.111 146 T HN 0.430 nan 8.240 nan 0.000 0.529 147 I N 1.291 121.887 120.570 0.043 0.000 2.439 147 I HA 0.529 4.705 4.170 0.011 0.000 0.285 147 I C 0.092 176.194 176.117 -0.026 0.000 1.021 147 I CA -0.366 60.929 61.300 -0.010 0.000 1.091 147 I CB 1.538 39.358 38.000 -0.299 0.000 1.242 147 I HN 0.229 nan 8.210 nan 0.000 0.439 148 S N 4.511 120.231 115.700 0.033 0.000 3.682 148 S HA -0.180 4.297 4.470 0.011 0.000 0.354 148 S C 0.278 174.795 174.600 -0.139 0.000 1.034 148 S CA 0.313 58.465 58.200 -0.079 0.000 1.084 148 S CB -1.738 61.410 63.200 -0.086 0.000 0.903 148 S HN 0.805 nan 8.310 nan 0.000 0.470 149 C N 2.734 122.039 119.300 0.008 0.000 2.465 149 C HA 0.323 4.790 4.460 0.011 0.000 0.402 149 C C 1.368 176.360 174.990 0.003 0.000 1.448 149 C CA -0.085 58.966 59.018 0.056 0.000 1.589 149 C CB -0.543 27.358 27.740 0.268 0.000 2.535 149 C HN 0.722 nan 8.230 nan 0.000 0.600 150 S N 1.710 117.340 115.700 -0.117 0.000 2.687 150 S HA 0.699 5.175 4.470 0.011 0.000 0.283 150 S C 0.136 174.636 174.600 -0.167 0.000 1.170 150 S CA -0.420 57.501 58.200 -0.464 0.000 1.008 150 S CB 0.505 63.010 63.200 -1.160 0.000 1.026 150 S HN 0.753 nan 8.310 nan 0.000 0.541 151 F N -1.808 118.202 119.950 0.101 0.000 2.699 151 F HA -0.265 4.269 4.527 0.011 0.000 0.343 151 F C 1.631 177.496 175.800 0.108 0.000 0.633 151 F CA 0.231 58.295 58.000 0.108 0.000 1.365 151 F CB -2.242 36.819 39.000 0.100 0.000 1.795 151 F HN 0.588 nan 8.300 nan 0.000 0.304 152 A N 0.322 123.121 122.820 -0.035 0.000 2.015 152 A HA 0.241 4.567 4.320 0.011 0.000 0.219 152 A C 2.421 179.832 177.584 -0.288 0.000 1.163 152 A CA 1.940 53.591 52.037 -0.643 0.000 0.646 152 A CB -1.001 17.352 19.000 -1.077 0.000 0.806 152 A HN 0.629 nan 8.150 nan 0.000 0.448 153 G N -0.611 108.103 108.800 -0.145 0.000 2.411 153 G HA2 0.019 3.986 3.960 0.011 0.000 0.213 153 G HA3 0.019 3.986 3.960 0.011 0.000 0.213 153 G C 1.466 176.346 174.900 -0.033 0.000 1.166 153 G CA 0.725 45.773 45.100 -0.087 0.000 0.802 153 G HN 0.392 nan 8.290 nan 0.000 0.533 154 L N 0.673 121.913 121.223 0.028 0.000 2.270 154 L HA 0.066 4.412 4.340 0.011 0.000 0.210 154 L C 2.987 179.855 176.870 -0.003 0.000 1.104 154 L CA 0.665 55.527 54.840 0.037 0.000 0.804 154 L CB -0.163 41.968 42.059 0.120 0.000 0.937 154 L HN 0.325 nan 8.230 nan 0.000 0.450 155 S N 0.873 116.579 115.700 0.010 0.000 2.380 155 S HA -0.116 4.360 4.470 0.011 0.000 0.229 155 S C -0.508 174.014 174.600 -0.129 0.000 1.043 155 S CA 1.685 59.837 58.200 -0.081 0.000 1.038 155 S CB -0.692 62.448 63.200 -0.099 0.000 0.872 155 S HN 0.213 nan 8.310 nan 0.000 0.456 156 P HA 0.097 nan 4.420 nan 0.000 0.229 156 P C 1.168 178.449 177.300 -0.032 0.000 1.160 156 P CA 0.606 63.669 63.100 -0.062 0.000 0.777 156 P CB -0.122 31.554 31.700 -0.040 0.000 0.814 157 L N -1.281 119.918 121.223 -0.040 0.000 2.201 157 L HA -0.104 4.242 4.340 0.011 0.000 0.212 157 L C 2.003 178.850 176.870 -0.039 0.000 1.105 157 L CA 0.923 55.748 54.840 -0.025 0.000 0.775 157 L CB -0.872 41.167 42.059 -0.034 0.000 0.913 157 L HN -0.041 nan 8.230 nan 0.000 0.440 158 I N -0.009 120.498 120.570 -0.105 0.000 2.286 158 I HA -0.206 3.971 4.170 0.011 0.000 0.248 158 I C 2.508 178.513 176.117 -0.187 0.000 1.115 158 I CA 1.505 62.684 61.300 -0.202 0.000 1.392 158 I CB -1.521 36.317 38.000 -0.270 0.000 1.065 158 I HN 0.222 nan 8.210 nan 0.000 0.418 159 T N 0.617 115.136 114.554 -0.058 0.000 2.867 159 T HA -0.142 4.215 4.350 0.011 0.000 0.268 159 T C 1.765 176.516 174.700 0.086 0.000 1.057 159 T CA 1.172 63.298 62.100 0.044 0.000 1.136 159 T CB -0.100 68.823 68.868 0.092 0.000 0.874 159 T HN 0.442 nan 8.240 nan 0.000 0.466 160 E N 0.108 120.353 120.200 0.075 0.000 2.107 160 E HA -0.029 4.327 4.350 0.011 0.000 0.191 160 E C 1.810 178.493 176.600 0.139 0.000 0.982 160 E CA 0.590 57.050 56.400 0.099 0.000 0.809 160 E CB -0.207 29.539 29.700 0.078 0.000 0.756 160 E HN 0.460 nan 8.360 nan 0.000 0.459 161 F N 1.668 121.602 119.950 -0.028 0.000 2.069 161 F HA -0.230 4.302 4.527 0.009 0.000 0.298 161 F C 2.068 177.929 175.800 0.102 0.000 1.113 161 F CA 1.991 59.980 58.000 -0.018 0.000 1.214 161 F CB -0.413 38.504 39.000 -0.138 0.000 0.978 161 F HN 0.051 nan 8.300 nan 0.000 0.474 162 H N -0.967 118.119 119.070 0.027 0.000 2.387 162 H HA -0.194 4.368 4.556 0.010 0.000 0.299 162 H C 2.260 177.607 175.328 0.033 0.000 1.099 162 H CA 1.185 57.200 56.048 -0.055 0.000 1.315 162 H CB -0.170 29.575 29.762 -0.029 0.000 1.380 162 H HN 0.423 nan 8.280 nan 0.000 0.513 163 Q N -0.409 119.505 119.800 0.190 0.000 2.181 163 Q HA -0.218 4.129 4.340 0.011 0.000 0.205 163 Q C 2.092 178.129 176.000 0.061 0.000 0.980 163 Q CA 1.656 57.541 55.803 0.136 0.000 0.862 163 Q CB 0.025 28.833 28.738 0.117 0.000 0.905 163 Q HN 0.584 nan 8.270 nan 0.000 0.429 164 H N 0.076 119.111 119.070 -0.058 0.000 2.293 164 H HA -0.102 4.460 4.556 0.010 0.000 0.300 164 H C 1.728 177.003 175.328 -0.088 0.000 1.082 164 H CA 1.970 57.963 56.048 -0.091 0.000 1.308 164 H CB -0.187 29.487 29.762 -0.147 0.000 1.375 164 H HN 0.200 nan 8.280 nan 0.000 0.495 165 I N 0.469 120.854 120.570 -0.309 0.000 2.248 165 I HA -0.309 3.868 4.170 0.011 0.000 0.248 165 I C 2.664 178.668 176.117 -0.189 0.000 1.107 165 I CA 1.185 62.326 61.300 -0.264 0.000 1.373 165 I CB -0.491 37.357 38.000 -0.255 0.000 1.055 165 I HN 0.522 nan 8.210 nan 0.000 0.418 166 A N 0.421 123.148 122.820 -0.154 0.000 1.929 166 A HA -0.055 4.271 4.320 0.011 0.000 0.216 166 A C 2.525 179.872 177.584 -0.394 0.000 1.176 166 A CA 1.515 53.335 52.037 -0.361 0.000 0.628 166 A CB -0.641 18.218 19.000 -0.236 0.000 0.816 166 A HN 0.423 nan 8.150 nan 0.000 0.444 167 A N -1.337 121.330 122.820 -0.254 0.000 1.898 167 A HA -0.101 4.225 4.320 0.011 0.000 0.216 167 A C 2.144 179.621 177.584 -0.180 0.000 1.181 167 A CA 1.645 53.554 52.037 -0.213 0.000 0.620 167 A CB -0.806 18.122 19.000 -0.120 0.000 0.819 167 A HN 0.654 nan 8.150 nan 0.000 0.442 168 Y N 0.363 120.445 120.300 -0.362 0.000 2.224 168 Y HA -0.070 4.485 4.550 0.009 0.000 0.289 168 Y C 1.845 177.604 175.900 -0.236 0.000 1.146 168 Y CA 1.309 59.237 58.100 -0.287 0.000 1.182 168 Y CB -0.312 37.950 38.460 -0.330 0.000 0.983 168 Y HN 0.216 nan 8.280 nan 0.000 0.524 169 L N -0.659 120.354 121.223 -0.350 0.000 2.209 169 L HA -0.158 4.189 4.340 0.011 0.000 0.207 169 L C 2.371 178.983 176.870 -0.429 0.000 1.094 169 L CA 0.863 55.434 54.840 -0.448 0.000 0.790 169 L CB -0.393 41.399 42.059 -0.445 0.000 0.932 169 L HN 0.195 nan 8.230 nan 0.000 0.447 170 Q N -0.537 118.936 119.800 -0.544 0.000 2.050 170 Q HA -0.186 4.160 4.340 0.011 0.000 0.202 170 Q C 2.307 178.191 176.000 -0.194 0.000 0.980 170 Q CA 1.522 56.977 55.803 -0.581 0.000 0.840 170 Q CB -0.175 28.054 28.738 -0.849 0.000 0.898 170 Q HN 0.326 nan 8.270 nan 0.000 0.424 171 V N 1.040 120.855 119.914 -0.165 0.000 2.358 171 V HA -0.243 3.884 4.120 0.011 0.000 0.246 171 V C 2.178 178.230 176.094 -0.070 0.000 1.047 171 V CA 1.435 63.698 62.300 -0.062 0.000 1.035 171 V CB -0.456 31.360 31.823 -0.012 0.000 0.658 171 V HN 0.332 nan 8.190 nan 0.000 0.452 172 L N -0.722 120.403 121.223 -0.163 0.000 2.046 172 L HA -0.226 4.121 4.340 0.011 0.000 0.208 172 L C 2.701 179.504 176.870 -0.112 0.000 1.077 172 L CA 1.639 56.368 54.840 -0.183 0.000 0.747 172 L CB -0.444 41.395 42.059 -0.366 0.000 0.896 172 L HN 0.369 nan 8.230 nan 0.000 0.432 173 Q N -0.423 119.323 119.800 -0.090 0.000 2.046 173 Q HA -0.209 4.137 4.340 0.011 0.000 0.200 173 Q C 2.277 178.295 176.000 0.030 0.000 0.975 173 Q CA 1.278 57.075 55.803 -0.009 0.000 0.836 173 Q CB 0.043 28.828 28.738 0.079 0.000 0.896 173 Q HN 0.356 nan 8.270 nan 0.000 0.428 174 K N 0.181 120.617 120.400 0.059 0.000 2.063 174 K HA -0.132 4.194 4.320 0.011 0.000 0.208 174 K C 1.931 178.546 176.600 0.024 0.000 1.048 174 K CA 1.155 57.480 56.287 0.063 0.000 0.928 174 K CB -0.150 32.400 32.500 0.083 0.000 0.713 174 K HN 0.132 nan 8.250 nan 0.000 0.442 175 A N 2.002 124.827 122.820 0.007 0.000 2.178 175 A HA -0.143 4.183 4.320 0.011 0.000 0.218 175 A C 0.594 178.177 177.584 -0.003 0.000 1.157 175 A CA 0.689 52.727 52.037 0.002 0.000 0.689 175 A CB -0.287 18.710 19.000 -0.004 0.000 0.787 175 A HN 0.380 nan 8.150 nan 0.000 0.465 176 R N -2.214 118.282 120.500 -0.006 0.000 2.575 176 R HA 0.511 4.857 4.340 0.011 0.000 0.292 176 R C 0.483 176.779 176.300 -0.007 0.000 1.246 176 R CA -0.249 55.846 56.100 -0.008 0.000 0.973 176 R CB -0.069 30.222 30.300 -0.015 0.000 1.187 176 R HN 0.790 nan 8.270 nan 0.000 0.478 177 G N 2.473 111.269 108.800 -0.006 0.000 2.566 177 G HA2 -0.349 3.618 3.960 0.011 0.000 0.280 177 G HA3 -0.349 3.618 3.960 0.011 0.000 0.280 177 G C -0.776 174.119 174.900 -0.007 0.000 1.225 177 G CA 0.212 45.306 45.100 -0.010 0.000 0.966 177 G HN 0.823 nan 8.290 nan 0.000 0.560 189 W N 5.006 126.339 121.300 0.056 0.000 2.468 189 W HA -0.006 4.659 4.660 0.009 0.000 0.262 189 W C 0.773 177.277 176.519 -0.025 0.000 1.241 189 W CA 0.538 57.897 57.345 0.022 0.000 1.232 189 W CB -1.055 28.394 29.460 -0.018 0.000 1.124 189 W HN 0.625 nan 8.180 nan 0.000 0.597 190 I N 0.212 120.208 120.570 -0.956 0.000 2.194 190 I HA -0.193 3.983 4.170 0.011 0.000 0.246 190 I C 0.772 176.452 176.117 -0.728 0.000 1.093 190 I CA 1.572 62.201 61.300 -1.117 0.000 1.355 190 I CB -0.734 36.541 38.000 -1.209 0.000 1.046 190 I HN -0.180 nan 8.210 nan 0.000 0.413 191 W N 0.305 121.475 121.300 -0.216 0.000 2.338 191 W HA 0.449 5.115 4.660 0.011 0.000 0.307 191 W C 1.441 177.944 176.519 -0.025 0.000 1.167 191 W CA -0.767 56.518 57.345 -0.100 0.000 1.208 191 W CB 0.424 29.828 29.460 -0.094 0.000 1.228 191 W HN -0.072 nan 8.180 nan 0.000 0.499 192 G N 2.694 111.605 108.800 0.185 0.000 2.740 192 G HA2 -0.235 3.732 3.960 0.011 0.000 0.208 192 G HA3 -0.235 3.732 3.960 0.011 0.000 0.208 192 G C 1.390 176.375 174.900 0.142 0.000 1.148 192 G CA 0.111 45.298 45.100 0.146 0.000 0.795 192 G HN 0.628 nan 8.290 nan 0.000 0.526 193 K N -0.457 120.041 120.400 0.163 0.000 2.378 193 K HA -0.340 3.987 4.320 0.011 0.000 0.206 193 K C 2.120 178.768 176.600 0.080 0.000 1.020 193 K CA 1.429 57.781 56.287 0.108 0.000 0.924 193 K CB -0.283 32.275 32.500 0.097 0.000 0.847 193 K HN 0.655 nan 8.250 nan 0.000 0.499 194 G N -0.188 108.665 108.800 0.089 0.000 2.308 194 G HA2 -0.242 3.725 3.960 0.011 0.000 0.221 194 G HA3 -0.242 3.725 3.960 0.011 0.000 0.221 194 G C 0.630 175.570 174.900 0.067 0.000 1.032 194 G CA 0.195 45.339 45.100 0.073 0.000 0.623 194 G HN 0.234 nan 8.290 nan 0.000 0.506 195 N N 0.204 118.943 118.700 0.065 0.000 2.449 195 N HA 0.237 4.983 4.740 0.011 0.000 0.191 195 N C -0.239 175.318 175.510 0.077 0.000 1.161 195 N CA 1.165 54.252 53.050 0.061 0.000 0.863 195 N CB 0.151 38.667 38.487 0.048 0.000 0.980 195 N HN 0.716 nan 8.380 nan 0.000 0.458 196 C N 0.806 120.165 119.300 0.098 0.000 3.008 196 C HA 0.399 4.866 4.460 0.011 0.000 0.405 196 C C -1.552 173.523 174.990 0.141 0.000 1.046 196 C CA -0.835 58.254 59.018 0.118 0.000 1.249 196 C CB -0.388 27.444 27.740 0.152 0.000 1.656 196 C HN 0.345 nan 8.230 nan 0.000 0.517 197 R N 5.440 126.008 120.500 0.113 0.000 2.538 197 R HA 0.626 4.973 4.340 0.011 0.000 0.292 197 R C -1.319 175.039 176.300 0.096 0.000 1.008 197 R CA -0.871 55.298 56.100 0.115 0.000 0.896 197 R CB 1.398 31.756 30.300 0.097 0.000 1.187 197 R HN 0.597 nan 8.270 nan 0.000 0.440 198 L N 3.254 124.550 121.223 0.122 0.000 2.369 198 L HA 0.139 4.485 4.340 0.011 0.000 0.279 198 L C 0.097 177.033 176.870 0.109 0.000 1.108 198 L CA 0.049 54.950 54.840 0.101 0.000 0.852 198 L CB 0.491 42.636 42.059 0.143 0.000 1.169 198 L HN 0.452 nan 8.230 nan 0.000 0.452 199 E N 4.860 125.119 120.200 0.098 0.000 2.109 199 E HA 0.217 4.574 4.350 0.011 0.000 0.278 199 E C -0.366 176.387 176.600 0.256 0.000 0.954 199 E CA -0.512 55.985 56.400 0.161 0.000 0.779 199 E CB 1.598 31.398 29.700 0.167 0.000 1.093 199 E HN 0.373 nan 8.360 nan 0.000 0.401 200 R N 2.037 122.671 120.500 0.224 0.000 2.347 200 R HA 0.089 4.436 4.340 0.011 0.000 0.304 200 R C 0.410 176.867 176.300 0.262 0.000 1.072 200 R CA -0.024 56.199 56.100 0.205 0.000 0.980 200 R CB 0.704 31.080 30.300 0.127 0.000 0.986 200 R HN 0.444 nan 8.270 nan 0.000 0.448 201 S N 2.200 118.010 115.700 0.184 0.000 2.559 201 S HA -0.055 4.421 4.470 0.011 0.000 0.282 201 S C 1.135 175.791 174.600 0.094 0.000 1.336 201 S CA -0.041 58.224 58.200 0.108 0.000 1.037 201 S CB 0.713 63.734 63.200 -0.298 0.000 0.853 201 S HN 0.547 nan 8.310 nan 0.000 0.523 202 V N 2.097 122.075 119.914 0.107 0.000 3.483 202 V HA 0.198 4.324 4.120 0.011 0.000 0.301 202 V C 1.775 177.818 176.094 -0.086 0.000 1.389 202 V CA 0.704 63.017 62.300 0.021 0.000 1.101 202 V CB -0.606 31.247 31.823 0.050 0.000 0.971 202 V HN 0.919 nan 8.190 nan 0.000 0.434 203 S N 1.702 117.329 115.700 -0.122 0.000 2.383 203 S HA -0.075 4.402 4.470 0.011 0.000 0.229 203 S C 2.002 176.452 174.600 -0.250 0.000 1.030 203 S CA 1.674 59.722 58.200 -0.254 0.000 1.002 203 S CB -1.150 61.840 63.200 -0.350 0.000 0.829 203 S HN 0.840 nan 8.310 nan 0.000 0.467 204 G N 0.671 109.371 108.800 -0.167 0.000 2.498 204 G HA2 -0.101 3.865 3.960 0.011 0.000 0.219 204 G HA3 -0.101 3.865 3.960 0.011 0.000 0.219 204 G C 1.183 176.020 174.900 -0.106 0.000 1.119 204 G CA 0.939 45.959 45.100 -0.133 0.000 0.766 204 G HN 0.551 nan 8.290 nan 0.000 0.552 205 D N -0.655 119.687 120.400 -0.097 0.000 2.615 205 D HA 0.040 4.687 4.640 0.011 0.000 0.259 205 D C 2.619 178.867 176.300 -0.085 0.000 0.999 205 D CA 0.157 54.119 54.000 -0.064 0.000 0.938 205 D CB 0.408 41.184 40.800 -0.040 0.000 1.121 205 D HN 0.119 nan 8.370 nan 0.000 0.487 206 V N 1.273 121.105 119.914 -0.136 0.000 2.667 206 V HA -0.123 4.004 4.120 0.011 0.000 0.252 206 V C 2.444 178.406 176.094 -0.220 0.000 1.065 206 V CA 0.809 63.002 62.300 -0.178 0.000 1.083 206 V CB 0.126 31.829 31.823 -0.201 0.000 0.692 206 V HN 0.010 nan 8.190 nan 0.000 0.468 207 V N 0.129 119.906 119.914 -0.228 0.000 2.256 207 V HA -0.063 4.063 4.120 0.011 0.000 0.240 207 V C 0.117 176.074 176.094 -0.229 0.000 1.036 207 V CA 1.959 64.108 62.300 -0.251 0.000 1.008 207 V CB -1.715 29.922 31.823 -0.309 0.000 0.648 207 V HN 0.475 nan 8.190 nan 0.000 0.453 208 P HA -0.254 nan 4.420 nan 0.000 0.217 208 P C 1.685 178.881 177.300 -0.172 0.000 1.158 208 P CA 1.747 64.780 63.100 -0.110 0.000 0.887 208 P CB -0.110 31.600 31.700 0.017 0.000 0.792 209 K N -0.553 119.739 120.400 -0.180 0.000 2.152 209 K HA -0.173 4.154 4.320 0.011 0.000 0.206 209 K C 1.929 178.282 176.600 -0.411 0.000 1.048 209 K CA 1.580 57.613 56.287 -0.424 0.000 0.933 209 K CB -0.548 31.799 32.500 -0.255 0.000 0.721 209 K HN 0.017 nan 8.250 nan 0.000 0.447 210 A N 1.156 123.773 122.820 -0.339 0.000 1.898 210 A HA -0.116 4.211 4.320 0.011 0.000 0.216 210 A C 2.043 179.560 177.584 -0.111 0.000 1.181 210 A CA 1.250 53.126 52.037 -0.268 0.000 0.620 210 A CB -0.394 18.499 19.000 -0.179 0.000 0.819 210 A HN 0.297 nan 8.150 nan 0.000 0.442 211 I N -0.307 120.144 120.570 -0.199 0.000 2.286 211 I HA -0.216 3.961 4.170 0.011 0.000 0.245 211 I C 2.970 178.991 176.117 -0.161 0.000 1.104 211 I CA 0.860 62.042 61.300 -0.196 0.000 1.397 211 I CB -0.399 37.430 38.000 -0.285 0.000 1.072 211 I HN 0.335 nan 8.210 nan 0.000 0.417 212 A N 0.864 123.545 122.820 -0.233 0.000 1.892 212 A HA -0.284 4.042 4.320 0.011 0.000 0.218 212 A C 1.951 179.446 177.584 -0.148 0.000 1.188 212 A CA 2.437 54.326 52.037 -0.248 0.000 0.631 212 A CB -0.684 17.952 19.000 -0.608 0.000 0.822 212 A HN 0.360 nan 8.150 nan 0.000 0.447 213 D N -0.370 119.956 120.400 -0.124 0.000 2.149 213 D HA 0.056 4.702 4.640 0.011 0.000 0.201 213 D C 2.248 178.608 176.300 0.101 0.000 0.972 213 D CA 1.304 55.311 54.000 0.013 0.000 0.835 213 D CB -0.460 40.384 40.800 0.072 0.000 0.966 213 D HN 0.426 nan 8.370 nan 0.000 0.476 214 A N 0.693 123.574 122.820 0.103 0.000 1.883 214 A HA -0.170 4.157 4.320 0.011 0.000 0.217 214 A C 2.520 180.143 177.584 0.065 0.000 1.186 214 A CA 1.453 53.536 52.037 0.076 0.000 0.624 214 A CB -0.887 18.132 19.000 0.031 0.000 0.822 214 A HN 0.136 nan 8.150 nan 0.000 0.444 215 V N 0.022 119.939 119.914 0.005 0.000 2.255 215 V HA -0.309 3.818 4.120 0.011 0.000 0.247 215 V C 2.651 178.800 176.094 0.091 0.000 1.051 215 V CA 2.437 64.738 62.300 0.002 0.000 1.018 215 V CB -0.841 30.937 31.823 -0.075 0.000 0.641 215 V HN 0.653 nan 8.190 nan 0.000 0.445 216 R N -0.101 120.431 120.500 0.053 0.000 2.103 216 R HA -0.233 4.113 4.340 0.011 0.000 0.242 216 R C 2.257 178.614 176.300 0.095 0.000 1.142 216 R CA 1.865 58.004 56.100 0.065 0.000 0.960 216 R CB -0.431 29.890 30.300 0.035 0.000 0.858 216 R HN 0.537 nan 8.270 nan 0.000 0.439 217 A N -0.364 122.520 122.820 0.106 0.000 1.898 217 A HA -0.192 4.134 4.320 0.011 0.000 0.216 217 A C 1.873 179.524 177.584 0.112 0.000 1.181 217 A CA 1.139 53.231 52.037 0.092 0.000 0.620 217 A CB -0.936 18.111 19.000 0.078 0.000 0.819 217 A HN 0.702 nan 8.150 nan 0.000 0.442 218 W N 0.251 121.539 121.300 -0.020 0.000 2.354 218 W HA -0.176 4.491 4.660 0.011 0.000 0.315 218 W C 2.042 178.551 176.519 -0.015 0.000 1.206 218 W CA 2.130 59.463 57.345 -0.020 0.000 1.290 218 W CB -0.367 29.067 29.460 -0.044 0.000 1.152 218 W HN 0.098 nan 8.180 nan 0.000 0.489 219 V N 0.849 120.985 119.914 0.370 0.000 2.453 219 V HA -0.333 3.793 4.120 0.011 0.000 0.252 219 V C 2.297 178.403 176.094 0.021 0.000 1.068 219 V CA 2.477 64.893 62.300 0.193 0.000 1.070 219 V CB -0.609 31.308 31.823 0.155 0.000 0.664 219 V HN 0.296 nan 8.190 nan 0.000 0.461 220 E N -0.844 119.360 120.200 0.007 0.000 2.051 220 E HA -0.233 4.123 4.350 0.011 0.000 0.189 220 E C 2.262 178.811 176.600 -0.084 0.000 0.979 220 E CA 1.139 57.529 56.400 -0.018 0.000 0.803 220 E CB -0.048 29.656 29.700 0.006 0.000 0.761 220 E HN 0.723 nan 8.360 nan 0.000 0.451 221 Q N 0.271 119.991 119.800 -0.134 0.000 2.112 221 Q HA -0.233 4.113 4.340 0.011 0.000 0.206 221 Q C 1.957 177.814 176.000 -0.239 0.000 0.987 221 Q CA 1.601 57.300 55.803 -0.174 0.000 0.858 221 Q CB 0.100 28.723 28.738 -0.192 0.000 0.905 221 Q HN 0.174 nan 8.270 nan 0.000 0.420 222 Q N 0.397 119.954 119.800 -0.406 0.000 2.378 222 Q HA -0.001 4.346 4.340 0.011 0.000 0.205 222 Q C -0.208 175.683 176.000 -0.182 0.000 0.954 222 Q CA 0.634 56.201 55.803 -0.393 0.000 0.901 222 Q CB 0.262 28.545 28.738 -0.758 0.000 0.981 222 Q HN 0.385 nan 8.270 nan 0.000 0.483 223 K N -0.065 120.268 120.400 -0.112 0.000 3.939 223 K HA -0.218 4.109 4.320 0.011 0.000 0.281 223 K C 0.284 176.897 176.600 0.023 0.000 0.981 223 K CA 0.127 56.398 56.287 -0.027 0.000 0.833 223 K CB -1.881 30.594 32.500 -0.041 0.000 1.501 223 K HN 0.135 nan 8.250 nan 0.000 0.445 224 F N 1.117 121.021 119.950 -0.077 0.000 2.060 224 F HA -0.236 4.298 4.527 0.011 0.000 0.295 224 F C 2.526 178.331 175.800 0.009 0.000 1.120 224 F CA 1.951 59.934 58.000 -0.028 0.000 1.205 224 F CB -0.122 38.916 39.000 0.063 0.000 0.986 224 F HN 0.506 nan 8.300 nan 0.000 0.470 225 A N -0.632 122.249 122.820 0.102 0.000 1.903 225 A HA -0.298 4.029 4.320 0.011 0.000 0.219 225 A C 2.315 179.861 177.584 -0.064 0.000 1.191 225 A CA 2.322 54.362 52.037 0.005 0.000 0.638 225 A CB -1.508 17.526 19.000 0.057 0.000 0.823 225 A HN 0.457 nan 8.150 nan 0.000 0.451 226 S N -1.043 114.632 115.700 -0.042 0.000 2.374 226 S HA -0.170 4.307 4.470 0.011 0.000 0.227 226 S C 1.868 176.423 174.600 -0.076 0.000 1.037 226 S CA 1.626 59.799 58.200 -0.046 0.000 1.024 226 S CB -0.402 62.779 63.200 -0.032 0.000 0.861 226 S HN 0.544 nan 8.310 nan 0.000 0.456 227 L N 1.718 122.852 121.223 -0.149 0.000 2.044 227 L HA 0.130 4.477 4.340 0.011 0.000 0.205 227 L C 2.197 178.944 176.870 -0.204 0.000 1.075 227 L CA 1.748 56.483 54.840 -0.175 0.000 0.747 227 L CB -0.932 40.976 42.059 -0.251 0.000 0.903 227 L HN 0.145 nan 8.230 nan 0.000 0.435 228 R N -0.655 119.591 120.500 -0.422 0.000 2.105 228 R HA -0.158 4.189 4.340 0.011 0.000 0.239 228 R C 2.166 178.439 176.300 -0.045 0.000 1.135 228 R CA 1.329 57.239 56.100 -0.317 0.000 0.967 228 R CB -0.306 29.778 30.300 -0.359 0.000 0.861 228 R HN 0.557 nan 8.270 nan 0.000 0.442 229 A N 0.231 123.028 122.820 -0.038 0.000 1.865 229 A HA -0.182 4.144 4.320 0.011 0.000 0.217 229 A C 2.142 179.764 177.584 0.064 0.000 1.191 229 A CA 2.083 54.130 52.037 0.016 0.000 0.623 229 A CB -0.687 18.313 19.000 0.001 0.000 0.826 229 A HN 0.437 nan 8.150 nan 0.000 0.444 230 S N -1.275 114.466 115.700 0.068 0.000 2.387 230 S HA -0.228 4.249 4.470 0.011 0.000 0.230 230 S C 1.689 176.392 174.600 0.171 0.000 1.035 230 S CA 1.157 59.414 58.200 0.095 0.000 1.014 230 S CB -0.647 62.600 63.200 0.078 0.000 0.836 230 S HN 0.728 nan 8.310 nan 0.000 0.466 231 W N 2.814 124.118 121.300 0.007 0.000 2.338 231 W HA -0.143 4.524 4.660 0.011 0.000 0.304 231 W C 1.799 178.337 176.519 0.032 0.000 1.212 231 W CA 1.642 59.018 57.345 0.051 0.000 1.264 231 W CB -0.137 29.312 29.460 -0.018 0.000 1.142 231 W HN 0.345 nan 8.180 nan 0.000 0.512 232 E N 0.089 120.411 120.200 0.203 0.000 2.110 232 E HA -0.254 4.102 4.350 0.011 0.000 0.193 232 E C 1.904 178.508 176.600 0.008 0.000 0.988 232 E CA 1.297 57.747 56.400 0.084 0.000 0.804 232 E CB -0.792 28.952 29.700 0.074 0.000 0.745 232 E HN 0.546 nan 8.360 nan 0.000 0.458 233 Q N -0.622 119.196 119.800 0.030 0.000 2.016 233 Q HA -0.075 4.272 4.340 0.011 0.000 0.200 233 Q C 0.962 176.969 176.000 0.012 0.000 0.978 233 Q CA 0.864 56.680 55.803 0.021 0.000 0.833 233 Q CB 0.018 28.781 28.738 0.042 0.000 0.895 233 Q HN 0.176 nan 8.270 nan 0.000 0.427 247 L N 2.123 123.300 121.223 -0.078 0.000 3.184 247 L HA 0.030 4.376 4.340 0.011 0.000 0.341 247 L C -0.300 176.577 176.870 0.011 0.000 1.112 247 L CA 1.595 56.396 54.840 -0.066 0.000 0.842 247 L CB 0.018 41.830 42.059 -0.411 0.000 1.260 247 L HN 0.656 nan 8.230 nan 0.000 0.573 248 G N 3.657 112.552 108.800 0.157 0.000 2.605 248 G HA2 0.524 4.491 3.960 0.011 0.000 0.296 248 G HA3 0.524 4.491 3.960 0.011 0.000 0.296 248 G C -0.473 174.533 174.900 0.175 0.000 1.304 248 G CA -0.353 44.820 45.100 0.121 0.000 0.941 248 G HN 1.153 nan 8.290 nan 0.000 0.475 249 V N -0.874 119.100 119.914 0.100 0.000 2.996 249 V HA 0.009 4.135 4.120 0.011 0.000 0.289 249 V C 0.085 176.193 176.094 0.024 0.000 1.171 249 V CA -0.132 62.207 62.300 0.065 0.000 1.298 249 V CB -0.641 31.188 31.823 0.009 0.000 0.803 249 V HN 0.707 nan 8.190 nan 0.000 0.448 250 L N 5.057 126.268 121.223 -0.020 0.000 2.272 250 L HA 0.634 4.980 4.340 0.011 0.000 0.289 250 L C 0.245 177.094 176.870 -0.034 0.000 1.032 250 L CA -0.043 54.714 54.840 -0.139 0.000 0.810 250 L CB 0.994 42.746 42.059 -0.511 0.000 1.205 250 L HN 0.809 nan 8.230 nan 0.000 0.422 251 D N 2.152 122.566 120.400 0.024 0.000 2.622 251 D HA -0.076 4.570 4.640 0.011 0.000 0.227 251 D C 1.203 177.599 176.300 0.160 0.000 1.159 251 D CA 1.108 55.154 54.000 0.077 0.000 0.865 251 D CB 0.807 41.669 40.800 0.104 0.000 1.207 251 D HN 0.769 nan 8.370 nan 0.000 0.492 252 T N -1.260 113.371 114.554 0.128 0.000 3.085 252 T HA 0.305 4.662 4.350 0.011 0.000 0.263 252 T C 0.575 175.408 174.700 0.222 0.000 1.127 252 T CA 0.406 62.608 62.100 0.170 0.000 1.103 252 T CB 0.188 69.113 68.868 0.095 0.000 0.921 252 T HN 0.500 nan 8.240 nan 0.000 0.510 253 A N 1.621 124.510 122.820 0.114 0.000 2.574 253 A HA 0.732 5.059 4.320 0.011 0.000 0.297 253 A C -2.992 174.476 177.584 -0.193 0.000 1.062 253 A CA -1.820 50.178 52.037 -0.065 0.000 0.686 253 A CB 1.366 20.346 19.000 -0.034 0.000 1.285 253 A HN 0.074 nan 8.150 nan 0.000 0.403 254 P HA 0.563 nan 4.420 nan 0.000 0.279 254 P C -0.345 176.777 177.300 -0.297 0.000 1.282 254 P CA -0.259 62.569 63.100 -0.453 0.000 0.788 254 P CB 0.881 32.118 31.700 -0.771 0.000 1.139 255 V N -3.449 116.277 119.914 -0.314 0.000 3.001 255 V HA 0.542 4.668 4.120 0.011 0.000 0.314 255 V C -0.327 175.592 176.094 -0.291 0.000 1.099 255 V CA -1.141 61.001 62.300 -0.262 0.000 0.989 255 V CB 1.693 33.350 31.823 -0.276 0.000 1.040 255 V HN 0.214 nan 8.190 nan 0.000 0.434 256 V N 3.462 123.243 119.914 -0.223 0.000 2.461 256 V HA 0.351 4.478 4.120 0.011 0.000 0.275 256 V C -0.016 175.953 176.094 -0.209 0.000 1.047 256 V CA -0.120 62.060 62.300 -0.200 0.000 0.955 256 V CB 1.063 32.806 31.823 -0.132 0.000 0.988 256 V HN 0.819 nan 8.190 nan 0.000 0.471 257 L N 7.513 128.603 121.223 -0.221 0.000 2.264 257 L HA 0.551 4.898 4.340 0.011 0.000 0.289 257 L C -0.289 176.478 176.870 -0.173 0.000 1.044 257 L CA 0.267 54.975 54.840 -0.219 0.000 0.807 257 L CB 1.525 43.451 42.059 -0.221 0.000 1.192 257 L HN 0.400 nan 8.230 nan 0.000 0.425 258 V N 6.455 126.291 119.914 -0.129 0.000 2.348 258 V HA 0.274 4.400 4.120 0.011 0.000 0.270 258 V C -0.040 176.037 176.094 -0.028 0.000 1.037 258 V CA -0.661 61.611 62.300 -0.046 0.000 0.872 258 V CB 1.315 33.192 31.823 0.090 0.000 1.002 258 V HN 0.550 nan 8.190 nan 0.000 0.464 259 V N 6.880 126.704 119.914 -0.149 0.000 2.405 259 V HA 0.253 4.379 4.120 0.011 0.000 0.264 259 V C 0.180 176.255 176.094 -0.033 0.000 1.048 259 V CA -0.151 62.102 62.300 -0.078 0.000 0.966 259 V CB 0.983 32.752 31.823 -0.089 0.000 1.015 259 V HN 0.606 nan 8.190 nan 0.000 0.477 260 V N 4.642 124.535 119.914 -0.034 0.000 2.667 260 V HA 0.372 4.498 4.120 0.011 0.000 0.308 260 V C 0.228 176.252 176.094 -0.116 0.000 1.048 260 V CA -0.906 61.340 62.300 -0.091 0.000 0.928 260 V CB 1.730 33.469 31.823 -0.139 0.000 1.004 260 V HN 0.825 nan 8.190 nan 0.000 0.444 261 Q N 0.977 120.695 119.800 -0.137 0.000 2.432 261 Q HA 0.014 4.361 4.340 0.011 0.000 0.264 261 Q C 0.928 176.846 176.000 -0.138 0.000 1.035 261 Q CA 0.001 55.709 55.803 -0.159 0.000 0.908 261 Q CB 0.804 29.455 28.738 -0.145 0.000 1.280 261 Q HN 0.791 nan 8.270 nan 0.000 0.455 262 E N 1.297 121.413 120.200 -0.140 0.000 2.204 262 E HA -0.184 4.173 4.350 0.011 0.000 0.195 262 E C 0.268 176.813 176.600 -0.090 0.000 0.990 262 E CA 1.200 57.535 56.400 -0.108 0.000 0.821 262 E CB 0.245 29.880 29.700 -0.108 0.000 0.750 262 E HN 0.417 nan 8.360 nan 0.000 0.477 263 N N 0.587 119.232 118.700 -0.093 0.000 2.628 263 N HA 0.011 4.757 4.740 0.011 0.000 0.299 263 N C -1.308 174.157 175.510 -0.075 0.000 1.834 263 N CA -0.176 52.829 53.050 -0.075 0.000 0.871 263 N CB 0.314 38.763 38.487 -0.062 0.000 1.377 263 N HN -0.021 nan 8.380 nan 0.000 0.493 264 E N 0.633 120.777 120.200 -0.094 0.000 2.502 264 E HA -0.036 4.320 4.350 0.011 0.000 0.261 264 E C 0.894 177.450 176.600 -0.074 0.000 0.974 264 E CA 0.758 57.100 56.400 -0.097 0.000 0.936 264 E CB 0.634 30.245 29.700 -0.148 0.000 0.926 264 E HN 0.314 nan 8.360 nan 0.000 0.459 265 R N 2.759 123.223 120.500 -0.059 0.000 2.191 265 R HA 0.126 4.472 4.340 0.011 0.000 0.196 265 R C 0.499 176.777 176.300 -0.037 0.000 0.991 265 R CA 0.213 56.289 56.100 -0.039 0.000 1.075 265 R CB 0.087 30.373 30.300 -0.024 0.000 1.040 265 R HN 0.309 nan 8.270 nan 0.000 0.526 266 N N 1.591 120.257 118.700 -0.056 0.000 2.843 266 N HA -0.040 4.706 4.740 0.011 0.000 0.284 266 N C 0.541 176.010 175.510 -0.069 0.000 1.274 266 N CA 0.229 53.242 53.050 -0.062 0.000 1.045 266 N CB 0.236 38.651 38.487 -0.120 0.000 1.370 266 N HN 0.208 nan 8.380 nan 0.000 0.525 267 T N -3.707 110.826 114.554 -0.035 0.000 3.035 267 T HA 0.030 4.386 4.350 0.011 0.000 0.268 267 T C 1.793 176.563 174.700 0.116 0.000 1.109 267 T CA 0.735 62.844 62.100 0.016 0.000 1.119 267 T CB -0.077 68.833 68.868 0.069 0.000 0.900 267 T HN 0.171 nan 8.240 nan 0.000 0.503 268 A N 2.352 125.208 122.820 0.059 0.000 1.845 268 A HA -0.125 4.201 4.320 0.011 0.000 0.215 268 A C 2.115 179.730 177.584 0.051 0.000 1.195 268 A CA 1.986 54.061 52.037 0.063 0.000 0.616 268 A CB -1.353 17.666 19.000 0.031 0.000 0.832 268 A HN 0.531 nan 8.150 nan 0.000 0.443 269 D N -0.816 119.585 120.400 0.002 0.000 2.160 269 D HA -0.232 4.414 4.640 0.011 0.000 0.189 269 D C 2.203 178.472 176.300 -0.051 0.000 1.003 269 D CA 2.146 56.121 54.000 -0.042 0.000 0.846 269 D CB -0.231 40.485 40.800 -0.140 0.000 0.949 269 D HN 0.622 nan 8.370 nan 0.000 0.446 270 Q N -1.355 118.401 119.800 -0.073 0.000 2.014 270 Q HA -0.218 4.129 4.340 0.011 0.000 0.207 270 Q C 2.346 178.273 176.000 -0.121 0.000 0.993 270 Q CA 1.657 57.392 55.803 -0.112 0.000 0.850 270 Q CB -0.365 28.249 28.738 -0.207 0.000 0.916 270 Q HN 0.501 nan 8.270 nan 0.000 0.417 271 Y N 0.179 120.449 120.300 -0.049 0.000 2.200 271 Y HA -0.170 4.386 4.550 0.011 0.000 0.290 271 Y C 2.451 178.302 175.900 -0.081 0.000 1.137 271 Y CA 0.876 58.942 58.100 -0.058 0.000 1.163 271 Y CB -0.555 37.910 38.460 0.009 0.000 0.988 271 Y HN 0.165 nan 8.280 nan 0.000 0.518 272 A N 0.227 123.101 122.820 0.091 0.000 1.940 272 A HA -0.245 4.081 4.320 0.011 0.000 0.221 272 A C 2.215 179.784 177.584 -0.025 0.000 1.190 272 A CA 2.155 54.208 52.037 0.026 0.000 0.647 272 A CB -1.146 17.856 19.000 0.003 0.000 0.821 272 A HN 0.490 nan 8.150 nan 0.000 0.457 273 L N -1.147 120.036 121.223 -0.067 0.000 2.007 273 L HA -0.085 4.262 4.340 0.011 0.000 0.205 273 L C 2.587 179.371 176.870 -0.143 0.000 1.073 273 L CA 1.013 55.788 54.840 -0.108 0.000 0.744 273 L CB -0.496 41.491 42.059 -0.120 0.000 0.898 273 L HN 0.347 nan 8.230 nan 0.000 0.435 274 L N -0.872 120.196 121.223 -0.258 0.000 2.131 274 L HA -0.213 4.133 4.340 0.011 0.000 0.210 274 L C 2.667 179.348 176.870 -0.316 0.000 1.092 274 L CA 0.908 55.437 54.840 -0.519 0.000 0.759 274 L CB -0.376 40.951 42.059 -1.220 0.000 0.903 274 L HN 0.374 nan 8.230 nan 0.000 0.435 275 M N -0.841 118.701 119.600 -0.096 0.000 2.296 275 M HA -0.182 4.305 4.480 0.011 0.000 0.265 275 M C 2.282 178.633 176.300 0.084 0.000 1.064 275 M CA 1.400 56.781 55.300 0.136 0.000 1.109 275 M CB -0.850 31.843 32.600 0.156 0.000 1.396 275 M HN 0.237 nan 8.290 nan 0.000 0.430 276 R N 0.064 120.571 120.500 0.011 0.000 2.093 276 R HA -0.051 4.295 4.340 0.011 0.000 0.224 276 R C 2.066 178.369 176.300 0.004 0.000 1.101 276 R CA 0.774 56.860 56.100 -0.022 0.000 0.979 276 R CB 0.027 30.301 30.300 -0.044 0.000 0.877 276 R HN 0.129 nan 8.270 nan 0.000 0.441 277 V N 1.434 121.391 119.914 0.072 0.000 2.324 277 V HA -0.280 3.847 4.120 0.011 0.000 0.250 277 V C 2.191 178.371 176.094 0.143 0.000 1.060 277 V CA 1.732 64.118 62.300 0.143 0.000 1.042 277 V CB -0.504 31.363 31.823 0.073 0.000 0.650 277 V HN 0.333 nan 8.190 nan 0.000 0.450 278 L N -0.022 121.315 121.223 0.189 0.000 2.007 278 L HA -0.093 4.254 4.340 0.011 0.000 0.205 278 L C 2.394 179.294 176.870 0.051 0.000 1.073 278 L CA 1.966 56.888 54.840 0.136 0.000 0.744 278 L CB -0.704 41.477 42.059 0.204 0.000 0.898 278 L HN 0.339 nan 8.230 nan 0.000 0.435 279 E N -0.995 119.228 120.200 0.039 0.000 2.076 279 E HA -0.208 4.148 4.350 0.011 0.000 0.190 279 E C 1.946 178.506 176.600 -0.067 0.000 0.979 279 E CA 1.188 57.583 56.400 -0.007 0.000 0.807 279 E CB 0.087 29.788 29.700 0.001 0.000 0.761 279 E HN 0.622 nan 8.360 nan 0.000 0.454 280 E N 0.028 120.138 120.200 -0.149 0.000 2.057 280 E HA -0.088 4.269 4.350 0.011 0.000 0.190 280 E C 1.439 177.850 176.600 -0.315 0.000 0.969 280 E CA 0.543 56.761 56.400 -0.303 0.000 0.812 280 E CB 0.245 29.633 29.700 -0.520 0.000 0.777 280 E HN 0.226 nan 8.360 nan 0.000 0.455 281 H N 0.671 119.733 119.070 -0.013 0.000 2.517 281 H HA 0.215 4.777 4.556 0.011 0.000 0.282 281 H C -0.001 175.317 175.328 -0.017 0.000 1.023 281 H CA 0.276 56.312 56.048 -0.021 0.000 1.169 281 H CB 0.489 30.230 29.762 -0.035 0.000 1.454 281 H HN 0.100 nan 8.280 nan 0.000 0.556 282 R N 0.102 120.635 120.500 0.055 0.000 3.502 282 R HA -0.166 4.180 4.340 0.011 0.000 0.266 282 R C -0.297 176.016 176.300 0.021 0.000 1.077 282 R CA 0.426 56.542 56.100 0.027 0.000 0.718 282 R CB -2.935 27.377 30.300 0.020 0.000 1.120 282 R HN 0.417 nan 8.270 nan 0.000 0.457 283 I N 0.287 120.876 120.570 0.031 0.000 2.509 283 I HA 0.332 4.509 4.170 0.011 0.000 0.293 283 I C 0.719 176.819 176.117 -0.028 0.000 1.020 283 I CA -1.135 60.161 61.300 -0.007 0.000 1.088 283 I CB 2.365 40.362 38.000 -0.005 0.000 1.267 283 I HN -0.051 nan 8.210 nan 0.000 0.430 284 R N 5.605 126.046 120.500 -0.098 0.000 2.357 284 R HA 0.472 4.818 4.340 0.011 0.000 0.296 284 R C -1.182 174.983 176.300 -0.226 0.000 1.052 284 R CA -0.278 55.694 56.100 -0.212 0.000 0.988 284 R CB 0.691 30.873 30.300 -0.197 0.000 1.025 284 R HN 0.440 nan 8.270 nan 0.000 0.469 285 F N 3.947 123.733 119.950 -0.273 0.000 2.470 285 F HA 0.646 5.179 4.527 0.011 0.000 0.329 285 F C -0.531 174.961 175.800 -0.513 0.000 1.072 285 F CA -1.513 56.243 58.000 -0.407 0.000 0.989 285 F CB 0.826 39.541 39.000 -0.475 0.000 1.193 285 F HN 0.369 nan 8.300 nan 0.000 0.481 286 I N -0.352 119.970 120.570 -0.414 0.000 2.619 286 I HA 0.586 4.763 4.170 0.011 0.000 0.292 286 I C -1.918 173.989 176.117 -0.351 0.000 1.100 286 I CA -0.889 60.128 61.300 -0.471 0.000 1.043 286 I CB 1.998 39.617 38.000 -0.637 0.000 1.239 286 I HN 0.465 nan 8.210 nan 0.000 0.420 287 F N 4.845 124.768 119.950 -0.046 0.000 2.408 287 F HA 0.705 5.239 4.527 0.011 0.000 0.344 287 F C 0.428 176.188 175.800 -0.067 0.000 1.112 287 F CA -0.311 57.656 58.000 -0.055 0.000 1.096 287 F CB 1.144 40.129 39.000 -0.026 0.000 1.129 287 F HN 0.378 nan 8.300 nan 0.000 0.486 288 R N 0.635 121.211 120.500 0.127 0.000 2.698 288 R HA 0.418 4.765 4.340 0.011 0.000 0.275 288 R C -0.458 175.859 176.300 0.027 0.000 1.001 288 R CA -0.810 55.323 56.100 0.055 0.000 0.896 288 R CB 1.803 32.112 30.300 0.015 0.000 1.218 288 R HN 0.715 nan 8.270 nan 0.000 0.462 289 T N -1.480 113.080 114.554 0.010 0.000 2.788 289 T HA 0.317 4.673 4.350 0.011 0.000 0.280 289 T C 1.770 176.470 174.700 -0.001 0.000 0.984 289 T CA -0.724 61.364 62.100 -0.020 0.000 0.972 289 T CB 0.763 69.609 68.868 -0.036 0.000 1.039 289 T HN 0.427 nan 8.240 nan 0.000 0.530 290 L N 0.149 121.358 121.223 -0.023 0.000 2.005 290 L HA -0.111 4.235 4.340 0.011 0.000 0.207 290 L C 3.273 180.173 176.870 0.050 0.000 1.072 290 L CA 1.171 56.024 54.840 0.021 0.000 0.744 290 L CB -0.578 41.466 42.059 -0.024 0.000 0.895 290 L HN 0.674 nan 8.230 nan 0.000 0.433 291 Q N 0.208 120.014 119.800 0.010 0.000 2.156 291 Q HA -0.299 4.048 4.340 0.011 0.000 0.211 291 Q C 2.047 178.096 176.000 0.081 0.000 0.995 291 Q CA 1.944 57.765 55.803 0.029 0.000 0.877 291 Q CB -0.238 28.496 28.738 -0.007 0.000 0.920 291 Q HN 0.579 nan 8.270 nan 0.000 0.416 292 E N -0.123 120.112 120.200 0.059 0.000 2.047 292 E HA -0.113 4.244 4.350 0.011 0.000 0.191 292 E C 2.232 178.885 176.600 0.088 0.000 0.987 292 E CA 0.577 57.018 56.400 0.069 0.000 0.799 292 E CB -0.070 29.659 29.700 0.048 0.000 0.752 292 E HN 0.286 nan 8.360 nan 0.000 0.449 293 L N 0.759 122.034 121.223 0.086 0.000 2.131 293 L HA -0.213 4.134 4.340 0.011 0.000 0.210 293 L C 2.728 179.664 176.870 0.110 0.000 1.092 293 L CA 1.024 55.915 54.840 0.085 0.000 0.759 293 L CB -0.628 41.479 42.059 0.080 0.000 0.903 293 L HN 0.354 nan 8.230 nan 0.000 0.435 294 H N 0.468 119.572 119.070 0.056 0.000 2.426 294 H HA -0.201 4.361 4.556 0.011 0.000 0.298 294 H C 2.024 177.386 175.328 0.057 0.000 1.107 294 H CA 1.882 57.967 56.048 0.062 0.000 1.298 294 H CB 0.305 30.104 29.762 0.061 0.000 1.377 294 H HN 0.251 nan 8.280 nan 0.000 0.519 295 L N -0.335 120.913 121.223 0.041 0.000 2.253 295 L HA 0.017 4.364 4.340 0.011 0.000 0.205 295 L C 2.738 179.613 176.870 0.009 0.000 1.078 295 L CA 0.819 55.657 54.840 -0.004 0.000 0.805 295 L CB -0.180 41.922 42.059 0.071 0.000 0.963 295 L HN 0.032 nan 8.230 nan 0.000 0.459 296 S N -0.415 115.309 115.700 0.040 0.000 2.522 296 S HA 0.160 4.637 4.470 0.011 0.000 0.227 296 S C 0.460 175.088 174.600 0.048 0.000 0.986 296 S CA 0.161 58.391 58.200 0.049 0.000 0.929 296 S CB -0.064 63.170 63.200 0.057 0.000 0.769 296 S HN 0.155 nan 8.310 nan 0.000 0.529 297 L N 1.808 123.053 121.223 0.037 0.000 2.372 297 L HA 0.524 4.871 4.340 0.011 0.000 0.274 297 L C -0.947 175.952 176.870 0.049 0.000 0.988 297 L CA -0.214 54.657 54.840 0.052 0.000 0.833 297 L CB 1.202 43.293 42.059 0.053 0.000 1.236 297 L HN -0.232 nan 8.230 nan 0.000 0.410 298 K N 5.151 125.607 120.400 0.093 0.000 2.350 298 K HA 0.633 4.960 4.320 0.011 0.000 0.241 298 K C -1.405 175.256 176.600 0.101 0.000 0.994 298 K CA -0.943 55.380 56.287 0.061 0.000 0.839 298 K CB 2.470 34.996 32.500 0.043 0.000 1.244 298 K HN 0.527 nan 8.250 nan 0.000 0.443 299 L N 1.747 122.962 121.223 -0.013 0.000 2.325 299 L HA 0.414 4.760 4.340 0.011 0.000 0.278 299 L C -0.778 176.031 176.870 -0.102 0.000 1.023 299 L CA -0.789 54.081 54.840 0.050 0.000 0.811 299 L CB 1.104 43.192 42.059 0.048 0.000 1.249 299 L HN 0.585 nan 8.230 nan 0.000 0.431 300 H N 0.489 119.672 119.070 0.188 0.000 2.991 300 H HA 0.188 4.750 4.556 0.011 0.000 0.304 300 H C -0.310 175.133 175.328 0.192 0.000 1.040 300 H CA -0.210 55.982 56.048 0.240 0.000 1.410 300 H CB 1.767 31.805 29.762 0.460 0.000 1.529 300 H HN 0.459 nan 8.280 nan 0.000 0.509 301 S N 3.000 118.799 115.700 0.164 0.000 2.531 301 S HA 0.189 4.665 4.470 0.011 0.000 0.279 301 S C 1.086 175.722 174.600 0.060 0.000 1.305 301 S CA -0.242 58.014 58.200 0.093 0.000 1.058 301 S CB 0.253 63.471 63.200 0.030 0.000 0.899 301 S HN 0.615 nan 8.310 nan 0.000 0.493 302 I N 3.105 123.706 120.570 0.051 0.000 2.962 302 I HA 0.161 4.337 4.170 0.011 0.000 0.246 302 I C 1.037 177.125 176.117 -0.049 0.000 1.091 302 I CA 0.002 61.298 61.300 -0.006 0.000 1.469 302 I CB -0.261 37.765 38.000 0.045 0.000 1.324 302 I HN 0.559 nan 8.210 nan 0.000 0.461 303 S N 1.891 117.575 115.700 -0.027 0.000 2.475 303 S HA 0.345 4.821 4.470 0.011 0.000 0.298 303 S C -1.799 172.784 174.600 -0.029 0.000 1.119 303 S CA -1.681 56.496 58.200 -0.038 0.000 1.085 303 S CB 1.307 64.484 63.200 -0.038 0.000 1.028 303 S HN -0.022 nan 8.310 nan 0.000 0.489 304 P HA 0.040 nan 4.420 nan 0.000 0.230 304 P C 0.533 177.813 177.300 -0.033 0.000 1.158 304 P CA 0.696 63.779 63.100 -0.029 0.000 0.769 304 P CB 0.228 31.910 31.700 -0.030 0.000 0.807 305 E N -0.676 119.500 120.200 -0.039 0.000 2.442 305 E HA 0.025 4.381 4.350 0.011 0.000 0.195 305 E C 0.611 177.173 176.600 -0.063 0.000 1.030 305 E CA 0.438 56.807 56.400 -0.051 0.000 0.869 305 E CB 0.022 29.692 29.700 -0.050 0.000 0.857 305 E HN 0.418 nan 8.360 nan 0.000 0.505 306 Q N 0.679 120.450 119.800 -0.048 0.000 2.306 306 Q HA 0.347 4.693 4.340 0.011 0.000 0.265 306 Q C -2.387 173.602 176.000 -0.018 0.000 1.022 306 Q CA -2.527 53.247 55.803 -0.048 0.000 0.853 306 Q CB 1.666 30.381 28.738 -0.039 0.000 1.327 306 Q HN 0.007 nan 8.270 nan 0.000 0.449 307 P HA 0.054 nan 4.420 nan 0.000 0.269 307 P C -2.561 174.783 177.300 0.074 0.000 1.209 307 P CA -1.037 62.082 63.100 0.031 0.000 0.776 307 P CB -0.073 31.658 31.700 0.051 0.000 0.876 308 P HA 0.127 nan 4.420 nan 0.000 0.275 308 P C -0.016 177.399 177.300 0.192 0.000 1.227 308 P CA -0.447 62.733 63.100 0.133 0.000 0.781 308 P CB 0.536 32.303 31.700 0.112 0.000 0.906 309 L N 2.611 123.981 121.223 0.245 0.000 2.514 309 L HA 0.225 4.572 4.340 0.011 0.000 0.280 309 L C 0.242 177.266 176.870 0.257 0.000 1.223 309 L CA 0.529 55.541 54.840 0.287 0.000 0.864 309 L CB -0.217 42.013 42.059 0.285 0.000 1.118 309 L HN 0.524 nan 8.230 nan 0.000 0.494 310 A N 5.736 128.677 122.820 0.201 0.000 2.267 310 A HA 0.602 4.928 4.320 0.011 0.000 0.315 310 A C -0.703 176.938 177.584 0.096 0.000 1.297 310 A CA -0.352 51.775 52.037 0.150 0.000 0.865 310 A CB 0.695 19.751 19.000 0.092 0.000 1.165 310 A HN 0.837 nan 8.150 nan 0.000 0.513 311 V N 1.719 121.711 119.914 0.130 0.000 2.539 311 V HA 0.831 4.958 4.120 0.011 0.000 0.292 311 V C -0.228 175.903 176.094 0.061 0.000 1.045 311 V CA -0.541 61.785 62.300 0.044 0.000 0.945 311 V CB 1.257 33.060 31.823 -0.032 0.000 0.993 311 V HN 0.519 nan 8.190 nan 0.000 0.464 312 V N 3.709 123.634 119.914 0.018 0.000 2.667 312 V HA 0.483 4.610 4.120 0.011 0.000 0.308 312 V C 0.165 176.240 176.094 -0.032 0.000 1.048 312 V CA -0.323 61.997 62.300 0.034 0.000 0.928 312 V CB 1.414 33.265 31.823 0.047 0.000 1.004 312 V HN 1.097 nan 8.190 nan 0.000 0.444 313 D N 3.326 123.735 120.400 0.015 0.000 2.702 313 D HA -0.233 4.414 4.640 0.011 0.000 0.233 313 D C 1.381 177.683 176.300 0.004 0.000 1.164 313 D CA 1.494 55.500 54.000 0.011 0.000 0.638 313 D CB -1.059 39.755 40.800 0.024 0.000 1.041 313 D HN 1.356 nan 8.370 nan 0.000 0.422 314 G N 0.432 109.249 108.800 0.029 0.000 2.451 314 G HA2 -0.441 3.526 3.960 0.011 0.000 0.253 314 G HA3 -0.441 3.526 3.960 0.011 0.000 0.253 314 G C 0.768 175.675 174.900 0.013 0.000 1.033 314 G CA 1.360 46.496 45.100 0.061 0.000 0.633 314 G HN 0.739 nan 8.290 nan 0.000 0.537 315 H N -2.204 116.775 119.070 -0.151 0.000 3.091 315 H HA 0.259 4.822 4.556 0.011 0.000 0.249 315 H C 0.366 175.567 175.328 -0.212 0.000 0.985 315 H CA -0.014 55.896 56.048 -0.230 0.000 1.177 315 H CB 0.286 29.858 29.762 -0.316 0.000 1.456 315 H HN 0.310 nan 8.280 nan 0.000 0.467 316 Y N 4.044 124.037 120.300 -0.511 0.000 2.480 316 Y HA 0.305 4.862 4.550 0.011 0.000 0.341 316 Y C -2.249 173.520 175.900 -0.219 0.000 1.031 316 Y CA -2.769 55.124 58.100 -0.345 0.000 1.295 316 Y CB 0.736 38.955 38.460 -0.402 0.000 1.162 316 Y HN 0.172 nan 8.280 nan 0.000 0.523 317 P HA 0.148 nan 4.420 nan 0.000 0.293 317 P C -0.729 176.406 177.300 -0.275 0.000 1.300 317 P CA -0.308 62.731 63.100 -0.101 0.000 0.792 317 P CB 0.854 32.536 31.700 -0.030 0.000 0.925 318 I N 2.963 123.370 120.570 -0.273 0.000 2.312 318 I HA 0.233 4.409 4.170 0.011 0.000 0.291 318 I C 1.332 177.023 176.117 -0.709 0.000 1.031 318 I CA -0.378 60.696 61.300 -0.376 0.000 1.293 318 I CB -0.011 37.862 38.000 -0.212 0.000 1.403 318 I HN 0.420 nan 8.210 nan 0.000 0.484 319 A N 6.092 128.348 122.820 -0.941 0.000 2.014 319 A HA 0.346 4.673 4.320 0.011 0.000 0.210 319 A C 0.663 177.830 177.584 -0.695 0.000 1.188 319 A CA 0.432 51.586 52.037 -1.471 0.000 0.731 319 A CB 0.497 18.730 19.000 -1.279 0.000 0.858 319 A HN 0.414 nan 8.150 nan 0.000 0.464 320 V N -0.108 119.553 119.914 -0.422 0.000 2.623 320 V HA 0.614 4.740 4.120 0.011 0.000 0.304 320 V C -0.393 175.574 176.094 -0.211 0.000 1.054 320 V CA -0.366 61.793 62.300 -0.235 0.000 0.882 320 V CB 1.502 33.217 31.823 -0.180 0.000 1.002 320 V HN 0.412 nan 8.190 nan 0.000 0.424 321 A N 4.798 127.510 122.820 -0.180 0.000 3.000 321 A HA 0.454 4.781 4.320 0.011 0.000 0.315 321 A C -0.512 176.851 177.584 -0.369 0.000 1.434 321 A CA -0.311 51.536 52.037 -0.315 0.000 1.108 321 A CB -0.322 18.485 19.000 -0.322 0.000 1.171 321 A HN 0.882 nan 8.150 nan 0.000 0.524 322 Y N 1.511 121.594 120.300 -0.362 0.000 2.465 322 Y HA 0.357 4.913 4.550 0.011 0.000 0.331 322 Y C -0.933 174.771 175.900 -0.327 0.000 1.102 322 Y CA -0.296 57.658 58.100 -0.243 0.000 1.358 322 Y CB 0.328 38.695 38.460 -0.155 0.000 1.213 322 Y HN 0.510 nan 8.280 nan 0.000 0.525 323 F N 5.976 125.871 119.950 -0.092 0.000 2.411 323 F HA 0.426 4.959 4.527 0.010 0.000 0.352 323 F C 0.213 175.805 175.800 -0.347 0.000 1.123 323 F CA -0.816 57.090 58.000 -0.157 0.000 1.044 323 F CB 1.113 40.109 39.000 -0.007 0.000 1.135 323 F HN 0.412 nan 8.300 nan 0.000 0.461 324 R N 2.267 122.669 120.500 -0.163 0.000 2.935 324 R HA 0.323 4.669 4.340 0.011 0.000 0.354 324 R C -0.792 175.542 176.300 0.056 0.000 1.206 324 R CA -0.259 55.747 56.100 -0.156 0.000 1.082 324 R CB 0.030 30.160 30.300 -0.284 0.000 1.431 324 R HN 0.710 nan 8.270 nan 0.000 0.582 325 S N -3.101 112.686 115.700 0.145 0.000 2.686 325 S HA 0.325 4.802 4.470 0.011 0.000 0.273 325 S C 0.113 174.610 174.600 -0.170 0.000 1.060 325 S CA -0.008 58.135 58.200 -0.095 0.000 0.845 325 S CB 1.859 64.961 63.200 -0.163 0.000 1.086 325 S HN 0.074 nan 8.310 nan 0.000 0.461 326 T N 0.075 114.327 114.554 -0.502 0.000 5.518 326 T HA -0.188 4.169 4.350 0.011 0.000 0.269 326 T C 0.749 175.517 174.700 0.113 0.000 2.211 326 T CA 1.305 63.218 62.100 -0.311 0.000 3.785 326 T CB -2.233 66.519 68.868 -0.195 0.000 0.437 326 T HN 1.276 nan 8.240 nan 0.000 0.789 327 Y N 1.663 122.032 120.300 0.114 0.000 2.421 327 Y HA 0.426 4.982 4.550 0.011 0.000 0.292 327 Y C 0.973 176.989 175.900 0.193 0.000 1.136 327 Y CA 0.551 58.768 58.100 0.195 0.000 1.255 327 Y CB -0.363 38.091 38.460 -0.010 0.000 0.991 327 Y HN 0.400 nan 8.280 nan 0.000 0.552 328 V N -3.847 115.889 119.914 -0.297 0.000 2.769 328 V HA 0.442 4.568 4.120 0.011 0.000 0.312 328 V C -2.224 173.536 176.094 -0.557 0.000 1.061 328 V CA -2.823 59.214 62.300 -0.439 0.000 0.931 328 V CB 1.993 33.616 31.823 -0.334 0.000 1.010 328 V HN -0.289 nan 8.190 nan 0.000 0.433 329 P HA -0.109 nan 4.420 nan 0.000 0.217 329 P C 1.168 178.393 177.300 -0.124 0.000 1.148 329 P CA 1.381 64.244 63.100 -0.395 0.000 0.828 329 P CB 0.265 31.762 31.700 -0.339 0.000 0.783 330 E N -0.596 119.475 120.200 -0.216 0.000 2.265 330 E HA -0.138 4.218 4.350 0.011 0.000 0.196 330 E C 1.178 177.643 176.600 -0.225 0.000 0.996 330 E CA 0.909 57.207 56.400 -0.171 0.000 0.832 330 E CB -0.866 28.733 29.700 -0.169 0.000 0.756 330 E HN 0.308 nan 8.360 nan 0.000 0.491 331 D N -0.860 119.318 120.400 -0.370 0.000 2.349 331 D HA -0.025 4.622 4.640 0.011 0.000 0.224 331 D C -0.446 175.421 176.300 -0.722 0.000 1.029 331 D CA 0.391 54.067 54.000 -0.540 0.000 0.879 331 D CB 0.087 40.452 40.800 -0.726 0.000 0.906 331 D HN 0.155 nan 8.370 nan 0.000 0.528 332 F N 0.550 120.330 119.950 -0.284 0.000 2.530 332 F HA 0.252 4.786 4.527 0.011 0.000 0.318 332 F C -1.426 174.267 175.800 -0.178 0.000 1.356 332 F CA -1.988 55.759 58.000 -0.422 0.000 1.135 332 F CB 1.280 39.752 39.000 -0.881 0.000 1.315 332 F HN -0.158 nan 8.300 nan 0.000 0.549 333 P HA -0.064 nan 4.420 nan 0.000 0.216 333 P C 0.553 177.900 177.300 0.078 0.000 1.153 333 P CA 1.225 64.346 63.100 0.034 0.000 0.848 333 P CB 0.046 31.735 31.700 -0.018 0.000 0.787 334 T N -3.442 111.148 114.554 0.058 0.000 2.888 334 T HA 0.309 4.665 4.350 0.011 0.000 0.284 334 T C 0.651 175.444 174.700 0.155 0.000 1.017 334 T CA -0.715 61.429 62.100 0.074 0.000 1.022 334 T CB 1.561 70.426 68.868 -0.004 0.000 1.013 334 T HN -0.257 nan 8.240 nan 0.000 0.465 335 D N 1.504 122.016 120.400 0.187 0.000 2.190 335 D HA -0.115 4.532 4.640 0.011 0.000 0.200 335 D C 2.307 178.705 176.300 0.163 0.000 0.992 335 D CA 1.635 55.779 54.000 0.240 0.000 0.854 335 D CB -0.628 40.253 40.800 0.136 0.000 0.936 335 D HN 0.795 nan 8.370 nan 0.000 0.462 336 A N 0.453 123.279 122.820 0.010 0.000 1.927 336 A HA -0.246 4.081 4.320 0.011 0.000 0.220 336 A C 2.373 179.980 177.584 0.038 0.000 1.185 336 A CA 2.472 54.420 52.037 -0.148 0.000 0.639 336 A CB -0.965 17.740 19.000 -0.492 0.000 0.820 336 A HN 0.291 nan 8.150 nan 0.000 0.451 337 T N -1.789 112.801 114.554 0.060 0.000 2.737 337 T HA -0.184 4.173 4.350 0.011 0.000 0.265 337 T C 1.545 176.355 174.700 0.183 0.000 1.038 337 T CA 1.361 63.514 62.100 0.088 0.000 1.144 337 T CB -0.399 68.478 68.868 0.015 0.000 0.866 337 T HN 0.724 nan 8.240 nan 0.000 0.434 338 W N 1.639 123.057 121.300 0.197 0.000 2.363 338 W HA 0.092 4.758 4.660 0.011 0.000 0.296 338 W C 2.858 179.417 176.519 0.067 0.000 1.212 338 W CA 0.484 57.844 57.345 0.025 0.000 1.260 338 W CB -0.541 28.846 29.460 -0.121 0.000 1.131 338 W HN 0.236 nan 8.180 nan 0.000 0.530 339 A N 0.919 123.926 122.820 0.312 0.000 1.842 339 A HA -0.197 4.129 4.320 0.011 0.000 0.217 339 A C 2.106 179.830 177.584 0.233 0.000 1.206 339 A CA 2.906 55.088 52.037 0.241 0.000 0.630 339 A CB -1.585 17.566 19.000 0.250 0.000 0.839 339 A HN 0.229 nan 8.150 nan 0.000 0.447 340 A N -0.472 122.499 122.820 0.253 0.000 1.940 340 A HA -0.319 4.007 4.320 0.011 0.000 0.221 340 A C 2.195 179.918 177.584 0.232 0.000 1.190 340 A CA 2.920 55.092 52.037 0.224 0.000 0.647 340 A CB -0.552 18.577 19.000 0.216 0.000 0.821 340 A HN 0.537 nan 8.150 nan 0.000 0.457 341 R N -0.613 120.052 120.500 0.276 0.000 2.092 341 R HA -0.046 4.300 4.340 0.011 0.000 0.231 341 R C 1.898 178.359 176.300 0.267 0.000 1.119 341 R CA 1.653 57.944 56.100 0.318 0.000 0.970 341 R CB -0.871 29.654 30.300 0.375 0.000 0.864 341 R HN 0.469 nan 8.270 nan 0.000 0.440 342 L N 0.120 121.477 121.223 0.223 0.000 2.046 342 L HA -0.062 4.284 4.340 0.011 0.000 0.208 342 L C 1.881 178.840 176.870 0.148 0.000 1.077 342 L CA 1.961 56.900 54.840 0.165 0.000 0.747 342 L CB -0.713 41.423 42.059 0.127 0.000 0.896 342 L HN 0.171 nan 8.230 nan 0.000 0.432 343 S N -0.240 115.549 115.700 0.149 0.000 2.359 343 S HA -0.208 4.268 4.470 0.011 0.000 0.224 343 S C 1.929 176.609 174.600 0.133 0.000 1.035 343 S CA 1.851 60.125 58.200 0.123 0.000 1.018 343 S CB -0.595 62.674 63.200 0.115 0.000 0.876 343 S HN 0.446 nan 8.310 nan 0.000 0.448 344 L N 0.978 122.302 121.223 0.167 0.000 1.989 344 L HA -0.184 4.162 4.340 0.011 0.000 0.211 344 L C 2.769 179.756 176.870 0.195 0.000 1.071 344 L CA 1.595 56.542 54.840 0.179 0.000 0.749 344 L CB -0.534 41.677 42.059 0.253 0.000 0.890 344 L HN 0.238 nan 8.230 nan 0.000 0.431 345 E N 0.388 120.723 120.200 0.224 0.000 2.058 345 E HA -0.235 4.121 4.350 0.011 0.000 0.194 345 E C 2.263 178.939 176.600 0.127 0.000 0.997 345 E CA 1.534 58.060 56.400 0.209 0.000 0.801 345 E CB -0.044 29.779 29.700 0.205 0.000 0.746 345 E HN 0.187 nan 8.360 nan 0.000 0.450 346 R N 0.576 121.130 120.500 0.090 0.000 2.127 346 R HA -0.056 4.291 4.340 0.011 0.000 0.238 346 R C 1.405 177.755 176.300 0.084 0.000 1.134 346 R CA 0.842 56.974 56.100 0.052 0.000 0.975 346 R CB -0.552 29.776 30.300 0.046 0.000 0.865 346 R HN 0.242 nan 8.270 nan 0.000 0.447 347 S N -0.026 115.744 115.700 0.116 0.000 2.612 347 S HA -0.049 4.428 4.470 0.011 0.000 0.253 347 S C 1.449 176.154 174.600 0.174 0.000 1.346 347 S CA -0.036 58.248 58.200 0.140 0.000 0.976 347 S CB 1.209 64.490 63.200 0.135 0.000 0.949 347 S HN 0.288 nan 8.310 nan 0.000 0.584 348 S N 0.688 116.529 115.700 0.235 0.000 2.423 348 S HA 0.127 4.604 4.470 0.011 0.000 0.231 348 S C 1.046 175.902 174.600 0.426 0.000 1.014 348 S CA 0.221 58.633 58.200 0.354 0.000 0.965 348 S CB -1.253 62.273 63.200 0.544 0.000 0.785 348 S HN 1.309 nan 8.310 nan 0.000 0.495 349 A N 1.983 124.945 122.820 0.237 0.000 2.546 349 A HA 0.383 4.710 4.320 0.011 0.000 0.243 349 A C 0.336 177.996 177.584 0.127 0.000 1.063 349 A CA -0.271 51.792 52.037 0.045 0.000 0.757 349 A CB -0.533 18.420 19.000 -0.078 0.000 0.991 349 A HN 0.558 nan 8.150 nan 0.000 0.503 350 I N 2.332 122.967 120.570 0.108 0.000 2.598 350 I HA 0.029 4.206 4.170 0.011 0.000 0.284 350 I C 0.593 176.746 176.117 0.060 0.000 1.140 350 I CA 0.656 62.020 61.300 0.106 0.000 1.420 350 I CB 0.396 38.450 38.000 0.090 0.000 1.387 350 I HN 0.604 nan 8.210 nan 0.000 0.553 351 K N 5.158 125.622 120.400 0.106 0.000 2.164 351 K HA 0.459 4.785 4.320 0.011 0.000 0.258 351 K C -0.991 175.722 176.600 0.189 0.000 0.951 351 K CA -0.514 55.879 56.287 0.177 0.000 0.844 351 K CB 1.859 34.544 32.500 0.308 0.000 1.099 351 K HN 0.554 nan 8.250 nan 0.000 0.435 352 C N 5.675 125.158 119.300 0.306 0.000 3.328 352 C HA 0.441 4.908 4.460 0.011 0.000 0.230 352 C C -2.687 172.635 174.990 0.553 0.000 1.232 352 C CA -1.845 57.392 59.018 0.364 0.000 1.431 352 C CB -0.223 27.694 27.740 0.295 0.000 1.818 352 C HN 0.631 nan 8.230 nan 0.000 0.484 353 P HA 0.368 nan 4.420 nan 0.000 0.283 353 P C -0.281 177.239 177.300 0.367 0.000 1.271 353 P CA 0.033 63.385 63.100 0.420 0.000 0.841 353 P CB 1.411 33.353 31.700 0.402 0.000 1.122 354 S N 0.781 116.596 115.700 0.191 0.000 2.593 354 S HA 0.162 4.639 4.470 0.011 0.000 0.269 354 S C 1.722 176.459 174.600 0.227 0.000 1.334 354 S CA -0.649 57.665 58.200 0.190 0.000 1.015 354 S CB -0.145 63.077 63.200 0.037 0.000 0.912 354 S HN 0.278 nan 8.310 nan 0.000 0.541 355 I N 1.642 122.332 120.570 0.200 0.000 2.151 355 I HA -0.092 4.084 4.170 0.011 0.000 0.243 355 I C -0.714 175.465 176.117 0.104 0.000 1.080 355 I CA 1.334 62.722 61.300 0.147 0.000 1.339 355 I CB -2.674 35.384 38.000 0.098 0.000 1.039 355 I HN 0.525 nan 8.210 nan 0.000 0.409 356 P HA -0.145 nan 4.420 nan 0.000 0.222 356 P C 1.460 178.911 177.300 0.252 0.000 1.147 356 P CA 1.299 64.419 63.100 0.033 0.000 0.790 356 P CB -0.088 31.553 31.700 -0.098 0.000 0.780 357 Y N -1.626 118.725 120.300 0.085 0.000 2.206 357 Y HA -0.132 4.424 4.550 0.011 0.000 0.292 357 Y C 2.716 178.712 175.900 0.160 0.000 1.123 357 Y CA 0.575 58.760 58.100 0.142 0.000 1.142 357 Y CB -1.540 37.078 38.460 0.264 0.000 1.006 357 Y HN 0.099 nan 8.280 nan 0.000 0.518 358 H N 0.614 119.849 119.070 0.275 0.000 2.325 358 H HA -0.191 4.371 4.556 0.011 0.000 0.293 358 H C 1.847 177.308 175.328 0.222 0.000 1.106 358 H CA 2.021 58.198 56.048 0.215 0.000 1.247 358 H CB -0.465 29.394 29.762 0.162 0.000 1.359 358 H HN 0.284 nan 8.280 nan 0.000 0.488 359 L N 0.131 121.539 121.223 0.309 0.000 2.622 359 L HA -0.087 4.259 4.340 0.011 0.000 0.233 359 L C 2.179 179.156 176.870 0.179 0.000 1.156 359 L CA 0.033 54.965 54.840 0.153 0.000 0.866 359 L CB -0.054 41.931 42.059 -0.124 0.000 0.980 359 L HN 0.129 nan 8.230 nan 0.000 0.448 360 L N -1.347 119.956 121.223 0.133 0.000 2.509 360 L HA -0.018 4.329 4.340 0.011 0.000 0.222 360 L C 2.337 179.235 176.870 0.047 0.000 1.123 360 L CA 0.781 55.645 54.840 0.040 0.000 0.856 360 L CB -0.347 41.652 42.059 -0.101 0.000 0.985 360 L HN 0.099 nan 8.230 nan 0.000 0.456 361 T N -0.485 114.138 114.554 0.115 0.000 2.881 361 T HA -0.121 4.236 4.350 0.011 0.000 0.270 361 T C 0.643 175.397 174.700 0.090 0.000 1.068 361 T CA 0.601 62.738 62.100 0.061 0.000 1.131 361 T CB -0.390 68.526 68.868 0.081 0.000 0.871 361 T HN -0.037 nan 8.240 nan 0.000 0.479 362 F N 1.820 121.794 119.950 0.041 0.000 2.595 362 F HA 0.038 4.571 4.527 0.011 0.000 0.359 362 F C 1.736 177.535 175.800 -0.001 0.000 1.147 362 F CA -0.149 57.874 58.000 0.038 0.000 1.341 362 F CB 0.621 39.639 39.000 0.029 0.000 1.104 362 F HN -0.253 nan 8.300 nan 0.000 0.603 363 K N 1.710 122.170 120.400 0.099 0.000 2.147 363 K HA -0.147 4.179 4.320 0.011 0.000 0.205 363 K C 2.014 178.655 176.600 0.068 0.000 1.049 363 K CA 1.041 57.354 56.287 0.043 0.000 0.936 363 K CB -0.051 32.456 32.500 0.011 0.000 0.722 363 K HN 0.496 nan 8.250 nan 0.000 0.446 364 K N 0.776 121.249 120.400 0.121 0.000 2.026 364 K HA -0.069 4.258 4.320 0.011 0.000 0.208 364 K C 2.027 178.662 176.600 0.059 0.000 1.048 364 K CA 0.695 57.026 56.287 0.074 0.000 0.929 364 K CB -0.198 32.334 32.500 0.052 0.000 0.713 364 K HN 0.072 nan 8.250 nan 0.000 0.439 365 L N 1.516 122.786 121.223 0.079 0.000 2.083 365 L HA -0.165 4.182 4.340 0.011 0.000 0.209 365 L C 2.337 179.242 176.870 0.059 0.000 1.083 365 L CA 1.545 56.431 54.840 0.077 0.000 0.752 365 L CB -0.985 41.124 42.059 0.083 0.000 0.899 365 L HN 0.303 nan 8.230 nan 0.000 0.433 366 Q N -0.982 118.834 119.800 0.027 0.000 2.124 366 Q HA -0.248 4.098 4.340 0.011 0.000 0.202 366 Q C 2.118 178.086 176.000 -0.054 0.000 0.977 366 Q CA 1.259 57.047 55.803 -0.025 0.000 0.850 366 Q CB -0.147 28.555 28.738 -0.061 0.000 0.901 366 Q HN 0.489 nan 8.270 nan 0.000 0.429 367 Q N 0.698 120.486 119.800 -0.020 0.000 2.230 367 Q HA -0.101 4.246 4.340 0.011 0.000 0.202 367 Q C 1.894 177.904 176.000 0.018 0.000 0.963 367 Q CA 0.860 56.652 55.803 -0.018 0.000 0.866 367 Q CB 0.177 28.923 28.738 0.013 0.000 0.931 367 Q HN 0.442 nan 8.270 nan 0.000 0.452 368 L N 0.052 121.308 121.223 0.055 0.000 2.162 368 L HA -0.049 4.297 4.340 0.011 0.000 0.205 368 L C 2.273 179.218 176.870 0.124 0.000 1.086 368 L CA 0.246 55.151 54.840 0.109 0.000 0.778 368 L CB -0.179 41.974 42.059 0.157 0.000 0.928 368 L HN 0.178 nan 8.230 nan 0.000 0.446 369 L N -0.915 120.368 121.223 0.100 0.000 2.551 369 L HA -0.242 4.105 4.340 0.011 0.000 0.230 369 L C 2.403 179.381 176.870 0.180 0.000 1.163 369 L CA 0.392 55.310 54.840 0.129 0.000 0.826 369 L CB -0.531 41.612 42.059 0.140 0.000 0.943 369 L HN 0.438 nan 8.230 nan 0.000 0.452 370 C N -1.044 118.297 119.300 0.068 0.000 2.518 370 C HA -0.046 4.421 4.460 0.011 0.000 0.279 370 C C 1.168 176.336 174.990 0.296 0.000 1.279 370 C CA -0.140 58.934 59.018 0.093 0.000 1.703 370 C CB -0.406 27.298 27.740 -0.060 0.000 2.072 370 C HN 0.359 nan 8.230 nan 0.000 0.487 371 D N 0.683 121.210 120.400 0.212 0.000 2.351 371 D HA 0.184 4.831 4.640 0.011 0.000 0.251 371 D C 0.779 177.191 176.300 0.186 0.000 1.137 371 D CA 0.248 54.375 54.000 0.212 0.000 0.879 371 D CB 1.679 42.591 40.800 0.186 0.000 1.181 371 D HN 0.023 nan 8.370 nan 0.000 0.448 372 V N 2.999 123.015 119.914 0.170 0.000 2.341 372 V HA -0.169 3.957 4.120 0.011 0.000 0.240 372 V C 1.408 177.558 176.094 0.093 0.000 1.035 372 V CA 1.154 63.536 62.300 0.136 0.000 1.033 372 V CB -0.126 31.761 31.823 0.106 0.000 0.678 372 V HN 0.441 nan 8.190 nan 0.000 0.464 373 D N -0.047 120.401 120.400 0.080 0.000 2.149 373 D HA -0.178 4.468 4.640 0.011 0.000 0.198 373 D C 2.261 178.594 176.300 0.056 0.000 0.990 373 D CA 1.140 55.174 54.000 0.058 0.000 0.839 373 D CB -0.192 40.638 40.800 0.051 0.000 0.948 373 D HN 0.161 nan 8.370 nan 0.000 0.460 374 R N -0.539 120.005 120.500 0.072 0.000 2.090 374 R HA 0.145 4.491 4.340 0.011 0.000 0.219 374 R C 1.847 178.185 176.300 0.063 0.000 1.100 374 R CA 0.603 56.748 56.100 0.074 0.000 0.991 374 R CB 0.015 30.372 30.300 0.094 0.000 0.893 374 R HN 0.079 nan 8.270 nan 0.000 0.443 375 V N -1.146 118.807 119.914 0.065 0.000 3.137 375 V HA 0.065 4.191 4.120 0.011 0.000 0.236 375 V C 1.441 177.510 176.094 -0.041 0.000 1.260 375 V CA 0.206 62.511 62.300 0.008 0.000 1.244 375 V CB 0.040 31.927 31.823 0.105 0.000 1.016 375 V HN 0.106 nan 8.190 nan 0.000 0.477 376 L N 0.257 121.508 121.223 0.046 0.000 2.017 376 L HA -0.074 4.272 4.340 0.011 0.000 0.208 376 L C 2.254 179.161 176.870 0.061 0.000 1.073 376 L CA 2.151 57.024 54.840 0.055 0.000 0.745 376 L CB -0.335 41.827 42.059 0.171 0.000 0.894 376 L HN 0.145 nan 8.230 nan 0.000 0.432 377 V N 0.789 120.751 119.914 0.080 0.000 2.255 377 V HA -0.085 4.041 4.120 0.011 0.000 0.243 377 V C -0.434 175.683 176.094 0.038 0.000 1.038 377 V CA 2.000 64.356 62.300 0.094 0.000 1.008 377 V CB -1.846 30.015 31.823 0.065 0.000 0.645 377 V HN 0.384 nan 8.190 nan 0.000 0.449 378 P HA -0.015 nan 4.420 nan 0.000 0.219 378 P C 1.761 178.994 177.300 -0.111 0.000 1.154 378 P CA 1.275 64.351 63.100 -0.039 0.000 0.826 378 P CB 0.150 31.832 31.700 -0.030 0.000 0.795 379 V N 1.213 121.005 119.914 -0.203 0.000 2.284 379 V HA -0.031 4.096 4.120 0.011 0.000 0.236 379 V C 2.851 178.750 176.094 -0.326 0.000 1.044 379 V CA 2.260 64.343 62.300 -0.362 0.000 1.019 379 V CB -1.790 29.609 31.823 -0.707 0.000 0.657 379 V HN 0.035 nan 8.190 nan 0.000 0.465 380 A N -1.265 121.332 122.820 -0.372 0.000 2.066 380 A HA 0.005 4.332 4.320 0.011 0.000 0.218 380 A C 1.650 178.812 177.584 -0.702 0.000 1.157 380 A CA 1.450 53.165 52.037 -0.536 0.000 0.670 380 A CB -0.386 18.237 19.000 -0.628 0.000 0.804 380 A HN 0.538 nan 8.150 nan 0.000 0.453 381 F N -2.379 117.521 119.950 -0.082 0.000 2.724 381 F HA 0.228 4.762 4.527 0.011 0.000 0.310 381 F C 0.688 176.455 175.800 -0.055 0.000 1.107 381 F CA -0.850 57.111 58.000 -0.065 0.000 1.218 381 F CB -0.359 38.600 39.000 -0.069 0.000 1.042 381 F HN 0.160 nan 8.300 nan 0.000 0.540 382 C N 1.233 120.564 119.300 0.052 0.000 4.300 382 C HA 0.029 4.495 4.460 0.011 0.000 0.304 382 C C 1.740 176.755 174.990 0.041 0.000 1.367 382 C CA 0.186 59.218 59.018 0.023 0.000 2.032 382 C CB -2.231 25.523 27.740 0.023 0.000 1.285 382 C HN 1.121 nan 8.230 nan 0.000 0.737 383 G N -0.269 108.560 108.800 0.048 0.000 2.179 383 G HA2 -0.233 3.734 3.960 0.011 0.000 0.260 383 G HA3 -0.233 3.734 3.960 0.011 0.000 0.260 383 G C -0.197 174.723 174.900 0.032 0.000 0.977 383 G CA 0.507 45.628 45.100 0.035 0.000 0.641 383 G HN 0.799 nan 8.290 nan 0.000 0.533 384 D N 1.299 121.729 120.400 0.051 0.000 2.383 384 D HA 0.438 5.084 4.640 0.011 0.000 0.245 384 D C 1.866 178.152 176.300 -0.024 0.000 1.263 384 D CA 0.581 54.580 54.000 -0.001 0.000 0.936 384 D CB 0.454 41.236 40.800 -0.030 0.000 1.053 384 D HN 0.337 nan 8.370 nan 0.000 0.507 385 S N 2.391 118.074 115.700 -0.028 0.000 2.428 385 S HA -0.134 4.342 4.470 0.011 0.000 0.230 385 S C 1.302 175.847 174.600 -0.092 0.000 1.014 385 S CA 0.512 58.690 58.200 -0.036 0.000 0.957 385 S CB 0.156 63.343 63.200 -0.021 0.000 0.784 385 S HN 0.388 nan 8.310 nan 0.000 0.499 386 D N 2.035 122.368 120.400 -0.112 0.000 2.084 386 D HA -0.072 4.574 4.640 0.011 0.000 0.194 386 D C 2.015 178.182 176.300 -0.222 0.000 0.990 386 D CA 1.241 55.160 54.000 -0.136 0.000 0.826 386 D CB -0.188 40.544 40.800 -0.114 0.000 0.971 386 D HN 0.503 nan 8.370 nan 0.000 0.453 387 K N 0.774 120.970 120.400 -0.341 0.000 2.032 387 K HA -0.108 4.219 4.320 0.011 0.000 0.209 387 K C 2.221 178.421 176.600 -0.667 0.000 1.048 387 K CA 1.136 57.059 56.287 -0.607 0.000 0.927 387 K CB -0.134 31.745 32.500 -1.035 0.000 0.712 387 K HN 0.008 nan 8.250 nan 0.000 0.441 388 A N 1.190 123.709 122.820 -0.502 0.000 1.908 388 A HA -0.131 4.196 4.320 0.011 0.000 0.218 388 A C 2.396 179.854 177.584 -0.210 0.000 1.181 388 A CA 2.006 53.934 52.037 -0.181 0.000 0.627 388 A CB -1.235 17.803 19.000 0.064 0.000 0.818 388 A HN 0.458 nan 8.150 nan 0.000 0.445 389 G N -0.775 107.913 108.800 -0.187 0.000 2.535 389 G HA2 -0.020 3.946 3.960 0.011 0.000 0.218 389 G HA3 -0.020 3.946 3.960 0.011 0.000 0.218 389 G C 1.408 176.207 174.900 -0.168 0.000 1.122 389 G CA 0.981 45.985 45.100 -0.159 0.000 0.769 389 G HN 0.449 nan 8.290 nan 0.000 0.549 390 L N -0.431 120.674 121.223 -0.197 0.000 2.056 390 L HA 0.165 4.512 4.340 0.011 0.000 0.202 390 L C 2.782 179.598 176.870 -0.089 0.000 1.086 390 L CA 0.243 55.003 54.840 -0.134 0.000 0.758 390 L CB -0.604 41.365 42.059 -0.151 0.000 0.912 390 L HN 0.054 nan 8.230 nan 0.000 0.446 391 L N 0.153 121.252 121.223 -0.207 0.000 2.103 391 L HA -0.318 4.029 4.340 0.011 0.000 0.215 391 L C 2.713 179.373 176.870 -0.350 0.000 1.080 391 L CA 1.532 56.225 54.840 -0.246 0.000 0.764 391 L CB -0.660 41.064 42.059 -0.559 0.000 0.890 391 L HN 0.532 nan 8.230 nan 0.000 0.435 392 Q N 0.413 119.889 119.800 -0.539 0.000 2.364 392 Q HA -0.190 4.157 4.340 0.011 0.000 0.209 392 Q C 2.003 177.788 176.000 -0.358 0.000 0.977 392 Q CA 0.981 56.332 55.803 -0.753 0.000 0.885 392 Q CB 0.079 28.571 28.738 -0.411 0.000 0.941 392 Q HN 0.503 nan 8.270 nan 0.000 0.464 393 R N -0.697 119.689 120.500 -0.191 0.000 2.280 393 R HA -0.049 4.298 4.340 0.011 0.000 0.207 393 R C 0.576 176.747 176.300 -0.216 0.000 1.043 393 R CA 0.668 56.643 56.100 -0.208 0.000 1.006 393 R CB 0.117 30.232 30.300 -0.310 0.000 0.885 393 R HN 0.434 nan 8.270 nan 0.000 0.467 394 H N -1.216 117.989 119.070 0.225 0.000 2.512 394 H HA 0.162 4.724 4.556 0.011 0.000 0.276 394 H C -0.485 175.210 175.328 0.612 0.000 1.126 394 H CA -0.294 56.029 56.048 0.458 0.000 1.060 394 H CB 0.310 30.465 29.762 0.654 0.000 1.646 394 H HN -0.081 nan 8.280 nan 0.000 0.571 395 F N 1.829 121.956 119.950 0.294 0.000 2.385 395 F HA 0.198 4.731 4.527 0.011 0.000 0.336 395 F C 0.620 176.512 175.800 0.153 0.000 1.100 395 F CA -1.354 56.781 58.000 0.225 0.000 1.116 395 F CB 1.402 40.505 39.000 0.173 0.000 1.166 395 F HN -0.230 nan 8.300 nan 0.000 0.511 396 V N 5.334 125.390 119.914 0.237 0.000 2.368 396 V HA 0.232 4.359 4.120 0.011 0.000 0.266 396 V C -2.108 173.988 176.094 0.004 0.000 1.045 396 V CA -1.970 60.397 62.300 0.111 0.000 0.899 396 V CB 0.608 32.490 31.823 0.097 0.000 1.006 396 V HN 0.508 nan 8.190 nan 0.000 0.470 397 P HA 0.071 nan 4.420 nan 0.000 0.258 397 P C -0.425 176.586 177.300 -0.481 0.000 1.187 397 P CA 0.457 63.417 63.100 -0.234 0.000 0.767 397 P CB 0.182 31.724 31.700 -0.263 0.000 0.770 398 Q N 2.529 122.090 119.800 -0.398 0.000 2.271 398 Q HA 0.414 4.761 4.340 0.011 0.000 0.258 398 Q C -0.561 175.223 176.000 -0.360 0.000 0.936 398 Q CA -0.487 55.105 55.803 -0.352 0.000 0.909 398 Q CB 0.967 29.615 28.738 -0.150 0.000 1.253 398 Q HN 0.394 nan 8.270 nan 0.000 0.440 399 Y N -0.223 120.104 120.300 0.045 0.000 2.654 399 Y HA 0.474 5.030 4.550 0.011 0.000 0.327 399 Y C 0.258 176.181 175.900 0.039 0.000 1.122 399 Y CA -1.623 56.503 58.100 0.043 0.000 1.227 399 Y CB 1.475 39.957 38.460 0.037 0.000 1.370 399 Y HN 0.448 nan 8.280 nan 0.000 0.528 400 S N 2.286 118.118 115.700 0.220 0.000 2.667 400 S HA 0.440 4.916 4.470 0.011 0.000 0.304 400 S C -1.241 173.408 174.600 0.082 0.000 1.135 400 S CA -0.645 57.631 58.200 0.128 0.000 1.125 400 S CB -0.170 63.098 63.200 0.112 0.000 0.996 400 S HN 0.579 nan 8.310 nan 0.000 0.474 401 L N 4.306 125.556 121.223 0.045 0.000 2.399 401 L HA 0.559 4.905 4.340 0.011 0.000 0.265 401 L C -0.390 176.434 176.870 -0.077 0.000 1.089 401 L CA 0.240 55.064 54.840 -0.026 0.000 0.802 401 L CB 0.424 42.446 42.059 -0.061 0.000 1.180 401 L HN 0.905 nan 8.230 nan 0.000 0.454 402 N N 1.824 120.460 118.700 -0.107 0.000 2.621 402 N HA -0.106 4.640 4.740 0.011 0.000 0.269 402 N C -2.511 173.018 175.510 0.031 0.000 1.154 402 N CA 0.225 53.229 53.050 -0.077 0.000 0.696 402 N CB -1.225 37.125 38.487 -0.229 0.000 0.878 402 N HN 0.462 nan 8.380 nan 0.000 0.550 403 P HA 0.379 nan 4.420 nan 0.000 0.298 403 P C 0.476 177.797 177.300 0.034 0.000 1.334 403 P CA -0.637 62.484 63.100 0.036 0.000 0.942 403 P CB 1.571 33.284 31.700 0.022 0.000 1.162 404 K N 0.469 120.892 120.400 0.038 0.000 2.296 404 K HA 0.031 4.357 4.320 0.011 0.000 0.200 404 K C 0.491 177.106 176.600 0.025 0.000 1.048 404 K CA 0.951 57.256 56.287 0.030 0.000 0.966 404 K CB 0.166 32.684 32.500 0.029 0.000 0.754 404 K HN 0.542 nan 8.250 nan 0.000 0.466 405 E N 0.074 120.290 120.200 0.026 0.000 3.188 405 E HA 0.034 4.390 4.350 0.011 0.000 0.262 405 E C 1.168 177.775 176.600 0.013 0.000 1.341 405 E CA -0.210 56.202 56.400 0.020 0.000 1.140 405 E CB 0.237 29.951 29.700 0.023 0.000 1.306 405 E HN -0.244 nan 8.360 nan 0.000 0.694 406 V N 0.338 120.257 119.914 0.007 0.000 2.427 406 V HA -0.015 4.112 4.120 0.011 0.000 0.248 406 V C 1.119 177.211 176.094 -0.003 0.000 1.051 406 V CA 2.093 64.394 62.300 0.001 0.000 1.048 406 V CB -1.061 30.761 31.823 -0.003 0.000 0.666 406 V HN 0.909 nan 8.190 nan 0.000 0.456 407 G N 0.416 109.214 108.800 -0.003 0.000 2.305 407 G HA2 -0.262 3.704 3.960 0.011 0.000 0.287 407 G HA3 -0.262 3.704 3.960 0.011 0.000 0.287 407 G C 0.478 175.367 174.900 -0.017 0.000 1.036 407 G CA 0.825 45.922 45.100 -0.005 0.000 0.887 407 G HN 0.588 nan 8.290 nan 0.000 0.505 408 E N -0.713 119.473 120.200 -0.024 0.000 2.372 408 E HA 0.041 4.397 4.350 0.011 0.000 0.201 408 E C 1.869 178.445 176.600 -0.041 0.000 0.938 408 E CA 0.267 56.649 56.400 -0.030 0.000 0.944 408 E CB 0.190 29.875 29.700 -0.024 0.000 0.937 408 E HN 0.741 nan 8.360 nan 0.000 0.495 409 E N 1.007 121.180 120.200 -0.046 0.000 2.481 409 E HA 0.078 4.435 4.350 0.011 0.000 0.195 409 E C 1.651 178.202 176.600 -0.081 0.000 1.047 409 E CA 0.372 56.741 56.400 -0.052 0.000 0.867 409 E CB 0.320 29.994 29.700 -0.043 0.000 0.858 409 E HN 0.099 nan 8.360 nan 0.000 0.513 410 A N 0.863 123.621 122.820 -0.102 0.000 1.903 410 A HA -0.034 4.293 4.320 0.011 0.000 0.213 410 A C 2.390 179.939 177.584 -0.058 0.000 1.185 410 A CA 0.413 52.373 52.037 -0.127 0.000 0.628 410 A CB -0.279 18.619 19.000 -0.169 0.000 0.830 410 A HN 0.091 nan 8.150 nan 0.000 0.446 411 V N 0.449 120.336 119.914 -0.045 0.000 2.515 411 V HA -0.226 3.900 4.120 0.011 0.000 0.250 411 V C 2.278 178.330 176.094 -0.071 0.000 1.058 411 V CA 2.122 64.397 62.300 -0.041 0.000 1.064 411 V CB -0.800 31.001 31.823 -0.036 0.000 0.675 411 V HN 0.593 nan 8.190 nan 0.000 0.461 412 E N -0.372 119.779 120.200 -0.082 0.000 2.112 412 E HA -0.133 4.223 4.350 0.011 0.000 0.190 412 E C 2.323 178.800 176.600 -0.204 0.000 0.979 412 E CA 0.552 56.875 56.400 -0.128 0.000 0.814 412 E CB -0.054 29.596 29.700 -0.083 0.000 0.762 412 E HN 0.417 nan 8.360 nan 0.000 0.460 413 K N 0.733 121.072 120.400 -0.101 0.000 1.991 413 K HA -0.157 4.170 4.320 0.011 0.000 0.212 413 K C 2.250 178.817 176.600 -0.055 0.000 1.049 413 K CA 1.054 57.328 56.287 -0.022 0.000 0.932 413 K CB -0.604 31.898 32.500 0.002 0.000 0.717 413 K HN 0.028 nan 8.250 nan 0.000 0.441 414 V N 2.285 122.174 119.914 -0.042 0.000 2.233 414 V HA -0.264 3.863 4.120 0.011 0.000 0.252 414 V C 2.047 178.121 176.094 -0.033 0.000 1.063 414 V CA 1.747 64.042 62.300 -0.007 0.000 1.032 414 V CB -0.428 31.396 31.823 0.001 0.000 0.645 414 V HN 0.313 nan 8.190 nan 0.000 0.446 415 I N -0.125 120.381 120.570 -0.107 0.000 3.607 415 I HA -0.019 4.158 4.170 0.011 0.000 0.303 415 I C 1.718 177.753 176.117 -0.137 0.000 1.261 415 I CA 0.309 61.550 61.300 -0.098 0.000 1.215 415 I CB -0.878 37.067 38.000 -0.092 0.000 1.043 415 I HN 0.448 nan 8.210 nan 0.000 0.465 416 H N 1.141 120.213 119.070 0.003 0.000 2.316 416 H HA 0.123 4.686 4.556 0.011 0.000 0.314 416 H C 0.191 175.522 175.328 0.005 0.000 1.057 416 H CA 0.831 56.880 56.048 0.002 0.000 1.402 416 H CB 0.242 30.004 29.762 0.001 0.000 1.443 416 H HN 0.236 nan 8.280 nan 0.000 0.559 417 D N 0.784 121.275 120.400 0.151 0.000 2.514 417 D HA 0.120 4.767 4.640 0.011 0.000 0.267 417 D C 0.849 177.182 176.300 0.054 0.000 1.165 417 D CA -0.040 54.010 54.000 0.082 0.000 0.958 417 D CB 1.659 42.504 40.800 0.074 0.000 0.992 417 D HN -0.057 nan 8.370 nan 0.000 0.506 418 V N 1.334 121.270 119.914 0.038 0.000 3.306 418 V HA -0.052 4.075 4.120 0.011 0.000 0.264 418 V C 0.941 177.047 176.094 0.020 0.000 1.149 418 V CA 0.888 63.201 62.300 0.022 0.000 1.143 418 V CB -0.069 31.759 31.823 0.009 0.000 0.767 418 V HN 0.424 nan 8.190 nan 0.000 0.476 419 L N 1.848 123.083 121.223 0.020 0.000 2.672 419 L HA 0.286 4.633 4.340 0.011 0.000 0.236 419 L C 0.926 177.803 176.870 0.011 0.000 1.186 419 L CA 0.684 55.532 54.840 0.014 0.000 0.977 419 L CB -0.897 41.169 42.059 0.011 0.000 1.203 419 L HN 0.609 nan 8.230 nan 0.000 0.448 420 Q N 0.311 120.121 119.800 0.016 0.000 2.781 420 Q HA 0.251 4.598 4.340 0.011 0.000 0.316 420 Q C -0.745 175.264 176.000 0.016 0.000 0.768 420 Q CA -0.156 55.653 55.803 0.010 0.000 1.035 420 Q CB 0.593 29.332 28.738 0.001 0.000 1.466 420 Q HN 0.351 nan 8.270 nan 0.000 0.379 421 R N 1.536 122.048 120.500 0.020 0.000 2.569 421 R HA 0.457 4.803 4.340 0.011 0.000 0.293 421 R C -2.511 173.801 176.300 0.020 0.000 1.186 421 R CA -1.103 55.012 56.100 0.025 0.000 0.956 421 R CB 1.916 32.246 30.300 0.050 0.000 1.196 421 R HN 0.286 nan 8.270 nan 0.000 0.444 422 P HA 0.310 nan 4.420 nan 0.000 0.329 422 P C -1.014 176.298 177.300 0.018 0.000 1.319 422 P CA -0.212 62.898 63.100 0.017 0.000 0.742 422 P CB 0.487 32.199 31.700 0.019 0.000 1.564 423 D N -3.275 117.139 120.400 0.022 0.000 2.803 423 D HA 0.163 4.810 4.640 0.011 0.000 0.218 423 D C -0.509 175.816 176.300 0.041 0.000 1.245 423 D CA -0.721 53.297 54.000 0.029 0.000 0.821 423 D CB 0.755 41.571 40.800 0.025 0.000 1.626 423 D HN 0.371 nan 8.370 nan 0.000 0.487 466 V N 1.815 121.804 119.914 0.125 0.000 2.443 466 V HA 0.395 4.521 4.120 0.011 0.000 0.293 466 V C -0.295 175.827 176.094 0.047 0.000 1.021 466 V CA -1.261 61.091 62.300 0.086 0.000 0.848 466 V CB 1.742 33.628 31.823 0.105 0.000 0.998 466 V HN -0.107 nan 8.190 nan 0.000 0.424 467 V N 6.723 126.668 119.914 0.052 0.000 2.509 467 V HA 0.064 4.191 4.120 0.011 0.000 0.297 467 V C 0.281 176.368 176.094 -0.011 0.000 1.014 467 V CA 0.822 63.155 62.300 0.055 0.000 1.127 467 V CB 0.607 32.512 31.823 0.136 0.000 0.925 467 V HN 0.878 nan 8.190 nan 0.000 0.480 468 M N 4.486 124.067 119.600 -0.030 0.000 2.705 468 M HA 0.528 5.014 4.480 0.011 0.000 0.311 468 M C 0.065 176.321 176.300 -0.073 0.000 1.214 468 M CA -0.072 55.175 55.300 -0.089 0.000 0.920 468 M CB 2.161 34.738 32.600 -0.039 0.000 1.687 468 M HN 0.576 nan 8.290 nan 0.000 0.481 469 S N 0.851 116.492 115.700 -0.098 0.000 2.578 469 S HA 0.450 4.927 4.470 0.011 0.000 0.283 469 S C -0.596 173.981 174.600 -0.037 0.000 1.195 469 S CA -0.751 57.421 58.200 -0.046 0.000 1.050 469 S CB 0.749 63.923 63.200 -0.044 0.000 1.012 469 S HN 0.707 nan 8.310 nan 0.000 0.511 470 R N 5.052 125.531 120.500 -0.035 0.000 2.391 470 R HA 0.359 4.706 4.340 0.011 0.000 0.310 470 R C -0.745 175.482 176.300 -0.121 0.000 1.174 470 R CA -0.244 55.825 56.100 -0.052 0.000 1.118 470 R CB -0.233 30.050 30.300 -0.028 0.000 1.134 470 R HN 0.630 nan 8.270 nan 0.000 0.524 471 I N 3.654 124.089 120.570 -0.225 0.000 2.395 471 I HA 0.054 4.231 4.170 0.011 0.000 0.289 471 I C 0.287 176.117 176.117 -0.479 0.000 1.023 471 I CA -0.264 60.761 61.300 -0.459 0.000 1.350 471 I CB 1.617 39.107 38.000 -0.849 0.000 1.409 471 I HN 0.424 nan 8.210 nan 0.000 0.507 472 Q N 5.565 125.163 119.800 -0.337 0.000 2.361 472 Q HA 0.306 4.652 4.340 0.011 0.000 0.250 472 Q C -1.115 174.756 176.000 -0.215 0.000 1.023 472 Q CA -0.272 55.412 55.803 -0.199 0.000 0.915 472 Q CB 0.598 29.280 28.738 -0.093 0.000 1.238 472 Q HN 0.344 nan 8.270 nan 0.000 0.451 473 F N 1.059 121.006 119.950 -0.004 0.000 2.399 473 F HA 0.104 4.637 4.527 0.010 0.000 0.342 473 F C 0.720 176.524 175.800 0.006 0.000 1.106 473 F CA -0.698 57.298 58.000 -0.008 0.000 1.196 473 F CB 0.520 39.512 39.000 -0.012 0.000 1.163 473 F HN 0.488 nan 8.300 nan 0.000 0.547 474 H N 2.252 121.389 119.070 0.112 0.000 3.070 474 H HA 0.294 4.858 4.556 0.012 0.000 0.313 474 H C -1.012 174.325 175.328 0.015 0.000 0.997 474 H CA -0.215 55.838 56.048 0.008 0.000 1.438 474 H CB 0.230 29.950 29.762 -0.070 0.000 1.455 474 H HN 0.282 nan 8.280 nan 0.000 0.575 475 V N 6.087 125.752 119.914 -0.415 0.000 2.394 475 V HA 0.384 4.510 4.120 0.011 0.000 0.282 475 V C 0.248 175.967 176.094 -0.624 0.000 1.031 475 V CA -0.079 61.983 62.300 -0.396 0.000 0.881 475 V CB 0.950 32.679 31.823 -0.156 0.000 0.982 475 V HN 0.987 nan 8.190 nan 0.000 0.451 476 S N 3.058 118.487 115.700 -0.453 0.000 2.811 476 S HA 0.726 5.202 4.470 0.011 0.000 0.311 476 S C -0.390 174.128 174.600 -0.138 0.000 1.152 476 S CA -0.729 57.315 58.200 -0.259 0.000 0.864 476 S CB 2.204 65.302 63.200 -0.169 0.000 1.226 476 S HN 0.529 nan 8.310 nan 0.000 0.541 477 T N 0.053 114.554 114.554 -0.089 0.000 2.918 477 T HA 0.863 5.219 4.350 0.011 0.000 0.286 477 T C 0.052 174.684 174.700 -0.115 0.000 1.026 477 T CA 0.063 62.086 62.100 -0.128 0.000 1.031 477 T CB 1.166 69.926 68.868 -0.179 0.000 1.046 477 T HN 1.282 nan 8.240 nan 0.000 0.479 478 G N 0.583 109.302 108.800 -0.135 0.000 2.451 478 G HA2 0.544 4.510 3.960 0.011 0.000 0.292 478 G HA3 0.544 4.510 3.960 0.011 0.000 0.292 478 G C -1.632 173.234 174.900 -0.057 0.000 1.427 478 G CA -0.730 44.322 45.100 -0.080 0.000 0.792 478 G HN 0.718 nan 8.290 nan 0.000 0.498 479 S N -1.027 114.670 115.700 -0.005 0.000 2.568 479 S HA 0.865 5.341 4.470 0.011 0.000 0.293 479 S C -0.790 173.847 174.600 0.061 0.000 1.089 479 S CA -0.713 57.510 58.200 0.039 0.000 0.945 479 S CB 1.713 64.965 63.200 0.088 0.000 1.077 479 S HN 1.453 nan 8.310 nan 0.000 0.485 480 L N -0.747 120.522 121.223 0.077 0.000 2.409 480 L HA 0.838 5.184 4.340 0.011 0.000 0.255 480 L C -1.373 175.563 176.870 0.111 0.000 1.027 480 L CA -1.041 53.850 54.840 0.086 0.000 0.834 480 L CB 1.120 43.199 42.059 0.033 0.000 1.426 480 L HN 0.578 nan 8.230 nan 0.000 0.411 481 L N 1.681 122.971 121.223 0.111 0.000 2.295 481 L HA 0.947 5.294 4.340 0.011 0.000 0.281 481 L C -0.442 176.443 176.870 0.025 0.000 1.018 481 L CA 0.011 54.914 54.840 0.106 0.000 0.841 481 L CB 0.796 42.962 42.059 0.178 0.000 1.218 481 L HN 1.023 nan 8.230 nan 0.000 0.424 482 A N 3.951 126.782 122.820 0.018 0.000 2.435 482 A HA 0.658 4.984 4.320 0.011 0.000 0.304 482 A C 0.421 178.003 177.584 -0.004 0.000 1.064 482 A CA -0.699 51.332 52.037 -0.009 0.000 0.727 482 A CB 1.127 20.119 19.000 -0.013 0.000 1.284 482 A HN 0.733 nan 8.150 nan 0.000 0.415 483 R N 0.397 120.889 120.500 -0.013 0.000 3.591 483 R HA -0.263 4.084 4.340 0.011 0.000 0.268 483 R C 1.132 177.431 176.300 -0.001 0.000 1.102 483 R CA 1.398 57.493 56.100 -0.007 0.000 0.732 483 R CB -1.685 28.611 30.300 -0.006 0.000 1.117 483 R HN 2.471 nan 8.270 nan 0.000 0.472 484 G N -0.793 108.008 108.800 0.002 0.000 2.148 484 G HA2 -0.273 3.693 3.960 0.011 0.000 0.254 484 G HA3 -0.273 3.693 3.960 0.011 0.000 0.254 484 G C -0.281 174.621 174.900 0.003 0.000 0.981 484 G CA 0.441 45.544 45.100 0.005 0.000 0.670 484 G HN 0.487 nan 8.290 nan 0.000 0.528 485 D N -0.825 119.582 120.400 0.012 0.000 2.433 485 D HA 0.565 5.211 4.640 0.011 0.000 0.236 485 D C -0.184 176.142 176.300 0.043 0.000 1.026 485 D CA -0.423 53.585 54.000 0.014 0.000 0.884 485 D CB 2.286 43.093 40.800 0.012 0.000 1.384 485 D HN 0.035 nan 8.370 nan 0.000 0.477 486 V N 1.808 121.755 119.914 0.055 0.000 2.333 486 V HA 0.224 4.350 4.120 0.011 0.000 0.274 486 V C 0.059 176.209 176.094 0.094 0.000 1.028 486 V CA -0.611 61.756 62.300 0.111 0.000 0.851 486 V CB 1.492 33.419 31.823 0.174 0.000 1.000 486 V HN 0.254 nan 8.190 nan 0.000 0.456 487 V N 5.264 125.227 119.914 0.082 0.000 2.370 487 V HA 0.381 4.507 4.120 0.011 0.000 0.279 487 V C -0.002 176.123 176.094 0.051 0.000 1.029 487 V CA -0.554 61.778 62.300 0.054 0.000 0.870 487 V CB 1.643 33.485 31.823 0.032 0.000 0.984 487 V HN 0.934 nan 8.190 nan 0.000 0.451 488 Q N 4.800 124.625 119.800 0.042 0.000 2.257 488 Q HA 0.602 4.949 4.340 0.011 0.000 0.255 488 Q C -1.289 174.701 176.000 -0.017 0.000 0.920 488 Q CA -0.110 55.702 55.803 0.014 0.000 0.927 488 Q CB 1.450 30.206 28.738 0.029 0.000 1.229 488 Q HN 0.719 nan 8.270 nan 0.000 0.433 489 L N 4.217 125.407 121.223 -0.054 0.000 2.337 489 L HA 0.418 4.765 4.340 0.011 0.000 0.269 489 L C -0.528 176.273 176.870 -0.115 0.000 1.018 489 L CA -0.384 54.419 54.840 -0.062 0.000 0.876 489 L CB 1.368 43.396 42.059 -0.052 0.000 1.236 489 L HN 0.629 nan 8.230 nan 0.000 0.436 490 E N 4.533 124.675 120.200 -0.097 0.000 2.180 490 E HA 0.226 4.582 4.350 0.011 0.000 0.283 490 E C -0.202 176.369 176.600 -0.048 0.000 1.061 490 E CA -0.697 55.634 56.400 -0.115 0.000 0.861 490 E CB 0.510 30.222 29.700 0.020 0.000 1.056 490 E HN 0.256 nan 8.360 nan 0.000 0.407 491 R N 2.940 123.406 120.500 -0.058 0.000 3.158 491 R HA -0.229 4.117 4.340 0.011 0.000 0.244 491 R C -0.421 175.851 176.300 -0.047 0.000 0.900 491 R CA 0.549 56.626 56.100 -0.037 0.000 0.618 491 R CB -1.594 28.711 30.300 0.007 0.000 1.061 491 R HN 0.654 nan 8.270 nan 0.000 0.471 492 N N -0.255 118.405 118.700 -0.067 0.000 2.471 492 N HA 0.124 4.870 4.740 0.011 0.000 0.264 492 N C -1.108 174.364 175.510 -0.062 0.000 1.493 492 N CA -0.178 52.839 53.050 -0.054 0.000 0.932 492 N CB 0.547 39.012 38.487 -0.036 0.000 1.405 492 N HN 0.346 nan 8.380 nan 0.000 0.505 493 M N 1.480 121.029 119.600 -0.085 0.000 2.183 493 M HA 0.444 4.930 4.480 0.011 0.000 0.277 493 M C -1.386 174.854 176.300 -0.100 0.000 0.995 493 M CA -0.532 54.720 55.300 -0.080 0.000 0.969 493 M CB 1.067 33.621 32.600 -0.077 0.000 1.659 493 M HN 0.330 nan 8.290 nan 0.000 0.462 494 C N 1.443 120.697 119.300 -0.077 0.000 2.376 494 C HA 0.932 5.399 4.460 0.011 0.000 0.335 494 C C 0.167 175.129 174.990 -0.047 0.000 1.229 494 C CA -0.737 58.238 59.018 -0.072 0.000 1.867 494 C CB 0.938 28.645 27.740 -0.056 0.000 2.319 494 C HN 0.829 nan 8.230 nan 0.000 0.515 495 S N 0.438 116.129 115.700 -0.016 0.000 2.568 495 S HA 0.644 5.120 4.470 0.011 0.000 0.302 495 S C -0.781 173.855 174.600 0.060 0.000 1.082 495 S CA -0.466 57.748 58.200 0.023 0.000 1.009 495 S CB 1.496 64.736 63.200 0.065 0.000 1.069 495 S HN 0.888 nan 8.310 nan 0.000 0.500 496 E N 1.858 122.095 120.200 0.062 0.000 2.402 496 E HA 0.378 4.735 4.350 0.011 0.000 0.244 496 E C -1.492 175.176 176.600 0.113 0.000 0.945 496 E CA -0.404 56.042 56.400 0.076 0.000 0.774 496 E CB 0.774 30.462 29.700 -0.020 0.000 1.296 496 E HN 0.368 nan 8.360 nan 0.000 0.414 497 V N 3.343 123.388 119.914 0.218 0.000 2.470 497 V HA 0.378 4.504 4.120 0.011 0.000 0.276 497 V C 0.777 176.944 176.094 0.122 0.000 1.040 497 V CA 0.239 62.612 62.300 0.121 0.000 1.008 497 V CB 1.224 32.998 31.823 -0.081 0.000 0.990 497 V HN 0.710 nan 8.190 nan 0.000 0.477 498 G N 6.109 114.952 108.800 0.071 0.000 2.522 498 G HA2 0.568 4.535 3.960 0.011 0.000 0.318 498 G HA3 0.568 4.535 3.960 0.011 0.000 0.318 498 G C -0.559 174.303 174.900 -0.064 0.000 1.192 498 G CA -0.511 44.557 45.100 -0.053 0.000 0.988 498 G HN 0.471 nan 8.290 nan 0.000 0.480 499 I N 2.994 123.601 120.570 0.062 0.000 2.352 499 I HA 0.318 4.495 4.170 0.011 0.000 0.290 499 I C -0.049 176.099 176.117 0.051 0.000 1.036 499 I CA -1.164 60.252 61.300 0.195 0.000 1.336 499 I CB 0.299 38.497 38.000 0.329 0.000 1.407 499 I HN 0.212 nan 8.210 nan 0.000 0.497 500 F N 3.809 123.861 119.950 0.169 0.000 2.380 500 F HA 0.621 5.154 4.527 0.011 0.000 0.325 500 F C 1.111 176.954 175.800 0.071 0.000 1.136 500 F CA 0.012 58.058 58.000 0.077 0.000 1.171 500 F CB 1.288 40.275 39.000 -0.023 0.000 1.230 500 F HN 0.504 nan 8.300 nan 0.000 0.554 501 G N -0.017 108.969 108.800 0.309 0.000 2.696 501 G HA2 0.609 4.575 3.960 0.011 0.000 0.295 501 G HA3 0.609 4.575 3.960 0.011 0.000 0.295 501 G C -1.916 173.020 174.900 0.059 0.000 1.398 501 G CA -0.837 44.380 45.100 0.194 0.000 0.920 501 G HN 0.755 nan 8.290 nan 0.000 0.492 502 V N -0.853 119.084 119.914 0.039 0.000 2.823 502 V HA 0.910 5.036 4.120 0.011 0.000 0.312 502 V C -0.574 175.589 176.094 0.116 0.000 1.072 502 V CA -1.139 61.178 62.300 0.027 0.000 0.937 502 V CB 1.637 33.518 31.823 0.096 0.000 1.013 502 V HN 0.999 nan 8.190 nan 0.000 0.430 503 I N 3.362 123.926 120.570 -0.010 0.000 2.827 503 I HA 0.739 4.915 4.170 0.011 0.000 0.298 503 I C -2.216 173.698 176.117 -0.339 0.000 1.235 503 I CA -0.998 60.244 61.300 -0.097 0.000 1.021 503 I CB 2.214 40.179 38.000 -0.058 0.000 1.259 503 I HN 0.813 nan 8.210 nan 0.000 0.427 504 L N 6.797 127.593 121.223 -0.711 0.000 2.439 504 L HA 0.736 5.082 4.340 0.011 0.000 0.270 504 L C -1.182 175.473 176.870 -0.358 0.000 0.972 504 L CA 0.060 54.512 54.840 -0.646 0.000 0.836 504 L CB 1.801 43.172 42.059 -1.148 0.000 1.255 504 L HN 0.691 nan 8.230 nan 0.000 0.404 505 S N 3.114 118.733 115.700 -0.135 0.000 2.579 505 S HA 1.016 5.492 4.470 0.011 0.000 0.272 505 S C -0.445 174.169 174.600 0.022 0.000 1.141 505 S CA -0.259 57.923 58.200 -0.030 0.000 0.843 505 S CB 1.495 64.725 63.200 0.050 0.000 1.122 505 S HN 0.986 nan 8.310 nan 0.000 0.468 506 A N 1.359 124.205 122.820 0.043 0.000 2.806 506 A HA 0.971 5.298 4.320 0.011 0.000 0.254 506 A C 0.684 178.337 177.584 0.115 0.000 1.437 506 A CA -0.504 51.575 52.037 0.071 0.000 0.903 506 A CB -0.407 18.621 19.000 0.047 0.000 1.609 506 A HN 1.866 nan 8.150 nan 0.000 0.505 507 A N -0.891 122.006 122.820 0.129 0.000 2.448 507 A HA 0.275 4.601 4.320 0.011 0.000 0.239 507 A C 1.137 178.795 177.584 0.123 0.000 1.080 507 A CA 0.485 52.624 52.037 0.168 0.000 0.779 507 A CB -0.084 19.008 19.000 0.154 0.000 1.026 507 A HN 0.773 nan 8.150 nan 0.000 0.499 508 K N 0.848 121.326 120.400 0.129 0.000 2.063 508 K HA -0.158 4.168 4.320 0.011 0.000 0.208 508 K C 1.442 178.082 176.600 0.065 0.000 1.048 508 K CA 1.736 58.073 56.287 0.082 0.000 0.928 508 K CB -0.141 32.397 32.500 0.063 0.000 0.713 508 K HN 0.804 nan 8.250 nan 0.000 0.442 509 G N 0.738 109.579 108.800 0.068 0.000 3.605 509 G HA2 0.042 4.009 3.960 0.011 0.000 0.277 509 G HA3 0.042 4.009 3.960 0.011 0.000 0.277 509 G C 0.055 174.983 174.900 0.046 0.000 1.093 509 G CA -0.264 44.867 45.100 0.052 0.000 0.821 509 G HN 0.238 nan 8.290 nan 0.000 0.532 510 S N -0.990 114.740 115.700 0.049 0.000 2.661 510 S HA 0.477 4.953 4.470 0.011 0.000 0.265 510 S C 1.250 175.869 174.600 0.031 0.000 1.225 510 S CA 0.265 58.488 58.200 0.038 0.000 0.986 510 S CB 1.760 64.984 63.200 0.041 0.000 1.008 510 S HN 0.007 nan 8.310 nan 0.000 0.565 511 S N -0.826 114.888 115.700 0.023 0.000 2.502 511 S HA 0.132 4.608 4.470 0.011 0.000 0.228 511 S C 0.722 175.334 174.600 0.019 0.000 1.061 511 S CA 0.078 58.290 58.200 0.020 0.000 0.935 511 S CB -0.345 62.864 63.200 0.016 0.000 0.809 511 S HN 0.724 nan 8.310 nan 0.000 0.510 512 V N 2.574 122.497 119.914 0.016 0.000 2.752 512 V HA 0.442 4.569 4.120 0.011 0.000 0.306 512 V C 0.534 176.637 176.094 0.016 0.000 1.099 512 V CA 1.559 63.868 62.300 0.014 0.000 1.240 512 V CB -0.402 31.427 31.823 0.009 0.000 0.887 512 V HN 0.839 nan 8.190 nan 0.000 0.499 513 G N 4.001 112.813 108.800 0.019 0.000 2.541 513 G HA2 0.052 4.018 3.960 0.011 0.000 0.686 513 G HA3 0.052 4.018 3.960 0.011 0.000 0.686 513 G C -0.291 174.628 174.900 0.031 0.000 1.286 513 G CA -0.201 44.913 45.100 0.024 0.000 0.894 513 G HN 2.007 nan 8.290 nan 0.000 0.575 514 T N -1.838 112.740 114.554 0.040 0.000 2.869 514 T HA 0.496 4.853 4.350 0.011 0.000 0.295 514 T C 0.756 175.477 174.700 0.035 0.000 0.987 514 T CA 0.770 62.895 62.100 0.042 0.000 1.109 514 T CB 0.806 69.706 68.868 0.054 0.000 0.932 514 T HN 1.807 nan 8.240 nan 0.000 0.518 515 N N 1.742 120.460 118.700 0.030 0.000 2.727 515 N HA -0.191 4.555 4.740 0.011 0.000 0.249 515 N C 1.081 176.605 175.510 0.024 0.000 1.048 515 N CA 1.129 54.194 53.050 0.026 0.000 0.714 515 N CB -1.454 37.049 38.487 0.026 0.000 0.959 515 N HN 1.408 nan 8.380 nan 0.000 0.544 516 G N -1.740 107.075 108.800 0.024 0.000 2.234 516 G HA2 -0.376 3.590 3.960 0.011 0.000 0.260 516 G HA3 -0.376 3.590 3.960 0.011 0.000 0.260 516 G C 0.293 175.209 174.900 0.026 0.000 0.987 516 G CA 0.642 45.756 45.100 0.023 0.000 0.625 516 G HN 1.292 nan 8.290 nan 0.000 0.532 517 S N 0.358 116.076 115.700 0.029 0.000 2.592 517 S HA 0.536 5.013 4.470 0.011 0.000 0.271 517 S C 1.510 176.130 174.600 0.032 0.000 1.326 517 S CA 0.850 59.070 58.200 0.033 0.000 1.024 517 S CB 1.607 64.830 63.200 0.038 0.000 0.921 517 S HN 1.628 nan 8.310 nan 0.000 0.527 518 S N 0.982 116.703 115.700 0.036 0.000 2.727 518 S HA 0.104 4.581 4.470 0.011 0.000 0.226 518 S C 0.203 174.818 174.600 0.025 0.000 0.963 518 S CA -0.401 57.820 58.200 0.036 0.000 0.950 518 S CB -0.881 62.348 63.200 0.049 0.000 0.779 518 S HN 0.620 nan 8.310 nan 0.000 0.532 519 V N 2.241 122.168 119.914 0.022 0.000 2.357 519 V HA 0.356 4.482 4.120 0.011 0.000 0.284 519 V C 0.656 176.746 176.094 -0.006 0.000 1.018 519 V CA -0.670 61.631 62.300 0.002 0.000 0.841 519 V CB 1.188 33.029 31.823 0.029 0.000 0.991 519 V HN 0.220 nan 8.190 nan 0.000 0.437 520 L N 4.999 126.180 121.223 -0.071 0.000 2.095 520 L HA 0.257 4.603 4.340 0.011 0.000 0.204 520 L C 0.373 177.288 176.870 0.076 0.000 1.080 520 L CA 1.646 56.465 54.840 -0.033 0.000 0.759 520 L CB -0.385 41.611 42.059 -0.105 0.000 0.914 520 L HN 0.768 nan 8.230 nan 0.000 0.439 521 F N -3.401 116.565 119.950 0.027 0.000 2.693 521 F HA 0.633 5.166 4.527 0.011 0.000 0.309 521 F C -0.947 174.871 175.800 0.031 0.000 1.129 521 F CA -1.750 56.264 58.000 0.022 0.000 0.948 521 F CB 1.199 40.201 39.000 0.003 0.000 1.315 521 F HN -0.231 nan 8.300 nan 0.000 0.447 522 N N 1.166 120.078 118.700 0.354 0.000 2.747 522 N HA 0.389 5.135 4.740 0.011 0.000 0.262 522 N C -1.832 173.808 175.510 0.217 0.000 1.261 522 N CA -0.092 53.111 53.050 0.256 0.000 0.809 522 N CB 1.648 40.235 38.487 0.165 0.000 1.450 522 N HN 1.037 nan 8.380 nan 0.000 0.560 523 T N -0.337 114.340 114.554 0.206 0.000 2.916 523 T HA 0.499 4.855 4.350 0.011 0.000 0.292 523 T C 0.019 174.834 174.700 0.193 0.000 1.055 523 T CA -0.823 61.377 62.100 0.167 0.000 1.009 523 T CB 1.122 70.040 68.868 0.082 0.000 1.118 523 T HN 0.249 nan 8.240 nan 0.000 0.497 524 F N 1.767 121.771 119.950 0.090 0.000 2.572 524 F HA 0.450 4.983 4.527 0.010 0.000 0.370 524 F C 0.553 176.411 175.800 0.098 0.000 1.103 524 F CA -0.532 57.529 58.000 0.102 0.000 1.286 524 F CB 0.212 39.243 39.000 0.053 0.000 1.105 524 F HN 0.765 nan 8.300 nan 0.000 0.583 525 A N 5.551 127.969 122.820 -0.670 0.000 2.911 525 A HA 0.623 4.949 4.320 0.011 0.000 0.304 525 A C 0.768 177.990 177.584 -0.603 0.000 1.144 525 A CA 0.106 51.823 52.037 -0.534 0.000 0.988 525 A CB -1.022 17.864 19.000 -0.190 0.000 1.141 525 A HN 2.000 nan 8.150 nan 0.000 0.552 526 G N -0.230 107.742 108.800 -1.380 0.000 2.593 526 G HA2 0.071 4.037 3.960 0.011 0.000 0.237 526 G HA3 0.071 4.037 3.960 0.011 0.000 0.237 526 G C -0.364 174.735 174.900 0.331 0.000 1.312 526 G CA 0.398 45.317 45.100 -0.303 0.000 0.896 526 G HN 2.161 nan 8.290 nan 0.000 0.574 527 Y N -2.920 117.620 120.300 0.399 0.000 2.677 527 Y HA 0.790 5.346 4.550 0.010 0.000 0.334 527 Y C -0.432 175.630 175.900 0.269 0.000 1.196 527 Y CA -0.195 58.101 58.100 0.326 0.000 1.059 527 Y CB 1.223 39.900 38.460 0.363 0.000 1.315 527 Y HN 1.423 nan 8.280 nan 0.000 0.455 528 T N 1.227 115.791 114.554 0.016 0.000 2.896 528 T HA 0.764 5.121 4.350 0.011 0.000 0.297 528 T C -2.158 172.625 174.700 0.138 0.000 1.108 528 T CA -0.534 61.538 62.100 -0.047 0.000 1.004 528 T CB 1.599 70.494 68.868 0.044 0.000 1.159 528 T HN 0.795 nan 8.240 nan 0.000 0.499 529 V N 3.618 123.575 119.914 0.072 0.000 2.638 529 V HA 0.651 4.778 4.120 0.011 0.000 0.306 529 V C -0.445 175.617 176.094 -0.054 0.000 1.052 529 V CA -0.881 61.455 62.300 0.061 0.000 0.885 529 V CB 1.977 33.866 31.823 0.110 0.000 0.999 529 V HN 0.820 nan 8.190 nan 0.000 0.424 530 R N 2.191 122.655 120.500 -0.060 0.000 2.534 530 R HA 0.800 5.146 4.340 0.011 0.000 0.301 530 R C -0.867 175.394 176.300 -0.066 0.000 0.961 530 R CA -0.366 55.666 56.100 -0.114 0.000 0.871 530 R CB 2.264 32.482 30.300 -0.137 0.000 1.170 530 R HN 0.765 nan 8.270 nan 0.000 0.446 531 S N 1.597 117.253 115.700 -0.073 0.000 2.634 531 S HA 0.636 5.113 4.470 0.011 0.000 0.296 531 S C -1.085 173.480 174.600 -0.059 0.000 1.104 531 S CA -0.922 57.246 58.200 -0.052 0.000 0.920 531 S CB 2.415 65.592 63.200 -0.038 0.000 1.111 531 S HN 0.494 nan 8.310 nan 0.000 0.493 532 K N 0.567 120.936 120.400 -0.051 0.000 2.587 532 K HA 0.408 4.734 4.320 0.011 0.000 0.276 532 K C -3.328 173.247 176.600 -0.043 0.000 0.956 532 K CA -1.872 54.386 56.287 -0.048 0.000 0.857 532 K CB 1.727 34.197 32.500 -0.050 0.000 1.431 532 K HN 0.238 nan 8.250 nan 0.000 0.420 533 P HA 0.058 nan 4.420 nan 0.000 0.268 533 P C -0.288 176.994 177.300 -0.030 0.000 1.204 533 P CA 0.120 63.201 63.100 -0.032 0.000 0.768 533 P CB 1.085 32.770 31.700 -0.024 0.000 0.842 534 A N 4.240 127.042 122.820 -0.030 0.000 1.877 534 A HA -0.200 4.127 4.320 0.011 0.000 0.216 534 A C 1.613 179.191 177.584 -0.011 0.000 1.186 534 A CA 1.961 53.985 52.037 -0.021 0.000 0.620 534 A CB -1.288 17.700 19.000 -0.021 0.000 0.822 534 A HN 0.610 nan 8.150 nan 0.000 0.443 535 D N 0.536 120.930 120.400 -0.011 0.000 2.392 535 D HA 0.200 4.846 4.640 0.011 0.000 0.228 535 D C 0.791 177.086 176.300 -0.007 0.000 1.003 535 D CA 0.676 54.673 54.000 -0.006 0.000 0.917 535 D CB -0.720 40.077 40.800 -0.005 0.000 0.890 535 D HN 0.451 nan 8.370 nan 0.000 0.532 536 A N 0.248 123.061 122.820 -0.012 0.000 2.386 536 A HA 0.268 4.595 4.320 0.011 0.000 0.246 536 A C 0.094 177.671 177.584 -0.013 0.000 1.089 536 A CA -0.398 51.630 52.037 -0.014 0.000 0.790 536 A CB 0.255 19.243 19.000 -0.020 0.000 1.042 536 A HN 0.043 nan 8.150 nan 0.000 0.497 537 D N 0.581 120.974 120.400 -0.013 0.000 2.358 537 D HA 0.259 4.905 4.640 0.011 0.000 0.244 537 D C -0.224 176.066 176.300 -0.017 0.000 1.163 537 D CA -0.060 53.932 54.000 -0.012 0.000 0.945 537 D CB 0.313 41.107 40.800 -0.011 0.000 1.152 537 D HN 0.454 nan 8.370 nan 0.000 0.451 538 D N 0.281 120.671 120.400 -0.016 0.000 2.506 538 D HA 0.351 4.997 4.640 0.011 0.000 0.234 538 D C 1.182 177.467 176.300 -0.026 0.000 1.143 538 D CA 0.777 54.764 54.000 -0.022 0.000 0.871 538 D CB 0.478 41.266 40.800 -0.020 0.000 1.190 538 D HN 0.556 nan 8.370 nan 0.000 0.459 539 G N 0.455 109.235 108.800 -0.034 0.000 2.627 539 G HA2 0.136 4.103 3.960 0.011 0.000 0.214 539 G HA3 0.136 4.103 3.960 0.011 0.000 0.214 539 G C 0.236 175.118 174.900 -0.030 0.000 1.331 539 G CA -0.360 44.719 45.100 -0.035 0.000 0.891 539 G HN 0.762 nan 8.290 nan 0.000 0.539 540 G N -2.074 106.714 108.800 -0.019 0.000 2.543 540 G HA2 0.616 4.583 3.960 0.011 0.000 0.267 540 G HA3 0.616 4.583 3.960 0.011 0.000 0.267 540 G C 1.413 176.315 174.900 0.003 0.000 1.406 540 G CA 0.817 45.915 45.100 -0.003 0.000 1.048 540 G HN 1.447 nan 8.290 nan 0.000 0.548 541 V N 0.439 120.368 119.914 0.026 0.000 2.343 541 V HA -0.155 3.971 4.120 0.011 0.000 0.247 541 V C 2.972 179.113 176.094 0.078 0.000 1.051 541 V CA 1.506 63.818 62.300 0.020 0.000 1.036 541 V CB -0.530 31.275 31.823 -0.031 0.000 0.654 541 V HN 0.461 nan 8.190 nan 0.000 0.451 542 M N 0.215 119.890 119.600 0.126 0.000 2.117 542 M HA -0.099 4.387 4.480 0.011 0.000 0.262 542 M C 2.428 178.746 176.300 0.030 0.000 1.065 542 M CA 2.122 57.465 55.300 0.072 0.000 1.114 542 M CB -1.549 31.074 32.600 0.039 0.000 1.361 542 M HN 0.407 nan 8.290 nan 0.000 0.408 543 A N -0.397 122.434 122.820 0.019 0.000 2.076 543 A HA 0.121 4.448 4.320 0.011 0.000 0.220 543 A C 1.820 179.403 177.584 -0.002 0.000 1.160 543 A CA 1.732 53.771 52.037 0.003 0.000 0.653 543 A CB -0.994 18.003 19.000 -0.005 0.000 0.801 543 A HN 0.726 nan 8.150 nan 0.000 0.455 544 G N -2.971 105.829 108.800 0.000 0.000 2.131 544 G HA2 -0.211 3.756 3.960 0.011 0.000 0.223 544 G HA3 -0.211 3.756 3.960 0.011 0.000 0.223 544 G C 0.631 175.522 174.900 -0.015 0.000 0.990 544 G CA 0.513 45.609 45.100 -0.007 0.000 0.671 544 G HN 0.999 nan 8.290 nan 0.000 0.521 545 V N -1.241 118.662 119.914 -0.019 0.000 3.523 545 V HA 0.685 4.811 4.120 0.011 0.000 0.255 545 V C 1.467 177.540 176.094 -0.035 0.000 1.226 545 V CA 1.295 63.580 62.300 -0.024 0.000 1.092 545 V CB 0.248 32.058 31.823 -0.023 0.000 0.817 545 V HN 1.261 nan 8.190 nan 0.000 0.458 546 A N 0.189 122.981 122.820 -0.045 0.000 2.322 546 A HA 0.944 5.270 4.320 0.011 0.000 0.327 546 A C -0.232 177.296 177.584 -0.094 0.000 1.134 546 A CA 0.068 52.064 52.037 -0.068 0.000 0.831 546 A CB 1.436 20.390 19.000 -0.078 0.000 1.288 546 A HN 0.546 nan 8.150 nan 0.000 0.472 547 A N 0.090 122.843 122.820 -0.111 0.000 2.386 547 A HA 0.752 5.078 4.320 0.011 0.000 0.308 547 A C -0.548 176.918 177.584 -0.197 0.000 1.128 547 A CA -0.571 51.383 52.037 -0.138 0.000 0.789 547 A CB 0.682 19.628 19.000 -0.090 0.000 1.325 547 A HN 0.796 nan 8.150 nan 0.000 0.437 548 L N 0.673 121.743 121.223 -0.255 0.000 2.439 548 L HA 0.535 4.881 4.340 0.011 0.000 0.259 548 L C 0.111 176.877 176.870 -0.173 0.000 1.129 548 L CA -0.147 54.513 54.840 -0.300 0.000 0.803 548 L CB 0.945 42.773 42.059 -0.386 0.000 1.161 548 L HN 0.848 nan 8.230 nan 0.000 0.462 549 D N -1.070 119.250 120.400 -0.132 0.000 2.851 549 D HA 0.465 5.112 4.640 0.011 0.000 0.339 549 D C -1.767 174.550 176.300 0.027 0.000 1.347 549 D CA -0.254 53.751 54.000 0.008 0.000 0.888 549 D CB 2.123 42.937 40.800 0.023 0.000 1.431 549 D HN 0.375 nan 8.370 nan 0.000 0.509 550 S N 0.470 116.260 115.700 0.150 0.000 2.535 550 S HA 0.566 5.043 4.470 0.011 0.000 0.272 550 S C -1.692 172.987 174.600 0.132 0.000 1.149 550 S CA -0.720 57.600 58.200 0.200 0.000 0.888 550 S CB 0.641 63.955 63.200 0.190 0.000 1.110 550 S HN 0.304 nan 8.310 nan 0.000 0.463 551 L N 2.863 124.137 121.223 0.086 0.000 2.418 551 L HA 0.784 5.131 4.340 0.011 0.000 0.265 551 L C 0.630 177.380 176.870 -0.200 0.000 1.143 551 L CA 0.047 54.734 54.840 -0.254 0.000 0.809 551 L CB 0.991 42.573 42.059 -0.795 0.000 1.124 551 L HN 0.931 nan 8.230 nan 0.000 0.456 552 A N 2.921 125.604 122.820 -0.229 0.000 2.353 552 A HA 0.661 4.987 4.320 0.011 0.000 0.299 552 A C -0.980 176.521 177.584 -0.138 0.000 1.089 552 A CA -0.491 51.457 52.037 -0.147 0.000 0.736 552 A CB 1.219 20.126 19.000 -0.156 0.000 1.195 552 A HN 0.353 nan 8.150 nan 0.000 0.447 553 V N 3.492 123.346 119.914 -0.100 0.000 2.383 553 V HA 0.438 4.565 4.120 0.011 0.000 0.275 553 V C -0.013 176.087 176.094 0.010 0.000 1.036 553 V CA -0.299 61.956 62.300 -0.074 0.000 0.889 553 V CB 1.374 33.183 31.823 -0.023 0.000 0.985 553 V HN 0.822 nan 8.190 nan 0.000 0.459 554 V N 4.854 124.780 119.914 0.020 0.000 2.378 554 V HA 0.549 4.676 4.120 0.011 0.000 0.288 554 V C -2.275 173.847 176.094 0.046 0.000 1.016 554 V CA -2.381 59.946 62.300 0.044 0.000 0.840 554 V CB 0.973 32.826 31.823 0.050 0.000 0.994 554 V HN 0.613 nan 8.190 nan 0.000 0.431 555 P HA 0.000 nan 4.420 nan 0.000 0.216 555 P CA 0.000 63.124 63.100 0.039 0.000 0.800 555 P CB 0.000 31.722 31.700 0.036 0.000 0.726