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 2xwh_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL ITPCSPEEEK LPINPLSNSL LRYHNKVYCT TTKSASLRAK DATA SEQUENCE KVTFDRMQVL DSYYDSVLKD IKLAASKVTA RLLTMEEACQ LTPPHSARSK DATA SEQUENCE YGFGAKEVRS LSGRAVNHIK SVWKDLLEDS ETPIPTTIMA KNEVFCVDPT DATA SEQUENCE XXGKKAARLI VYPDLGVRVC EKMALYDITQ KLPQAVMGAS YGFQYSPAQR DATA SEQUENCE VEFLLKAWAE KKDPMGFSYD TRCFDSTVTE RDIRTEESIY RACSLPEEAH DATA SEQUENCE TAIHSLTERL YVGGPMFNSK GQTCGYRRCR ASGVLTTSMG NTITCYVKAL DATA SEQUENCE AACKAAGIIA PTMLVCGDDL VVISESQGTE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDPPRPEYDL ELITSCSSNV SVALGPQGRR RYYLTRDPTT PIARAAWETV DATA SEQUENCE RHSPVNSWLG NIIQYAPTIW ARMVLMTHFF SILMAQDTLD QNLNFEMYGA DATA SEQUENCE VYSVSPLDLP AIIERLHGLD AFSLHTYTPH ELTRVASALR KLGAPPLRAW DATA SEQUENCE KSRARAVRAS LISRGGRAAV CGRYLFNWAV KTKLKLTPLP EARLLDLSSW DATA SEQUENCE FTVGAGGGDI YHS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.566 174.600 -0.056 0.000 1.055 1 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 1 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 2 M N 3.087 122.650 119.600 -0.062 0.000 2.233 2 M HA 0.293 4.773 4.480 0.001 0.000 0.350 2 M C 1.923 178.109 176.300 -0.190 0.000 1.176 2 M CA -0.084 55.166 55.300 -0.084 0.000 1.150 2 M CB 0.714 33.294 32.600 -0.033 0.000 1.530 2 M HN 1.068 nan 8.290 nan 0.000 0.459 3 S N 2.597 118.108 115.700 -0.315 0.000 2.370 3 S HA -0.098 4.372 4.470 0.001 0.000 0.226 3 S C 0.152 174.336 174.600 -0.693 0.000 1.033 3 S CA 1.020 58.895 58.200 -0.541 0.000 1.011 3 S CB -0.231 62.547 63.200 -0.703 0.000 0.852 3 S HN 0.641 nan 8.310 nan 0.000 0.457 4 Y N 0.794 120.968 120.300 -0.211 0.000 2.581 4 Y HA 0.621 5.171 4.550 0.001 0.000 0.345 4 Y C -0.059 175.604 175.900 -0.396 0.000 1.036 4 Y CA -0.880 56.995 58.100 -0.376 0.000 1.042 4 Y CB 2.037 40.174 38.460 -0.538 0.000 1.289 4 Y HN 0.249 nan 8.280 nan 0.000 0.471 5 S N -0.220 115.249 115.700 -0.385 0.000 2.566 5 S HA 0.806 5.276 4.470 0.001 0.000 0.298 5 S C -1.734 172.492 174.600 -0.623 0.000 1.083 5 S CA -0.804 57.207 58.200 -0.314 0.000 0.978 5 S CB 1.452 64.579 63.200 -0.122 0.000 1.073 5 S HN 0.582 nan 8.310 nan 0.000 0.491 6 W N 0.274 121.601 121.300 0.045 0.000 2.819 6 W HA 0.486 5.146 4.660 0.001 0.000 0.337 6 W C 1.274 177.794 176.519 0.002 0.000 1.077 6 W CA -0.456 56.898 57.345 0.014 0.000 1.226 6 W CB 1.996 31.456 29.460 -0.001 0.000 1.419 6 W HN 0.882 nan 8.180 nan 0.000 0.502 7 T N -2.172 112.510 114.554 0.213 0.000 3.035 7 T HA 0.303 4.653 4.350 0.001 0.000 0.259 7 T C 1.460 176.228 174.700 0.114 0.000 1.078 7 T CA 1.077 63.245 62.100 0.114 0.000 1.132 7 T CB -0.056 68.848 68.868 0.060 0.000 0.900 7 T HN 1.296 nan 8.240 nan 0.000 0.480 8 G N 1.158 110.045 108.800 0.144 0.000 2.231 8 G HA2 0.055 4.016 3.960 0.001 0.000 0.206 8 G HA3 0.055 4.016 3.960 0.001 0.000 0.206 8 G C 0.355 175.290 174.900 0.058 0.000 0.996 8 G CA -0.119 45.030 45.100 0.082 0.000 0.645 8 G HN 1.081 nan 8.290 nan 0.000 0.498 9 A N 0.660 123.525 122.820 0.075 0.000 2.425 9 A HA 0.663 4.983 4.320 0.001 0.000 0.242 9 A C 0.795 178.411 177.584 0.053 0.000 1.077 9 A CA 0.187 52.260 52.037 0.060 0.000 0.781 9 A CB 0.228 19.268 19.000 0.066 0.000 1.020 9 A HN 0.873 nan 8.150 nan 0.000 0.494 10 L N 1.213 122.457 121.223 0.035 0.000 2.436 10 L HA 0.259 4.599 4.340 0.001 0.000 0.265 10 L C -0.017 176.872 176.870 0.031 0.000 1.168 10 L CA -0.230 54.618 54.840 0.015 0.000 0.815 10 L CB 0.677 42.742 42.059 0.010 0.000 1.109 10 L HN 0.555 nan 8.230 nan 0.000 0.462 11 I N 1.706 122.281 120.570 0.008 0.000 2.347 11 I HA 0.076 4.247 4.170 0.001 0.000 0.294 11 I C 0.460 176.596 176.117 0.032 0.000 1.090 11 I CA -0.027 61.290 61.300 0.029 0.000 1.314 11 I CB 0.579 38.580 38.000 0.001 0.000 1.423 11 I HN 0.638 nan 8.210 nan 0.000 0.503 12 T N 4.938 119.521 114.554 0.048 0.000 2.929 12 T HA 0.560 4.910 4.350 0.001 0.000 0.284 12 T C -2.432 172.301 174.700 0.055 0.000 1.014 12 T CA -2.074 60.054 62.100 0.047 0.000 1.051 12 T CB 1.609 70.505 68.868 0.047 0.000 1.028 12 T HN 0.231 nan 8.240 nan 0.000 0.485 13 P HA 0.234 nan 4.420 nan 0.000 0.276 13 P C 0.868 178.205 177.300 0.061 0.000 1.244 13 P CA -0.737 62.399 63.100 0.060 0.000 0.801 13 P CB 0.724 32.459 31.700 0.057 0.000 1.006 14 C N -0.341 119.000 119.300 0.068 0.000 2.684 14 C HA 0.219 4.679 4.460 0.001 0.000 0.283 14 C C 1.267 176.292 174.990 0.058 0.000 1.346 14 C CA 0.485 59.541 59.018 0.063 0.000 1.707 14 C CB -1.015 26.769 27.740 0.074 0.000 2.137 14 C HN 0.495 nan 8.230 nan 0.000 0.544 15 S N 0.710 116.448 115.700 0.064 0.000 2.738 15 S HA 0.675 5.145 4.470 0.001 0.000 0.284 15 S C -1.784 172.858 174.600 0.070 0.000 1.146 15 S CA 0.212 58.452 58.200 0.066 0.000 0.997 15 S CB 0.039 63.283 63.200 0.074 0.000 1.081 15 S HN 0.713 nan 8.310 nan 0.000 0.553 16 P HA 0.338 nan 4.420 nan 0.000 0.268 16 P C -0.710 176.651 177.300 0.101 0.000 1.204 16 P CA 0.235 63.383 63.100 0.079 0.000 0.768 16 P CB 0.087 31.832 31.700 0.074 0.000 0.842 17 E N 1.350 121.612 120.200 0.103 0.000 2.202 17 E HA 0.403 4.753 4.350 0.001 0.000 0.272 17 E C -0.559 176.136 176.600 0.160 0.000 0.951 17 E CA -0.269 56.209 56.400 0.129 0.000 0.813 17 E CB 2.136 31.898 29.700 0.105 0.000 1.151 17 E HN 0.563 nan 8.360 nan 0.000 0.398 18 E N 1.217 121.561 120.200 0.239 0.000 2.222 18 E HA 0.144 4.495 4.350 0.001 0.000 0.267 18 E C -0.244 176.576 176.600 0.366 0.000 0.884 18 E CA -0.246 56.330 56.400 0.293 0.000 0.764 18 E CB 1.741 31.656 29.700 0.358 0.000 1.169 18 E HN 0.490 nan 8.360 nan 0.000 0.413 19 E N 1.612 121.992 120.200 0.300 0.000 2.364 19 E HA 0.001 4.352 4.350 0.001 0.000 0.196 19 E C -0.044 176.790 176.600 0.389 0.000 0.990 19 E CA 0.479 57.051 56.400 0.287 0.000 0.886 19 E CB 0.418 30.235 29.700 0.195 0.000 0.866 19 E HN 0.286 nan 8.360 nan 0.000 0.493 20 K N 0.675 121.320 120.400 0.408 0.000 2.375 20 K HA 0.380 4.701 4.320 0.001 0.000 0.249 20 K C -0.767 176.047 176.600 0.356 0.000 0.942 20 K CA -0.991 55.535 56.287 0.398 0.000 0.806 20 K CB 1.917 34.572 32.500 0.258 0.000 1.227 20 K HN -0.163 nan 8.250 nan 0.000 0.430 21 L N 3.076 124.524 121.223 0.375 0.000 2.499 21 L HA 0.180 4.521 4.340 0.001 0.000 0.273 21 L C -2.356 174.483 176.870 -0.051 0.000 1.195 21 L CA -0.844 54.046 54.840 0.083 0.000 0.882 21 L CB -0.184 42.019 42.059 0.240 0.000 1.133 21 L HN 0.589 nan 8.230 nan 0.000 0.483 22 P HA 0.127 nan 4.420 nan 0.000 0.270 22 P C -0.737 176.425 177.300 -0.230 0.000 1.223 22 P CA 0.085 63.059 63.100 -0.209 0.000 0.785 22 P CB 0.360 31.909 31.700 -0.251 0.000 0.923 23 I N 2.584 122.984 120.570 -0.284 0.000 2.322 23 I HA 0.247 4.417 4.170 0.001 0.000 0.292 23 I C 0.585 176.589 176.117 -0.190 0.000 1.060 23 I CA 0.186 61.270 61.300 -0.360 0.000 1.309 23 I CB -0.126 37.627 38.000 -0.412 0.000 1.415 23 I HN 0.293 nan 8.210 nan 0.000 0.492 24 N N 8.380 126.994 118.700 -0.142 0.000 2.406 24 N HA 0.297 5.037 4.740 0.001 0.000 0.283 24 N C -2.414 173.062 175.510 -0.058 0.000 1.074 24 N CA -1.550 51.445 53.050 -0.092 0.000 0.916 24 N CB 2.982 41.412 38.487 -0.096 0.000 1.639 24 N HN 0.018 nan 8.380 nan 0.000 0.485 25 P HA -0.032 nan 4.420 nan 0.000 0.218 25 P C 1.544 178.834 177.300 -0.016 0.000 1.148 25 P CA 0.968 64.050 63.100 -0.030 0.000 0.822 25 P CB 0.561 32.243 31.700 -0.030 0.000 0.784 26 L N -0.633 120.581 121.223 -0.016 0.000 2.044 26 L HA -0.130 4.210 4.340 0.001 0.000 0.205 26 L C 2.541 179.445 176.870 0.055 0.000 1.075 26 L CA 2.057 56.901 54.840 0.007 0.000 0.747 26 L CB -1.158 40.893 42.059 -0.014 0.000 0.903 26 L HN 0.098 nan 8.230 nan 0.000 0.435 27 S N -0.870 114.840 115.700 0.018 0.000 2.387 27 S HA -0.193 4.278 4.470 0.001 0.000 0.226 27 S C 1.751 176.359 174.600 0.013 0.000 1.026 27 S CA 1.125 59.333 58.200 0.014 0.000 0.972 27 S CB -0.700 62.493 63.200 -0.012 0.000 0.814 27 S HN 0.434 nan 8.310 nan 0.000 0.477 28 N N 2.014 120.718 118.700 0.008 0.000 2.272 28 N HA -0.147 4.593 4.740 0.001 0.000 0.185 28 N C 1.720 177.229 175.510 -0.002 0.000 1.014 28 N CA 1.584 54.641 53.050 0.011 0.000 0.870 28 N CB -0.230 38.259 38.487 0.003 0.000 0.975 28 N HN 0.677 nan 8.380 nan 0.000 0.433 29 S N 0.007 115.715 115.700 0.014 0.000 2.453 29 S HA -0.085 4.385 4.470 0.001 0.000 0.231 29 S C 1.873 176.497 174.600 0.040 0.000 1.005 29 S CA 0.286 58.489 58.200 0.004 0.000 0.949 29 S CB -0.099 63.122 63.200 0.036 0.000 0.774 29 S HN 0.253 nan 8.310 nan 0.000 0.510 30 L N 0.914 122.170 121.223 0.055 0.000 2.145 30 L HA 0.495 4.835 4.340 0.001 0.000 0.201 30 L C -0.011 176.906 176.870 0.078 0.000 1.075 30 L CA 0.941 55.821 54.840 0.066 0.000 0.773 30 L CB -0.273 41.580 42.059 -0.342 0.000 0.936 30 L HN 0.590 nan 8.230 nan 0.000 0.451 31 L N -4.147 117.079 121.223 0.004 0.000 2.482 31 L HA 0.534 4.875 4.340 0.001 0.000 0.263 31 L C 0.328 177.172 176.870 -0.042 0.000 0.957 31 L CA -0.463 54.359 54.840 -0.031 0.000 0.836 31 L CB 1.745 43.799 42.059 -0.009 0.000 1.324 31 L HN -0.099 nan 8.230 nan 0.000 0.406 32 R N 0.805 121.206 120.500 -0.166 0.000 2.210 32 R HA 0.199 4.540 4.340 0.001 0.000 0.203 32 R C -0.309 176.023 176.300 0.053 0.000 1.010 32 R CA 0.514 56.556 56.100 -0.096 0.000 1.008 32 R CB 0.033 30.213 30.300 -0.199 0.000 0.923 32 R HN 0.563 nan 8.270 nan 0.000 0.469 33 Y N 2.727 123.046 120.300 0.032 0.000 2.736 33 Y HA 0.058 4.608 4.550 0.001 0.000 0.339 33 Y C 1.513 177.378 175.900 -0.058 0.000 1.301 33 Y CA -1.218 56.846 58.100 -0.059 0.000 1.676 33 Y CB -1.098 37.341 38.460 -0.035 0.000 1.725 33 Y HN 0.174 nan 8.280 nan 0.000 0.466 34 H N -1.019 118.164 119.070 0.189 0.000 2.456 34 H HA -0.139 4.417 4.556 0.001 0.000 0.296 34 H C 0.643 176.071 175.328 0.167 0.000 1.079 34 H CA 1.604 57.739 56.048 0.145 0.000 1.322 34 H CB -0.259 29.560 29.762 0.094 0.000 1.388 34 H HN 0.412 nan 8.280 nan 0.000 0.538 35 N N 0.905 119.488 118.700 -0.196 0.000 2.443 35 N HA -0.069 4.672 4.740 0.001 0.000 0.184 35 N C 1.507 177.074 175.510 0.095 0.000 1.037 35 N CA 0.747 53.789 53.050 -0.013 0.000 0.896 35 N CB 0.069 38.487 38.487 -0.115 0.000 0.959 35 N HN 0.422 nan 8.380 nan 0.000 0.442 36 K N 0.064 120.537 120.400 0.121 0.000 2.418 36 K HA 0.098 4.419 4.320 0.001 0.000 0.195 36 K C -0.295 176.466 176.600 0.269 0.000 1.035 36 K CA 0.315 56.706 56.287 0.173 0.000 1.003 36 K CB 0.630 33.229 32.500 0.166 0.000 0.793 36 K HN -0.005 nan 8.250 nan 0.000 0.494 37 V N 2.634 122.713 119.914 0.274 0.000 2.394 37 V HA 0.218 4.339 4.120 0.001 0.000 0.282 37 V C -0.647 175.670 176.094 0.373 0.000 1.031 37 V CA -0.847 61.619 62.300 0.277 0.000 0.881 37 V CB 0.304 32.281 31.823 0.257 0.000 0.982 37 V HN 0.153 nan 8.190 nan 0.000 0.451 38 Y N 2.694 123.112 120.300 0.195 0.000 2.605 38 Y HA 0.831 5.381 4.550 0.001 0.000 0.343 38 Y C -0.554 175.362 175.900 0.027 0.000 1.036 38 Y CA -1.656 56.550 58.100 0.176 0.000 1.065 38 Y CB 1.424 39.970 38.460 0.143 0.000 1.288 38 Y HN 0.573 nan 8.280 nan 0.000 0.481 39 C N 2.957 122.282 119.300 0.043 0.000 2.408 39 C HA 0.707 5.168 4.460 0.001 0.000 0.321 39 C C 0.259 175.297 174.990 0.080 0.000 1.245 39 C CA 0.039 58.902 59.018 -0.259 0.000 1.523 39 C CB 0.113 27.470 27.740 -0.639 0.000 2.178 39 C HN 1.090 nan 8.230 nan 0.000 0.488 40 T N 3.314 117.922 114.554 0.090 0.000 2.926 40 T HA 0.564 4.915 4.350 0.001 0.000 0.307 40 T C 0.218 174.972 174.700 0.090 0.000 1.059 40 T CA 0.249 62.457 62.100 0.179 0.000 1.122 40 T CB 0.949 69.942 68.868 0.208 0.000 0.972 40 T HN 1.090 nan 8.240 nan 0.000 0.545 41 T N -2.253 112.360 114.554 0.097 0.000 2.778 41 T HA 0.462 4.812 4.350 0.001 0.000 0.293 41 T C 1.433 176.167 174.700 0.057 0.000 1.144 41 T CA -0.196 61.948 62.100 0.073 0.000 1.010 41 T CB 0.989 69.908 68.868 0.084 0.000 1.325 41 T HN 0.755 nan 8.240 nan 0.000 0.515 42 T N -1.120 113.464 114.554 0.049 0.000 2.946 42 T HA -0.072 4.279 4.350 0.001 0.000 0.271 42 T C 1.511 176.221 174.700 0.017 0.000 1.104 42 T CA 1.023 63.142 62.100 0.031 0.000 1.114 42 T CB -0.629 68.259 68.868 0.033 0.000 0.867 42 T HN 0.683 nan 8.240 nan 0.000 0.513 43 K N 1.503 121.919 120.400 0.027 0.000 2.211 43 K HA -0.063 4.257 4.320 0.001 0.000 0.204 43 K C 2.320 178.919 176.600 -0.002 0.000 1.047 43 K CA 1.639 57.934 56.287 0.015 0.000 0.935 43 K CB -0.174 32.342 32.500 0.027 0.000 0.728 43 K HN 0.666 nan 8.250 nan 0.000 0.452 44 S N -0.929 114.774 115.700 0.004 0.000 2.554 44 S HA 0.273 4.744 4.470 0.001 0.000 0.226 44 S C 1.713 176.294 174.600 -0.032 0.000 0.980 44 S CA 0.101 58.294 58.200 -0.011 0.000 0.939 44 S CB 0.763 63.969 63.200 0.009 0.000 0.832 44 S HN 0.215 nan 8.310 nan 0.000 0.486 45 A N 2.491 125.288 122.820 -0.038 0.000 1.883 45 A HA -0.024 4.296 4.320 0.001 0.000 0.217 45 A C 2.376 179.868 177.584 -0.154 0.000 1.186 45 A CA 1.966 53.961 52.037 -0.070 0.000 0.624 45 A CB -1.283 17.684 19.000 -0.054 0.000 0.822 45 A HN 0.542 nan 8.150 nan 0.000 0.444 46 S N -0.630 114.970 115.700 -0.168 0.000 2.382 46 S HA -0.137 4.333 4.470 0.001 0.000 0.228 46 S C 1.835 176.304 174.600 -0.217 0.000 1.027 46 S CA 1.404 59.455 58.200 -0.248 0.000 0.991 46 S CB -0.393 62.693 63.200 -0.189 0.000 0.823 46 S HN 0.498 nan 8.310 nan 0.000 0.469 47 L N 2.022 123.166 121.223 -0.131 0.000 2.056 47 L HA 0.030 4.370 4.340 0.001 0.000 0.207 47 L C 2.234 179.055 176.870 -0.082 0.000 1.078 47 L CA 1.737 56.521 54.840 -0.092 0.000 0.749 47 L CB -0.657 41.367 42.059 -0.058 0.000 0.901 47 L HN 0.066 nan 8.230 nan 0.000 0.433 48 R N 0.202 120.655 120.500 -0.077 0.000 2.081 48 R HA -0.068 4.272 4.340 0.001 0.000 0.235 48 R C 2.174 178.428 176.300 -0.077 0.000 1.131 48 R CA 1.717 57.791 56.100 -0.044 0.000 0.960 48 R CB -0.962 29.325 30.300 -0.021 0.000 0.856 48 R HN 0.480 nan 8.270 nan 0.000 0.436 49 A N 0.753 123.439 122.820 -0.224 0.000 1.908 49 A HA -0.206 4.115 4.320 0.001 0.000 0.218 49 A C 2.024 179.487 177.584 -0.203 0.000 1.181 49 A CA 1.914 53.714 52.037 -0.395 0.000 0.627 49 A CB -0.478 17.870 19.000 -1.087 0.000 0.818 49 A HN 0.415 nan 8.150 nan 0.000 0.445 50 K N -0.340 119.948 120.400 -0.187 0.000 2.057 50 K HA -0.132 4.189 4.320 0.001 0.000 0.207 50 K C 2.122 178.771 176.600 0.081 0.000 1.049 50 K CA 1.599 57.856 56.287 -0.049 0.000 0.931 50 K CB -0.178 32.284 32.500 -0.064 0.000 0.714 50 K HN 0.413 nan 8.250 nan 0.000 0.440 51 K N 0.640 121.084 120.400 0.073 0.000 2.097 51 K HA -0.114 4.207 4.320 0.001 0.000 0.206 51 K C 1.929 178.701 176.600 0.287 0.000 1.049 51 K CA 1.593 57.965 56.287 0.140 0.000 0.933 51 K CB -0.029 32.526 32.500 0.092 0.000 0.717 51 K HN 0.135 nan 8.250 nan 0.000 0.442 52 V N -1.617 118.465 119.914 0.279 0.000 3.623 52 V HA 0.062 4.183 4.120 0.001 0.000 0.271 52 V C 0.362 176.666 176.094 0.350 0.000 1.248 52 V CA 0.209 62.740 62.300 0.385 0.000 1.156 52 V CB 0.055 32.069 31.823 0.319 0.000 0.870 52 V HN -0.050 nan 8.190 nan 0.000 0.453 53 T N 4.388 119.167 114.554 0.375 0.000 2.753 53 T HA 0.708 5.059 4.350 0.001 0.000 0.297 53 T C -0.738 174.136 174.700 0.291 0.000 0.981 53 T CA -0.027 62.270 62.100 0.329 0.000 0.956 53 T CB 0.182 69.343 68.868 0.488 0.000 0.936 53 T HN 0.625 nan 8.240 nan 0.000 0.463 54 F N 0.026 120.076 119.950 0.167 0.000 2.741 54 F HA 0.673 5.200 4.527 0.001 0.000 0.313 54 F C -1.075 174.759 175.800 0.057 0.000 1.153 54 F CA -1.777 56.281 58.000 0.097 0.000 0.931 54 F CB 0.737 39.783 39.000 0.077 0.000 1.335 54 F HN 0.215 nan 8.300 nan 0.000 0.460 55 D N 0.698 121.282 120.400 0.307 0.000 2.304 55 D HA 0.446 5.086 4.640 0.001 0.000 0.250 55 D C -0.889 175.558 176.300 0.244 0.000 1.107 55 D CA -0.053 54.049 54.000 0.170 0.000 0.885 55 D CB 0.870 41.738 40.800 0.113 0.000 1.192 55 D HN 0.552 nan 8.370 nan 0.000 0.436 56 R N 2.962 123.536 120.500 0.123 0.000 2.255 56 R HA 0.486 4.827 4.340 0.001 0.000 0.326 56 R C -0.505 175.829 176.300 0.057 0.000 0.986 56 R CA -0.201 55.972 56.100 0.123 0.000 0.847 56 R CB 1.196 31.530 30.300 0.056 0.000 1.111 56 R HN 0.449 nan 8.270 nan 0.000 0.452 57 M N 2.373 122.004 119.600 0.053 0.000 2.167 57 M HA 0.309 4.789 4.480 0.001 0.000 0.333 57 M C -0.743 175.563 176.300 0.009 0.000 1.030 57 M CA -0.393 54.920 55.300 0.020 0.000 0.963 57 M CB 2.070 34.679 32.600 0.016 0.000 1.589 57 M HN 0.440 nan 8.290 nan 0.000 0.431 58 Q N 3.344 123.141 119.800 -0.006 0.000 2.330 58 Q HA 0.626 4.967 4.340 0.001 0.000 0.269 58 Q C -1.923 174.063 176.000 -0.023 0.000 1.022 58 Q CA -0.610 55.185 55.803 -0.014 0.000 0.796 58 Q CB 2.004 30.719 28.738 -0.038 0.000 1.271 58 Q HN 0.609 nan 8.270 nan 0.000 0.450 59 V N 5.972 125.884 119.914 -0.003 0.000 2.409 59 V HA 0.374 4.495 4.120 0.001 0.000 0.290 59 V C -0.200 175.923 176.094 0.048 0.000 1.017 59 V CA -0.635 61.666 62.300 0.000 0.000 0.841 59 V CB 1.183 33.006 31.823 0.000 0.000 1.003 59 V HN 0.789 nan 8.190 nan 0.000 0.426 60 L N 4.427 125.628 121.223 -0.036 0.000 2.439 60 L HA 0.726 5.066 4.340 0.001 0.000 0.259 60 L C 0.035 176.952 176.870 0.079 0.000 1.129 60 L CA -0.375 54.419 54.840 -0.078 0.000 0.803 60 L CB 1.348 43.156 42.059 -0.418 0.000 1.161 60 L HN 0.787 nan 8.230 nan 0.000 0.462 61 D N -1.826 118.690 120.400 0.195 0.000 2.867 61 D HA 0.184 4.825 4.640 0.001 0.000 0.308 61 D C 0.493 176.880 176.300 0.146 0.000 1.202 61 D CA -0.093 54.013 54.000 0.176 0.000 1.035 61 D CB 0.610 41.555 40.800 0.241 0.000 1.427 61 D HN 0.371 nan 8.370 nan 0.000 0.570 62 S N -1.519 114.189 115.700 0.013 0.000 2.428 62 S HA -0.124 4.347 4.470 0.001 0.000 0.230 62 S C 1.714 176.257 174.600 -0.096 0.000 1.014 62 S CA 0.520 58.664 58.200 -0.093 0.000 0.957 62 S CB -0.903 62.162 63.200 -0.226 0.000 0.784 62 S HN 0.485 nan 8.310 nan 0.000 0.499 63 Y N 0.614 120.982 120.300 0.113 0.000 2.145 63 Y HA -0.038 4.513 4.550 0.001 0.000 0.286 63 Y C 2.515 178.459 175.900 0.072 0.000 1.145 63 Y CA 1.152 59.312 58.100 0.101 0.000 1.148 63 Y CB -1.162 37.388 38.460 0.150 0.000 0.981 63 Y HN 0.361 nan 8.280 nan 0.000 0.507 64 Y N 1.376 121.749 120.300 0.121 0.000 2.145 64 Y HA -0.264 4.286 4.550 0.001 0.000 0.286 64 Y C 1.981 177.837 175.900 -0.073 0.000 1.145 64 Y CA 1.916 59.947 58.100 -0.116 0.000 1.148 64 Y CB -0.473 37.783 38.460 -0.341 0.000 0.981 64 Y HN 0.098 nan 8.280 nan 0.000 0.507 65 D N -0.766 119.718 120.400 0.140 0.000 2.149 65 D HA -0.204 4.437 4.640 0.001 0.000 0.198 65 D C 2.376 178.643 176.300 -0.056 0.000 0.990 65 D CA 1.598 55.628 54.000 0.051 0.000 0.839 65 D CB -0.555 40.288 40.800 0.072 0.000 0.948 65 D HN 0.387 nan 8.370 nan 0.000 0.460 66 S N -0.135 115.541 115.700 -0.039 0.000 2.387 66 S HA -0.089 4.381 4.470 0.001 0.000 0.226 66 S C 2.133 176.696 174.600 -0.062 0.000 1.026 66 S CA 0.696 58.874 58.200 -0.036 0.000 0.972 66 S CB -0.165 63.030 63.200 -0.007 0.000 0.814 66 S HN 0.036 nan 8.310 nan 0.000 0.477 67 V N 2.093 121.942 119.914 -0.108 0.000 2.295 67 V HA -0.105 4.015 4.120 0.001 0.000 0.246 67 V C 2.472 178.468 176.094 -0.163 0.000 1.049 67 V CA 1.764 63.982 62.300 -0.136 0.000 1.024 67 V CB -0.811 30.888 31.823 -0.208 0.000 0.648 67 V HN 0.505 nan 8.190 nan 0.000 0.447 68 L N 0.524 121.573 121.223 -0.290 0.000 2.042 68 L HA -0.192 4.149 4.340 0.001 0.000 0.210 68 L C 2.420 179.225 176.870 -0.109 0.000 1.076 68 L CA 2.232 56.923 54.840 -0.247 0.000 0.749 68 L CB -0.838 41.016 42.059 -0.342 0.000 0.893 68 L HN 0.300 nan 8.230 nan 0.000 0.432 69 K N -0.769 119.581 120.400 -0.083 0.000 2.032 69 K HA -0.215 4.106 4.320 0.001 0.000 0.209 69 K C 1.768 178.355 176.600 -0.023 0.000 1.048 69 K CA 1.887 58.151 56.287 -0.039 0.000 0.927 69 K CB -0.176 32.307 32.500 -0.028 0.000 0.712 69 K HN 0.365 nan 8.250 nan 0.000 0.441 70 D N 0.725 121.114 120.400 -0.019 0.000 2.104 70 D HA -0.167 4.473 4.640 0.001 0.000 0.194 70 D C 1.950 178.258 176.300 0.014 0.000 0.994 70 D CA 1.250 55.253 54.000 0.006 0.000 0.830 70 D CB -0.188 40.625 40.800 0.021 0.000 0.959 70 D HN 0.287 nan 8.370 nan 0.000 0.452 71 I N 0.779 121.357 120.570 0.013 0.000 2.226 71 I HA -0.259 3.911 4.170 0.001 0.000 0.245 71 I C 2.277 178.394 176.117 0.001 0.000 1.100 71 I CA 1.191 62.504 61.300 0.021 0.000 1.374 71 I CB -0.072 37.945 38.000 0.029 0.000 1.057 71 I HN -0.051 nan 8.210 nan 0.000 0.413 72 K N 0.111 120.505 120.400 -0.010 0.000 2.097 72 K HA -0.195 4.125 4.320 0.001 0.000 0.206 72 K C 2.056 178.659 176.600 0.004 0.000 1.049 72 K CA 1.170 57.455 56.287 -0.004 0.000 0.933 72 K CB -0.250 32.245 32.500 -0.008 0.000 0.717 72 K HN 0.156 nan 8.250 nan 0.000 0.442 73 L N 0.992 122.217 121.223 0.003 0.000 2.056 73 L HA -0.072 4.268 4.340 0.001 0.000 0.207 73 L C 2.149 179.024 176.870 0.008 0.000 1.078 73 L CA 1.658 56.502 54.840 0.007 0.000 0.749 73 L CB -0.594 41.469 42.059 0.007 0.000 0.901 73 L HN 0.084 nan 8.230 nan 0.000 0.433 74 A N -0.498 122.326 122.820 0.006 0.000 1.930 74 A HA -0.026 4.295 4.320 0.001 0.000 0.217 74 A C 2.430 180.011 177.584 -0.004 0.000 1.175 74 A CA 1.502 53.540 52.037 0.001 0.000 0.627 74 A CB -1.052 17.947 19.000 -0.001 0.000 0.815 74 A HN 0.553 nan 8.150 nan 0.000 0.443 75 A N 0.452 123.272 122.820 -0.001 0.000 1.969 75 A HA -0.068 4.253 4.320 0.001 0.000 0.218 75 A C 2.403 179.995 177.584 0.013 0.000 1.169 75 A CA 2.037 54.076 52.037 0.003 0.000 0.635 75 A CB -0.935 18.074 19.000 0.014 0.000 0.810 75 A HN 1.045 nan 8.150 nan 0.000 0.445 76 S N -0.550 115.160 115.700 0.017 0.000 2.469 76 S HA -0.121 4.350 4.470 0.001 0.000 0.238 76 S C 1.524 176.134 174.600 0.017 0.000 0.998 76 S CA 1.559 59.773 58.200 0.023 0.000 0.957 76 S CB -0.225 62.987 63.200 0.021 0.000 0.764 76 S HN 0.433 nan 8.310 nan 0.000 0.514 77 K N 0.808 121.213 120.400 0.009 0.000 2.418 77 K HA 0.306 4.626 4.320 0.001 0.000 0.195 77 K C -0.022 176.579 176.600 0.002 0.000 1.035 77 K CA 0.027 56.317 56.287 0.006 0.000 1.003 77 K CB 0.068 32.569 32.500 0.001 0.000 0.793 77 K HN 0.293 nan 8.250 nan 0.000 0.494 78 V N 1.302 121.216 119.914 0.000 0.000 2.546 78 V HA 0.178 4.299 4.120 0.001 0.000 0.284 78 V C 0.065 176.160 176.094 0.001 0.000 1.050 78 V CA -0.386 61.910 62.300 -0.007 0.000 0.981 78 V CB 1.630 33.442 31.823 -0.018 0.000 0.990 78 V HN 0.065 nan 8.190 nan 0.000 0.474 79 T N 4.322 118.874 114.554 -0.003 0.000 2.792 79 T HA 0.769 5.120 4.350 0.001 0.000 0.280 79 T C -0.169 174.526 174.700 -0.008 0.000 0.990 79 T CA -0.224 61.877 62.100 0.002 0.000 0.960 79 T CB 1.564 70.437 68.868 0.008 0.000 0.939 79 T HN 0.975 nan 8.240 nan 0.000 0.439 80 A N 3.456 126.270 122.820 -0.010 0.000 2.527 80 A HA 0.963 5.283 4.320 0.001 0.000 0.293 80 A C -0.606 176.973 177.584 -0.008 0.000 1.117 80 A CA -1.174 50.852 52.037 -0.018 0.000 0.723 80 A CB 1.606 20.583 19.000 -0.038 0.000 1.313 80 A HN 0.911 nan 8.150 nan 0.000 0.411 81 R N 0.222 120.721 120.500 -0.002 0.000 2.867 81 R HA 0.789 5.130 4.340 0.001 0.000 0.268 81 R C -1.423 174.887 176.300 0.016 0.000 1.014 81 R CA -0.846 55.260 56.100 0.009 0.000 0.946 81 R CB 0.878 31.183 30.300 0.009 0.000 1.208 81 R HN 0.492 nan 8.270 nan 0.000 0.477 82 L N 1.667 122.902 121.223 0.019 0.000 2.456 82 L HA 0.152 4.493 4.340 0.001 0.000 0.272 82 L C -0.081 176.771 176.870 -0.030 0.000 1.189 82 L CA -0.625 54.218 54.840 0.004 0.000 0.846 82 L CB 0.298 42.354 42.059 -0.006 0.000 1.111 82 L HN 0.417 nan 8.230 nan 0.000 0.475 83 L N 1.941 123.136 121.223 -0.047 0.000 2.395 83 L HA 0.252 4.592 4.340 0.001 0.000 0.269 83 L C 0.822 177.603 176.870 -0.148 0.000 1.133 83 L CA 0.224 55.025 54.840 -0.066 0.000 0.812 83 L CB 1.477 43.510 42.059 -0.045 0.000 1.125 83 L HN 0.716 nan 8.230 nan 0.000 0.452 84 T N -0.296 114.180 114.554 -0.130 0.000 2.813 84 T HA 0.121 4.472 4.350 0.001 0.000 0.297 84 T C 1.207 175.793 174.700 -0.190 0.000 1.036 84 T CA -0.352 61.652 62.100 -0.161 0.000 1.044 84 T CB 0.424 69.223 68.868 -0.115 0.000 0.993 84 T HN 0.603 nan 8.240 nan 0.000 0.535 85 M N 1.009 120.484 119.600 -0.209 0.000 2.088 85 M HA -0.140 4.341 4.480 0.001 0.000 0.256 85 M C 1.945 178.157 176.300 -0.147 0.000 1.071 85 M CA 2.038 57.223 55.300 -0.192 0.000 1.097 85 M CB -1.121 31.375 32.600 -0.174 0.000 1.315 85 M HN 0.848 nan 8.290 nan 0.000 0.406 86 E N 0.116 120.241 120.200 -0.125 0.000 2.058 86 E HA -0.205 4.146 4.350 0.001 0.000 0.194 86 E C 2.003 178.535 176.600 -0.113 0.000 0.997 86 E CA 2.057 58.394 56.400 -0.106 0.000 0.801 86 E CB -0.354 29.294 29.700 -0.086 0.000 0.746 86 E HN 0.678 nan 8.360 nan 0.000 0.450 87 E N 0.106 120.235 120.200 -0.119 0.000 2.051 87 E HA -0.199 4.151 4.350 0.001 0.000 0.192 87 E C 2.070 178.561 176.600 -0.181 0.000 0.991 87 E CA 1.042 57.361 56.400 -0.134 0.000 0.799 87 E CB -0.200 29.433 29.700 -0.112 0.000 0.748 87 E HN 0.291 nan 8.360 nan 0.000 0.449 88 A N 0.642 123.359 122.820 -0.172 0.000 1.902 88 A HA -0.193 4.128 4.320 0.001 0.000 0.217 88 A C 2.402 179.893 177.584 -0.154 0.000 1.181 88 A CA 1.214 53.145 52.037 -0.177 0.000 0.623 88 A CB -0.793 18.118 19.000 -0.148 0.000 0.818 88 A HN 0.370 nan 8.150 nan 0.000 0.443 89 C N -0.846 118.375 119.300 -0.131 0.000 2.440 89 C HA -0.067 4.393 4.460 0.001 0.000 0.278 89 C C 2.720 177.638 174.990 -0.120 0.000 1.295 89 C CA 1.044 59.996 59.018 -0.109 0.000 1.738 89 C CB -0.984 26.697 27.740 -0.100 0.000 1.987 89 C HN 0.584 nan 8.230 nan 0.000 0.492 90 Q N 0.410 120.132 119.800 -0.130 0.000 2.369 90 Q HA 0.095 4.436 4.340 0.001 0.000 0.206 90 Q C 1.888 177.797 176.000 -0.152 0.000 0.963 90 Q CA 0.886 56.618 55.803 -0.120 0.000 0.894 90 Q CB -0.379 28.296 28.738 -0.106 0.000 0.965 90 Q HN 0.680 nan 8.270 nan 0.000 0.475 91 L N 0.317 121.402 121.223 -0.230 0.000 2.554 91 L HA 0.026 4.367 4.340 0.001 0.000 0.226 91 L C 0.409 177.165 176.870 -0.190 0.000 1.137 91 L CA 0.184 54.838 54.840 -0.311 0.000 0.863 91 L CB 0.061 41.841 42.059 -0.465 0.000 0.985 91 L HN -0.076 nan 8.230 nan 0.000 0.451 92 T N 1.964 116.430 114.554 -0.148 0.000 2.779 92 T HA 0.172 4.522 4.350 0.001 0.000 0.296 92 T C -2.284 172.295 174.700 -0.202 0.000 0.938 92 T CA -1.055 60.966 62.100 -0.133 0.000 1.119 92 T CB 0.782 69.588 68.868 -0.103 0.000 0.891 92 T HN -0.126 nan 8.240 nan 0.000 0.526 93 P HA 0.115 nan 4.420 nan 0.000 0.266 93 P C -1.869 175.198 177.300 -0.388 0.000 1.195 93 P CA -1.331 61.561 63.100 -0.345 0.000 0.768 93 P CB 0.188 31.800 31.700 -0.146 0.000 0.838 94 P HA -0.152 nan 4.420 nan 0.000 0.219 94 P C 0.338 177.366 177.300 -0.453 0.000 1.146 94 P CA 1.693 64.511 63.100 -0.470 0.000 0.808 94 P CB -0.135 31.280 31.700 -0.475 0.000 0.779 95 H N -2.538 116.420 119.070 -0.185 0.000 2.487 95 H HA 0.275 4.832 4.556 0.001 0.000 0.290 95 H C 0.430 175.695 175.328 -0.105 0.000 1.081 95 H CA -0.288 55.694 56.048 -0.109 0.000 1.116 95 H CB -0.204 29.511 29.762 -0.079 0.000 1.560 95 H HN -0.046 nan 8.280 nan 0.000 0.548 96 S N 1.270 116.932 115.700 -0.064 0.000 2.558 96 S HA 0.266 4.736 4.470 0.001 0.000 0.288 96 S C 0.725 175.287 174.600 -0.064 0.000 1.318 96 S CA -0.420 57.737 58.200 -0.072 0.000 1.056 96 S CB 0.111 63.262 63.200 -0.082 0.000 0.853 96 S HN 0.541 nan 8.310 nan 0.000 0.505 97 A N 5.195 127.964 122.820 -0.085 0.000 2.548 97 A HA 0.241 4.562 4.320 0.001 0.000 0.247 97 A C 0.746 178.301 177.584 -0.049 0.000 1.067 97 A CA -0.134 51.864 52.037 -0.066 0.000 0.757 97 A CB -0.148 18.783 19.000 -0.115 0.000 0.996 97 A HN 0.938 nan 8.150 nan 0.000 0.504 98 R N 2.281 122.747 120.500 -0.057 0.000 2.827 98 R HA 0.336 4.676 4.340 0.001 0.000 0.269 98 R C 0.320 176.515 176.300 -0.175 0.000 1.048 98 R CA 0.264 56.292 56.100 -0.120 0.000 1.173 98 R CB 0.266 30.499 30.300 -0.112 0.000 1.070 98 R HN 0.510 nan 8.270 nan 0.000 0.498 99 S N -0.314 115.147 115.700 -0.398 0.000 2.584 99 S HA 0.097 4.568 4.470 0.001 0.000 0.273 99 S C 0.629 175.023 174.600 -0.343 0.000 1.311 99 S CA -0.692 57.224 58.200 -0.473 0.000 1.034 99 S CB 0.901 63.369 63.200 -1.220 0.000 0.939 99 S HN 0.697 nan 8.310 nan 0.000 0.513 100 K N 2.493 122.762 120.400 -0.219 0.000 2.442 100 K HA -0.053 4.268 4.320 0.001 0.000 0.198 100 K C 0.023 176.376 176.600 -0.412 0.000 1.042 100 K CA 1.110 57.216 56.287 -0.302 0.000 0.958 100 K CB -0.117 32.165 32.500 -0.363 0.000 0.766 100 K HN 0.660 nan 8.250 nan 0.000 0.474 101 Y N 0.259 120.349 120.300 -0.350 0.000 2.645 101 Y HA 0.187 4.738 4.550 0.001 0.000 0.307 101 Y C 1.130 176.946 175.900 -0.140 0.000 1.151 101 Y CA -0.112 57.839 58.100 -0.248 0.000 1.291 101 Y CB 0.503 38.746 38.460 -0.362 0.000 1.135 101 Y HN 0.176 nan 8.280 nan 0.000 0.523 102 G N 0.413 109.155 108.800 -0.097 0.000 2.142 102 G HA2 -0.268 3.692 3.960 0.001 0.000 0.225 102 G HA3 -0.268 3.692 3.960 0.001 0.000 0.225 102 G C -0.302 174.673 174.900 0.124 0.000 1.015 102 G CA 0.182 45.290 45.100 0.013 0.000 0.716 102 G HN 0.432 nan 8.290 nan 0.000 0.508 103 F N -2.046 117.883 119.950 -0.034 0.000 2.686 103 F HA 0.867 5.394 4.527 0.001 0.000 0.311 103 F C 0.303 176.082 175.800 -0.036 0.000 1.128 103 F CA -0.978 57.000 58.000 -0.036 0.000 0.946 103 F CB 0.743 39.718 39.000 -0.040 0.000 1.336 103 F HN 0.468 nan 8.300 nan 0.000 0.457 104 G N -0.308 108.571 108.800 0.131 0.000 3.108 104 G HA2 0.562 4.522 3.960 0.001 0.000 0.268 104 G HA3 0.562 4.522 3.960 0.001 0.000 0.268 104 G C 0.195 175.153 174.900 0.097 0.000 1.361 104 G CA -0.656 44.455 45.100 0.019 0.000 1.047 104 G HN 1.143 nan 8.290 nan 0.000 0.540 105 A N -0.543 122.273 122.820 -0.006 0.000 1.972 105 A HA -0.020 4.300 4.320 0.001 0.000 0.219 105 A C 2.120 179.668 177.584 -0.059 0.000 1.169 105 A CA 2.152 54.168 52.037 -0.036 0.000 0.635 105 A CB -0.439 18.490 19.000 -0.118 0.000 0.810 105 A HN 0.605 nan 8.150 nan 0.000 0.446 106 K N -0.189 120.169 120.400 -0.070 0.000 2.063 106 K HA -0.231 4.089 4.320 0.001 0.000 0.208 106 K C 1.699 178.276 176.600 -0.037 0.000 1.048 106 K CA 1.919 58.160 56.287 -0.077 0.000 0.928 106 K CB -0.149 32.308 32.500 -0.072 0.000 0.713 106 K HN 0.402 nan 8.250 nan 0.000 0.442 107 E N 0.301 120.510 120.200 0.014 0.000 2.152 107 E HA -0.099 4.252 4.350 0.001 0.000 0.192 107 E C 1.916 178.495 176.600 -0.036 0.000 0.983 107 E CA 0.848 57.251 56.400 0.006 0.000 0.818 107 E CB -0.022 29.715 29.700 0.063 0.000 0.758 107 E HN 0.082 nan 8.360 nan 0.000 0.467 108 V N 0.814 120.732 119.914 0.007 0.000 2.295 108 V HA -0.255 3.865 4.120 0.001 0.000 0.246 108 V C 2.115 178.169 176.094 -0.066 0.000 1.049 108 V CA 1.923 64.204 62.300 -0.032 0.000 1.024 108 V CB -0.367 31.478 31.823 0.036 0.000 0.648 108 V HN 0.194 nan 8.190 nan 0.000 0.447 109 R N 0.796 121.253 120.500 -0.071 0.000 2.148 109 R HA -0.092 4.249 4.340 0.001 0.000 0.227 109 R C 2.249 178.505 176.300 -0.074 0.000 1.103 109 R CA 1.547 57.594 56.100 -0.087 0.000 0.983 109 R CB -0.383 29.848 30.300 -0.116 0.000 0.874 109 R HN 0.672 nan 8.270 nan 0.000 0.451 110 S N 0.345 116.005 115.700 -0.067 0.000 2.575 110 S HA 0.116 4.586 4.470 0.001 0.000 0.215 110 S C 0.820 175.381 174.600 -0.065 0.000 0.966 110 S CA -0.245 57.920 58.200 -0.059 0.000 0.911 110 S CB -0.180 62.990 63.200 -0.050 0.000 0.780 110 S HN 0.323 nan 8.310 nan 0.000 0.514 111 L N 1.741 122.916 121.223 -0.079 0.000 3.634 111 L HA -0.175 4.165 4.340 0.001 0.000 0.423 111 L C 0.532 177.347 176.870 -0.093 0.000 1.253 111 L CA 0.276 55.061 54.840 -0.091 0.000 0.885 111 L CB -2.917 39.094 42.059 -0.080 0.000 1.789 111 L HN 0.643 nan 8.230 nan 0.000 0.904 112 S N -0.798 114.842 115.700 -0.099 0.000 2.562 112 S HA 0.369 4.839 4.470 0.001 0.000 0.281 112 S C 1.635 176.165 174.600 -0.117 0.000 1.333 112 S CA -0.058 58.087 58.200 -0.092 0.000 1.052 112 S CB 1.726 64.878 63.200 -0.080 0.000 0.884 112 S HN 0.411 nan 8.310 nan 0.000 0.506 113 G N 2.470 111.218 108.800 -0.087 0.000 2.505 113 G HA2 -0.304 3.657 3.960 0.001 0.000 0.220 113 G HA3 -0.304 3.657 3.960 0.001 0.000 0.220 113 G C 1.426 176.262 174.900 -0.107 0.000 1.145 113 G CA 0.989 46.038 45.100 -0.084 0.000 0.761 113 G HN 0.846 nan 8.290 nan 0.000 0.571 114 R N 0.579 121.013 120.500 -0.109 0.000 2.083 114 R HA -0.013 4.327 4.340 0.001 0.000 0.237 114 R C 2.862 178.989 176.300 -0.290 0.000 1.137 114 R CA 1.679 57.707 56.100 -0.120 0.000 0.951 114 R CB -0.436 29.828 30.300 -0.060 0.000 0.851 114 R HN 0.305 nan 8.270 nan 0.000 0.434 115 A N 0.198 122.726 122.820 -0.487 0.000 1.873 115 A HA -0.073 4.248 4.320 0.001 0.000 0.215 115 A C 2.294 179.572 177.584 -0.511 0.000 1.186 115 A CA 1.468 52.915 52.037 -0.983 0.000 0.616 115 A CB -0.562 17.932 19.000 -0.843 0.000 0.823 115 A HN 0.233 nan 8.150 nan 0.000 0.442 116 V N 1.115 120.856 119.914 -0.288 0.000 2.343 116 V HA -0.258 3.863 4.120 0.001 0.000 0.247 116 V C 2.293 178.307 176.094 -0.134 0.000 1.051 116 V CA 2.152 64.345 62.300 -0.179 0.000 1.036 116 V CB -1.014 30.728 31.823 -0.136 0.000 0.654 116 V HN 0.541 nan 8.190 nan 0.000 0.451 117 N N -0.279 118.351 118.700 -0.116 0.000 2.149 117 N HA -0.202 4.539 4.740 0.001 0.000 0.188 117 N C 1.804 177.277 175.510 -0.061 0.000 1.019 117 N CA 1.889 54.896 53.050 -0.072 0.000 0.857 117 N CB -0.528 37.931 38.487 -0.047 0.000 0.997 117 N HN 0.741 nan 8.380 nan 0.000 0.426 118 H N 0.660 119.633 119.070 -0.161 0.000 2.321 118 H HA 0.105 4.662 4.556 0.001 0.000 0.300 118 H C 2.053 177.328 175.328 -0.087 0.000 1.087 118 H CA 1.500 57.477 56.048 -0.119 0.000 1.319 118 H CB -0.244 29.466 29.762 -0.087 0.000 1.379 118 H HN 0.114 nan 8.280 nan 0.000 0.501 119 I N 0.478 121.016 120.570 -0.054 0.000 2.208 119 I HA -0.273 3.897 4.170 0.001 0.000 0.245 119 I C 2.352 178.440 176.117 -0.048 0.000 1.097 119 I CA 1.491 62.771 61.300 -0.034 0.000 1.363 119 I CB -0.286 37.709 38.000 -0.009 0.000 1.051 119 I HN 0.279 nan 8.210 nan 0.000 0.413 120 K N 0.428 120.792 120.400 -0.060 0.000 2.063 120 K HA -0.142 4.178 4.320 0.001 0.000 0.208 120 K C 2.321 178.928 176.600 0.011 0.000 1.048 120 K CA 1.700 57.983 56.287 -0.008 0.000 0.928 120 K CB -0.191 32.290 32.500 -0.033 0.000 0.713 120 K HN 0.192 nan 8.250 nan 0.000 0.442 121 S N 0.591 116.235 115.700 -0.094 0.000 2.368 121 S HA -0.098 4.373 4.470 0.001 0.000 0.225 121 S C 2.074 176.587 174.600 -0.146 0.000 1.030 121 S CA 1.033 59.157 58.200 -0.127 0.000 0.999 121 S CB -0.116 62.965 63.200 -0.198 0.000 0.844 121 S HN 0.047 nan 8.310 nan 0.000 0.459 122 V N 1.050 120.833 119.914 -0.219 0.000 2.343 122 V HA -0.166 3.954 4.120 0.001 0.000 0.247 122 V C 1.914 178.005 176.094 -0.005 0.000 1.051 122 V CA 1.420 63.630 62.300 -0.151 0.000 1.036 122 V CB -0.634 31.102 31.823 -0.146 0.000 0.654 122 V HN 0.704 nan 8.190 nan 0.000 0.451 123 W N 1.395 122.626 121.300 -0.115 0.000 2.358 123 W HA -0.223 4.437 4.660 0.001 0.000 0.303 123 W C 2.502 178.985 176.519 -0.060 0.000 1.208 123 W CA 2.230 59.532 57.345 -0.071 0.000 1.274 123 W CB -0.083 29.341 29.460 -0.059 0.000 1.138 123 W HN 0.243 nan 8.180 nan 0.000 0.515 124 K N 0.628 121.057 120.400 0.048 0.000 2.097 124 K HA -0.260 4.060 4.320 0.001 0.000 0.206 124 K C 1.707 178.236 176.600 -0.119 0.000 1.049 124 K CA 2.204 58.468 56.287 -0.039 0.000 0.933 124 K CB -0.559 31.950 32.500 0.014 0.000 0.717 124 K HN 0.030 nan 8.250 nan 0.000 0.442 125 D N 0.217 120.551 120.400 -0.111 0.000 2.144 125 D HA -0.125 4.516 4.640 0.001 0.000 0.200 125 D C 1.945 178.154 176.300 -0.153 0.000 0.978 125 D CA 0.818 54.752 54.000 -0.111 0.000 0.833 125 D CB 0.094 40.838 40.800 -0.095 0.000 0.961 125 D HN 0.206 nan 8.370 nan 0.000 0.470 126 L N -0.005 121.083 121.223 -0.225 0.000 2.083 126 L HA -0.135 4.206 4.340 0.001 0.000 0.209 126 L C 2.378 179.066 176.870 -0.304 0.000 1.083 126 L CA 0.704 55.371 54.840 -0.287 0.000 0.752 126 L CB -0.318 41.489 42.059 -0.420 0.000 0.899 126 L HN 0.247 nan 8.230 nan 0.000 0.433 127 L N -0.955 120.049 121.223 -0.364 0.000 2.156 127 L HA -0.138 4.203 4.340 0.001 0.000 0.208 127 L C 2.211 178.994 176.870 -0.144 0.000 1.095 127 L CA 1.055 55.728 54.840 -0.278 0.000 0.770 127 L CB -0.296 41.589 42.059 -0.289 0.000 0.914 127 L HN 0.299 nan 8.230 nan 0.000 0.439 128 E N -0.977 119.149 120.200 -0.123 0.000 2.276 128 E HA -0.060 4.290 4.350 0.001 0.000 0.193 128 E C 0.155 176.722 176.600 -0.056 0.000 0.983 128 E CA 0.178 56.535 56.400 -0.072 0.000 0.861 128 E CB 0.461 30.125 29.700 -0.059 0.000 0.817 128 E HN 0.160 nan 8.360 nan 0.000 0.485 129 D N -0.124 120.235 120.400 -0.068 0.000 2.549 129 D HA 0.071 4.711 4.640 0.001 0.000 0.251 129 D C -0.224 176.041 176.300 -0.059 0.000 1.153 129 D CA -0.444 53.526 54.000 -0.050 0.000 0.861 129 D CB 1.445 42.216 40.800 -0.048 0.000 1.207 129 D HN -0.085 nan 8.370 nan 0.000 0.543 130 S N 2.074 117.755 115.700 -0.032 0.000 2.602 130 S HA 0.181 4.652 4.470 0.001 0.000 0.240 130 S C 0.857 175.420 174.600 -0.062 0.000 0.992 130 S CA -0.385 57.793 58.200 -0.037 0.000 0.971 130 S CB 0.461 63.704 63.200 0.071 0.000 0.855 130 S HN 0.579 nan 8.310 nan 0.000 0.481 131 E N 1.020 121.193 120.200 -0.045 0.000 2.502 131 E HA 0.114 4.465 4.350 0.001 0.000 0.206 131 E C -0.567 176.019 176.600 -0.024 0.000 0.821 131 E CA 0.194 56.575 56.400 -0.032 0.000 1.354 131 E CB 0.514 30.209 29.700 -0.008 0.000 1.336 131 E HN 0.363 nan 8.360 nan 0.000 0.675 132 T N 4.661 119.204 114.554 -0.019 0.000 2.817 132 T HA 0.161 4.511 4.350 0.001 0.000 0.295 132 T C -2.558 172.142 174.700 -0.000 0.000 0.958 132 T CA -0.911 61.189 62.100 0.000 0.000 1.157 132 T CB 0.971 69.841 68.868 0.003 0.000 0.898 132 T HN 0.082 nan 8.240 nan 0.000 0.536 133 P HA 0.146 nan 4.420 nan 0.000 0.266 133 P C -0.219 177.091 177.300 0.016 0.000 1.195 133 P CA -0.118 62.995 63.100 0.021 0.000 0.768 133 P CB 0.337 32.085 31.700 0.081 0.000 0.838 134 I N 5.608 126.169 120.570 -0.015 0.000 2.371 134 I HA 0.202 4.373 4.170 0.001 0.000 0.290 134 I C -1.872 174.263 176.117 0.030 0.000 1.028 134 I CA -2.351 58.950 61.300 0.001 0.000 1.345 134 I CB 0.916 38.899 38.000 -0.029 0.000 1.407 134 I HN 0.188 nan 8.210 nan 0.000 0.501 135 P HA 0.082 nan 4.420 nan 0.000 0.268 135 P C -0.595 176.762 177.300 0.096 0.000 1.205 135 P CA -0.107 63.093 63.100 0.166 0.000 0.771 135 P CB 0.500 32.230 31.700 0.052 0.000 0.858 136 T N -1.188 113.443 114.554 0.129 0.000 2.916 136 T HA 0.609 4.960 4.350 0.001 0.000 0.292 136 T C -0.433 174.253 174.700 -0.023 0.000 1.055 136 T CA -0.710 61.383 62.100 -0.011 0.000 1.009 136 T CB 1.067 69.907 68.868 -0.047 0.000 1.118 136 T HN 0.142 nan 8.240 nan 0.000 0.497 137 T N 2.015 116.379 114.554 -0.317 0.000 2.824 137 T HA 0.600 4.950 4.350 0.001 0.000 0.280 137 T C -0.424 174.099 174.700 -0.295 0.000 0.995 137 T CA -0.659 61.249 62.100 -0.320 0.000 1.009 137 T CB 0.856 69.402 68.868 -0.536 0.000 0.955 137 T HN 0.737 nan 8.240 nan 0.000 0.452 138 I N 3.753 124.286 120.570 -0.063 0.000 2.441 138 I HA 0.571 4.741 4.170 0.001 0.000 0.295 138 I C -1.113 175.060 176.117 0.095 0.000 0.994 138 I CA -0.906 60.416 61.300 0.037 0.000 1.144 138 I CB 0.860 38.910 38.000 0.082 0.000 1.314 138 I HN 0.417 nan 8.210 nan 0.000 0.445 139 M N 6.219 125.913 119.600 0.157 0.000 2.550 139 M HA 0.463 4.943 4.480 0.001 0.000 0.292 139 M C -0.578 175.797 176.300 0.124 0.000 1.221 139 M CA -0.601 54.792 55.300 0.156 0.000 0.873 139 M CB 1.814 34.550 32.600 0.227 0.000 1.727 139 M HN 0.620 nan 8.290 nan 0.000 0.459 140 A N 2.315 125.189 122.820 0.091 0.000 2.354 140 A HA 0.399 4.720 4.320 0.001 0.000 0.281 140 A C 0.019 177.647 177.584 0.074 0.000 1.174 140 A CA -0.357 51.724 52.037 0.073 0.000 0.828 140 A CB 0.037 19.069 19.000 0.053 0.000 1.099 140 A HN 0.742 nan 8.150 nan 0.000 0.516 141 K N 2.529 122.974 120.400 0.074 0.000 2.401 141 K HA 0.055 4.376 4.320 0.001 0.000 0.278 141 K C -0.518 176.097 176.600 0.026 0.000 1.018 141 K CA -0.043 56.274 56.287 0.051 0.000 0.981 141 K CB 0.372 32.907 32.500 0.059 0.000 0.933 141 K HN 0.636 nan 8.250 nan 0.000 0.477 142 N N 4.077 122.767 118.700 -0.017 0.000 2.500 142 N HA 0.111 4.851 4.740 0.001 0.000 0.236 142 N C -0.851 174.550 175.510 -0.182 0.000 1.022 142 N CA -0.008 52.997 53.050 -0.074 0.000 0.935 142 N CB 0.931 39.378 38.487 -0.067 0.000 1.147 142 N HN 0.493 nan 8.380 nan 0.000 0.512 143 E N 0.364 120.438 120.200 -0.209 0.000 2.288 143 E HA 0.462 4.812 4.350 0.001 0.000 0.268 143 E C -0.672 175.529 176.600 -0.665 0.000 0.885 143 E CA -0.926 55.231 56.400 -0.405 0.000 0.767 143 E CB 2.537 32.051 29.700 -0.309 0.000 1.220 143 E HN 0.051 nan 8.360 nan 0.000 0.427 144 V N 3.107 122.483 119.914 -0.896 0.000 2.472 144 V HA 0.480 4.601 4.120 0.001 0.000 0.290 144 V C -0.811 174.613 176.094 -1.117 0.000 1.037 144 V CA -0.237 61.531 62.300 -0.887 0.000 0.908 144 V CB 0.295 31.703 31.823 -0.690 0.000 0.985 144 V HN 0.509 nan 8.190 nan 0.000 0.454 145 F N 2.102 121.671 119.950 -0.636 0.000 2.664 145 F HA 0.603 5.131 4.527 0.001 0.000 0.317 145 F C 0.066 175.633 175.800 -0.388 0.000 1.108 145 F CA -0.722 56.974 58.000 -0.507 0.000 0.957 145 F CB 1.329 39.999 39.000 -0.550 0.000 1.365 145 F HN 0.526 nan 8.300 nan 0.000 0.475 146 C N 2.479 121.850 119.300 0.119 0.000 2.366 146 C HA 0.801 5.262 4.460 0.001 0.000 0.345 146 C C 0.086 175.278 174.990 0.338 0.000 1.209 146 C CA -0.700 58.434 59.018 0.194 0.000 2.050 146 C CB 0.174 27.990 27.740 0.126 0.000 2.359 146 C HN 0.726 nan 8.230 nan 0.000 0.527 147 V N 3.444 123.581 119.914 0.371 0.000 2.901 147 V HA 0.243 4.363 4.120 0.001 0.000 0.307 147 V C 0.136 176.311 176.094 0.136 0.000 1.084 147 V CA 0.339 62.792 62.300 0.255 0.000 1.184 147 V CB 0.571 32.464 31.823 0.118 0.000 0.941 147 V HN 0.891 nan 8.190 nan 0.000 0.493 148 D N 4.128 124.574 120.400 0.077 0.000 2.414 148 D HA 0.439 5.079 4.640 0.001 0.000 0.232 148 D C -1.645 174.660 176.300 0.009 0.000 1.070 148 D CA -1.972 52.048 54.000 0.035 0.000 0.839 148 D CB 2.003 42.811 40.800 0.013 0.000 1.079 148 D HN 0.426 nan 8.370 nan 0.000 0.521 149 P HA -0.110 nan 4.420 nan 0.000 0.218 149 P C 0.511 177.805 177.300 -0.010 0.000 1.146 149 P CA 0.948 64.046 63.100 -0.003 0.000 0.820 149 P CB 0.187 31.887 31.700 -0.001 0.000 0.778 154 K N 1.257 121.506 120.400 -0.252 0.000 2.259 154 K HA 0.540 4.861 4.320 0.001 0.000 0.252 154 K C -0.768 175.732 176.600 -0.167 0.000 0.936 154 K CA -0.662 55.363 56.287 -0.436 0.000 0.810 154 K CB 2.621 34.627 32.500 -0.825 0.000 1.143 154 K HN 0.042 nan 8.250 nan 0.000 0.427 155 K N 1.083 121.480 120.400 -0.005 0.000 2.355 155 K HA 0.190 4.511 4.320 0.001 0.000 0.270 155 K C -0.039 176.588 176.600 0.046 0.000 1.003 155 K CA -0.284 55.990 56.287 -0.022 0.000 0.957 155 K CB 0.796 33.186 32.500 -0.183 0.000 0.939 155 K HN 0.638 nan 8.250 nan 0.000 0.482 156 A N 1.690 124.519 122.820 0.014 0.000 2.340 156 A HA 0.485 4.806 4.320 0.001 0.000 0.268 156 A C -0.115 177.513 177.584 0.073 0.000 1.100 156 A CA -0.467 51.591 52.037 0.034 0.000 0.803 156 A CB 0.442 19.444 19.000 0.004 0.000 1.043 156 A HN 0.785 nan 8.150 nan 0.000 0.488 157 A N 2.210 125.081 122.820 0.084 0.000 2.540 157 A HA 0.342 4.662 4.320 0.001 0.000 0.239 157 A C 0.767 178.403 177.584 0.086 0.000 1.061 157 A CA 0.045 52.142 52.037 0.101 0.000 0.758 157 A CB -0.063 18.983 19.000 0.078 0.000 0.991 157 A HN 0.843 nan 8.150 nan 0.000 0.502 158 R N 0.784 121.351 120.500 0.112 0.000 2.641 158 R HA 0.369 4.710 4.340 0.001 0.000 0.269 158 R C -0.732 175.626 176.300 0.097 0.000 1.074 158 R CA -0.119 56.046 56.100 0.108 0.000 1.133 158 R CB 0.345 30.723 30.300 0.129 0.000 1.029 158 R HN 0.655 nan 8.270 nan 0.000 0.488 159 L N 3.025 124.309 121.223 0.102 0.000 2.307 159 L HA 0.443 4.783 4.340 0.001 0.000 0.284 159 L C -0.384 176.571 176.870 0.142 0.000 1.023 159 L CA -0.894 54.009 54.840 0.104 0.000 0.810 159 L CB 1.438 43.542 42.059 0.074 0.000 1.231 159 L HN 0.437 nan 8.230 nan 0.000 0.423 160 I N 3.594 124.264 120.570 0.167 0.000 2.378 160 I HA 0.443 4.614 4.170 0.001 0.000 0.291 160 I C -0.727 175.556 176.117 0.277 0.000 0.992 160 I CA -0.310 61.121 61.300 0.218 0.000 1.154 160 I CB 1.772 39.897 38.000 0.208 0.000 1.315 160 I HN 0.182 nan 8.210 nan 0.000 0.448 161 V N 9.336 129.408 119.914 0.264 0.000 2.407 161 V HA 0.522 4.643 4.120 0.001 0.000 0.291 161 V C -1.087 175.155 176.094 0.246 0.000 1.018 161 V CA -0.519 61.894 62.300 0.188 0.000 0.842 161 V CB 0.929 32.843 31.823 0.152 0.000 0.996 161 V HN 0.660 nan 8.190 nan 0.000 0.426 162 Y N 4.734 125.088 120.300 0.091 0.000 2.571 162 Y HA 0.920 5.471 4.550 0.001 0.000 0.341 162 Y C -3.162 172.788 175.900 0.084 0.000 1.076 162 Y CA -3.111 55.042 58.100 0.088 0.000 1.029 162 Y CB 1.879 40.385 38.460 0.076 0.000 1.308 162 Y HN 0.409 nan 8.280 nan 0.000 0.461 163 P HA 0.190 nan 4.420 nan 0.000 0.281 163 P C -0.952 176.471 177.300 0.205 0.000 1.281 163 P CA -0.257 62.914 63.100 0.118 0.000 0.811 163 P CB 1.473 33.242 31.700 0.115 0.000 1.154 164 D N -0.617 119.874 120.400 0.152 0.000 2.419 164 D HA -0.064 4.576 4.640 0.001 0.000 0.236 164 D C 1.372 177.774 176.300 0.171 0.000 1.165 164 D CA -0.223 53.879 54.000 0.171 0.000 0.882 164 D CB 0.305 41.225 40.800 0.200 0.000 1.201 164 D HN 0.118 nan 8.370 nan 0.000 0.443 165 L N 3.583 124.880 121.223 0.123 0.000 2.051 165 L HA -0.065 4.275 4.340 0.001 0.000 0.214 165 L C 2.054 179.038 176.870 0.189 0.000 1.076 165 L CA 2.627 57.533 54.840 0.109 0.000 0.758 165 L CB -1.111 40.958 42.059 0.016 0.000 0.890 165 L HN 0.667 nan 8.230 nan 0.000 0.433 166 G N -1.214 107.744 108.800 0.264 0.000 2.440 166 G HA2 -0.233 3.727 3.960 0.001 0.000 0.218 166 G HA3 -0.233 3.727 3.960 0.001 0.000 0.218 166 G C 1.514 176.542 174.900 0.214 0.000 1.154 166 G CA 1.215 46.536 45.100 0.367 0.000 0.767 166 G HN 0.378 nan 8.290 nan 0.000 0.552 167 V N 0.759 120.776 119.914 0.172 0.000 2.427 167 V HA -0.136 3.984 4.120 0.001 0.000 0.248 167 V C 2.903 179.080 176.094 0.139 0.000 1.051 167 V CA 1.837 64.214 62.300 0.129 0.000 1.048 167 V CB -0.465 31.417 31.823 0.100 0.000 0.666 167 V HN 0.333 nan 8.190 nan 0.000 0.456 168 R N -0.134 120.451 120.500 0.142 0.000 2.096 168 R HA -0.118 4.223 4.340 0.001 0.000 0.235 168 R C 2.246 178.609 176.300 0.105 0.000 1.127 168 R CA 1.428 57.604 56.100 0.127 0.000 0.968 168 R CB -0.688 29.678 30.300 0.110 0.000 0.861 168 R HN 0.423 nan 8.270 nan 0.000 0.440 169 V N 0.680 120.654 119.914 0.100 0.000 2.343 169 V HA -0.299 3.821 4.120 0.001 0.000 0.247 169 V C 2.542 178.677 176.094 0.069 0.000 1.051 169 V CA 1.607 63.943 62.300 0.058 0.000 1.036 169 V CB -0.508 31.346 31.823 0.051 0.000 0.654 169 V HN 0.449 nan 8.190 nan 0.000 0.451 170 C N -0.137 119.247 119.300 0.141 0.000 2.413 170 C HA -0.157 4.304 4.460 0.001 0.000 0.277 170 C C 2.659 177.819 174.990 0.283 0.000 1.265 170 C CA 0.941 60.120 59.018 0.268 0.000 1.752 170 C CB -1.054 26.915 27.740 0.381 0.000 1.998 170 C HN 0.621 nan 8.230 nan 0.000 0.489 171 E N 0.755 121.077 120.200 0.204 0.000 2.085 171 E HA -0.226 4.124 4.350 0.001 0.000 0.194 171 E C 2.156 178.863 176.600 0.178 0.000 0.994 171 E CA 1.211 57.737 56.400 0.210 0.000 0.801 171 E CB -0.128 29.700 29.700 0.213 0.000 0.743 171 E HN 0.640 nan 8.360 nan 0.000 0.453 172 K N 0.305 120.778 120.400 0.122 0.000 2.026 172 K HA -0.099 4.222 4.320 0.001 0.000 0.208 172 K C 2.193 178.838 176.600 0.075 0.000 1.048 172 K CA 1.335 57.677 56.287 0.092 0.000 0.929 172 K CB -0.103 32.385 32.500 -0.019 0.000 0.713 172 K HN 0.114 nan 8.250 nan 0.000 0.439 173 M N 0.233 119.836 119.600 0.006 0.000 2.149 173 M HA -0.178 4.303 4.480 0.001 0.000 0.261 173 M C 2.380 178.702 176.300 0.037 0.000 1.064 173 M CA 1.665 56.901 55.300 -0.108 0.000 1.102 173 M CB -0.332 31.992 32.600 -0.460 0.000 1.369 173 M HN 0.240 nan 8.290 nan 0.000 0.408 174 A N -0.569 122.387 122.820 0.227 0.000 1.930 174 A HA 0.055 4.376 4.320 0.001 0.000 0.215 174 A C 1.835 179.497 177.584 0.130 0.000 1.176 174 A CA 1.114 53.328 52.037 0.295 0.000 0.632 174 A CB -0.086 19.126 19.000 0.354 0.000 0.819 174 A HN 0.499 nan 8.150 nan 0.000 0.445 175 L N -3.426 117.855 121.223 0.096 0.000 3.128 175 L HA 0.198 4.539 4.340 0.001 0.000 0.277 175 L C 1.801 178.660 176.870 -0.018 0.000 1.171 175 L CA 0.038 54.869 54.840 -0.014 0.000 1.008 175 L CB 0.126 42.148 42.059 -0.061 0.000 1.442 175 L HN 0.434 nan 8.230 nan 0.000 0.584 176 Y N 1.455 121.729 120.300 -0.043 0.000 2.145 176 Y HA -0.319 4.232 4.550 0.001 0.000 0.286 176 Y C 2.175 178.047 175.900 -0.047 0.000 1.145 176 Y CA 2.287 60.360 58.100 -0.044 0.000 1.148 176 Y CB 0.076 38.518 38.460 -0.031 0.000 0.981 176 Y HN 0.229 nan 8.280 nan 0.000 0.507 177 D N -0.014 120.371 120.400 -0.024 0.000 2.123 177 D HA -0.218 4.422 4.640 0.001 0.000 0.196 177 D C 2.114 178.306 176.300 -0.181 0.000 0.992 177 D CA 1.863 55.804 54.000 -0.098 0.000 0.833 177 D CB -0.359 40.438 40.800 -0.004 0.000 0.954 177 D HN 0.507 nan 8.370 nan 0.000 0.455 178 I N 0.262 120.735 120.570 -0.163 0.000 2.208 178 I HA -0.288 3.882 4.170 0.001 0.000 0.245 178 I C 2.403 178.378 176.117 -0.237 0.000 1.097 178 I CA 1.656 62.848 61.300 -0.180 0.000 1.363 178 I CB -0.653 37.231 38.000 -0.194 0.000 1.051 178 I HN 0.202 nan 8.210 nan 0.000 0.413 179 T N -1.776 112.596 114.554 -0.303 0.000 2.929 179 T HA -0.169 4.182 4.350 0.001 0.000 0.271 179 T C 1.676 176.194 174.700 -0.303 0.000 1.085 179 T CA 0.859 62.779 62.100 -0.300 0.000 1.125 179 T CB -0.164 68.523 68.868 -0.302 0.000 0.874 179 T HN 0.280 nan 8.240 nan 0.000 0.494 180 Q N 0.569 120.157 119.800 -0.353 0.000 2.424 180 Q HA 0.234 4.574 4.340 0.001 0.000 0.204 180 Q C 1.595 177.499 176.000 -0.160 0.000 0.933 180 Q CA 0.788 56.440 55.803 -0.252 0.000 0.929 180 Q CB 0.278 28.851 28.738 -0.275 0.000 1.037 180 Q HN 0.659 nan 8.270 nan 0.000 0.511 181 K N -1.189 119.108 120.400 -0.172 0.000 2.550 181 K HA 0.108 4.429 4.320 0.001 0.000 0.205 181 K C 1.570 178.079 176.600 -0.151 0.000 1.429 181 K CA -0.134 56.076 56.287 -0.129 0.000 0.997 181 K CB 0.299 32.744 32.500 -0.092 0.000 1.328 181 K HN -0.078 nan 8.250 nan 0.000 0.546 182 L N 2.626 123.746 121.223 -0.172 0.000 2.044 182 L HA 0.027 4.367 4.340 0.001 0.000 0.205 182 L C -1.342 175.388 176.870 -0.234 0.000 1.075 182 L CA 1.711 56.462 54.840 -0.149 0.000 0.747 182 L CB -0.677 41.331 42.059 -0.084 0.000 0.903 182 L HN -0.054 nan 8.230 nan 0.000 0.435 183 P HA -0.178 nan 4.420 nan 0.000 0.215 183 P C 1.376 178.375 177.300 -0.502 0.000 1.153 183 P CA 1.435 64.163 63.100 -0.620 0.000 0.853 183 P CB 0.005 30.846 31.700 -1.430 0.000 0.788 184 Q N -0.488 119.071 119.800 -0.401 0.000 2.124 184 Q HA -0.078 4.263 4.340 0.001 0.000 0.202 184 Q C 2.248 178.167 176.000 -0.134 0.000 0.977 184 Q CA 1.911 57.606 55.803 -0.180 0.000 0.850 184 Q CB -1.257 27.428 28.738 -0.089 0.000 0.901 184 Q HN 0.190 nan 8.270 nan 0.000 0.429 185 A N -0.298 122.441 122.820 -0.135 0.000 1.968 185 A HA -0.073 4.248 4.320 0.001 0.000 0.217 185 A C 2.193 179.723 177.584 -0.091 0.000 1.169 185 A CA 1.159 53.144 52.037 -0.086 0.000 0.638 185 A CB -0.317 18.642 19.000 -0.069 0.000 0.812 185 A HN 0.235 nan 8.150 nan 0.000 0.446 186 V N -0.318 119.511 119.914 -0.141 0.000 2.599 186 V HA -0.076 4.045 4.120 0.001 0.000 0.245 186 V C 2.204 178.156 176.094 -0.238 0.000 1.046 186 V CA 1.934 64.148 62.300 -0.144 0.000 1.065 186 V CB -0.222 31.513 31.823 -0.146 0.000 0.703 186 V HN 0.821 nan 8.190 nan 0.000 0.464 187 M N -1.965 117.422 119.600 -0.354 0.000 2.289 187 M HA 0.538 5.018 4.480 0.001 0.000 0.335 187 M C 1.130 177.314 176.300 -0.194 0.000 0.961 187 M CA 0.660 55.651 55.300 -0.514 0.000 1.018 187 M CB 0.869 32.794 32.600 -1.125 0.000 1.678 187 M HN 0.191 nan 8.290 nan 0.000 0.589 188 G N 2.431 111.166 108.800 -0.107 0.000 2.651 188 G HA2 -0.453 3.508 3.960 0.001 0.000 0.315 188 G HA3 -0.453 3.508 3.960 0.001 0.000 0.315 188 G C 0.905 175.830 174.900 0.041 0.000 1.258 188 G CA 1.521 46.615 45.100 -0.009 0.000 1.002 188 G HN 0.898 nan 8.290 nan 0.000 0.551 189 A N -0.826 122.078 122.820 0.139 0.000 2.125 189 A HA 0.265 4.586 4.320 0.001 0.000 0.219 189 A C 2.566 180.244 177.584 0.156 0.000 1.156 189 A CA 2.530 54.729 52.037 0.271 0.000 0.671 189 A CB -0.461 18.816 19.000 0.462 0.000 0.794 189 A HN 1.203 nan 8.150 nan 0.000 0.459 190 S N -1.556 114.198 115.700 0.089 0.000 2.515 190 S HA 0.002 4.472 4.470 0.001 0.000 0.231 190 S C 0.419 174.942 174.600 -0.128 0.000 0.987 190 S CA -0.050 58.139 58.200 -0.019 0.000 0.936 190 S CB -0.337 62.936 63.200 0.120 0.000 0.766 190 S HN 0.612 nan 8.310 nan 0.000 0.528 191 Y N 2.734 122.869 120.300 -0.275 0.000 2.531 191 Y HA 0.471 5.022 4.550 0.001 0.000 0.347 191 Y C 1.174 176.812 175.900 -0.437 0.000 1.024 191 Y CA -1.389 56.524 58.100 -0.312 0.000 1.306 191 Y CB 0.116 38.420 38.460 -0.260 0.000 1.149 191 Y HN 0.026 nan 8.280 nan 0.000 0.527 192 G N 4.388 112.733 108.800 -0.758 0.000 2.494 192 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 192 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 192 G C 0.985 175.392 174.900 -0.823 0.000 1.140 192 G CA 0.073 44.738 45.100 -0.725 0.000 0.801 192 G HN 0.626 nan 8.290 nan 0.000 0.536 193 F N 1.431 120.773 119.950 -1.013 0.000 2.604 193 F HA 0.040 4.567 4.527 0.001 0.000 0.298 193 F C 2.827 178.405 175.800 -0.370 0.000 1.131 193 F CA 0.764 58.423 58.000 -0.568 0.000 1.457 193 F CB -0.058 38.690 39.000 -0.422 0.000 1.095 193 F HN 0.368 nan 8.300 nan 0.000 0.574 194 Q N -0.944 118.529 119.800 -0.546 0.000 2.472 194 Q HA -0.084 4.256 4.340 0.001 0.000 0.208 194 Q C -0.604 175.302 176.000 -0.158 0.000 0.958 194 Q CA 0.697 56.351 55.803 -0.249 0.000 0.932 194 Q CB -0.312 28.251 28.738 -0.291 0.000 1.007 194 Q HN 0.249 nan 8.270 nan 0.000 0.508 195 Y N 1.909 122.179 120.300 -0.050 0.000 2.342 195 Y HA 0.285 4.836 4.550 0.001 0.000 0.334 195 Y C 0.637 176.324 175.900 -0.355 0.000 1.067 195 Y CA -1.631 56.393 58.100 -0.128 0.000 1.128 195 Y CB 1.480 39.830 38.460 -0.183 0.000 1.200 195 Y HN 0.118 nan 8.280 nan 0.000 0.464 196 S N 2.928 118.476 115.700 -0.252 0.000 2.596 196 S HA 0.176 4.646 4.470 0.001 0.000 0.260 196 S C -1.986 172.398 174.600 -0.360 0.000 1.336 196 S CA -0.931 56.845 58.200 -0.706 0.000 0.993 196 S CB 1.032 64.102 63.200 -0.217 0.000 0.923 196 S HN 0.427 nan 8.310 nan 0.000 0.567 197 P HA -0.072 nan 4.420 nan 0.000 0.215 197 P C 1.617 178.887 177.300 -0.049 0.000 1.153 197 P CA 2.046 65.081 63.100 -0.110 0.000 0.853 197 P CB -0.298 31.402 31.700 0.000 0.000 0.788 198 A N -0.516 122.279 122.820 -0.042 0.000 1.933 198 A HA -0.260 4.061 4.320 0.001 0.000 0.218 198 A C 2.179 179.732 177.584 -0.052 0.000 1.175 198 A CA 1.638 53.677 52.037 0.003 0.000 0.628 198 A CB -1.258 17.749 19.000 0.011 0.000 0.814 198 A HN 0.229 nan 8.150 nan 0.000 0.444 199 Q N -0.830 118.915 119.800 -0.092 0.000 2.172 199 Q HA -0.066 4.275 4.340 0.001 0.000 0.200 199 Q C 2.269 178.044 176.000 -0.375 0.000 0.964 199 Q CA 1.034 56.736 55.803 -0.168 0.000 0.855 199 Q CB -0.090 28.626 28.738 -0.036 0.000 0.918 199 Q HN 0.629 nan 8.270 nan 0.000 0.444 200 R N -0.041 120.291 120.500 -0.279 0.000 2.081 200 R HA -0.102 4.239 4.340 0.001 0.000 0.235 200 R C 2.314 178.527 176.300 -0.145 0.000 1.131 200 R CA 1.293 57.231 56.100 -0.271 0.000 0.960 200 R CB -0.470 29.739 30.300 -0.152 0.000 0.856 200 R HN 0.078 nan 8.270 nan 0.000 0.436 201 V N 1.712 121.567 119.914 -0.098 0.000 2.255 201 V HA -0.276 3.845 4.120 0.001 0.000 0.247 201 V C 2.085 178.122 176.094 -0.095 0.000 1.051 201 V CA 1.992 64.250 62.300 -0.070 0.000 1.018 201 V CB -0.496 31.320 31.823 -0.012 0.000 0.641 201 V HN 0.377 nan 8.190 nan 0.000 0.445 202 E N -0.635 119.506 120.200 -0.098 0.000 2.058 202 E HA -0.273 4.078 4.350 0.001 0.000 0.194 202 E C 2.050 178.579 176.600 -0.117 0.000 0.997 202 E CA 1.751 58.087 56.400 -0.107 0.000 0.801 202 E CB -0.319 29.327 29.700 -0.089 0.000 0.746 202 E HN 0.626 nan 8.360 nan 0.000 0.450 203 F N 1.490 121.265 119.950 -0.291 0.000 2.095 203 F HA -0.212 4.315 4.527 0.001 0.000 0.298 203 F C 1.959 177.662 175.800 -0.162 0.000 1.104 203 F CA 1.420 59.259 58.000 -0.269 0.000 1.232 203 F CB -0.113 38.624 39.000 -0.438 0.000 0.987 203 F HN -0.089 nan 8.300 nan 0.000 0.475 204 L N -0.322 120.923 121.223 0.036 0.000 2.056 204 L HA -0.218 4.122 4.340 0.001 0.000 0.207 204 L C 2.479 179.291 176.870 -0.097 0.000 1.078 204 L CA 1.055 55.889 54.840 -0.010 0.000 0.749 204 L CB -0.730 41.323 42.059 -0.010 0.000 0.901 204 L HN 0.222 nan 8.230 nan 0.000 0.433 205 L N -0.378 120.755 121.223 -0.150 0.000 2.046 205 L HA -0.237 4.103 4.340 0.001 0.000 0.208 205 L C 2.634 179.435 176.870 -0.115 0.000 1.077 205 L CA 1.442 56.179 54.840 -0.170 0.000 0.747 205 L CB -0.449 41.435 42.059 -0.291 0.000 0.896 205 L HN 0.224 nan 8.230 nan 0.000 0.432 206 K N -0.118 120.176 120.400 -0.178 0.000 2.057 206 K HA -0.097 4.223 4.320 0.001 0.000 0.206 206 K C 2.273 178.750 176.600 -0.205 0.000 1.050 206 K CA 1.218 57.392 56.287 -0.189 0.000 0.935 206 K CB -0.244 32.120 32.500 -0.227 0.000 0.715 206 K HN 0.260 nan 8.250 nan 0.000 0.439 207 A N 1.458 124.095 122.820 -0.304 0.000 1.908 207 A HA -0.204 4.116 4.320 0.001 0.000 0.218 207 A C 1.929 179.473 177.584 -0.067 0.000 1.181 207 A CA 1.146 53.032 52.037 -0.252 0.000 0.627 207 A CB -0.927 17.879 19.000 -0.324 0.000 0.818 207 A HN 0.579 nan 8.150 nan 0.000 0.445 208 W N 0.344 121.529 121.300 -0.193 0.000 2.381 208 W HA -0.125 4.535 4.660 0.001 0.000 0.301 208 W C 2.342 178.792 176.519 -0.115 0.000 1.205 208 W CA 1.707 58.971 57.345 -0.135 0.000 1.285 208 W CB -0.107 29.275 29.460 -0.130 0.000 1.133 208 W HN 0.424 nan 8.180 nan 0.000 0.521 209 A N -0.029 122.802 122.820 0.018 0.000 2.066 209 A HA -0.157 4.163 4.320 0.001 0.000 0.218 209 A C 1.760 179.279 177.584 -0.108 0.000 1.157 209 A CA 1.312 53.320 52.037 -0.049 0.000 0.670 209 A CB -0.719 18.265 19.000 -0.027 0.000 0.804 209 A HN 0.393 nan 8.150 nan 0.000 0.453 210 E N 0.061 120.187 120.200 -0.123 0.000 2.274 210 E HA -0.074 4.277 4.350 0.001 0.000 0.194 210 E C -0.075 176.443 176.600 -0.136 0.000 0.996 210 E CA 0.450 56.778 56.400 -0.119 0.000 0.840 210 E CB 0.131 29.757 29.700 -0.122 0.000 0.772 210 E HN 0.313 nan 8.360 nan 0.000 0.491 211 K N 0.935 121.218 120.400 -0.196 0.000 2.234 211 K HA 0.133 4.454 4.320 0.001 0.000 0.282 211 K C 0.518 177.000 176.600 -0.196 0.000 1.039 211 K CA -0.069 56.093 56.287 -0.208 0.000 0.928 211 K CB 1.247 33.569 32.500 -0.297 0.000 1.039 211 K HN -0.096 nan 8.250 nan 0.000 0.470 212 K N 0.669 120.985 120.400 -0.139 0.000 2.074 212 K HA -0.169 4.151 4.320 0.001 0.000 0.209 212 K C 0.049 176.567 176.600 -0.137 0.000 1.048 212 K CA 1.529 57.748 56.287 -0.113 0.000 0.926 212 K CB 0.191 32.643 32.500 -0.080 0.000 0.713 212 K HN 0.490 nan 8.250 nan 0.000 0.444 213 D N -0.258 120.046 120.400 -0.160 0.000 2.364 213 D HA 0.174 4.815 4.640 0.001 0.000 0.251 213 D C -2.795 173.369 176.300 -0.226 0.000 1.282 213 D CA -2.065 51.841 54.000 -0.156 0.000 0.927 213 D CB 1.218 41.965 40.800 -0.087 0.000 1.267 213 D HN -0.076 nan 8.370 nan 0.000 0.531 214 P HA 0.238 nan 4.420 nan 0.000 0.275 214 P C -0.350 176.647 177.300 -0.505 0.000 1.228 214 P CA -0.596 62.054 63.100 -0.750 0.000 0.786 214 P CB 1.195 31.812 31.700 -1.805 0.000 0.927 215 M N 2.267 121.664 119.600 -0.338 0.000 2.326 215 M HA 0.582 5.063 4.480 0.001 0.000 0.292 215 M C -1.201 175.084 176.300 -0.026 0.000 1.081 215 M CA -0.276 54.928 55.300 -0.160 0.000 0.919 215 M CB 2.386 34.948 32.600 -0.063 0.000 1.634 215 M HN 0.532 nan 8.290 nan 0.000 0.451 216 G N 4.159 113.030 108.800 0.118 0.000 2.481 216 G HA2 0.826 4.787 3.960 0.001 0.000 0.315 216 G HA3 0.826 4.787 3.960 0.001 0.000 0.315 216 G C -1.766 173.199 174.900 0.107 0.000 1.231 216 G CA -0.581 44.604 45.100 0.141 0.000 0.968 216 G HN 0.772 nan 8.290 nan 0.000 0.482 217 F N -0.725 119.193 119.950 -0.054 0.000 2.631 217 F HA 0.823 5.350 4.527 0.001 0.000 0.308 217 F C -0.445 175.343 175.800 -0.020 0.000 1.097 217 F CA -1.356 56.608 58.000 -0.060 0.000 0.952 217 F CB 1.553 40.500 39.000 -0.088 0.000 1.307 217 F HN 0.388 nan 8.300 nan 0.000 0.450 218 S N 1.270 117.077 115.700 0.179 0.000 2.509 218 S HA 0.440 4.910 4.470 0.001 0.000 0.297 218 S C -1.814 172.998 174.600 0.353 0.000 1.118 218 S CA -0.505 57.776 58.200 0.136 0.000 1.074 218 S CB 1.170 64.411 63.200 0.068 0.000 1.038 218 S HN 0.666 nan 8.310 nan 0.000 0.498 219 Y N 2.409 122.848 120.300 0.232 0.000 2.356 219 Y HA 0.370 4.920 4.550 0.001 0.000 0.334 219 Y C -0.632 175.400 175.900 0.219 0.000 0.958 219 Y CA -1.089 57.204 58.100 0.322 0.000 1.196 219 Y CB 0.803 39.568 38.460 0.507 0.000 1.137 219 Y HN 0.629 nan 8.280 nan 0.000 0.485 220 D N 4.512 124.772 120.400 -0.233 0.000 2.428 220 D HA 0.196 4.836 4.640 0.001 0.000 0.221 220 D C -0.654 175.501 176.300 -0.242 0.000 1.123 220 D CA -0.079 53.840 54.000 -0.136 0.000 0.869 220 D CB 0.790 41.534 40.800 -0.094 0.000 1.032 220 D HN 0.454 nan 8.370 nan 0.000 0.506 221 T N 3.481 118.054 114.554 0.032 0.000 2.884 221 T HA 0.138 4.488 4.350 0.001 0.000 0.298 221 T C 0.508 175.283 174.700 0.125 0.000 0.998 221 T CA -0.437 61.755 62.100 0.154 0.000 1.124 221 T CB 0.690 69.871 68.868 0.522 0.000 0.931 221 T HN 0.307 nan 8.240 nan 0.000 0.531 222 R N 2.037 122.572 120.500 0.058 0.000 2.343 222 R HA 0.183 4.523 4.340 0.001 0.000 0.326 222 R C -0.256 176.139 176.300 0.159 0.000 1.055 222 R CA -0.215 55.916 56.100 0.051 0.000 0.961 222 R CB -0.790 29.476 30.300 -0.058 0.000 0.978 222 R HN 0.927 nan 8.270 nan 0.000 0.443 223 C N 5.372 124.801 119.300 0.216 0.000 3.442 223 C HA -0.161 4.300 4.460 0.001 0.000 0.288 223 C C 1.302 176.499 174.990 0.345 0.000 1.238 223 C CA 0.045 59.244 59.018 0.301 0.000 2.320 223 C CB -2.873 25.102 27.740 0.392 0.000 1.459 223 C HN 1.009 nan 8.230 nan 0.000 0.544 224 F N 1.888 121.958 119.950 0.200 0.000 2.091 224 F HA -0.173 4.355 4.527 0.001 0.000 0.299 224 F C 1.957 177.869 175.800 0.185 0.000 1.103 224 F CA 2.418 60.536 58.000 0.197 0.000 1.228 224 F CB -0.010 39.096 39.000 0.177 0.000 0.984 224 F HN 0.498 nan 8.300 nan 0.000 0.477 225 D N -0.286 120.363 120.400 0.415 0.000 2.133 225 D HA -0.189 4.451 4.640 0.001 0.000 0.195 225 D C 2.439 178.799 176.300 0.101 0.000 0.997 225 D CA 1.794 55.958 54.000 0.274 0.000 0.840 225 D CB -0.632 40.328 40.800 0.267 0.000 0.947 225 D HN 0.256 nan 8.370 nan 0.000 0.452 226 S N -0.503 115.269 115.700 0.121 0.000 2.447 226 S HA -0.112 4.359 4.470 0.001 0.000 0.233 226 S C 2.026 176.558 174.600 -0.113 0.000 1.006 226 S CA 1.441 59.605 58.200 -0.060 0.000 0.957 226 S CB -0.277 62.901 63.200 -0.035 0.000 0.773 226 S HN 0.546 nan 8.310 nan 0.000 0.507 227 T N -0.572 114.003 114.554 0.034 0.000 3.088 227 T HA 0.141 4.492 4.350 0.001 0.000 0.259 227 T C 0.601 175.219 174.700 -0.137 0.000 1.122 227 T CA -0.005 62.105 62.100 0.016 0.000 1.095 227 T CB -0.389 68.447 68.868 -0.054 0.000 0.930 227 T HN 0.039 nan 8.240 nan 0.000 0.508 228 V N 4.091 123.896 119.914 -0.182 0.000 2.479 228 V HA 0.306 4.427 4.120 0.001 0.000 0.281 228 V C 1.159 177.198 176.094 -0.091 0.000 1.031 228 V CA -0.236 61.987 62.300 -0.130 0.000 1.038 228 V CB 0.089 31.887 31.823 -0.042 0.000 0.981 228 V HN 0.720 nan 8.190 nan 0.000 0.478 229 T N 1.075 115.587 114.554 -0.069 0.000 2.881 229 T HA 0.346 4.697 4.350 0.001 0.000 0.278 229 T C 0.958 175.633 174.700 -0.041 0.000 0.982 229 T CA -0.596 61.466 62.100 -0.062 0.000 0.989 229 T CB 1.345 70.182 68.868 -0.053 0.000 1.058 229 T HN 0.630 nan 8.240 nan 0.000 0.529 230 E N -0.114 120.063 120.200 -0.039 0.000 2.118 230 E HA -0.151 4.199 4.350 0.001 0.000 0.195 230 E C 2.316 178.911 176.600 -0.007 0.000 0.992 230 E CA 0.919 57.309 56.400 -0.017 0.000 0.804 230 E CB -0.095 29.595 29.700 -0.016 0.000 0.741 230 E HN 0.631 nan 8.360 nan 0.000 0.458 231 R N 0.923 121.413 120.500 -0.016 0.000 2.096 231 R HA -0.176 4.165 4.340 0.001 0.000 0.235 231 R C 1.423 177.722 176.300 -0.002 0.000 1.127 231 R CA 1.684 57.777 56.100 -0.012 0.000 0.968 231 R CB 0.019 30.302 30.300 -0.028 0.000 0.861 231 R HN 0.100 nan 8.270 nan 0.000 0.440 232 D N 0.437 120.833 120.400 -0.006 0.000 2.144 232 D HA -0.160 4.481 4.640 0.001 0.000 0.199 232 D C 1.865 178.173 176.300 0.013 0.000 0.984 232 D CA 1.304 55.314 54.000 0.017 0.000 0.834 232 D CB -0.063 40.746 40.800 0.015 0.000 0.955 232 D HN 0.357 nan 8.370 nan 0.000 0.465 233 I N 0.426 121.004 120.570 0.013 0.000 2.406 233 I HA -0.136 4.035 4.170 0.001 0.000 0.249 233 I C 2.390 178.513 176.117 0.010 0.000 1.122 233 I CA 0.662 61.976 61.300 0.023 0.000 1.431 233 I CB 0.018 38.052 38.000 0.056 0.000 1.087 233 I HN -0.126 nan 8.210 nan 0.000 0.424 234 R N -0.135 120.374 120.500 0.015 0.000 2.115 234 R HA -0.063 4.278 4.340 0.001 0.000 0.226 234 R C 2.228 178.521 176.300 -0.012 0.000 1.100 234 R CA 1.448 57.559 56.100 0.019 0.000 0.980 234 R CB -0.473 29.847 30.300 0.033 0.000 0.875 234 R HN 0.279 nan 8.270 nan 0.000 0.445 235 T N 1.101 115.646 114.554 -0.016 0.000 2.777 235 T HA -0.124 4.227 4.350 0.001 0.000 0.266 235 T C 1.469 176.097 174.700 -0.121 0.000 1.040 235 T CA 1.280 63.365 62.100 -0.025 0.000 1.141 235 T CB -0.048 68.842 68.868 0.036 0.000 0.868 235 T HN 0.350 nan 8.240 nan 0.000 0.444 236 E N 0.816 120.905 120.200 -0.185 0.000 2.070 236 E HA -0.200 4.151 4.350 0.001 0.000 0.197 236 E C 2.283 178.382 176.600 -0.835 0.000 1.004 236 E CA 1.201 57.317 56.400 -0.473 0.000 0.805 236 E CB -0.131 29.335 29.700 -0.391 0.000 0.744 236 E HN 0.562 nan 8.360 nan 0.000 0.451 237 E N 0.530 120.471 120.200 -0.432 0.000 2.070 237 E HA -0.224 4.126 4.350 0.001 0.000 0.197 237 E C 2.022 178.559 176.600 -0.105 0.000 1.004 237 E CA 1.493 57.780 56.400 -0.189 0.000 0.805 237 E CB 0.030 29.770 29.700 0.067 0.000 0.744 237 E HN 0.066 nan 8.360 nan 0.000 0.451 238 S N 0.322 115.972 115.700 -0.082 0.000 2.382 238 S HA -0.125 4.345 4.470 0.001 0.000 0.228 238 S C 1.934 176.518 174.600 -0.027 0.000 1.027 238 S CA 1.086 59.276 58.200 -0.016 0.000 0.991 238 S CB -0.170 63.023 63.200 -0.012 0.000 0.823 238 S HN 0.303 nan 8.310 nan 0.000 0.469 239 I N 0.133 120.634 120.570 -0.116 0.000 2.233 239 I HA -0.146 4.024 4.170 0.001 0.000 0.243 239 I C 1.959 178.097 176.117 0.034 0.000 1.093 239 I CA 1.042 62.300 61.300 -0.070 0.000 1.380 239 I CB -0.451 37.480 38.000 -0.114 0.000 1.067 239 I HN 0.233 nan 8.210 nan 0.000 0.413 240 Y N 1.264 121.578 120.300 0.023 0.000 2.165 240 Y HA -0.191 4.360 4.550 0.001 0.000 0.286 240 Y C 2.450 178.356 175.900 0.009 0.000 1.155 240 Y CA 1.011 59.116 58.100 0.008 0.000 1.164 240 Y CB -0.955 37.519 38.460 0.023 0.000 0.978 240 Y HN 0.107 nan 8.280 nan 0.000 0.513 241 R N -0.309 120.309 120.500 0.196 0.000 2.310 241 R HA 0.229 4.569 4.340 0.001 0.000 0.202 241 R C 2.076 178.500 176.300 0.206 0.000 0.933 241 R CA 0.486 56.705 56.100 0.197 0.000 1.054 241 R CB -0.127 30.346 30.300 0.289 0.000 0.985 241 R HN 0.240 nan 8.270 nan 0.000 0.489 242 A N 0.696 123.590 122.820 0.123 0.000 2.066 242 A HA -0.029 4.291 4.320 0.001 0.000 0.218 242 A C 1.026 178.662 177.584 0.086 0.000 1.157 242 A CA 0.271 52.363 52.037 0.091 0.000 0.670 242 A CB -0.168 18.862 19.000 0.051 0.000 0.804 242 A HN 0.292 nan 8.150 nan 0.000 0.453 243 C N -0.279 119.068 119.300 0.078 0.000 2.745 243 C HA 0.356 4.816 4.460 0.001 0.000 0.387 243 C C 1.401 176.434 174.990 0.071 0.000 1.312 243 C CA -0.158 58.891 59.018 0.051 0.000 2.204 243 C CB 0.152 27.906 27.740 0.024 0.000 2.686 243 C HN 0.503 nan 8.230 nan 0.000 0.705 244 S N 1.503 117.235 115.700 0.054 0.000 2.416 244 S HA 0.610 5.080 4.470 0.001 0.000 0.287 244 S C -0.764 173.865 174.600 0.049 0.000 1.139 244 S CA -0.387 57.857 58.200 0.073 0.000 1.058 244 S CB -0.646 62.585 63.200 0.052 0.000 0.967 244 S HN 0.501 nan 8.310 nan 0.000 0.495 245 L N 5.755 127.023 121.223 0.074 0.000 2.350 245 L HA 0.640 4.981 4.340 0.001 0.000 0.260 245 L C -2.152 174.772 176.870 0.091 0.000 1.015 245 L CA -2.441 52.389 54.840 -0.016 0.000 0.821 245 L CB 2.092 43.977 42.059 -0.289 0.000 1.370 245 L HN 0.443 nan 8.230 nan 0.000 0.416 246 P HA 0.043 nan 4.420 nan 0.000 0.272 246 P C 0.179 177.602 177.300 0.204 0.000 1.223 246 P CA -0.220 62.952 63.100 0.121 0.000 0.784 246 P CB 1.102 32.854 31.700 0.087 0.000 0.923 247 E N 1.007 121.325 120.200 0.198 0.000 2.097 247 E HA -0.272 4.078 4.350 0.001 0.000 0.196 247 E C 1.699 178.406 176.600 0.177 0.000 1.000 247 E CA 1.434 57.955 56.400 0.202 0.000 0.804 247 E CB -0.028 29.730 29.700 0.096 0.000 0.740 247 E HN 0.585 nan 8.360 nan 0.000 0.454 248 E N -0.350 119.936 120.200 0.143 0.000 2.118 248 E HA -0.229 4.121 4.350 0.001 0.000 0.195 248 E C 1.884 178.578 176.600 0.156 0.000 0.992 248 E CA 1.024 57.512 56.400 0.146 0.000 0.804 248 E CB -0.142 29.678 29.700 0.200 0.000 0.741 248 E HN 0.369 nan 8.360 nan 0.000 0.458 249 A N 0.809 123.718 122.820 0.148 0.000 1.898 249 A HA -0.197 4.123 4.320 0.001 0.000 0.216 249 A C 1.952 179.558 177.584 0.036 0.000 1.181 249 A CA 1.462 53.558 52.037 0.098 0.000 0.620 249 A CB -0.800 18.211 19.000 0.019 0.000 0.819 249 A HN 0.377 nan 8.150 nan 0.000 0.442 250 H N -0.250 118.869 119.070 0.082 0.000 2.352 250 H HA -0.106 4.451 4.556 0.001 0.000 0.299 250 H C 2.322 177.690 175.328 0.067 0.000 1.097 250 H CA 2.012 58.105 56.048 0.074 0.000 1.311 250 H CB -0.559 29.229 29.762 0.043 0.000 1.377 250 H HN 0.469 nan 8.280 nan 0.000 0.504 251 T N 0.798 115.443 114.554 0.153 0.000 2.708 251 T HA -0.089 4.262 4.350 0.001 0.000 0.266 251 T C 2.324 177.023 174.700 -0.003 0.000 1.037 251 T CA 1.269 63.407 62.100 0.064 0.000 1.146 251 T CB -0.398 68.470 68.868 0.001 0.000 0.865 251 T HN 0.443 nan 8.240 nan 0.000 0.435 252 A N 0.792 123.557 122.820 -0.092 0.000 1.930 252 A HA 0.053 4.374 4.320 0.001 0.000 0.217 252 A C 2.265 179.808 177.584 -0.068 0.000 1.175 252 A CA 1.029 52.924 52.037 -0.237 0.000 0.627 252 A CB -0.687 18.041 19.000 -0.452 0.000 0.815 252 A HN 0.525 nan 8.150 nan 0.000 0.443 253 I N -1.512 119.090 120.570 0.054 0.000 2.353 253 I HA -0.197 3.974 4.170 0.001 0.000 0.248 253 I C 2.449 178.662 176.117 0.160 0.000 1.119 253 I CA 1.545 62.926 61.300 0.135 0.000 1.417 253 I CB -0.362 37.743 38.000 0.175 0.000 1.078 253 I HN 0.543 nan 8.210 nan 0.000 0.421 254 H N 0.207 119.317 119.070 0.067 0.000 2.353 254 H HA -0.165 4.392 4.556 0.001 0.000 0.300 254 H C 2.455 177.781 175.328 -0.004 0.000 1.090 254 H CA 2.030 58.109 56.048 0.052 0.000 1.327 254 H CB -0.023 29.766 29.762 0.044 0.000 1.383 254 H HN 0.141 nan 8.280 nan 0.000 0.508 255 S N -0.685 114.960 115.700 -0.092 0.000 2.356 255 S HA -0.100 4.370 4.470 0.001 0.000 0.223 255 S C 2.254 176.711 174.600 -0.238 0.000 1.032 255 S CA 1.291 59.377 58.200 -0.190 0.000 1.005 255 S CB -0.430 62.678 63.200 -0.153 0.000 0.867 255 S HN 0.478 nan 8.310 nan 0.000 0.449 256 L N 0.751 121.834 121.223 -0.233 0.000 2.083 256 L HA -0.110 4.231 4.340 0.001 0.000 0.209 256 L C 2.789 179.354 176.870 -0.508 0.000 1.083 256 L CA 1.599 56.192 54.840 -0.413 0.000 0.752 256 L CB -1.026 40.780 42.059 -0.422 0.000 0.899 256 L HN 0.347 nan 8.230 nan 0.000 0.433 257 T N -0.979 113.455 114.554 -0.199 0.000 2.674 257 T HA -0.162 4.189 4.350 0.001 0.000 0.265 257 T C 1.782 176.418 174.700 -0.107 0.000 1.039 257 T CA 1.243 63.340 62.100 -0.005 0.000 1.150 257 T CB -0.095 68.835 68.868 0.104 0.000 0.864 257 T HN 0.279 nan 8.240 nan 0.000 0.427 258 E N 0.798 120.858 120.200 -0.234 0.000 2.208 258 E HA 0.029 4.380 4.350 0.001 0.000 0.193 258 E C 2.274 178.794 176.600 -0.135 0.000 0.988 258 E CA 0.740 57.022 56.400 -0.197 0.000 0.828 258 E CB -0.043 29.473 29.700 -0.307 0.000 0.763 258 E HN 0.448 nan 8.360 nan 0.000 0.478 259 R N -0.659 119.740 120.500 -0.168 0.000 2.237 259 R HA 0.141 4.481 4.340 0.001 0.000 0.195 259 R C 1.703 177.925 176.300 -0.131 0.000 0.956 259 R CA 0.200 56.224 56.100 -0.127 0.000 1.029 259 R CB 0.400 30.620 30.300 -0.133 0.000 0.972 259 R HN 0.022 nan 8.270 nan 0.000 0.493 260 L N -2.244 118.861 121.223 -0.197 0.000 2.678 260 L HA 0.196 4.537 4.340 0.001 0.000 0.187 260 L C 1.186 178.025 176.870 -0.052 0.000 1.073 260 L CA 0.707 55.438 54.840 -0.183 0.000 0.883 260 L CB -0.213 41.654 42.059 -0.321 0.000 1.501 260 L HN -0.138 nan 8.230 nan 0.000 0.488 261 Y N 0.684 120.987 120.300 0.005 0.000 2.200 261 Y HA -0.058 4.492 4.550 0.001 0.000 0.290 261 Y C 2.619 178.518 175.900 -0.001 0.000 1.137 261 Y CA 1.625 59.740 58.100 0.026 0.000 1.163 261 Y CB -1.347 37.155 38.460 0.070 0.000 0.988 261 Y HN 0.197 nan 8.280 nan 0.000 0.518 262 V N -2.526 117.461 119.914 0.122 0.000 3.141 262 V HA 0.422 4.543 4.120 0.001 0.000 0.265 262 V C 0.962 177.060 176.094 0.006 0.000 1.126 262 V CA 0.949 63.282 62.300 0.054 0.000 1.141 262 V CB -0.924 30.917 31.823 0.030 0.000 0.743 262 V HN 0.418 nan 8.190 nan 0.000 0.492 263 G N -2.279 106.505 108.800 -0.027 0.000 2.356 263 G HA2 0.587 4.548 3.960 0.001 0.000 0.300 263 G HA3 0.587 4.548 3.960 0.001 0.000 0.300 263 G C -0.476 174.274 174.900 -0.249 0.000 1.331 263 G CA -0.051 44.976 45.100 -0.121 0.000 0.905 263 G HN 1.679 nan 8.290 nan 0.000 0.587 264 G N -0.933 107.453 108.800 -0.690 0.000 2.339 264 G HA2 0.668 4.628 3.960 0.001 0.000 0.302 264 G HA3 0.668 4.628 3.960 0.001 0.000 0.302 264 G C -3.500 170.681 174.900 -1.200 0.000 1.425 264 G CA 0.140 44.725 45.100 -0.858 0.000 0.899 264 G HN 0.857 nan 8.290 nan 0.000 0.619 265 P HA 0.407 nan 4.420 nan 0.000 0.275 265 P C -0.431 176.657 177.300 -0.353 0.000 1.227 265 P CA -0.018 62.823 63.100 -0.432 0.000 0.781 265 P CB 0.876 32.494 31.700 -0.137 0.000 0.906 266 M N 2.927 122.274 119.600 -0.422 0.000 2.364 266 M HA 0.467 4.948 4.480 0.001 0.000 0.334 266 M C -0.524 175.508 176.300 -0.447 0.000 1.107 266 M CA -0.466 54.671 55.300 -0.271 0.000 0.988 266 M CB 1.198 33.695 32.600 -0.171 0.000 1.673 266 M HN 0.166 nan 8.290 nan 0.000 0.441 267 F N 1.280 121.199 119.950 -0.051 0.000 2.522 267 F HA 0.430 4.957 4.527 0.001 0.000 0.324 267 F C 0.458 176.246 175.800 -0.021 0.000 1.077 267 F CA -1.018 56.967 58.000 -0.025 0.000 0.944 267 F CB 1.144 40.120 39.000 -0.039 0.000 1.175 267 F HN 0.592 nan 8.300 nan 0.000 0.468 268 N N -0.629 118.176 118.700 0.176 0.000 2.327 268 N HA 0.089 4.830 4.740 0.001 0.000 0.257 268 N C 0.873 176.444 175.510 0.101 0.000 1.281 268 N CA 0.006 53.125 53.050 0.115 0.000 0.942 268 N CB 0.090 38.633 38.487 0.094 0.000 1.199 268 N HN 0.552 nan 8.380 nan 0.000 0.532 269 S N -1.477 114.268 115.700 0.075 0.000 2.469 269 S HA -0.076 4.395 4.470 0.001 0.000 0.238 269 S C 0.994 175.620 174.600 0.043 0.000 0.998 269 S CA 0.503 58.737 58.200 0.058 0.000 0.957 269 S CB -0.309 62.929 63.200 0.063 0.000 0.764 269 S HN 0.511 nan 8.310 nan 0.000 0.514 270 K N 0.742 121.174 120.400 0.053 0.000 2.444 270 K HA 0.242 4.562 4.320 0.001 0.000 0.193 270 K C 1.462 178.088 176.600 0.043 0.000 1.024 270 K CA 0.642 56.953 56.287 0.042 0.000 1.077 270 K CB -0.327 32.200 32.500 0.046 0.000 0.833 270 K HN 0.605 nan 8.250 nan 0.000 0.517 271 G N 1.774 110.614 108.800 0.067 0.000 2.157 271 G HA2 -0.283 3.677 3.960 0.001 0.000 0.248 271 G HA3 -0.283 3.677 3.960 0.001 0.000 0.248 271 G C -0.169 174.856 174.900 0.208 0.000 0.979 271 G CA -0.043 45.097 45.100 0.067 0.000 0.650 271 G HN 0.396 nan 8.290 nan 0.000 0.529 272 Q N 0.842 120.765 119.800 0.204 0.000 2.293 272 Q HA 0.484 4.825 4.340 0.001 0.000 0.251 272 Q C 0.175 176.311 176.000 0.226 0.000 0.930 272 Q CA -0.004 55.918 55.803 0.199 0.000 0.893 272 Q CB 0.855 29.659 28.738 0.110 0.000 1.215 272 Q HN 0.206 nan 8.270 nan 0.000 0.425 273 T N 1.128 115.758 114.554 0.127 0.000 2.829 273 T HA -0.034 4.316 4.350 0.001 0.000 0.293 273 T C 0.482 175.113 174.700 -0.115 0.000 0.970 273 T CA -0.218 61.753 62.100 -0.215 0.000 1.168 273 T CB 0.394 69.149 68.868 -0.189 0.000 0.911 273 T HN 0.766 nan 8.240 nan 0.000 0.535 274 C N 3.257 122.461 119.300 -0.160 0.000 2.535 274 C HA 0.614 5.074 4.460 0.001 0.000 0.310 274 C C 1.337 176.362 174.990 0.058 0.000 1.344 274 C CA 0.833 59.867 59.018 0.027 0.000 1.831 274 C CB -0.856 26.938 27.740 0.090 0.000 2.284 274 C HN 1.085 nan 8.230 nan 0.000 0.523 275 G N -1.718 106.997 108.800 -0.141 0.000 2.341 275 G HA2 0.420 4.381 3.960 0.001 0.000 0.299 275 G HA3 0.420 4.381 3.960 0.001 0.000 0.299 275 G C -2.365 172.399 174.900 -0.227 0.000 1.274 275 G CA -0.232 44.724 45.100 -0.240 0.000 0.853 275 G HN 0.174 nan 8.290 nan 0.000 0.493 276 Y N 0.439 120.512 120.300 -0.378 0.000 2.421 276 Y HA 0.728 5.278 4.550 0.001 0.000 0.339 276 Y C 0.004 175.754 175.900 -0.251 0.000 0.996 276 Y CA -0.895 57.046 58.100 -0.265 0.000 1.046 276 Y CB 1.986 40.322 38.460 -0.208 0.000 1.226 276 Y HN 0.660 nan 8.280 nan 0.000 0.445 277 R N 5.002 125.276 120.500 -0.377 0.000 2.407 277 R HA 0.541 4.881 4.340 0.001 0.000 0.303 277 R C -0.670 175.477 176.300 -0.255 0.000 0.981 277 R CA -0.546 55.366 56.100 -0.313 0.000 0.905 277 R CB 0.837 31.004 30.300 -0.222 0.000 1.099 277 R HN 0.911 nan 8.270 nan 0.000 0.459 278 R N 3.447 123.770 120.500 -0.295 0.000 2.690 278 R HA 0.215 4.556 4.340 0.001 0.000 0.419 278 R C -0.607 175.551 176.300 -0.237 0.000 1.090 278 R CA -0.324 55.673 56.100 -0.172 0.000 1.064 278 R CB 0.412 30.655 30.300 -0.095 0.000 1.391 278 R HN 0.788 nan 8.270 nan 0.000 0.586 279 C N -1.985 117.131 119.300 -0.307 0.000 3.295 279 C HA 0.603 5.064 4.460 0.001 0.000 0.370 279 C C -0.206 174.715 174.990 -0.115 0.000 1.974 279 C CA -1.512 57.364 59.018 -0.237 0.000 1.282 279 C CB 1.062 28.585 27.740 -0.363 0.000 2.380 279 C HN 0.371 nan 8.230 nan 0.000 0.443 280 R N 1.277 121.756 120.500 -0.035 0.000 2.538 280 R HA 0.465 4.806 4.340 0.001 0.000 0.282 280 R C 0.099 176.451 176.300 0.087 0.000 1.009 280 R CA 0.972 57.107 56.100 0.059 0.000 1.063 280 R CB -0.143 30.233 30.300 0.125 0.000 0.945 280 R HN 1.187 nan 8.270 nan 0.000 0.414 281 A N 3.707 126.596 122.820 0.115 0.000 2.409 281 A HA 0.208 4.529 4.320 0.001 0.000 0.262 281 A C 0.959 178.643 177.584 0.167 0.000 1.113 281 A CA 0.088 52.215 52.037 0.150 0.000 0.790 281 A CB 0.382 19.481 19.000 0.165 0.000 1.046 281 A HN 1.016 nan 8.150 nan 0.000 0.496 282 S N 2.077 117.890 115.700 0.188 0.000 2.481 282 S HA 0.060 4.530 4.470 0.001 0.000 0.231 282 S C 1.108 175.805 174.600 0.161 0.000 0.996 282 S CA 0.755 59.062 58.200 0.178 0.000 0.942 282 S CB 0.092 63.405 63.200 0.189 0.000 0.768 282 S HN 1.243 nan 8.310 nan 0.000 0.520 283 G N 1.925 110.840 108.800 0.191 0.000 4.433 283 G HA2 0.516 4.476 3.960 0.001 0.000 0.304 283 G HA3 0.516 4.476 3.960 0.001 0.000 0.304 283 G C -0.090 174.926 174.900 0.194 0.000 1.254 283 G CA -0.172 45.041 45.100 0.188 0.000 0.999 283 G HN 0.494 nan 8.290 nan 0.000 0.576 284 V N -2.391 117.625 119.914 0.170 0.000 2.994 284 V HA 0.586 4.707 4.120 0.001 0.000 0.318 284 V C 1.459 177.620 176.094 0.112 0.000 1.085 284 V CA -0.939 61.478 62.300 0.195 0.000 0.998 284 V CB 1.738 33.750 31.823 0.315 0.000 1.063 284 V HN 0.064 nan 8.190 nan 0.000 0.447 285 L N 2.395 123.693 121.223 0.126 0.000 2.127 285 L HA -0.054 4.286 4.340 0.001 0.000 0.211 285 L C 2.271 179.129 176.870 -0.020 0.000 1.089 285 L CA 3.004 57.883 54.840 0.065 0.000 0.757 285 L CB -0.733 41.389 42.059 0.105 0.000 0.899 285 L HN 1.091 nan 8.230 nan 0.000 0.434 286 T N -5.930 108.549 114.554 -0.126 0.000 3.169 286 T HA 0.015 4.365 4.350 0.001 0.000 0.250 286 T C 1.551 176.195 174.700 -0.092 0.000 1.111 286 T CA 0.680 62.657 62.100 -0.204 0.000 1.010 286 T CB -0.682 67.887 68.868 -0.498 0.000 0.984 286 T HN 0.265 nan 8.240 nan 0.000 0.537 287 T N 2.188 116.723 114.554 -0.031 0.000 2.652 287 T HA -0.126 4.224 4.350 0.001 0.000 0.267 287 T C 2.285 177.026 174.700 0.068 0.000 1.039 287 T CA 1.853 63.977 62.100 0.040 0.000 1.153 287 T CB -0.549 68.362 68.868 0.071 0.000 0.863 287 T HN 0.471 nan 8.240 nan 0.000 0.428 288 S N 0.881 116.606 115.700 0.041 0.000 2.345 288 S HA 0.010 4.480 4.470 0.001 0.000 0.220 288 S C 2.080 176.769 174.600 0.149 0.000 1.031 288 S CA 1.269 59.514 58.200 0.076 0.000 0.996 288 S CB -0.403 62.748 63.200 -0.081 0.000 0.882 288 S HN 0.467 nan 8.310 nan 0.000 0.445 289 M N 1.515 121.171 119.600 0.094 0.000 2.108 289 M HA -0.093 4.387 4.480 0.001 0.000 0.261 289 M C 2.053 178.437 176.300 0.139 0.000 1.066 289 M CA 1.907 57.269 55.300 0.103 0.000 1.107 289 M CB -0.711 31.890 32.600 0.002 0.000 1.356 289 M HN 0.381 nan 8.290 nan 0.000 0.406 290 G N 0.327 109.210 108.800 0.138 0.000 2.421 290 G HA2 -0.258 3.702 3.960 0.001 0.000 0.216 290 G HA3 -0.258 3.702 3.960 0.001 0.000 0.216 290 G C 1.192 176.206 174.900 0.190 0.000 1.171 290 G CA 1.114 46.314 45.100 0.168 0.000 0.775 290 G HN 0.462 nan 8.290 nan 0.000 0.543 291 N N 0.379 119.193 118.700 0.190 0.000 2.120 291 N HA -0.075 4.666 4.740 0.001 0.000 0.188 291 N C 2.396 177.973 175.510 0.112 0.000 1.024 291 N CA 1.564 54.728 53.050 0.189 0.000 0.852 291 N CB -0.724 37.783 38.487 0.035 0.000 1.003 291 N HN 0.236 nan 8.380 nan 0.000 0.424 292 T N 1.476 116.115 114.554 0.142 0.000 2.708 292 T HA 0.004 4.355 4.350 0.001 0.000 0.266 292 T C 2.089 176.889 174.700 0.168 0.000 1.037 292 T CA 0.789 62.980 62.100 0.151 0.000 1.146 292 T CB -0.197 68.822 68.868 0.251 0.000 0.865 292 T HN 0.168 nan 8.240 nan 0.000 0.435 293 I N 0.942 121.603 120.570 0.151 0.000 2.202 293 I HA -0.162 4.009 4.170 0.001 0.000 0.242 293 I C 2.712 178.954 176.117 0.208 0.000 1.091 293 I CA 1.142 62.529 61.300 0.146 0.000 1.368 293 I CB -0.574 37.481 38.000 0.091 0.000 1.058 293 I HN 0.240 nan 8.210 nan 0.000 0.410 294 T N -0.337 114.349 114.554 0.220 0.000 2.821 294 T HA -0.205 4.145 4.350 0.001 0.000 0.267 294 T C 2.052 176.954 174.700 0.337 0.000 1.046 294 T CA 1.313 63.568 62.100 0.258 0.000 1.139 294 T CB -0.472 68.565 68.868 0.282 0.000 0.871 294 T HN 0.494 nan 8.240 nan 0.000 0.454 295 C N 0.743 120.282 119.300 0.397 0.000 2.429 295 C HA -0.102 4.358 4.460 0.001 0.000 0.277 295 C C 2.374 177.528 174.990 0.273 0.000 1.262 295 C CA 0.552 59.796 59.018 0.376 0.000 1.733 295 C CB -1.393 26.442 27.740 0.159 0.000 2.010 295 C HN 0.653 nan 8.230 nan 0.000 0.483 296 Y N 1.298 121.672 120.300 0.122 0.000 2.145 296 Y HA -0.113 4.438 4.550 0.001 0.000 0.286 296 Y C 2.246 178.184 175.900 0.064 0.000 1.145 296 Y CA 2.405 60.556 58.100 0.085 0.000 1.148 296 Y CB -0.511 37.982 38.460 0.055 0.000 0.981 296 Y HN 0.203 nan 8.280 nan 0.000 0.507 297 V N 0.819 120.760 119.914 0.045 0.000 2.295 297 V HA -0.324 3.797 4.120 0.001 0.000 0.246 297 V C 2.233 178.232 176.094 -0.158 0.000 1.049 297 V CA 2.413 64.622 62.300 -0.150 0.000 1.024 297 V CB -0.699 31.029 31.823 -0.159 0.000 0.648 297 V HN 0.325 nan 8.190 nan 0.000 0.447 298 K N 0.404 120.810 120.400 0.010 0.000 2.057 298 K HA -0.086 4.234 4.320 0.001 0.000 0.207 298 K C 2.329 178.992 176.600 0.103 0.000 1.049 298 K CA 1.489 57.817 56.287 0.068 0.000 0.931 298 K CB -0.434 32.181 32.500 0.191 0.000 0.714 298 K HN 0.471 nan 8.250 nan 0.000 0.440 299 A N 1.191 124.056 122.820 0.075 0.000 1.898 299 A HA -0.122 4.198 4.320 0.001 0.000 0.216 299 A C 2.081 179.734 177.584 0.114 0.000 1.181 299 A CA 1.023 53.145 52.037 0.141 0.000 0.620 299 A CB -0.457 18.673 19.000 0.217 0.000 0.819 299 A HN 0.214 nan 8.150 nan 0.000 0.442 300 L N -0.295 120.858 121.223 -0.117 0.000 2.093 300 L HA -0.006 4.334 4.340 0.001 0.000 0.208 300 L C 2.633 179.485 176.870 -0.029 0.000 1.085 300 L CA 1.984 56.728 54.840 -0.159 0.000 0.755 300 L CB -0.677 41.102 42.059 -0.468 0.000 0.904 300 L HN 0.336 nan 8.230 nan 0.000 0.435 301 A N -0.582 122.230 122.820 -0.012 0.000 1.898 301 A HA -0.066 4.255 4.320 0.001 0.000 0.216 301 A C 2.441 180.127 177.584 0.169 0.000 1.181 301 A CA 1.620 53.721 52.037 0.105 0.000 0.620 301 A CB -1.090 17.960 19.000 0.083 0.000 0.819 301 A HN 0.528 nan 8.150 nan 0.000 0.442 302 A N -0.943 121.989 122.820 0.187 0.000 1.933 302 A HA -0.155 4.165 4.320 0.001 0.000 0.218 302 A C 2.287 179.926 177.584 0.090 0.000 1.175 302 A CA 1.617 53.634 52.037 -0.033 0.000 0.628 302 A CB -1.290 17.388 19.000 -0.538 0.000 0.814 302 A HN 0.595 nan 8.150 nan 0.000 0.444 303 C N -0.540 118.924 119.300 0.273 0.000 2.413 303 C HA -0.124 4.336 4.460 0.001 0.000 0.276 303 C C 2.737 177.757 174.990 0.051 0.000 1.236 303 C CA 1.438 60.602 59.018 0.243 0.000 1.735 303 C CB -1.081 26.764 27.740 0.175 0.000 2.031 303 C HN 0.629 nan 8.230 nan 0.000 0.474 304 K N 1.030 121.419 120.400 -0.019 0.000 2.026 304 K HA -0.118 4.203 4.320 0.001 0.000 0.208 304 K C 2.256 178.614 176.600 -0.403 0.000 1.048 304 K CA 1.664 57.886 56.287 -0.108 0.000 0.929 304 K CB -0.366 32.142 32.500 0.014 0.000 0.713 304 K HN 0.482 nan 8.250 nan 0.000 0.439 305 A N 1.198 123.603 122.820 -0.693 0.000 1.972 305 A HA -0.071 4.249 4.320 0.001 0.000 0.219 305 A C 2.221 179.594 177.584 -0.352 0.000 1.169 305 A CA 1.781 53.274 52.037 -0.906 0.000 0.635 305 A CB -0.480 18.104 19.000 -0.693 0.000 0.810 305 A HN 0.343 nan 8.150 nan 0.000 0.446 306 A N -1.920 120.796 122.820 -0.172 0.000 2.178 306 A HA 0.413 4.733 4.320 0.001 0.000 0.211 306 A C 1.799 179.365 177.584 -0.029 0.000 1.157 306 A CA 1.193 53.199 52.037 -0.053 0.000 0.780 306 A CB -0.797 18.249 19.000 0.076 0.000 0.828 306 A HN 1.871 nan 8.150 nan 0.000 0.476 307 G N -0.375 108.400 108.800 -0.041 0.000 2.176 307 G HA2 -0.192 3.768 3.960 0.001 0.000 0.252 307 G HA3 -0.192 3.768 3.960 0.001 0.000 0.252 307 G C -0.004 174.903 174.900 0.011 0.000 1.024 307 G CA 0.111 45.204 45.100 -0.012 0.000 0.755 307 G HN 0.318 nan 8.290 nan 0.000 0.507 308 I N 1.125 121.715 120.570 0.033 0.000 2.598 308 I HA 0.155 4.325 4.170 0.001 0.000 0.284 308 I C 0.807 176.941 176.117 0.028 0.000 1.140 308 I CA -0.452 60.874 61.300 0.044 0.000 1.420 308 I CB 0.401 38.450 38.000 0.082 0.000 1.387 308 I HN -0.026 nan 8.210 nan 0.000 0.553 309 I N 5.365 125.945 120.570 0.016 0.000 2.336 309 I HA 0.253 4.423 4.170 0.001 0.000 0.292 309 I C 0.933 177.046 176.117 -0.006 0.000 0.991 309 I CA -0.702 60.601 61.300 0.005 0.000 1.227 309 I CB 0.802 38.801 38.000 -0.001 0.000 1.366 309 I HN 0.757 nan 8.210 nan 0.000 0.466 310 A N 7.203 130.022 122.820 -0.002 0.000 2.519 310 A HA -0.113 4.207 4.320 0.001 0.000 0.297 310 A C -2.204 175.371 177.584 -0.015 0.000 1.472 310 A CA -0.320 51.711 52.037 -0.010 0.000 0.739 310 A CB -1.888 17.096 19.000 -0.026 0.000 1.096 310 A HN 0.521 nan 8.150 nan 0.000 0.414 311 P HA 0.351 nan 4.420 nan 0.000 0.276 311 P C -0.176 177.129 177.300 0.008 0.000 1.230 311 P CA 0.416 63.510 63.100 -0.009 0.000 0.776 311 P CB 0.993 32.695 31.700 0.004 0.000 0.888 312 T N 4.769 119.323 114.554 -0.001 0.000 2.791 312 T HA 0.490 4.840 4.350 0.001 0.000 0.288 312 T C 0.250 175.015 174.700 0.108 0.000 0.999 312 T CA -0.353 61.778 62.100 0.053 0.000 0.952 312 T CB 0.371 69.223 68.868 -0.028 0.000 0.938 312 T HN 0.288 nan 8.240 nan 0.000 0.444 313 M N 3.292 123.011 119.600 0.198 0.000 2.508 313 M HA 0.584 5.065 4.480 0.001 0.000 0.327 313 M C -1.131 175.301 176.300 0.221 0.000 1.160 313 M CA -1.141 54.256 55.300 0.161 0.000 0.980 313 M CB 2.014 34.702 32.600 0.146 0.000 1.693 313 M HN 0.308 nan 8.290 nan 0.000 0.452 314 L N 3.194 124.466 121.223 0.080 0.000 2.343 314 L HA 0.603 4.943 4.340 0.001 0.000 0.278 314 L C -1.368 175.429 176.870 -0.121 0.000 0.996 314 L CA -0.475 54.292 54.840 -0.122 0.000 0.831 314 L CB 1.618 43.575 42.059 -0.169 0.000 1.232 314 L HN 0.479 nan 8.230 nan 0.000 0.413 315 V N 4.217 124.047 119.914 -0.140 0.000 2.409 315 V HA 0.437 4.557 4.120 0.001 0.000 0.291 315 V C -0.568 175.340 176.094 -0.310 0.000 1.020 315 V CA -0.457 61.774 62.300 -0.115 0.000 0.848 315 V CB 1.449 33.302 31.823 0.050 0.000 0.990 315 V HN 0.851 nan 8.190 nan 0.000 0.430 316 C N 4.974 124.033 119.300 -0.402 0.000 2.521 316 C HA 0.761 5.222 4.460 0.001 0.000 0.291 316 C C 1.267 176.063 174.990 -0.323 0.000 1.074 316 C CA -0.007 58.513 59.018 -0.830 0.000 1.495 316 C CB -0.499 26.619 27.740 -1.037 0.000 1.862 316 C HN 1.364 nan 8.230 nan 0.000 0.418 317 G N 4.259 113.070 108.800 0.019 0.000 2.591 317 G HA2 -0.298 3.662 3.960 0.001 0.000 0.298 317 G HA3 -0.298 3.662 3.960 0.001 0.000 0.298 317 G C 0.789 175.564 174.900 -0.208 0.000 1.195 317 G CA 0.858 46.016 45.100 0.096 0.000 0.989 317 G HN 0.686 nan 8.290 nan 0.000 0.551 318 D N 1.288 121.477 120.400 -0.351 0.000 2.349 318 D HA 0.063 4.704 4.640 0.001 0.000 0.224 318 D C 0.447 176.595 176.300 -0.253 0.000 1.029 318 D CA 0.865 54.440 54.000 -0.708 0.000 0.879 318 D CB -0.115 40.276 40.800 -0.681 0.000 0.906 318 D HN 0.436 nan 8.370 nan 0.000 0.528 319 D N 0.707 121.023 120.400 -0.140 0.000 2.277 319 D HA 0.291 4.932 4.640 0.001 0.000 0.249 319 D C -0.972 175.296 176.300 -0.053 0.000 1.134 319 D CA -0.529 53.431 54.000 -0.066 0.000 0.863 319 D CB 1.218 41.964 40.800 -0.089 0.000 1.143 319 D HN 0.028 nan 8.370 nan 0.000 0.458 320 L N 4.676 125.917 121.223 0.030 0.000 2.409 320 L HA 0.453 4.793 4.340 0.001 0.000 0.272 320 L C -1.681 175.188 176.870 -0.001 0.000 0.980 320 L CA -0.595 54.273 54.840 0.046 0.000 0.826 320 L CB 1.988 44.153 42.059 0.176 0.000 1.268 320 L HN 0.121 nan 8.230 nan 0.000 0.407 321 V N 5.274 125.141 119.914 -0.078 0.000 2.604 321 V HA 0.681 4.802 4.120 0.001 0.000 0.305 321 V C -0.792 175.151 176.094 -0.253 0.000 1.043 321 V CA -0.662 61.539 62.300 -0.165 0.000 0.888 321 V CB 2.128 33.894 31.823 -0.094 0.000 0.995 321 V HN 0.526 nan 8.190 nan 0.000 0.429 322 V N 5.937 125.514 119.914 -0.561 0.000 2.483 322 V HA 0.548 4.668 4.120 0.001 0.000 0.297 322 V C -0.406 175.441 176.094 -0.413 0.000 1.027 322 V CA -0.405 61.556 62.300 -0.565 0.000 0.855 322 V CB 1.796 33.030 31.823 -0.982 0.000 0.995 322 V HN 0.686 nan 8.190 nan 0.000 0.424 323 I N 4.668 125.145 120.570 -0.156 0.000 2.404 323 I HA 0.717 4.887 4.170 0.001 0.000 0.293 323 I C 0.272 176.339 176.117 -0.084 0.000 0.992 323 I CA 0.112 61.380 61.300 -0.054 0.000 1.149 323 I CB 1.977 40.012 38.000 0.058 0.000 1.315 323 I HN 0.838 nan 8.210 nan 0.000 0.446 324 S N 4.244 119.889 115.700 -0.092 0.000 2.776 324 S HA 0.476 4.946 4.470 0.001 0.000 0.292 324 S C -1.061 173.477 174.600 -0.104 0.000 1.187 324 S CA -1.065 57.089 58.200 -0.078 0.000 0.834 324 S CB 1.884 65.068 63.200 -0.027 0.000 1.199 324 S HN 0.430 nan 8.310 nan 0.000 0.514 325 E N 1.923 122.078 120.200 -0.074 0.000 2.180 325 E HA 0.262 4.612 4.350 0.001 0.000 0.283 325 E C -0.159 176.422 176.600 -0.032 0.000 1.061 325 E CA 0.005 56.361 56.400 -0.074 0.000 0.861 325 E CB 1.437 31.102 29.700 -0.057 0.000 1.056 325 E HN 0.581 nan 8.360 nan 0.000 0.407 326 S N 2.857 118.547 115.700 -0.017 0.000 2.552 326 S HA -0.050 4.420 4.470 0.001 0.000 0.289 326 S C 0.753 175.368 174.600 0.025 0.000 1.304 326 S CA -0.065 58.168 58.200 0.055 0.000 1.063 326 S CB 0.370 63.652 63.200 0.136 0.000 0.848 326 S HN 0.291 nan 8.310 nan 0.000 0.499 327 Q N 2.550 122.371 119.800 0.035 0.000 2.198 327 Q HA 0.299 4.640 4.340 0.001 0.000 0.209 327 Q C 0.803 176.811 176.000 0.014 0.000 0.848 327 Q CA 0.545 56.357 55.803 0.015 0.000 0.974 327 Q CB 0.371 29.117 28.738 0.013 0.000 1.115 327 Q HN 1.014 nan 8.270 nan 0.000 0.494 328 G N -0.372 108.441 108.800 0.022 0.000 2.539 328 G HA2 -0.184 3.776 3.960 0.001 0.000 0.686 328 G HA3 -0.184 3.776 3.960 0.001 0.000 0.686 328 G C 0.422 175.340 174.900 0.030 0.000 1.258 328 G CA -0.285 44.816 45.100 0.003 0.000 0.846 328 G HN -0.025 nan 8.290 nan 0.000 0.647 329 T N 0.632 115.183 114.554 -0.004 0.000 2.674 329 T HA -0.081 4.270 4.350 0.001 0.000 0.265 329 T C 2.217 176.950 174.700 0.055 0.000 1.039 329 T CA 2.119 64.238 62.100 0.032 0.000 1.150 329 T CB -0.206 68.640 68.868 -0.036 0.000 0.864 329 T HN 0.581 nan 8.240 nan 0.000 0.427 330 E N 1.095 121.309 120.200 0.023 0.000 2.110 330 E HA -0.114 4.237 4.350 0.001 0.000 0.193 330 E C 2.264 178.876 176.600 0.020 0.000 0.988 330 E CA 1.068 57.480 56.400 0.019 0.000 0.804 330 E CB -0.276 29.428 29.700 0.007 0.000 0.745 330 E HN 0.537 nan 8.360 nan 0.000 0.458 331 E N 1.029 121.241 120.200 0.020 0.000 2.072 331 E HA -0.138 4.213 4.350 0.001 0.000 0.191 331 E C 1.745 178.356 176.600 0.020 0.000 0.985 331 E CA 1.101 57.510 56.400 0.016 0.000 0.801 331 E CB -0.135 29.573 29.700 0.013 0.000 0.750 331 E HN 0.180 nan 8.360 nan 0.000 0.452 332 D N 0.615 121.042 120.400 0.045 0.000 2.123 332 D HA -0.161 4.480 4.640 0.001 0.000 0.196 332 D C 1.691 177.991 176.300 -0.000 0.000 0.992 332 D CA 1.039 55.065 54.000 0.042 0.000 0.833 332 D CB -0.178 40.696 40.800 0.123 0.000 0.954 332 D HN 0.298 nan 8.370 nan 0.000 0.455 333 E N 0.235 120.446 120.200 0.018 0.000 2.077 333 E HA -0.168 4.182 4.350 0.001 0.000 0.193 333 E C 2.175 178.762 176.600 -0.022 0.000 0.989 333 E CA 0.646 57.043 56.400 -0.006 0.000 0.800 333 E CB 0.017 29.726 29.700 0.015 0.000 0.746 333 E HN 0.142 nan 8.360 nan 0.000 0.452 334 R N 0.884 121.377 120.500 -0.011 0.000 2.081 334 R HA -0.133 4.208 4.340 0.001 0.000 0.235 334 R C 1.769 178.056 176.300 -0.022 0.000 1.131 334 R CA 1.563 57.654 56.100 -0.014 0.000 0.960 334 R CB 0.001 30.297 30.300 -0.007 0.000 0.856 334 R HN 0.084 nan 8.270 nan 0.000 0.436 335 N N 0.549 119.234 118.700 -0.025 0.000 2.188 335 N HA -0.134 4.607 4.740 0.001 0.000 0.184 335 N C 1.581 177.062 175.510 -0.049 0.000 1.018 335 N CA 0.872 53.906 53.050 -0.026 0.000 0.858 335 N CB -0.187 38.289 38.487 -0.018 0.000 0.989 335 N HN 0.157 nan 8.380 nan 0.000 0.426 336 L N 1.271 122.422 121.223 -0.120 0.000 2.093 336 L HA -0.003 4.337 4.340 0.001 0.000 0.208 336 L C 2.238 179.069 176.870 -0.065 0.000 1.085 336 L CA 1.229 55.931 54.840 -0.230 0.000 0.755 336 L CB -0.253 41.586 42.059 -0.367 0.000 0.904 336 L HN 0.076 nan 8.230 nan 0.000 0.435 337 R N -1.113 119.364 120.500 -0.039 0.000 2.081 337 R HA -0.109 4.232 4.340 0.001 0.000 0.235 337 R C 2.247 178.543 176.300 -0.006 0.000 1.131 337 R CA 1.236 57.330 56.100 -0.010 0.000 0.960 337 R CB -0.552 29.738 30.300 -0.017 0.000 0.856 337 R HN 0.381 nan 8.270 nan 0.000 0.436 338 A N 0.836 123.649 122.820 -0.011 0.000 1.902 338 A HA -0.190 4.130 4.320 0.001 0.000 0.217 338 A C 1.949 179.509 177.584 -0.039 0.000 1.181 338 A CA 1.048 53.066 52.037 -0.032 0.000 0.623 338 A CB -0.619 18.363 19.000 -0.031 0.000 0.818 338 A HN 0.375 nan 8.150 nan 0.000 0.443 339 F N 1.370 121.234 119.950 -0.143 0.000 2.095 339 F HA -0.175 4.352 4.527 0.001 0.000 0.298 339 F C 2.428 178.129 175.800 -0.165 0.000 1.104 339 F CA 2.352 60.257 58.000 -0.160 0.000 1.232 339 F CB -0.574 38.318 39.000 -0.180 0.000 0.987 339 F HN 0.201 nan 8.300 nan 0.000 0.475 340 T N 0.162 114.734 114.554 0.030 0.000 2.746 340 T HA -0.180 4.171 4.350 0.001 0.000 0.267 340 T C 1.685 176.326 174.700 -0.098 0.000 1.039 340 T CA 1.736 63.864 62.100 0.046 0.000 1.142 340 T CB -0.327 68.658 68.868 0.194 0.000 0.866 340 T HN 0.403 nan 8.240 nan 0.000 0.444 341 E N 1.184 121.317 120.200 -0.112 0.000 2.051 341 E HA -0.080 4.270 4.350 0.001 0.000 0.192 341 E C 2.581 179.022 176.600 -0.265 0.000 0.991 341 E CA 1.047 57.361 56.400 -0.143 0.000 0.799 341 E CB -0.244 29.392 29.700 -0.107 0.000 0.748 341 E HN 0.475 nan 8.360 nan 0.000 0.449 342 A N 1.291 123.886 122.820 -0.375 0.000 1.877 342 A HA -0.194 4.127 4.320 0.001 0.000 0.216 342 A C 2.176 179.257 177.584 -0.839 0.000 1.186 342 A CA 1.342 53.002 52.037 -0.628 0.000 0.620 342 A CB -0.335 18.312 19.000 -0.589 0.000 0.822 342 A HN 0.121 nan 8.150 nan 0.000 0.443 343 M N -0.387 118.822 119.600 -0.652 0.000 2.159 343 M HA -0.105 4.376 4.480 0.001 0.000 0.263 343 M C 2.186 178.365 176.300 -0.202 0.000 1.063 343 M CA 1.938 56.974 55.300 -0.441 0.000 1.110 343 M CB -1.842 30.395 32.600 -0.605 0.000 1.374 343 M HN 0.456 nan 8.290 nan 0.000 0.411 344 T N 0.219 114.667 114.554 -0.177 0.000 2.708 344 T HA -0.124 4.227 4.350 0.001 0.000 0.266 344 T C 1.944 176.581 174.700 -0.106 0.000 1.037 344 T CA 1.174 63.223 62.100 -0.085 0.000 1.146 344 T CB -0.194 68.633 68.868 -0.067 0.000 0.865 344 T HN 0.385 nan 8.240 nan 0.000 0.435 345 R N 0.043 120.420 120.500 -0.204 0.000 2.127 345 R HA -0.081 4.260 4.340 0.001 0.000 0.238 345 R C 1.828 178.100 176.300 -0.047 0.000 1.134 345 R CA 1.199 57.200 56.100 -0.165 0.000 0.975 345 R CB -0.325 29.824 30.300 -0.251 0.000 0.865 345 R HN 0.425 nan 8.270 nan 0.000 0.447 346 Y N 0.179 120.422 120.300 -0.096 0.000 2.578 346 Y HA 0.076 4.626 4.550 0.001 0.000 0.297 346 Y C 0.851 176.694 175.900 -0.094 0.000 1.176 346 Y CA -0.282 57.749 58.100 -0.115 0.000 1.315 346 Y CB -0.270 38.139 38.460 -0.084 0.000 1.031 346 Y HN -0.032 nan 8.280 nan 0.000 0.524 347 S N -0.086 115.655 115.700 0.067 0.000 3.978 347 S HA -0.050 4.421 4.470 0.001 0.000 0.402 347 S C -0.163 174.450 174.600 0.022 0.000 0.927 347 S CA 0.440 58.662 58.200 0.037 0.000 1.197 347 S CB -1.427 61.783 63.200 0.017 0.000 0.855 347 S HN 0.741 nan 8.310 nan 0.000 0.524 348 A N 2.008 124.859 122.820 0.052 0.000 3.399 348 A HA 0.606 4.926 4.320 0.001 0.000 0.262 348 A C -2.854 174.850 177.584 0.200 0.000 1.145 348 A CA -0.839 51.260 52.037 0.103 0.000 0.916 348 A CB 0.790 19.884 19.000 0.157 0.000 1.360 348 A HN 0.392 nan 8.150 nan 0.000 0.628 349 P HA 0.339 nan 4.420 nan 0.000 0.274 349 P C -2.737 174.604 177.300 0.068 0.000 1.231 349 P CA -1.142 62.003 63.100 0.075 0.000 0.790 349 P CB 0.380 32.050 31.700 -0.051 0.000 0.951 350 P HA 0.096 nan 4.420 nan 0.000 0.277 350 P C 0.557 177.775 177.300 -0.137 0.000 1.240 350 P CA 0.034 63.009 63.100 -0.208 0.000 0.798 350 P CB 1.016 32.591 31.700 -0.208 0.000 0.979 351 G N 2.160 110.873 108.800 -0.146 0.000 2.670 351 G HA2 -0.017 3.944 3.960 0.001 0.000 0.215 351 G HA3 -0.017 3.944 3.960 0.001 0.000 0.215 351 G C -0.108 174.740 174.900 -0.088 0.000 1.359 351 G CA 0.177 45.224 45.100 -0.088 0.000 0.897 351 G HN 0.489 nan 8.290 nan 0.000 0.552 352 D N 2.018 122.366 120.400 -0.088 0.000 2.264 352 D HA 0.350 4.991 4.640 0.001 0.000 0.250 352 D C -2.351 173.895 176.300 -0.089 0.000 1.113 352 D CA -0.989 52.969 54.000 -0.069 0.000 0.871 352 D CB 1.474 42.246 40.800 -0.046 0.000 1.167 352 D HN -0.000 nan 8.370 nan 0.000 0.447 353 P HA 0.121 nan 4.420 nan 0.000 0.268 353 P C -2.237 175.050 177.300 -0.021 0.000 1.205 353 P CA -0.882 62.193 63.100 -0.041 0.000 0.771 353 P CB -0.167 31.522 31.700 -0.018 0.000 0.858 354 P HA 0.187 nan 4.420 nan 0.000 0.271 354 P C -0.616 176.673 177.300 -0.019 0.000 1.233 354 P CA -0.033 63.092 63.100 0.041 0.000 0.789 354 P CB 0.898 32.639 31.700 0.068 0.000 0.951 355 R N 1.381 121.885 120.500 0.006 0.000 2.564 355 R HA 0.466 4.806 4.340 0.001 0.000 0.284 355 R C -2.803 173.491 176.300 -0.011 0.000 1.031 355 R CA -2.080 54.014 56.100 -0.009 0.000 0.904 355 R CB 1.675 31.982 30.300 0.012 0.000 1.199 355 R HN 0.231 nan 8.270 nan 0.000 0.443 356 P HA 0.070 nan 4.420 nan 0.000 0.267 356 P C -1.173 175.969 177.300 -0.264 0.000 1.205 356 P CA 0.114 63.120 63.100 -0.157 0.000 0.765 356 P CB 0.756 32.374 31.700 -0.137 0.000 0.828 357 E N 2.331 122.331 120.200 -0.334 0.000 2.222 357 E HA 0.230 4.581 4.350 0.001 0.000 0.267 357 E C -0.548 175.869 176.600 -0.305 0.000 0.884 357 E CA -0.385 55.879 56.400 -0.228 0.000 0.764 357 E CB 1.489 31.152 29.700 -0.062 0.000 1.169 357 E HN 0.445 nan 8.360 nan 0.000 0.413 358 Y N -0.103 120.325 120.300 0.213 0.000 2.641 358 Y HA 0.182 4.733 4.550 0.001 0.000 0.248 358 Y C 0.157 176.269 175.900 0.354 0.000 1.170 358 Y CA -0.406 57.887 58.100 0.322 0.000 1.201 358 Y CB 1.082 39.643 38.460 0.169 0.000 1.232 358 Y HN 0.266 nan 8.280 nan 0.000 0.537 359 D N 0.475 120.996 120.400 0.201 0.000 2.620 359 D HA 0.113 4.753 4.640 0.001 0.000 0.252 359 D C 0.425 176.490 176.300 -0.392 0.000 1.207 359 D CA -0.297 53.689 54.000 -0.025 0.000 0.884 359 D CB 2.039 42.828 40.800 -0.018 0.000 1.262 359 D HN 0.153 nan 8.370 nan 0.000 0.552 360 L N 4.304 125.048 121.223 -0.798 0.000 2.191 360 L HA 0.010 4.351 4.340 0.001 0.000 0.212 360 L C 1.864 178.422 176.870 -0.520 0.000 1.103 360 L CA 1.777 55.996 54.840 -1.034 0.000 0.769 360 L CB -0.356 40.866 42.059 -1.394 0.000 0.908 360 L HN 0.608 nan 8.230 nan 0.000 0.438 361 E N -0.746 119.233 120.200 -0.369 0.000 2.204 361 E HA -0.187 4.164 4.350 0.001 0.000 0.195 361 E C 1.858 178.295 176.600 -0.272 0.000 0.990 361 E CA 0.913 57.151 56.400 -0.271 0.000 0.821 361 E CB -0.048 29.509 29.700 -0.237 0.000 0.750 361 E HN 0.588 nan 8.360 nan 0.000 0.477 362 L N 0.810 121.864 121.223 -0.282 0.000 2.592 362 L HA 0.227 4.567 4.340 0.001 0.000 0.227 362 L C 0.578 177.365 176.870 -0.139 0.000 1.127 362 L CA -0.196 54.516 54.840 -0.213 0.000 0.884 362 L CB 0.304 42.251 42.059 -0.187 0.000 1.065 362 L HN 0.070 nan 8.230 nan 0.000 0.457 363 I N 0.978 121.439 120.570 -0.181 0.000 2.371 363 I HA 0.068 4.238 4.170 0.001 0.000 0.290 363 I C 0.612 176.670 176.117 -0.098 0.000 1.028 363 I CA -0.024 61.194 61.300 -0.136 0.000 1.345 363 I CB 1.415 39.304 38.000 -0.185 0.000 1.407 363 I HN 0.082 nan 8.210 nan 0.000 0.501 364 T N 2.054 116.574 114.554 -0.056 0.000 2.794 364 T HA 0.458 4.809 4.350 0.001 0.000 0.280 364 T C -0.319 174.359 174.700 -0.038 0.000 0.987 364 T CA -0.727 61.351 62.100 -0.037 0.000 0.993 364 T CB 1.643 70.501 68.868 -0.016 0.000 0.939 364 T HN 0.512 nan 8.240 nan 0.000 0.449 365 S N 2.426 118.100 115.700 -0.044 0.000 2.552 365 S HA 0.425 4.895 4.470 0.001 0.000 0.314 365 S C 0.413 174.977 174.600 -0.060 0.000 1.099 365 S CA -0.588 57.574 58.200 -0.064 0.000 1.070 365 S CB -0.357 62.790 63.200 -0.089 0.000 0.998 365 S HN 1.234 nan 8.310 nan 0.000 0.474 366 C N 3.936 123.200 119.300 -0.061 0.000 4.028 366 C HA -0.158 4.303 4.460 0.001 0.000 0.300 366 C C 1.382 176.382 174.990 0.017 0.000 1.399 366 C CA 0.718 59.712 59.018 -0.040 0.000 2.051 366 C CB -3.309 24.366 27.740 -0.108 0.000 1.318 366 C HN 1.375 nan 8.230 nan 0.000 0.696 367 S N -2.341 113.370 115.700 0.018 0.000 2.981 367 S HA -0.206 4.265 4.470 0.001 0.000 0.274 367 S C 0.407 175.029 174.600 0.036 0.000 1.297 367 S CA 1.476 59.692 58.200 0.027 0.000 1.266 367 S CB -0.781 62.446 63.200 0.044 0.000 1.542 367 S HN 1.005 nan 8.310 nan 0.000 0.674 368 S N 2.213 117.945 115.700 0.053 0.000 2.664 368 S HA 0.756 5.227 4.470 0.001 0.000 0.304 368 S C -0.178 174.442 174.600 0.033 0.000 1.099 368 S CA -0.785 57.472 58.200 0.096 0.000 1.003 368 S CB 1.552 64.863 63.200 0.185 0.000 1.092 368 S HN 0.621 nan 8.310 nan 0.000 0.525 369 N N -0.749 117.969 118.700 0.031 0.000 2.494 369 N HA 0.368 5.109 4.740 0.001 0.000 0.270 369 N C -1.621 173.845 175.510 -0.073 0.000 1.285 369 N CA -0.617 52.411 53.050 -0.037 0.000 0.812 369 N CB 0.985 39.446 38.487 -0.043 0.000 1.557 369 N HN 0.307 nan 8.380 nan 0.000 0.487 370 V N 0.569 120.407 119.914 -0.126 0.000 2.583 370 V HA 0.398 4.518 4.120 0.001 0.000 0.287 370 V C 0.558 176.537 176.094 -0.191 0.000 1.051 370 V CA 0.056 62.260 62.300 -0.160 0.000 1.010 370 V CB 0.802 32.535 31.823 -0.150 0.000 0.988 370 V HN 0.854 nan 8.190 nan 0.000 0.478 371 S N 3.114 118.608 115.700 -0.343 0.000 2.851 371 S HA 0.834 5.304 4.470 0.001 0.000 0.313 371 S C -1.262 173.242 174.600 -0.160 0.000 1.163 371 S CA -0.478 57.572 58.200 -0.250 0.000 0.850 371 S CB 2.073 65.133 63.200 -0.234 0.000 1.245 371 S HN 0.619 nan 8.310 nan 0.000 0.558 372 V N 0.682 120.609 119.914 0.021 0.000 2.925 372 V HA 0.952 5.072 4.120 0.001 0.000 0.311 372 V C -0.425 175.684 176.094 0.026 0.000 1.104 372 V CA 0.281 62.541 62.300 -0.068 0.000 0.954 372 V CB 1.351 32.975 31.823 -0.332 0.000 1.022 372 V HN 1.297 nan 8.190 nan 0.000 0.427 373 A N 5.205 127.933 122.820 -0.153 0.000 2.525 373 A HA 0.933 5.253 4.320 0.001 0.000 0.291 373 A C -1.717 175.603 177.584 -0.440 0.000 1.268 373 A CA -0.806 51.001 52.037 -0.384 0.000 0.712 373 A CB 1.481 20.018 19.000 -0.771 0.000 1.320 373 A HN 0.812 nan 8.150 nan 0.000 0.456 374 L N 0.485 121.340 121.223 -0.614 0.000 2.334 374 L HA 0.626 4.967 4.340 0.001 0.000 0.276 374 L C 0.950 177.471 176.870 -0.582 0.000 1.014 374 L CA -0.747 53.741 54.840 -0.587 0.000 0.815 374 L CB 1.810 43.465 42.059 -0.674 0.000 1.268 374 L HN 0.932 nan 8.230 nan 0.000 0.428 375 G N 1.127 109.763 108.800 -0.274 0.000 2.543 375 G HA2 0.325 4.285 3.960 0.001 0.000 0.290 375 G HA3 0.325 4.285 3.960 0.001 0.000 0.290 375 G C -2.000 172.938 174.900 0.063 0.000 1.310 375 G CA -0.937 44.096 45.100 -0.112 0.000 1.025 375 G HN 0.449 nan 8.290 nan 0.000 0.502 376 P HA -0.046 nan 4.420 nan 0.000 0.219 376 P C 1.086 178.434 177.300 0.080 0.000 1.146 376 P CA 1.191 64.349 63.100 0.098 0.000 0.808 376 P CB 0.249 31.982 31.700 0.055 0.000 0.779 377 Q N -1.689 118.145 119.800 0.058 0.000 2.188 377 Q HA 0.376 4.717 4.340 0.001 0.000 0.212 377 Q C 0.836 176.863 176.000 0.044 0.000 0.846 377 Q CA 0.285 56.112 55.803 0.042 0.000 0.989 377 Q CB 0.044 28.796 28.738 0.024 0.000 1.114 377 Q HN 0.161 nan 8.270 nan 0.000 0.488 378 G N 1.412 110.254 108.800 0.071 0.000 2.143 378 G HA2 -0.304 3.657 3.960 0.001 0.000 0.249 378 G HA3 -0.304 3.657 3.960 0.001 0.000 0.249 378 G C 0.023 174.911 174.900 -0.020 0.000 0.981 378 G CA -0.175 44.953 45.100 0.048 0.000 0.665 378 G HN 0.240 nan 8.290 nan 0.000 0.528 379 R N -0.089 120.389 120.500 -0.036 0.000 2.500 379 R HA 0.547 4.888 4.340 0.001 0.000 0.275 379 R C 0.787 177.019 176.300 -0.113 0.000 1.051 379 R CA -0.781 55.288 56.100 -0.052 0.000 1.088 379 R CB 0.728 31.013 30.300 -0.026 0.000 1.063 379 R HN 0.243 nan 8.270 nan 0.000 0.511 380 R N 1.788 122.214 120.500 -0.124 0.000 2.537 380 R HA 0.104 4.445 4.340 0.001 0.000 0.280 380 R C -0.125 176.022 176.300 -0.254 0.000 1.058 380 R CA 0.240 56.201 56.100 -0.232 0.000 1.057 380 R CB 0.475 30.632 30.300 -0.238 0.000 0.973 380 R HN 0.214 nan 8.270 nan 0.000 0.438 381 R N 3.009 123.302 120.500 -0.345 0.000 2.532 381 R HA 0.254 4.594 4.340 0.001 0.000 0.297 381 R C -1.174 174.971 176.300 -0.257 0.000 0.984 381 R CA -0.912 55.058 56.100 -0.216 0.000 0.884 381 R CB 1.292 31.507 30.300 -0.142 0.000 1.182 381 R HN 0.501 nan 8.270 nan 0.000 0.442 382 Y N 2.582 122.926 120.300 0.072 0.000 2.376 382 Y HA 0.471 5.021 4.550 0.001 0.000 0.325 382 Y C 0.343 176.355 175.900 0.187 0.000 1.199 382 Y CA -0.312 57.843 58.100 0.091 0.000 1.206 382 Y CB 1.145 39.604 38.460 -0.002 0.000 1.229 382 Y HN 0.555 nan 8.280 nan 0.000 0.480 383 Y N -0.335 120.052 120.300 0.146 0.000 2.677 383 Y HA 0.630 5.180 4.550 0.001 0.000 0.334 383 Y C -2.390 173.586 175.900 0.126 0.000 1.196 383 Y CA -1.864 56.297 58.100 0.102 0.000 1.059 383 Y CB 0.549 39.036 38.460 0.045 0.000 1.315 383 Y HN 0.495 nan 8.280 nan 0.000 0.455 384 L N 2.002 123.289 121.223 0.106 0.000 2.307 384 L HA 0.822 5.162 4.340 0.001 0.000 0.282 384 L C 0.008 177.062 176.870 0.307 0.000 1.051 384 L CA 0.363 55.255 54.840 0.088 0.000 0.804 384 L CB 1.613 43.752 42.059 0.134 0.000 1.197 384 L HN 1.047 nan 8.230 nan 0.000 0.431 385 T N 3.923 118.633 114.554 0.259 0.000 2.696 385 T HA 0.856 5.206 4.350 0.001 0.000 0.291 385 T C -1.373 173.463 174.700 0.227 0.000 1.095 385 T CA -0.564 61.779 62.100 0.404 0.000 1.026 385 T CB 1.142 70.223 68.868 0.355 0.000 1.390 385 T HN 0.867 nan 8.240 nan 0.000 0.513 386 R N 0.462 121.012 120.500 0.084 0.000 2.728 386 R HA 0.460 4.801 4.340 0.001 0.000 0.274 386 R C -1.648 174.450 176.300 -0.337 0.000 1.030 386 R CA -0.987 55.034 56.100 -0.132 0.000 0.876 386 R CB 0.330 30.483 30.300 -0.244 0.000 1.259 386 R HN 0.518 nan 8.270 nan 0.000 0.468 387 D N 1.837 122.047 120.400 -0.317 0.000 2.458 387 D HA 0.063 4.704 4.640 0.001 0.000 0.243 387 D C -1.417 174.478 176.300 -0.676 0.000 1.146 387 D CA -1.311 52.443 54.000 -0.410 0.000 0.877 387 D CB 1.291 41.947 40.800 -0.241 0.000 1.176 387 D HN 0.374 nan 8.370 nan 0.000 0.461 388 P HA 0.030 nan 4.420 nan 0.000 0.255 388 P C 1.065 178.033 177.300 -0.553 0.000 1.248 388 P CA 0.042 62.432 63.100 -1.182 0.000 0.807 388 P CB 0.409 31.307 31.700 -1.336 0.000 1.150 389 T N 0.080 114.422 114.554 -0.353 0.000 2.622 389 T HA -0.128 4.222 4.350 0.001 0.000 0.266 389 T C 1.787 176.416 174.700 -0.119 0.000 1.047 389 T CA 2.417 64.411 62.100 -0.176 0.000 1.159 389 T CB -1.107 67.700 68.868 -0.102 0.000 0.863 389 T HN 0.190 nan 8.240 nan 0.000 0.422 390 T N 2.232 116.722 114.554 -0.107 0.000 2.708 390 T HA -0.047 4.304 4.350 0.001 0.000 0.266 390 T C -0.575 174.082 174.700 -0.071 0.000 1.037 390 T CA 1.135 63.200 62.100 -0.059 0.000 1.146 390 T CB -1.227 67.643 68.868 0.002 0.000 0.865 390 T HN 0.330 nan 8.240 nan 0.000 0.435 391 P HA -0.001 nan 4.420 nan 0.000 0.215 391 P C 1.416 178.757 177.300 0.068 0.000 1.153 391 P CA 0.992 64.104 63.100 0.020 0.000 0.853 391 P CB -0.161 31.544 31.700 0.008 0.000 0.788 392 I N -1.101 119.460 120.570 -0.016 0.000 2.286 392 I HA -0.186 3.985 4.170 0.001 0.000 0.245 392 I C 2.313 178.447 176.117 0.029 0.000 1.104 392 I CA 1.191 62.495 61.300 0.008 0.000 1.397 392 I CB -0.753 37.213 38.000 -0.057 0.000 1.072 392 I HN -0.101 nan 8.210 nan 0.000 0.417 393 A N 1.111 123.940 122.820 0.015 0.000 1.902 393 A HA -0.208 4.112 4.320 0.001 0.000 0.217 393 A C 2.392 180.027 177.584 0.085 0.000 1.181 393 A CA 1.534 53.598 52.037 0.045 0.000 0.623 393 A CB -0.554 18.452 19.000 0.010 0.000 0.818 393 A HN 0.314 nan 8.150 nan 0.000 0.443 394 R N -0.602 119.926 120.500 0.047 0.000 2.092 394 R HA -0.027 4.313 4.340 0.001 0.000 0.231 394 R C 2.483 178.936 176.300 0.256 0.000 1.119 394 R CA 1.069 57.222 56.100 0.090 0.000 0.970 394 R CB -0.462 29.841 30.300 0.006 0.000 0.864 394 R HN 0.512 nan 8.270 nan 0.000 0.440 395 A N 1.448 124.434 122.820 0.276 0.000 1.908 395 A HA -0.159 4.162 4.320 0.001 0.000 0.218 395 A C 2.388 180.143 177.584 0.284 0.000 1.181 395 A CA 1.801 54.088 52.037 0.417 0.000 0.627 395 A CB -0.675 18.565 19.000 0.399 0.000 0.818 395 A HN 0.399 nan 8.150 nan 0.000 0.445 396 A N -1.337 121.569 122.820 0.144 0.000 1.877 396 A HA -0.189 4.131 4.320 0.001 0.000 0.216 396 A C 2.118 179.812 177.584 0.184 0.000 1.186 396 A CA 1.447 53.536 52.037 0.087 0.000 0.620 396 A CB -0.921 18.119 19.000 0.067 0.000 0.822 396 A HN 0.843 nan 8.150 nan 0.000 0.443 397 W N 1.098 122.440 121.300 0.071 0.000 2.335 397 W HA -0.160 4.500 4.660 0.001 0.000 0.311 397 W C 1.613 178.199 176.519 0.112 0.000 1.213 397 W CA 2.000 59.388 57.345 0.073 0.000 1.274 397 W CB -0.351 29.134 29.460 0.040 0.000 1.148 397 W HN 0.556 nan 8.180 nan 0.000 0.498 398 E N -0.775 119.710 120.200 0.475 0.000 2.418 398 E HA -0.120 4.230 4.350 0.001 0.000 0.197 398 E C 1.922 178.725 176.600 0.339 0.000 1.026 398 E CA 1.370 58.029 56.400 0.432 0.000 0.862 398 E CB -0.111 29.901 29.700 0.520 0.000 0.799 398 E HN 0.105 nan 8.360 nan 0.000 0.518 399 T N 0.158 114.870 114.554 0.263 0.000 2.904 399 T HA -0.082 4.269 4.350 0.001 0.000 0.267 399 T C 1.901 176.654 174.700 0.089 0.000 1.059 399 T CA 1.306 63.511 62.100 0.176 0.000 1.137 399 T CB 0.204 69.151 68.868 0.131 0.000 0.879 399 T HN 0.202 nan 8.240 nan 0.000 0.467 400 V N -2.685 117.243 119.914 0.025 0.000 3.556 400 V HA 0.502 4.623 4.120 0.001 0.000 0.287 400 V C 0.303 176.348 176.094 -0.082 0.000 1.422 400 V CA -0.404 61.865 62.300 -0.051 0.000 1.038 400 V CB 0.077 31.827 31.823 -0.121 0.000 0.850 400 V HN -0.004 nan 8.190 nan 0.000 0.437 401 R N 0.882 121.349 120.500 -0.055 0.000 2.599 401 R HA 0.421 4.762 4.340 0.001 0.000 0.295 401 R C -0.913 175.486 176.300 0.165 0.000 0.963 401 R CA -0.754 55.350 56.100 0.007 0.000 0.883 401 R CB 1.202 31.441 30.300 -0.102 0.000 1.171 401 R HN 0.554 nan 8.270 nan 0.000 0.450 402 H N 0.763 119.886 119.070 0.087 0.000 3.157 402 H HA 0.054 4.611 4.556 0.001 0.000 0.299 402 H C -0.763 174.638 175.328 0.121 0.000 0.961 402 H CA 0.677 56.783 56.048 0.097 0.000 1.428 402 H CB 0.401 30.203 29.762 0.068 0.000 1.459 402 H HN 0.320 nan 8.280 nan 0.000 0.566 403 S N 7.583 123.089 115.700 -0.323 0.000 2.539 403 S HA 0.169 4.639 4.470 0.001 0.000 0.235 403 S C -1.884 172.478 174.600 -0.398 0.000 1.326 403 S CA -0.935 57.108 58.200 -0.261 0.000 1.183 403 S CB 1.406 64.627 63.200 0.035 0.000 1.073 403 S HN 0.663 nan 8.310 nan 0.000 0.480 404 P HA -0.038 nan 4.420 nan 0.000 0.218 404 P C -0.108 176.955 177.300 -0.394 0.000 1.148 404 P CA 0.853 63.582 63.100 -0.617 0.000 0.822 404 P CB 0.199 31.374 31.700 -0.875 0.000 0.784 405 V N 0.774 120.535 119.914 -0.255 0.000 2.380 405 V HA 0.219 4.339 4.120 0.001 0.000 0.286 405 V C 0.012 176.054 176.094 -0.088 0.000 1.015 405 V CA -0.984 61.237 62.300 -0.131 0.000 0.834 405 V CB 0.899 32.663 31.823 -0.097 0.000 1.009 405 V HN 0.108 nan 8.190 nan 0.000 0.428 406 N N 2.873 121.520 118.700 -0.090 0.000 2.458 406 N HA 0.367 5.108 4.740 0.001 0.000 0.271 406 N C 0.932 176.385 175.510 -0.096 0.000 1.210 406 N CA -0.066 52.923 53.050 -0.103 0.000 0.978 406 N CB 1.380 39.714 38.487 -0.255 0.000 1.206 406 N HN 0.411 nan 8.380 nan 0.000 0.536 407 S N -1.449 114.225 115.700 -0.042 0.000 2.506 407 S HA -0.003 4.467 4.470 0.001 0.000 0.219 407 S C 1.411 176.012 174.600 0.002 0.000 1.031 407 S CA -0.463 57.748 58.200 0.020 0.000 0.911 407 S CB -0.709 62.535 63.200 0.074 0.000 0.812 407 S HN 0.798 nan 8.310 nan 0.000 0.497 408 W N 1.498 122.771 121.300 -0.045 0.000 2.363 408 W HA 0.052 4.712 4.660 0.001 0.000 0.296 408 W C 1.453 177.840 176.519 -0.220 0.000 1.212 408 W CA 0.239 57.506 57.345 -0.129 0.000 1.260 408 W CB -0.865 28.370 29.460 -0.374 0.000 1.131 408 W HN 0.348 nan 8.180 nan 0.000 0.530 409 L N 2.826 123.434 121.223 -1.024 0.000 2.109 409 L HA 0.191 4.531 4.340 0.001 0.000 0.207 409 L C 2.593 179.007 176.870 -0.759 0.000 1.086 409 L CA 2.502 56.682 54.840 -1.101 0.000 0.760 409 L CB -1.316 39.736 42.059 -1.677 0.000 0.910 409 L HN 0.038 nan 8.230 nan 0.000 0.437 410 G N -0.825 107.708 108.800 -0.445 0.000 2.402 410 G HA2 -0.299 3.662 3.960 0.001 0.000 0.216 410 G HA3 -0.299 3.662 3.960 0.001 0.000 0.216 410 G C 1.419 176.363 174.900 0.072 0.000 1.162 410 G CA 0.929 46.015 45.100 -0.023 0.000 0.777 410 G HN 0.537 nan 8.290 nan 0.000 0.539 411 N N 0.086 118.882 118.700 0.161 0.000 2.120 411 N HA -0.015 4.725 4.740 0.001 0.000 0.188 411 N C 2.146 177.802 175.510 0.243 0.000 1.024 411 N CA 0.728 53.998 53.050 0.367 0.000 0.852 411 N CB -0.124 38.639 38.487 0.460 0.000 1.003 411 N HN 0.283 nan 8.380 nan 0.000 0.424 412 I N 0.796 121.440 120.570 0.123 0.000 2.226 412 I HA -0.252 3.919 4.170 0.001 0.000 0.245 412 I C 1.899 178.031 176.117 0.025 0.000 1.100 412 I CA 1.095 62.437 61.300 0.070 0.000 1.374 412 I CB -0.206 37.869 38.000 0.125 0.000 1.057 412 I HN 0.169 nan 8.210 nan 0.000 0.413 413 I N 0.203 120.771 120.570 -0.003 0.000 2.163 413 I HA -0.294 3.876 4.170 0.001 0.000 0.240 413 I C 2.589 178.804 176.117 0.164 0.000 1.081 413 I CA 1.448 62.791 61.300 0.072 0.000 1.353 413 I CB -0.381 37.636 38.000 0.028 0.000 1.054 413 I HN 0.251 nan 8.210 nan 0.000 0.407 414 Q N -0.295 119.543 119.800 0.063 0.000 2.124 414 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 414 Q C 0.779 176.600 176.000 -0.298 0.000 0.977 414 Q CA 1.507 57.251 55.803 -0.097 0.000 0.850 414 Q CB 0.062 28.608 28.738 -0.321 0.000 0.901 414 Q HN 0.537 nan 8.270 nan 0.000 0.429 415 Y N -1.377 118.930 120.300 0.012 0.000 2.720 415 Y HA 0.384 4.934 4.550 0.001 0.000 0.277 415 Y C 1.308 176.949 175.900 -0.430 0.000 1.144 415 Y CA -0.230 57.749 58.100 -0.201 0.000 1.221 415 Y CB -0.082 38.188 38.460 -0.317 0.000 1.163 415 Y HN 0.058 nan 8.280 nan 0.000 0.537 416 A N 1.057 123.690 122.820 -0.311 0.000 1.958 416 A HA -0.175 4.146 4.320 0.001 0.000 0.221 416 A C -0.410 176.916 177.584 -0.430 0.000 1.178 416 A CA 1.735 53.559 52.037 -0.354 0.000 0.642 416 A CB -1.369 17.462 19.000 -0.282 0.000 0.816 416 A HN 0.268 nan 8.150 nan 0.000 0.453 417 P HA 0.036 nan 4.420 nan 0.000 0.236 417 P C 0.650 177.694 177.300 -0.427 0.000 1.177 417 P CA 1.156 63.997 63.100 -0.433 0.000 0.773 417 P CB -0.424 31.037 31.700 -0.397 0.000 0.878 418 T N -2.985 111.308 114.554 -0.434 0.000 2.899 418 T HA 0.184 4.534 4.350 0.001 0.000 0.295 418 T C 1.236 175.533 174.700 -0.672 0.000 1.033 418 T CA -0.597 61.203 62.100 -0.500 0.000 1.084 418 T CB 0.619 69.036 68.868 -0.750 0.000 0.979 418 T HN -0.121 nan 8.240 nan 0.000 0.532 419 I N 1.428 121.499 120.570 -0.830 0.000 2.394 419 I HA -0.027 4.144 4.170 0.001 0.000 0.251 419 I C 2.047 177.852 176.117 -0.520 0.000 1.136 419 I CA 0.995 61.792 61.300 -0.839 0.000 1.425 419 I CB -0.127 37.193 38.000 -1.133 0.000 1.079 419 I HN 0.873 nan 8.210 nan 0.000 0.425 420 W N 0.874 121.948 121.300 -0.376 0.000 2.443 420 W HA 0.087 4.747 4.660 0.001 0.000 0.296 420 W C 2.188 178.558 176.519 -0.248 0.000 1.202 420 W CA 0.758 57.921 57.345 -0.303 0.000 1.312 420 W CB -1.399 27.917 29.460 -0.240 0.000 1.120 420 W HN 0.117 nan 8.180 nan 0.000 0.536 421 A N 1.894 124.228 122.820 -0.811 0.000 1.930 421 A HA -0.128 4.193 4.320 0.001 0.000 0.217 421 A C 2.238 179.653 177.584 -0.282 0.000 1.175 421 A CA 1.732 53.451 52.037 -0.530 0.000 0.627 421 A CB -0.715 17.833 19.000 -0.753 0.000 0.815 421 A HN 0.322 nan 8.150 nan 0.000 0.443 422 R N -1.065 119.197 120.500 -0.397 0.000 2.057 422 R HA 0.079 4.420 4.340 0.001 0.000 0.229 422 R C 2.243 178.369 176.300 -0.289 0.000 1.136 422 R CA 1.669 57.565 56.100 -0.340 0.000 0.952 422 R CB -0.327 29.642 30.300 -0.553 0.000 0.848 422 R HN 0.496 nan 8.270 nan 0.000 0.430 423 M N -0.194 119.093 119.600 -0.522 0.000 2.334 423 M HA -0.051 4.430 4.480 0.001 0.000 0.266 423 M C 1.922 178.117 176.300 -0.175 0.000 1.082 423 M CA 1.055 56.093 55.300 -0.437 0.000 1.141 423 M CB 0.338 32.600 32.600 -0.563 0.000 1.380 423 M HN -0.001 nan 8.290 nan 0.000 0.440 424 V N 0.007 119.664 119.914 -0.428 0.000 2.484 424 V HA -0.052 4.069 4.120 0.001 0.000 0.236 424 V C 2.133 177.962 176.094 -0.443 0.000 1.062 424 V CA 0.799 62.544 62.300 -0.926 0.000 1.081 424 V CB -0.515 30.803 31.823 -0.842 0.000 0.751 424 V HN 0.346 nan 8.190 nan 0.000 0.484 425 L N -0.651 120.518 121.223 -0.090 0.000 2.027 425 L HA -0.186 4.155 4.340 0.001 0.000 0.206 425 L C 2.587 179.681 176.870 0.373 0.000 1.074 425 L CA 1.818 56.778 54.840 0.201 0.000 0.745 425 L CB -0.481 41.767 42.059 0.314 0.000 0.898 425 L HN 0.322 nan 8.230 nan 0.000 0.433 426 M N -0.880 118.922 119.600 0.336 0.000 2.117 426 M HA -0.171 4.310 4.480 0.001 0.000 0.262 426 M C 2.323 179.097 176.300 0.791 0.000 1.065 426 M CA 1.929 57.561 55.300 0.552 0.000 1.114 426 M CB -0.650 32.114 32.600 0.273 0.000 1.361 426 M HN 0.240 nan 8.290 nan 0.000 0.408 427 T N -1.166 113.818 114.554 0.716 0.000 2.684 427 T HA -0.234 4.117 4.350 0.001 0.000 0.267 427 T C 1.635 176.622 174.700 0.478 0.000 1.036 427 T CA 1.974 64.496 62.100 0.703 0.000 1.148 427 T CB -0.556 68.761 68.868 0.748 0.000 0.863 427 T HN 0.473 nan 8.240 nan 0.000 0.436 428 H N 0.369 119.583 119.070 0.241 0.000 2.293 428 H HA -0.028 4.529 4.556 0.001 0.000 0.300 428 H C 1.802 177.023 175.328 -0.178 0.000 1.082 428 H CA 1.666 57.726 56.048 0.021 0.000 1.308 428 H CB -0.509 29.091 29.762 -0.269 0.000 1.375 428 H HN 0.348 nan 8.280 nan 0.000 0.495 429 F N -1.004 118.908 119.950 -0.063 0.000 2.259 429 F HA -0.014 4.514 4.527 0.001 0.000 0.298 429 F C 1.985 177.632 175.800 -0.256 0.000 1.088 429 F CA 0.605 58.375 58.000 -0.384 0.000 1.358 429 F CB -0.520 38.042 39.000 -0.730 0.000 1.040 429 F HN 0.147 nan 8.300 nan 0.000 0.505 430 F N -0.629 119.438 119.950 0.195 0.000 2.234 430 F HA -0.194 4.334 4.527 0.001 0.000 0.299 430 F C 2.715 178.537 175.800 0.037 0.000 1.087 430 F CA 1.471 59.572 58.000 0.168 0.000 1.340 430 F CB -0.889 38.284 39.000 0.288 0.000 1.031 430 F HN -0.085 nan 8.300 nan 0.000 0.500 431 S N 0.366 116.135 115.700 0.116 0.000 2.348 431 S HA -0.147 4.323 4.470 0.001 0.000 0.221 431 S C 2.202 176.749 174.600 -0.088 0.000 1.033 431 S CA 1.238 59.433 58.200 -0.008 0.000 1.010 431 S CB -0.346 62.831 63.200 -0.038 0.000 0.891 431 S HN 0.165 nan 8.310 nan 0.000 0.442 432 I N 1.821 122.258 120.570 -0.221 0.000 2.163 432 I HA -0.168 4.003 4.170 0.001 0.000 0.243 432 I C 2.357 178.422 176.117 -0.086 0.000 1.085 432 I CA 1.369 62.540 61.300 -0.215 0.000 1.347 432 I CB -1.534 36.241 38.000 -0.374 0.000 1.044 432 I HN 0.359 nan 8.210 nan 0.000 0.408 433 L N -0.570 120.618 121.223 -0.058 0.000 2.093 433 L HA -0.186 4.155 4.340 0.001 0.000 0.208 433 L C 2.706 179.591 176.870 0.024 0.000 1.085 433 L CA 1.196 56.033 54.840 -0.005 0.000 0.755 433 L CB -0.475 41.565 42.059 -0.032 0.000 0.904 433 L HN 0.181 nan 8.230 nan 0.000 0.435 434 M N -0.737 118.886 119.600 0.039 0.000 2.175 434 M HA -0.171 4.309 4.480 0.001 0.000 0.264 434 M C 2.492 178.805 176.300 0.021 0.000 1.063 434 M CA 1.752 57.082 55.300 0.050 0.000 1.119 434 M CB -0.391 32.247 32.600 0.064 0.000 1.377 434 M HN 0.351 nan 8.290 nan 0.000 0.415 435 A N -0.199 122.621 122.820 -0.001 0.000 1.930 435 A HA -0.173 4.147 4.320 0.001 0.000 0.217 435 A C 1.906 179.489 177.584 -0.001 0.000 1.175 435 A CA 1.306 53.337 52.037 -0.010 0.000 0.627 435 A CB -0.540 18.441 19.000 -0.031 0.000 0.815 435 A HN 0.557 nan 8.150 nan 0.000 0.443 436 Q N -1.588 118.215 119.800 0.004 0.000 2.378 436 Q HA -0.036 4.305 4.340 0.001 0.000 0.205 436 Q C -0.211 175.806 176.000 0.027 0.000 0.954 436 Q CA 0.460 56.274 55.803 0.018 0.000 0.901 436 Q CB 0.118 28.874 28.738 0.029 0.000 0.981 436 Q HN 0.591 nan 8.270 nan 0.000 0.483 437 D N 0.315 120.733 120.400 0.030 0.000 2.699 437 D HA -0.128 4.512 4.640 0.001 0.000 0.239 437 D C -0.387 175.941 176.300 0.047 0.000 1.136 437 D CA 1.328 55.350 54.000 0.038 0.000 0.668 437 D CB -1.079 39.739 40.800 0.030 0.000 1.060 437 D HN 0.446 nan 8.370 nan 0.000 0.429 438 T N -3.285 111.302 114.554 0.055 0.000 3.393 438 T HA 0.209 4.560 4.350 0.001 0.000 0.298 438 T C 1.439 176.183 174.700 0.074 0.000 1.004 438 T CA -0.309 61.831 62.100 0.067 0.000 0.956 438 T CB 0.052 68.966 68.868 0.078 0.000 1.182 438 T HN 0.081 nan 8.240 nan 0.000 0.497 439 L N 3.142 124.408 121.223 0.072 0.000 2.079 439 L HA -0.021 4.319 4.340 0.001 0.000 0.210 439 L C 1.887 178.810 176.870 0.089 0.000 1.081 439 L CA 2.185 57.074 54.840 0.080 0.000 0.752 439 L CB -0.440 41.690 42.059 0.118 0.000 0.896 439 L HN 0.532 nan 8.230 nan 0.000 0.433 440 D N -1.933 118.517 120.400 0.084 0.000 2.340 440 D HA -0.086 4.554 4.640 0.001 0.000 0.220 440 D C 0.459 176.806 176.300 0.079 0.000 1.039 440 D CA 0.021 54.070 54.000 0.081 0.000 0.866 440 D CB -0.391 40.451 40.800 0.070 0.000 0.913 440 D HN 0.420 nan 8.370 nan 0.000 0.523 441 Q N 0.665 120.514 119.800 0.082 0.000 2.286 441 Q HA 0.184 4.524 4.340 0.001 0.000 0.257 441 Q C 0.032 176.089 176.000 0.095 0.000 0.941 441 Q CA -0.294 55.561 55.803 0.087 0.000 0.912 441 Q CB 0.972 29.764 28.738 0.091 0.000 1.192 441 Q HN 0.187 nan 8.270 nan 0.000 0.410 442 N N 2.468 121.228 118.700 0.100 0.000 2.492 442 N HA 0.147 4.887 4.740 0.001 0.000 0.262 442 N C -0.902 174.683 175.510 0.125 0.000 1.202 442 N CA 0.335 53.455 53.050 0.117 0.000 0.926 442 N CB 0.592 39.156 38.487 0.128 0.000 1.078 442 N HN 0.310 nan 8.380 nan 0.000 0.454 443 L N 2.159 123.460 121.223 0.129 0.000 2.362 443 L HA 0.377 4.717 4.340 0.001 0.000 0.271 443 L C -0.351 176.631 176.870 0.188 0.000 1.002 443 L CA -1.060 53.847 54.840 0.112 0.000 0.818 443 L CB 1.824 43.889 42.059 0.008 0.000 1.298 443 L HN 0.414 nan 8.230 nan 0.000 0.420 444 N N 2.117 120.901 118.700 0.139 0.000 2.529 444 N HA 0.622 5.362 4.740 0.001 0.000 0.278 444 N C -0.969 174.608 175.510 0.111 0.000 1.146 444 N CA 0.023 53.150 53.050 0.127 0.000 0.980 444 N CB 0.948 39.489 38.487 0.090 0.000 1.124 444 N HN 0.392 nan 8.380 nan 0.000 0.458 445 F N -1.682 118.224 119.950 -0.073 0.000 2.668 445 F HA 0.520 5.048 4.527 0.001 0.000 0.309 445 F C -0.497 175.273 175.800 -0.050 0.000 1.117 445 F CA -1.176 56.735 58.000 -0.148 0.000 0.951 445 F CB 1.235 40.062 39.000 -0.288 0.000 1.323 445 F HN 0.166 nan 8.300 nan 0.000 0.451 446 E N 2.826 123.068 120.200 0.071 0.000 2.231 446 E HA 0.515 4.866 4.350 0.001 0.000 0.277 446 E C -1.745 174.948 176.600 0.156 0.000 0.999 446 E CA -0.589 55.836 56.400 0.041 0.000 0.827 446 E CB 1.763 31.490 29.700 0.045 0.000 1.101 446 E HN 0.921 nan 8.360 nan 0.000 0.393 447 M N 4.389 124.066 119.600 0.128 0.000 2.255 447 M HA 0.131 4.611 4.480 0.001 0.000 0.275 447 M C -1.403 175.081 176.300 0.308 0.000 1.050 447 M CA -0.496 54.904 55.300 0.167 0.000 0.978 447 M CB 1.041 33.546 32.600 -0.159 0.000 1.761 447 M HN 0.585 nan 8.290 nan 0.000 0.479 448 Y N 1.836 122.219 120.300 0.138 0.000 3.721 448 Y HA -0.216 4.334 4.550 0.001 0.000 0.218 448 Y C 1.143 177.046 175.900 0.004 0.000 1.188 448 Y CA 1.811 59.987 58.100 0.127 0.000 1.607 448 Y CB -2.521 36.044 38.460 0.175 0.000 1.496 448 Y HN 1.116 nan 8.280 nan 0.000 0.626 449 G N -2.038 106.858 108.800 0.160 0.000 2.184 449 G HA2 -0.016 3.945 3.960 0.001 0.000 0.264 449 G HA3 -0.016 3.945 3.960 0.001 0.000 0.264 449 G C 0.473 175.371 174.900 -0.004 0.000 0.975 449 G CA 0.472 45.601 45.100 0.049 0.000 0.642 449 G HN 1.562 nan 8.290 nan 0.000 0.536 450 A N -0.818 122.005 122.820 0.005 0.000 2.281 450 A HA 0.874 5.195 4.320 0.001 0.000 0.329 450 A C 0.054 177.521 177.584 -0.196 0.000 1.122 450 A CA 0.003 51.970 52.037 -0.117 0.000 0.850 450 A CB 1.783 20.672 19.000 -0.185 0.000 1.207 450 A HN 1.118 nan 8.150 nan 0.000 0.495 451 V N 0.713 120.414 119.914 -0.355 0.000 2.483 451 V HA 0.528 4.648 4.120 0.001 0.000 0.295 451 V C -0.985 174.661 176.094 -0.746 0.000 1.035 451 V CA -0.151 61.944 62.300 -0.341 0.000 0.896 451 V CB 0.601 32.382 31.823 -0.071 0.000 0.986 451 V HN 0.774 nan 8.190 nan 0.000 0.447 452 Y N 1.232 121.055 120.300 -0.795 0.000 2.634 452 Y HA 0.697 5.247 4.550 0.001 0.000 0.340 452 Y C 0.249 175.722 175.900 -0.712 0.000 1.058 452 Y CA -0.937 56.589 58.100 -0.956 0.000 1.081 452 Y CB 2.275 39.923 38.460 -1.352 0.000 1.295 452 Y HN 0.510 nan 8.280 nan 0.000 0.487 453 S N 1.532 117.140 115.700 -0.154 0.000 2.672 453 S HA 0.797 5.267 4.470 0.001 0.000 0.291 453 S C -1.542 173.243 174.600 0.309 0.000 1.145 453 S CA -0.436 57.855 58.200 0.152 0.000 1.013 453 S CB 0.274 63.588 63.200 0.191 0.000 1.017 453 S HN 0.902 nan 8.310 nan 0.000 0.487 454 V N 1.925 122.086 119.914 0.411 0.000 3.206 454 V HA 0.877 4.998 4.120 0.001 0.000 0.305 454 V C -0.374 175.816 176.094 0.159 0.000 1.257 454 V CA -0.788 61.679 62.300 0.278 0.000 1.057 454 V CB 1.449 33.459 31.823 0.312 0.000 1.075 454 V HN 0.780 nan 8.190 nan 0.000 0.443 455 S N 1.305 117.074 115.700 0.115 0.000 2.554 455 S HA 0.616 5.087 4.470 0.001 0.000 0.278 455 S C -1.660 172.985 174.600 0.075 0.000 1.242 455 S CA -1.154 57.099 58.200 0.088 0.000 1.051 455 S CB 1.410 64.664 63.200 0.090 0.000 0.986 455 S HN 0.761 nan 8.310 nan 0.000 0.502 456 P HA -0.086 nan 4.420 nan 0.000 0.218 456 P C 1.121 178.554 177.300 0.222 0.000 1.146 456 P CA 1.134 64.278 63.100 0.073 0.000 0.813 456 P CB 0.015 31.667 31.700 -0.079 0.000 0.778 457 L N -0.957 120.377 121.223 0.186 0.000 2.362 457 L HA -0.109 4.231 4.340 0.001 0.000 0.219 457 L C 1.442 178.390 176.870 0.129 0.000 1.134 457 L CA 1.074 56.029 54.840 0.191 0.000 0.807 457 L CB -0.723 41.419 42.059 0.138 0.000 0.927 457 L HN -0.025 nan 8.230 nan 0.000 0.447 458 D N -0.045 120.420 120.400 0.109 0.000 2.347 458 D HA -0.041 4.600 4.640 0.001 0.000 0.215 458 D C 2.306 178.655 176.300 0.081 0.000 0.976 458 D CA 0.552 54.594 54.000 0.070 0.000 0.884 458 D CB 0.205 41.044 40.800 0.064 0.000 0.915 458 D HN 0.307 nan 8.370 nan 0.000 0.526 459 L N 0.875 122.183 121.223 0.141 0.000 2.012 459 L HA -0.143 4.197 4.340 0.001 0.000 0.210 459 L C -0.412 176.559 176.870 0.168 0.000 1.073 459 L CA 1.443 56.383 54.840 0.168 0.000 0.748 459 L CB -1.463 40.756 42.059 0.266 0.000 0.891 459 L HN 0.033 nan 8.230 nan 0.000 0.431 460 P HA -0.194 nan 4.420 nan 0.000 0.215 460 P C 1.456 178.837 177.300 0.135 0.000 1.157 460 P CA 1.889 65.044 63.100 0.091 0.000 0.868 460 P CB -0.014 31.555 31.700 -0.218 0.000 0.788 461 A N -0.794 122.035 122.820 0.015 0.000 1.902 461 A HA -0.174 4.147 4.320 0.001 0.000 0.217 461 A C 2.229 179.820 177.584 0.011 0.000 1.181 461 A CA 1.442 53.476 52.037 -0.005 0.000 0.623 461 A CB -1.615 17.356 19.000 -0.050 0.000 0.818 461 A HN 0.090 nan 8.150 nan 0.000 0.443 462 I N -0.298 120.279 120.570 0.011 0.000 2.163 462 I HA -0.281 3.890 4.170 0.001 0.000 0.243 462 I C 2.329 178.473 176.117 0.045 0.000 1.085 462 I CA 1.537 62.821 61.300 -0.026 0.000 1.347 462 I CB -0.393 37.611 38.000 0.007 0.000 1.044 462 I HN 0.305 nan 8.210 nan 0.000 0.408 463 I N 0.475 121.131 120.570 0.142 0.000 2.226 463 I HA -0.305 3.866 4.170 0.001 0.000 0.245 463 I C 2.647 178.800 176.117 0.060 0.000 1.100 463 I CA 1.491 62.893 61.300 0.169 0.000 1.374 463 I CB -0.443 37.659 38.000 0.171 0.000 1.057 463 I HN 0.315 nan 8.210 nan 0.000 0.413 464 E N 1.146 121.418 120.200 0.120 0.000 2.051 464 E HA -0.306 4.045 4.350 0.001 0.000 0.192 464 E C 2.315 178.929 176.600 0.023 0.000 0.991 464 E CA 1.275 57.726 56.400 0.084 0.000 0.799 464 E CB 0.029 29.863 29.700 0.224 0.000 0.748 464 E HN 0.165 nan 8.360 nan 0.000 0.449 465 R N 0.641 121.141 120.500 0.000 0.000 2.081 465 R HA -0.059 4.282 4.340 0.001 0.000 0.235 465 R C 2.211 178.471 176.300 -0.066 0.000 1.131 465 R CA 1.403 57.475 56.100 -0.046 0.000 0.960 465 R CB -0.513 29.727 30.300 -0.099 0.000 0.856 465 R HN 0.290 nan 8.270 nan 0.000 0.436 466 L N -1.317 119.849 121.223 -0.095 0.000 2.162 466 L HA -0.009 4.332 4.340 0.001 0.000 0.205 466 L C 1.722 178.399 176.870 -0.322 0.000 1.086 466 L CA 0.885 55.604 54.840 -0.202 0.000 0.778 466 L CB -0.239 41.654 42.059 -0.276 0.000 0.928 466 L HN 0.352 nan 8.230 nan 0.000 0.446 467 H N -1.001 118.044 119.070 -0.041 0.000 3.046 467 H HA 0.305 4.861 4.556 0.001 0.000 0.262 467 H C 0.834 176.103 175.328 -0.098 0.000 1.044 467 H CA 0.773 56.777 56.048 -0.073 0.000 1.209 467 H CB 1.065 30.751 29.762 -0.126 0.000 1.507 467 H HN 0.271 nan 8.280 nan 0.000 0.507 468 G N 0.998 109.798 108.800 0.001 0.000 2.730 468 G HA2 -0.222 3.739 3.960 0.001 0.000 0.686 468 G HA3 -0.222 3.739 3.960 0.001 0.000 0.686 468 G C 0.676 175.526 174.900 -0.084 0.000 1.343 468 G CA -0.179 44.912 45.100 -0.015 0.000 0.826 468 G HN 0.224 nan 8.290 nan 0.000 0.582 469 L N 0.172 121.405 121.223 0.017 0.000 2.187 469 L HA -0.105 4.235 4.340 0.001 0.000 0.213 469 L C 2.531 179.406 176.870 0.007 0.000 1.100 469 L CA 1.840 56.745 54.840 0.108 0.000 0.765 469 L CB -0.319 41.860 42.059 0.199 0.000 0.904 469 L HN 0.648 nan 8.230 nan 0.000 0.437 470 D N 0.189 120.566 120.400 -0.038 0.000 2.221 470 D HA -0.167 4.473 4.640 0.001 0.000 0.204 470 D C 2.163 178.377 176.300 -0.143 0.000 0.982 470 D CA 1.289 55.256 54.000 -0.055 0.000 0.857 470 D CB 0.057 40.825 40.800 -0.053 0.000 0.934 470 D HN 0.333 nan 8.370 nan 0.000 0.475 471 A N -0.067 122.578 122.820 -0.292 0.000 2.131 471 A HA -0.153 4.168 4.320 0.001 0.000 0.220 471 A C 1.338 178.698 177.584 -0.373 0.000 1.158 471 A CA 0.803 52.593 52.037 -0.410 0.000 0.665 471 A CB -0.678 18.001 19.000 -0.536 0.000 0.795 471 A HN 0.163 nan 8.150 nan 0.000 0.460 472 F N -0.974 118.984 119.950 0.015 0.000 2.727 472 F HA 0.244 4.771 4.527 0.001 0.000 0.302 472 F C 1.484 177.311 175.800 0.046 0.000 1.097 472 F CA 0.371 58.396 58.000 0.041 0.000 1.330 472 F CB 0.244 39.285 39.000 0.069 0.000 1.084 472 F HN 0.069 nan 8.300 nan 0.000 0.578 473 S N -0.577 115.200 115.700 0.128 0.000 2.893 473 S HA 0.298 4.769 4.470 0.001 0.000 0.258 473 S C 0.334 174.979 174.600 0.074 0.000 1.034 473 S CA -0.322 57.950 58.200 0.119 0.000 1.167 473 S CB 0.365 63.628 63.200 0.105 0.000 1.137 473 S HN -0.013 nan 8.310 nan 0.000 0.650 474 L N 3.369 124.556 121.223 -0.060 0.000 2.483 474 L HA 0.306 4.646 4.340 0.001 0.000 0.276 474 L C 0.487 177.229 176.870 -0.213 0.000 1.213 474 L CA 0.402 55.084 54.840 -0.264 0.000 0.843 474 L CB 0.113 41.886 42.059 -0.475 0.000 1.107 474 L HN 0.531 nan 8.230 nan 0.000 0.487 475 H N -1.825 116.988 119.070 -0.429 0.000 2.960 475 H HA 0.357 4.914 4.556 0.001 0.000 0.323 475 H C -0.493 174.602 175.328 -0.388 0.000 1.326 475 H CA -0.797 55.072 56.048 -0.299 0.000 1.124 475 H CB 1.109 30.823 29.762 -0.079 0.000 1.853 475 H HN 0.408 nan 8.280 nan 0.000 0.536 476 T N 0.484 115.011 114.554 -0.046 0.000 3.655 476 T HA -0.226 4.124 4.350 0.001 0.000 0.396 476 T C -0.767 173.846 174.700 -0.145 0.000 0.764 476 T CA 0.791 62.868 62.100 -0.038 0.000 2.058 476 T CB -2.445 66.393 68.868 -0.050 0.000 1.737 476 T HN 0.501 nan 8.240 nan 0.000 0.746 477 Y N 0.988 121.278 120.300 -0.017 0.000 2.281 477 Y HA 0.424 4.975 4.550 0.001 0.000 0.337 477 Y C 1.835 177.762 175.900 0.046 0.000 1.304 477 Y CA -0.196 57.915 58.100 0.018 0.000 1.465 477 Y CB 0.435 38.916 38.460 0.034 0.000 1.350 477 Y HN 0.453 nan 8.280 nan 0.000 0.575 478 T N -1.329 113.376 114.554 0.252 0.000 2.860 478 T HA 0.119 4.469 4.350 0.001 0.000 0.299 478 T C -2.034 172.759 174.700 0.155 0.000 1.045 478 T CA -1.505 60.694 62.100 0.165 0.000 1.071 478 T CB 1.064 70.027 68.868 0.158 0.000 0.985 478 T HN 0.344 nan 8.240 nan 0.000 0.537 479 P HA -0.120 nan 4.420 nan 0.000 0.215 479 P C 1.335 178.703 177.300 0.113 0.000 1.153 479 P CA 1.294 64.456 63.100 0.103 0.000 0.853 479 P CB -0.145 31.608 31.700 0.088 0.000 0.788 480 H N -0.073 119.023 119.070 0.044 0.000 2.319 480 H HA -0.188 4.369 4.556 0.001 0.000 0.299 480 H C 2.058 177.406 175.328 0.034 0.000 1.092 480 H CA 2.240 58.306 56.048 0.029 0.000 1.302 480 H CB -0.336 29.438 29.762 0.019 0.000 1.373 480 H HN -0.014 nan 8.280 nan 0.000 0.497 481 E N 0.168 120.420 120.200 0.086 0.000 2.047 481 E HA -0.092 4.258 4.350 0.001 0.000 0.191 481 E C 2.390 178.983 176.600 -0.012 0.000 0.987 481 E CA 1.334 57.758 56.400 0.041 0.000 0.799 481 E CB -0.407 29.414 29.700 0.201 0.000 0.752 481 E HN 0.582 nan 8.360 nan 0.000 0.449 482 L N 0.060 121.302 121.223 0.032 0.000 2.042 482 L HA -0.186 4.155 4.340 0.001 0.000 0.210 482 L C 2.486 179.342 176.870 -0.023 0.000 1.076 482 L CA 1.751 56.596 54.840 0.009 0.000 0.749 482 L CB -0.720 41.369 42.059 0.050 0.000 0.893 482 L HN 0.227 nan 8.230 nan 0.000 0.432 483 T N -1.036 113.497 114.554 -0.035 0.000 2.746 483 T HA -0.218 4.133 4.350 0.001 0.000 0.267 483 T C 2.010 176.652 174.700 -0.097 0.000 1.039 483 T CA 1.305 63.374 62.100 -0.051 0.000 1.142 483 T CB -0.176 68.667 68.868 -0.042 0.000 0.866 483 T HN 0.252 nan 8.240 nan 0.000 0.444 484 R N 0.517 120.914 120.500 -0.172 0.000 2.073 484 R HA -0.066 4.275 4.340 0.001 0.000 0.234 484 R C 2.331 178.535 176.300 -0.160 0.000 1.134 484 R CA 1.177 57.153 56.100 -0.207 0.000 0.952 484 R CB -0.490 29.621 30.300 -0.315 0.000 0.850 484 R HN 0.212 nan 8.270 nan 0.000 0.433 485 V N 0.985 120.818 119.914 -0.134 0.000 2.295 485 V HA -0.217 3.904 4.120 0.001 0.000 0.246 485 V C 2.468 178.520 176.094 -0.069 0.000 1.049 485 V CA 1.951 64.182 62.300 -0.116 0.000 1.024 485 V CB -0.775 31.012 31.823 -0.061 0.000 0.648 485 V HN 0.562 nan 8.190 nan 0.000 0.447 486 A N -0.451 122.345 122.820 -0.040 0.000 1.908 486 A HA -0.221 4.100 4.320 0.001 0.000 0.218 486 A C 2.486 180.063 177.584 -0.011 0.000 1.181 486 A CA 2.320 54.352 52.037 -0.008 0.000 0.627 486 A CB -0.714 18.288 19.000 0.004 0.000 0.818 486 A HN 0.507 nan 8.150 nan 0.000 0.445 487 S N -0.266 115.414 115.700 -0.034 0.000 2.368 487 S HA -0.035 4.435 4.470 0.001 0.000 0.225 487 S C 2.320 176.904 174.600 -0.026 0.000 1.030 487 S CA 1.189 59.373 58.200 -0.027 0.000 0.999 487 S CB -0.459 62.715 63.200 -0.044 0.000 0.844 487 S HN 0.805 nan 8.310 nan 0.000 0.459 488 A N 1.437 124.221 122.820 -0.061 0.000 1.902 488 A HA -0.004 4.316 4.320 0.001 0.000 0.217 488 A C 2.117 179.683 177.584 -0.029 0.000 1.181 488 A CA 1.152 53.148 52.037 -0.069 0.000 0.623 488 A CB -0.735 18.177 19.000 -0.147 0.000 0.818 488 A HN 0.449 nan 8.150 nan 0.000 0.443 489 L N -1.113 120.100 121.223 -0.017 0.000 2.046 489 L HA -0.185 4.155 4.340 0.001 0.000 0.208 489 L C 2.874 179.762 176.870 0.029 0.000 1.077 489 L CA 1.414 56.269 54.840 0.025 0.000 0.747 489 L CB -0.518 41.585 42.059 0.073 0.000 0.896 489 L HN 0.347 nan 8.230 nan 0.000 0.432 490 R N 0.229 120.750 120.500 0.036 0.000 2.081 490 R HA -0.209 4.131 4.340 0.001 0.000 0.235 490 R C 2.343 178.712 176.300 0.116 0.000 1.131 490 R CA 1.512 57.649 56.100 0.060 0.000 0.960 490 R CB -0.297 30.037 30.300 0.058 0.000 0.856 490 R HN 0.303 nan 8.270 nan 0.000 0.436 491 K N 1.114 121.571 120.400 0.095 0.000 2.057 491 K HA -0.117 4.204 4.320 0.001 0.000 0.207 491 K C 1.861 178.590 176.600 0.216 0.000 1.049 491 K CA 1.191 57.558 56.287 0.134 0.000 0.931 491 K CB 0.002 32.542 32.500 0.067 0.000 0.714 491 K HN 0.137 nan 8.250 nan 0.000 0.440 492 L N -0.247 121.044 121.223 0.113 0.000 2.492 492 L HA 0.106 4.447 4.340 0.001 0.000 0.223 492 L C 1.028 177.815 176.870 -0.138 0.000 1.132 492 L CA 0.521 55.409 54.840 0.080 0.000 0.850 492 L CB 0.028 42.102 42.059 0.026 0.000 0.966 492 L HN 0.588 nan 8.230 nan 0.000 0.454 493 G N 0.513 109.104 108.800 -0.348 0.000 2.198 493 G HA2 -0.244 3.716 3.960 0.001 0.000 0.257 493 G HA3 -0.244 3.716 3.960 0.001 0.000 0.257 493 G C 0.270 174.934 174.900 -0.392 0.000 1.042 493 G CA 0.134 44.685 45.100 -0.914 0.000 0.791 493 G HN 0.496 nan 8.290 nan 0.000 0.502 494 A N -0.085 122.651 122.820 -0.140 0.000 2.286 494 A HA 0.844 5.165 4.320 0.001 0.000 0.286 494 A C -1.480 176.129 177.584 0.041 0.000 1.097 494 A CA -1.259 50.791 52.037 0.021 0.000 0.821 494 A CB 0.658 19.749 19.000 0.152 0.000 1.076 494 A HN 0.188 nan 8.150 nan 0.000 0.490 495 P HA 0.205 nan 4.420 nan 0.000 0.269 495 P C -2.436 174.926 177.300 0.104 0.000 1.209 495 P CA -0.745 62.291 63.100 -0.108 0.000 0.776 495 P CB -0.047 31.325 31.700 -0.546 0.000 0.876 496 P HA 0.098 nan 4.420 nan 0.000 0.274 496 P C 0.924 178.382 177.300 0.263 0.000 1.246 496 P CA -0.147 63.038 63.100 0.142 0.000 0.795 496 P CB 0.790 32.531 31.700 0.069 0.000 1.006 497 L N 0.670 122.049 121.223 0.260 0.000 2.043 497 L HA -0.240 4.100 4.340 0.001 0.000 0.212 497 L C 2.894 179.925 176.870 0.269 0.000 1.075 497 L CA 2.038 57.054 54.840 0.292 0.000 0.752 497 L CB -0.846 41.291 42.059 0.129 0.000 0.891 497 L HN 0.487 nan 8.230 nan 0.000 0.432 498 R N 0.610 121.211 120.500 0.170 0.000 2.127 498 R HA -0.146 4.194 4.340 0.001 0.000 0.238 498 R C 2.177 178.549 176.300 0.120 0.000 1.134 498 R CA 1.403 57.588 56.100 0.142 0.000 0.975 498 R CB -0.704 29.649 30.300 0.089 0.000 0.865 498 R HN 0.276 nan 8.270 nan 0.000 0.447 499 A N 0.865 123.717 122.820 0.053 0.000 1.968 499 A HA -0.051 4.270 4.320 0.001 0.000 0.217 499 A C 1.718 179.252 177.584 -0.083 0.000 1.169 499 A CA 0.732 52.724 52.037 -0.075 0.000 0.638 499 A CB -0.833 18.039 19.000 -0.213 0.000 0.812 499 A HN 0.547 nan 8.150 nan 0.000 0.446 500 W N 0.281 121.653 121.300 0.120 0.000 2.363 500 W HA -0.093 4.567 4.660 0.001 0.000 0.296 500 W C 2.327 179.028 176.519 0.303 0.000 1.212 500 W CA 1.563 59.022 57.345 0.190 0.000 1.260 500 W CB 0.047 29.619 29.460 0.187 0.000 1.131 500 W HN 0.293 nan 8.180 nan 0.000 0.530 501 K N 0.244 120.963 120.400 0.530 0.000 2.057 501 K HA -0.171 4.150 4.320 0.001 0.000 0.207 501 K C 2.114 178.840 176.600 0.209 0.000 1.049 501 K CA 1.884 58.473 56.287 0.502 0.000 0.931 501 K CB -0.365 32.409 32.500 0.457 0.000 0.714 501 K HN -0.068 nan 8.250 nan 0.000 0.440 502 S N 0.817 116.594 115.700 0.128 0.000 2.365 502 S HA -0.155 4.315 4.470 0.001 0.000 0.225 502 S C 1.832 176.435 174.600 0.005 0.000 1.039 502 S CA 1.500 59.721 58.200 0.034 0.000 1.033 502 S CB -0.281 62.917 63.200 -0.003 0.000 0.887 502 S HN 0.380 nan 8.310 nan 0.000 0.447 503 R N 1.175 121.689 120.500 0.023 0.000 2.096 503 R HA 0.026 4.367 4.340 0.001 0.000 0.235 503 R C 2.572 178.870 176.300 -0.002 0.000 1.127 503 R CA 1.197 57.300 56.100 0.004 0.000 0.968 503 R CB -0.507 29.805 30.300 0.019 0.000 0.861 503 R HN 0.414 nan 8.270 nan 0.000 0.440 504 A N 1.456 124.310 122.820 0.057 0.000 1.972 504 A HA -0.146 4.174 4.320 0.001 0.000 0.219 504 A C 2.042 179.429 177.584 -0.329 0.000 1.169 504 A CA 1.004 52.961 52.037 -0.132 0.000 0.635 504 A CB -0.324 18.640 19.000 -0.059 0.000 0.810 504 A HN 0.212 nan 8.150 nan 0.000 0.446 505 R N -0.459 119.914 120.500 -0.212 0.000 2.091 505 R HA -0.143 4.198 4.340 0.001 0.000 0.238 505 R C 2.457 178.637 176.300 -0.201 0.000 1.136 505 R CA 1.349 57.324 56.100 -0.208 0.000 0.959 505 R CB -0.492 29.732 30.300 -0.127 0.000 0.856 505 R HN 0.523 nan 8.270 nan 0.000 0.437 506 A N 0.721 123.443 122.820 -0.163 0.000 1.898 506 A HA -0.079 4.242 4.320 0.001 0.000 0.216 506 A C 2.403 179.876 177.584 -0.185 0.000 1.181 506 A CA 1.167 53.119 52.037 -0.142 0.000 0.620 506 A CB -0.454 18.487 19.000 -0.099 0.000 0.819 506 A HN 0.101 nan 8.150 nan 0.000 0.442 507 V N 0.329 120.093 119.914 -0.251 0.000 2.343 507 V HA -0.279 3.841 4.120 0.001 0.000 0.247 507 V C 2.653 178.485 176.094 -0.437 0.000 1.051 507 V CA 2.340 64.448 62.300 -0.320 0.000 1.036 507 V CB -0.872 30.703 31.823 -0.414 0.000 0.654 507 V HN 0.694 nan 8.190 nan 0.000 0.451 508 R N 0.435 120.577 120.500 -0.597 0.000 2.083 508 R HA -0.201 4.139 4.340 0.001 0.000 0.237 508 R C 2.311 178.472 176.300 -0.231 0.000 1.137 508 R CA 1.895 57.720 56.100 -0.458 0.000 0.951 508 R CB -0.528 29.537 30.300 -0.392 0.000 0.851 508 R HN 0.467 nan 8.270 nan 0.000 0.434 509 A N 0.214 122.918 122.820 -0.192 0.000 1.908 509 A HA -0.151 4.169 4.320 0.001 0.000 0.218 509 A C 2.233 179.761 177.584 -0.094 0.000 1.181 509 A CA 2.000 53.964 52.037 -0.122 0.000 0.627 509 A CB -0.600 18.337 19.000 -0.106 0.000 0.818 509 A HN 0.477 nan 8.150 nan 0.000 0.445 510 S N -0.181 115.459 115.700 -0.101 0.000 2.368 510 S HA -0.096 4.375 4.470 0.001 0.000 0.225 510 S C 1.841 176.417 174.600 -0.040 0.000 1.030 510 S CA 1.430 59.593 58.200 -0.062 0.000 0.999 510 S CB -0.460 62.706 63.200 -0.056 0.000 0.844 510 S HN 0.501 nan 8.310 nan 0.000 0.459 511 L N 0.928 122.118 121.223 -0.056 0.000 2.017 511 L HA -0.106 4.235 4.340 0.001 0.000 0.208 511 L C 2.241 179.103 176.870 -0.013 0.000 1.073 511 L CA 1.260 56.091 54.840 -0.015 0.000 0.745 511 L CB -0.534 41.501 42.059 -0.040 0.000 0.894 511 L HN 0.291 nan 8.230 nan 0.000 0.432 512 I N -0.356 120.192 120.570 -0.037 0.000 2.286 512 I HA -0.307 3.863 4.170 0.001 0.000 0.248 512 I C 2.739 178.845 176.117 -0.018 0.000 1.115 512 I CA 1.548 62.832 61.300 -0.026 0.000 1.392 512 I CB -0.337 37.639 38.000 -0.042 0.000 1.065 512 I HN 0.365 nan 8.210 nan 0.000 0.418 513 S N 0.953 116.640 115.700 -0.023 0.000 2.469 513 S HA -0.160 4.311 4.470 0.001 0.000 0.238 513 S C 1.961 176.558 174.600 -0.004 0.000 0.998 513 S CA 0.830 59.020 58.200 -0.016 0.000 0.957 513 S CB -0.413 62.775 63.200 -0.021 0.000 0.764 513 S HN 0.443 nan 8.310 nan 0.000 0.514 514 R N 1.012 121.515 120.500 0.004 0.000 2.276 514 R HA 0.297 4.637 4.340 0.001 0.000 0.196 514 R C 1.603 177.913 176.300 0.017 0.000 0.961 514 R CA 0.322 56.431 56.100 0.015 0.000 1.024 514 R CB -0.586 29.732 30.300 0.031 0.000 0.940 514 R HN 0.559 nan 8.270 nan 0.000 0.480 515 G N 0.364 109.171 108.800 0.012 0.000 2.682 515 G HA2 -0.193 3.768 3.960 0.001 0.000 0.256 515 G HA3 -0.193 3.768 3.960 0.001 0.000 0.256 515 G C 0.526 175.438 174.900 0.019 0.000 1.333 515 G CA -0.289 44.819 45.100 0.012 0.000 0.904 515 G HN 0.610 nan 8.290 nan 0.000 0.569 516 G N -1.056 107.753 108.800 0.016 0.000 2.594 516 G HA2 -0.266 3.695 3.960 0.001 0.000 0.297 516 G HA3 -0.266 3.695 3.960 0.001 0.000 0.297 516 G C 1.149 176.061 174.900 0.019 0.000 1.273 516 G CA 1.547 46.658 45.100 0.018 0.000 0.974 516 G HN 1.479 nan 8.290 nan 0.000 0.552 517 R N 0.334 120.850 120.500 0.026 0.000 2.115 517 R HA 0.158 4.499 4.340 0.001 0.000 0.230 517 R C 3.187 179.518 176.300 0.052 0.000 1.111 517 R CA 1.678 57.795 56.100 0.028 0.000 0.976 517 R CB -0.503 29.820 30.300 0.039 0.000 0.870 517 R HN 0.645 nan 8.270 nan 0.000 0.445 518 A N 1.594 124.456 122.820 0.071 0.000 1.902 518 A HA -0.127 4.194 4.320 0.001 0.000 0.217 518 A C 2.410 180.025 177.584 0.051 0.000 1.181 518 A CA 1.699 53.793 52.037 0.095 0.000 0.623 518 A CB -0.648 18.412 19.000 0.100 0.000 0.818 518 A HN 0.377 nan 8.150 nan 0.000 0.443 519 A N -0.577 122.262 122.820 0.032 0.000 1.933 519 A HA -0.003 4.317 4.320 0.001 0.000 0.218 519 A C 2.206 179.806 177.584 0.026 0.000 1.175 519 A CA 1.778 53.826 52.037 0.018 0.000 0.628 519 A CB -0.877 18.131 19.000 0.014 0.000 0.814 519 A HN 0.401 nan 8.150 nan 0.000 0.444 520 V N -0.789 119.138 119.914 0.020 0.000 2.343 520 V HA -0.332 3.789 4.120 0.001 0.000 0.247 520 V C 2.647 178.746 176.094 0.007 0.000 1.051 520 V CA 2.004 64.312 62.300 0.014 0.000 1.036 520 V CB -1.199 30.568 31.823 -0.092 0.000 0.654 520 V HN 0.722 nan 8.190 nan 0.000 0.451 521 C N 0.808 120.094 119.300 -0.023 0.000 2.413 521 C HA -0.122 4.339 4.460 0.001 0.000 0.276 521 C C 2.953 177.913 174.990 -0.050 0.000 1.236 521 C CA 0.962 59.926 59.018 -0.091 0.000 1.735 521 C CB -1.737 25.918 27.740 -0.141 0.000 2.031 521 C HN 0.685 nan 8.230 nan 0.000 0.474 522 G N -0.110 108.693 108.800 0.006 0.000 2.421 522 G HA2 -0.203 3.758 3.960 0.001 0.000 0.216 522 G HA3 -0.203 3.758 3.960 0.001 0.000 0.216 522 G C 1.802 176.734 174.900 0.053 0.000 1.171 522 G CA 0.550 45.686 45.100 0.060 0.000 0.775 522 G HN 0.585 nan 8.290 nan 0.000 0.543 523 R N -1.229 119.283 120.500 0.021 0.000 2.075 523 R HA -0.009 4.332 4.340 0.001 0.000 0.232 523 R C 2.353 178.565 176.300 -0.146 0.000 1.126 523 R CA 1.306 57.382 56.100 -0.040 0.000 0.963 523 R CB -0.325 29.973 30.300 -0.004 0.000 0.858 523 R HN 0.463 nan 8.270 nan 0.000 0.435 524 Y N 0.246 120.381 120.300 -0.275 0.000 2.230 524 Y HA 0.021 4.571 4.550 0.001 0.000 0.294 524 Y C 2.094 177.715 175.900 -0.464 0.000 1.120 524 Y CA 0.811 58.591 58.100 -0.534 0.000 1.129 524 Y CB -0.147 37.789 38.460 -0.874 0.000 1.040 524 Y HN -0.088 nan 8.280 nan 0.000 0.519 525 L N -1.727 119.368 121.223 -0.213 0.000 2.291 525 L HA -0.121 4.219 4.340 0.001 0.000 0.214 525 L C 0.489 177.085 176.870 -0.458 0.000 1.120 525 L CA 1.168 55.835 54.840 -0.289 0.000 0.799 525 L CB -0.277 41.457 42.059 -0.542 0.000 0.925 525 L HN 0.161 nan 8.230 nan 0.000 0.446 526 F N -1.579 118.296 119.950 -0.125 0.000 2.791 526 F HA 0.191 4.719 4.527 0.001 0.000 0.308 526 F C 1.607 177.108 175.800 -0.498 0.000 1.138 526 F CA -0.306 57.415 58.000 -0.466 0.000 1.294 526 F CB -0.628 38.090 39.000 -0.470 0.000 0.975 526 F HN 0.004 nan 8.300 nan 0.000 0.512 527 N N 0.915 119.540 118.700 -0.125 0.000 2.364 527 N HA -0.162 4.579 4.740 0.001 0.000 0.183 527 N C 1.825 177.320 175.510 -0.026 0.000 1.022 527 N CA 1.261 54.257 53.050 -0.089 0.000 0.883 527 N CB -0.029 38.416 38.487 -0.069 0.000 0.965 527 N HN 0.598 nan 8.380 nan 0.000 0.438 528 W N -0.099 121.236 121.300 0.058 0.000 2.611 528 W HA 0.170 4.831 4.660 0.001 0.000 0.251 528 W C 0.595 177.166 176.519 0.088 0.000 1.265 528 W CA 0.261 57.648 57.345 0.070 0.000 1.295 528 W CB -0.380 29.130 29.460 0.084 0.000 1.129 528 W HN -0.032 nan 8.180 nan 0.000 0.630 529 A N 1.424 123.938 122.820 -0.510 0.000 2.713 529 A HA 0.473 4.794 4.320 0.001 0.000 0.296 529 A C -0.562 176.874 177.584 -0.246 0.000 1.255 529 A CA -0.171 51.567 52.037 -0.498 0.000 0.955 529 A CB -0.301 18.080 19.000 -1.032 0.000 1.149 529 A HN 0.045 nan 8.150 nan 0.000 0.538 530 V N -0.464 119.368 119.914 -0.137 0.000 2.841 530 V HA 0.398 4.518 4.120 0.001 0.000 0.310 530 V C 0.968 177.032 176.094 -0.050 0.000 1.090 530 V CA -0.487 61.754 62.300 -0.098 0.000 0.930 530 V CB 2.109 33.867 31.823 -0.108 0.000 1.014 530 V HN 0.464 nan 8.190 nan 0.000 0.425 531 K N 3.485 123.861 120.400 -0.041 0.000 1.985 531 K HA 0.005 4.325 4.320 0.001 0.000 0.210 531 K C 0.725 177.309 176.600 -0.028 0.000 1.047 531 K CA 2.203 58.475 56.287 -0.025 0.000 0.932 531 K CB -0.396 32.089 32.500 -0.024 0.000 0.716 531 K HN 0.700 nan 8.250 nan 0.000 0.439 532 T N 3.121 117.653 114.554 -0.036 0.000 2.811 532 T HA 0.191 4.542 4.350 0.001 0.000 0.309 532 T C -0.850 173.822 174.700 -0.046 0.000 1.005 532 T CA -0.670 61.408 62.100 -0.037 0.000 0.955 532 T CB 0.784 69.631 68.868 -0.035 0.000 0.970 532 T HN 0.068 nan 8.240 nan 0.000 0.496 533 K N 3.417 123.791 120.400 -0.043 0.000 2.489 533 K HA 0.150 4.471 4.320 0.001 0.000 0.278 533 K C 0.387 176.948 176.600 -0.064 0.000 1.000 533 K CA -0.054 56.202 56.287 -0.051 0.000 1.012 533 K CB 0.752 33.228 32.500 -0.039 0.000 0.903 533 K HN 0.540 nan 8.250 nan 0.000 0.485 534 L N 2.029 123.198 121.223 -0.090 0.000 2.453 534 L HA 0.180 4.521 4.340 0.001 0.000 0.261 534 L C 0.965 177.768 176.870 -0.113 0.000 1.179 534 L CA -0.304 54.472 54.840 -0.106 0.000 0.813 534 L CB 0.331 42.303 42.059 -0.146 0.000 1.110 534 L HN 0.439 nan 8.230 nan 0.000 0.466 535 K N 2.936 123.279 120.400 -0.096 0.000 2.285 535 K HA 0.387 4.707 4.320 0.001 0.000 0.286 535 K C -1.037 175.487 176.600 -0.127 0.000 1.072 535 K CA -0.434 55.804 56.287 -0.082 0.000 0.913 535 K CB 0.477 32.951 32.500 -0.044 0.000 1.067 535 K HN 0.470 nan 8.250 nan 0.000 0.479 536 L N 4.337 125.467 121.223 -0.156 0.000 2.292 536 L HA 0.309 4.650 4.340 0.001 0.000 0.284 536 L C 0.490 177.351 176.870 -0.016 0.000 1.065 536 L CA -0.608 54.075 54.840 -0.263 0.000 0.806 536 L CB 1.471 43.290 42.059 -0.400 0.000 1.175 536 L HN 0.756 nan 8.230 nan 0.000 0.431 537 T N 0.305 114.920 114.554 0.101 0.000 2.924 537 T HA 0.572 4.922 4.350 0.001 0.000 0.291 537 T C -2.692 172.150 174.700 0.238 0.000 1.045 537 T CA -2.449 59.742 62.100 0.150 0.000 1.015 537 T CB 1.754 70.682 68.868 0.100 0.000 1.103 537 T HN 0.184 nan 8.240 nan 0.000 0.496 538 P HA 0.168 nan 4.420 nan 0.000 0.264 538 P C -0.617 176.734 177.300 0.085 0.000 1.183 538 P CA -0.104 63.075 63.100 0.132 0.000 0.763 538 P CB 0.201 31.950 31.700 0.082 0.000 0.807 539 L N 6.877 128.119 121.223 0.030 0.000 2.319 539 L HA 0.177 4.517 4.340 0.001 0.000 0.280 539 L C -1.147 175.702 176.870 -0.035 0.000 1.099 539 L CA -1.584 53.218 54.840 -0.064 0.000 0.828 539 L CB 0.839 42.789 42.059 -0.181 0.000 1.150 539 L HN 0.334 nan 8.230 nan 0.000 0.442 540 P HA -0.192 nan 4.420 nan 0.000 0.216 540 P C 1.153 178.431 177.300 -0.036 0.000 1.153 540 P CA 1.172 64.257 63.100 -0.025 0.000 0.858 540 P CB 0.270 31.957 31.700 -0.021 0.000 0.789 541 E N -0.679 119.490 120.200 -0.052 0.000 2.130 541 E HA -0.224 4.127 4.350 0.001 0.000 0.196 541 E C 1.992 178.558 176.600 -0.057 0.000 0.998 541 E CA 1.334 57.701 56.400 -0.054 0.000 0.806 541 E CB -0.483 29.178 29.700 -0.065 0.000 0.738 541 E HN 0.169 nan 8.360 nan 0.000 0.459 542 A N 0.864 123.652 122.820 -0.053 0.000 2.015 542 A HA -0.124 4.196 4.320 0.001 0.000 0.219 542 A C 1.926 179.480 177.584 -0.050 0.000 1.163 542 A CA 0.846 52.854 52.037 -0.049 0.000 0.646 542 A CB -0.217 18.771 19.000 -0.020 0.000 0.806 542 A HN 0.081 nan 8.150 nan 0.000 0.448 543 R N -0.534 119.944 120.500 -0.037 0.000 2.280 543 R HA 0.125 4.465 4.340 0.001 0.000 0.207 543 R C 0.946 177.221 176.300 -0.042 0.000 1.043 543 R CA 0.532 56.612 56.100 -0.032 0.000 1.006 543 R CB -0.215 30.073 30.300 -0.019 0.000 0.885 543 R HN 0.495 nan 8.270 nan 0.000 0.467 544 L N 0.709 121.901 121.223 -0.051 0.000 2.592 544 L HA 0.181 4.521 4.340 0.001 0.000 0.227 544 L C 0.218 177.041 176.870 -0.078 0.000 1.127 544 L CA 0.071 54.879 54.840 -0.054 0.000 0.884 544 L CB 0.076 42.107 42.059 -0.046 0.000 1.065 544 L HN 0.039 nan 8.230 nan 0.000 0.457 545 L N 0.376 121.539 121.223 -0.101 0.000 2.295 545 L HA 0.361 4.702 4.340 0.001 0.000 0.285 545 L C -0.577 176.201 176.870 -0.152 0.000 1.035 545 L CA -0.377 54.369 54.840 -0.157 0.000 0.806 545 L CB 1.594 43.527 42.059 -0.208 0.000 1.214 545 L HN -0.133 nan 8.230 nan 0.000 0.426 546 D N 4.046 124.344 120.400 -0.170 0.000 2.461 546 D HA 0.303 4.944 4.640 0.001 0.000 0.240 546 D C 0.033 176.204 176.300 -0.215 0.000 1.094 546 D CA -0.259 53.655 54.000 -0.143 0.000 0.868 546 D CB 1.243 41.991 40.800 -0.087 0.000 1.062 546 D HN 0.395 nan 8.370 nan 0.000 0.530 547 L N 2.748 123.833 121.223 -0.230 0.000 2.818 547 L HA 0.079 4.420 4.340 0.001 0.000 0.243 547 L C 2.030 178.876 176.870 -0.039 0.000 1.185 547 L CA -0.097 54.569 54.840 -0.291 0.000 0.988 547 L CB 0.072 41.876 42.059 -0.426 0.000 1.292 547 L HN 0.296 nan 8.230 nan 0.000 0.519 548 S N -0.427 115.266 115.700 -0.012 0.000 2.399 548 S HA -0.156 4.315 4.470 0.001 0.000 0.231 548 S C 1.648 176.311 174.600 0.104 0.000 1.022 548 S CA 1.293 59.526 58.200 0.055 0.000 0.983 548 S CB -0.296 62.923 63.200 0.033 0.000 0.803 548 S HN 0.505 nan 8.310 nan 0.000 0.480 549 S N -1.594 114.156 115.700 0.084 0.000 2.601 549 S HA 0.263 4.733 4.470 0.001 0.000 0.244 549 S C 0.600 175.263 174.600 0.104 0.000 1.001 549 S CA -0.626 57.632 58.200 0.097 0.000 0.984 549 S CB -0.562 62.672 63.200 0.057 0.000 0.842 549 S HN 0.553 nan 8.310 nan 0.000 0.474 550 W N 1.984 123.183 121.300 -0.169 0.000 2.374 550 W HA 0.117 4.778 4.660 0.001 0.000 0.288 550 W C 0.857 177.085 176.519 -0.486 0.000 1.218 550 W CA 0.358 57.474 57.345 -0.382 0.000 1.245 550 W CB -0.594 28.511 29.460 -0.592 0.000 1.126 550 W HN 0.466 nan 8.180 nan 0.000 0.545 551 F N -1.422 118.528 119.950 -0.000 0.000 2.317 551 F HA -0.046 4.482 4.527 0.001 0.000 0.293 551 F C 2.423 178.211 175.800 -0.021 0.000 1.085 551 F CA 1.603 59.520 58.000 -0.139 0.000 1.390 551 F CB -1.171 37.710 39.000 -0.197 0.000 1.077 551 F HN -0.419 nan 8.300 nan 0.000 0.517 552 T N 0.610 115.269 114.554 0.175 0.000 2.699 552 T HA -0.190 4.160 4.350 0.001 0.000 0.268 552 T C 2.261 176.994 174.700 0.056 0.000 1.036 552 T CA 1.884 64.062 62.100 0.129 0.000 1.147 552 T CB -0.670 68.260 68.868 0.104 0.000 0.862 552 T HN 0.264 nan 8.240 nan 0.000 0.446 553 V N 0.267 120.163 119.914 -0.030 0.000 2.913 553 V HA 0.128 4.249 4.120 0.001 0.000 0.260 553 V C 2.467 178.584 176.094 0.038 0.000 1.098 553 V CA 1.622 63.894 62.300 -0.048 0.000 1.121 553 V CB -1.426 30.158 31.823 -0.397 0.000 0.714 553 V HN 0.449 nan 8.190 nan 0.000 0.487 554 G N -0.370 108.395 108.800 -0.057 0.000 2.598 554 G HA2 0.228 4.189 3.960 0.001 0.000 0.215 554 G HA3 0.228 4.189 3.960 0.001 0.000 0.215 554 G C 1.248 176.151 174.900 0.004 0.000 1.131 554 G CA 0.529 45.605 45.100 -0.039 0.000 0.785 554 G HN 1.693 nan 8.290 nan 0.000 0.539 555 A N -1.366 121.468 122.820 0.023 0.000 2.826 555 A HA 0.162 4.482 4.320 0.001 0.000 0.274 555 A C 2.030 179.523 177.584 -0.152 0.000 1.443 555 A CA 1.698 53.731 52.037 -0.007 0.000 0.833 555 A CB -1.689 17.307 19.000 -0.007 0.000 1.023 555 A HN 2.325 nan 8.150 nan 0.000 0.600 556 G N -3.358 105.209 108.800 -0.389 0.000 2.148 556 G HA2 0.414 4.374 3.960 0.001 0.000 0.254 556 G HA3 0.414 4.374 3.960 0.001 0.000 0.254 556 G C 0.944 175.361 174.900 -0.805 0.000 0.981 556 G CA 0.824 45.085 45.100 -1.398 0.000 0.670 556 G HN 3.233 nan 8.290 nan 0.000 0.528 557 G N -2.489 106.116 108.800 -0.325 0.000 2.515 557 G HA2 0.612 4.573 3.960 0.001 0.000 0.686 557 G HA3 0.612 4.573 3.960 0.001 0.000 0.686 557 G C 0.720 175.563 174.900 -0.095 0.000 1.274 557 G CA 0.859 45.861 45.100 -0.165 0.000 0.874 557 G HN 2.625 nan 8.290 nan 0.000 0.631 558 G N -0.508 108.259 108.800 -0.056 0.000 2.315 558 G HA2 0.461 4.422 3.960 0.001 0.000 0.296 558 G HA3 0.461 4.422 3.960 0.001 0.000 0.296 558 G C -0.665 174.212 174.900 -0.039 0.000 1.289 558 G CA 0.597 45.680 45.100 -0.028 0.000 0.996 558 G HN 1.626 nan 8.290 nan 0.000 0.487 559 D N 0.659 121.044 120.400 -0.026 0.000 2.885 559 D HA 0.425 5.065 4.640 0.001 0.000 0.234 559 D C 0.383 176.648 176.300 -0.058 0.000 1.129 559 D CA 0.231 54.205 54.000 -0.044 0.000 0.991 559 D CB -0.754 40.031 40.800 -0.025 0.000 1.137 559 D HN 0.480 nan 8.370 nan 0.000 0.459 560 I N 1.656 122.180 120.570 -0.077 0.000 2.498 560 I HA 0.284 4.454 4.170 0.001 0.000 0.290 560 I C -1.095 174.923 176.117 -0.165 0.000 1.032 560 I CA -1.278 59.953 61.300 -0.114 0.000 1.073 560 I CB 1.756 39.730 38.000 -0.043 0.000 1.251 560 I HN -0.023 nan 8.210 nan 0.000 0.426 561 Y N 5.638 125.687 120.300 -0.418 0.000 2.425 561 Y HA 0.594 5.145 4.550 0.001 0.000 0.344 561 Y C -1.287 174.198 175.900 -0.691 0.000 0.969 561 Y CA -0.518 57.298 58.100 -0.475 0.000 1.052 561 Y CB 1.391 39.650 38.460 -0.334 0.000 1.215 561 Y HN 0.534 nan 8.280 nan 0.000 0.451 562 H N 1.746 120.118 119.070 -1.163 0.000 2.771 562 H HA 0.503 5.060 4.556 0.001 0.000 0.361 562 H C -0.542 174.295 175.328 -0.818 0.000 1.108 562 H CA -0.598 54.944 56.048 -0.843 0.000 1.201 562 H CB 1.883 31.309 29.762 -0.561 0.000 1.681 562 H HN 0.691 nan 8.280 nan 0.000 0.534 563 S N 0.000 115.501 115.700 -0.331 0.000 2.498 563 S HA 0.000 4.471 4.470 0.001 0.000 0.327 563 S CA 0.000 58.138 58.200 -0.103 0.000 1.107 563 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517