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 3i5k_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL ITPCSPEEEK LPINPLSNSL LRYHNKVYCT TSKSASQRAK DATA SEQUENCE KVTFDRTQVL DAHYDSVLKD IKLAASKVSA RLLTLEEACQ LTPPHSARSK DATA SEQUENCE YGFGAKEVRS LSGRAVNHIK SVWKDLLEDP QTPIPTTIMA KNEVFCVDPA DATA SEQUENCE KGGKKPARLI VYPDLGVRVC EKMALYDITQ KLPQAVMGAS YGFQYSPAQR DATA SEQUENCE VEYLLKAWAE KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPEEAR DATA SEQUENCE TAIHSLTERL YVGGPMFNSK GQTCGYRRCR ASGVLTTSMG NTITCYVKAL DATA SEQUENCE AACKAAGIVA PTMLVCGDDL VVISESQGTE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDPPRPEYDL ELITSCSSNV SVALGPRGRR RYYLTRDPTT PLARAAWETV DATA SEQUENCE RHSPINSWLG NIIQYAPTIW VRMVLMTHFF SILMVQDTLD QNLNFEMYGS DATA SEQUENCE VYSVNPLDLP AIIERLHGLD AFSMHTYSHH ELTRVASALR KLGAPPLRVW DATA SEQUENCE KSRARAVRAS LISRGGKAAV CGRYLFNWAV KTKLKLTPLP EARLLDLSSW DATA SEQUENCE FTVGAGGGDI FHSVSV 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 0.000 174.579 174.600 -0.035 0.000 1.055 1 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 1 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 2 M N 3.207 122.783 119.600 -0.040 0.000 2.219 2 M HA 0.247 4.728 4.480 0.001 0.000 0.353 2 M C 1.942 178.151 176.300 -0.151 0.000 1.304 2 M CA 0.009 55.278 55.300 -0.052 0.000 1.115 2 M CB 0.544 33.137 32.600 -0.011 0.000 1.664 2 M HN 1.078 nan 8.290 nan 0.000 0.459 3 S N 3.040 118.587 115.700 -0.256 0.000 2.374 3 S HA -0.128 4.343 4.470 0.001 0.000 0.227 3 S C 0.196 174.405 174.600 -0.653 0.000 1.037 3 S CA 1.100 59.017 58.200 -0.472 0.000 1.024 3 S CB -0.263 62.559 63.200 -0.630 0.000 0.861 3 S HN 0.649 nan 8.310 nan 0.000 0.456 4 Y N 0.705 120.875 120.300 -0.216 0.000 2.581 4 Y HA 0.624 5.175 4.550 0.001 0.000 0.345 4 Y C 0.027 175.687 175.900 -0.399 0.000 1.036 4 Y CA -0.796 57.068 58.100 -0.394 0.000 1.042 4 Y CB 2.067 40.136 38.460 -0.652 0.000 1.289 4 Y HN 0.254 nan 8.280 nan 0.000 0.471 5 S N -0.337 115.156 115.700 -0.345 0.000 2.599 5 S HA 0.817 5.288 4.470 0.001 0.000 0.294 5 S C -1.728 172.556 174.600 -0.527 0.000 1.094 5 S CA -0.836 57.190 58.200 -0.289 0.000 0.931 5 S CB 1.643 64.788 63.200 -0.092 0.000 1.093 5 S HN 0.602 nan 8.310 nan 0.000 0.488 6 W N -0.048 121.278 121.300 0.044 0.000 2.936 6 W HA 0.471 5.132 4.660 0.001 0.000 0.338 6 W C 1.168 177.685 176.519 -0.004 0.000 1.121 6 W CA -0.454 56.897 57.345 0.009 0.000 1.209 6 W CB 2.034 31.490 29.460 -0.006 0.000 1.420 6 W HN 0.883 nan 8.180 nan 0.000 0.516 7 T N -2.289 112.397 114.554 0.220 0.000 3.009 7 T HA 0.317 4.668 4.350 0.001 0.000 0.258 7 T C 1.454 176.218 174.700 0.106 0.000 1.063 7 T CA 1.130 63.297 62.100 0.112 0.000 1.139 7 T CB -0.004 68.895 68.868 0.053 0.000 0.890 7 T HN 1.263 nan 8.240 nan 0.000 0.471 8 G N 1.347 110.222 108.800 0.125 0.000 2.316 8 G HA2 0.057 4.017 3.960 0.001 0.000 0.203 8 G HA3 0.057 4.017 3.960 0.001 0.000 0.203 8 G C 0.395 175.318 174.900 0.039 0.000 0.999 8 G CA -0.155 44.982 45.100 0.061 0.000 0.649 8 G HN 1.084 nan 8.290 nan 0.000 0.489 9 A N 1.397 124.251 122.820 0.056 0.000 2.565 9 A HA 0.530 4.851 4.320 0.001 0.000 0.237 9 A C 0.677 178.282 177.584 0.034 0.000 1.053 9 A CA 0.387 52.450 52.037 0.044 0.000 0.755 9 A CB 0.182 19.212 19.000 0.049 0.000 0.980 9 A HN 0.910 nan 8.150 nan 0.000 0.506 10 L N 2.060 123.292 121.223 0.016 0.000 2.464 10 L HA 0.219 4.560 4.340 0.001 0.000 0.264 10 L C 0.583 177.461 176.870 0.013 0.000 1.199 10 L CA 0.236 55.074 54.840 -0.004 0.000 0.818 10 L CB 0.275 42.332 42.059 -0.004 0.000 1.102 10 L HN 0.558 nan 8.230 nan 0.000 0.473 11 I N 1.456 122.021 120.570 -0.007 0.000 2.337 11 I HA 0.208 4.378 4.170 0.001 0.000 0.291 11 I C 0.278 176.407 176.117 0.021 0.000 1.046 11 I CA -0.229 61.082 61.300 0.017 0.000 1.324 11 I CB 0.561 38.561 38.000 -0.001 0.000 1.409 11 I HN 0.656 nan 8.210 nan 0.000 0.494 12 T N 4.580 119.156 114.554 0.037 0.000 2.888 12 T HA 0.627 4.977 4.350 0.001 0.000 0.284 12 T C -2.503 172.225 174.700 0.046 0.000 1.017 12 T CA -2.058 60.064 62.100 0.037 0.000 1.022 12 T CB 1.945 70.835 68.868 0.037 0.000 1.013 12 T HN 0.244 nan 8.240 nan 0.000 0.465 13 P HA 0.314 nan 4.420 nan 0.000 0.278 13 P C 0.619 177.948 177.300 0.048 0.000 1.266 13 P CA -0.748 62.382 63.100 0.050 0.000 0.807 13 P CB 0.752 32.481 31.700 0.049 0.000 1.094 14 C N -2.068 117.262 119.300 0.051 0.000 2.469 14 C HA 0.238 4.699 4.460 0.001 0.000 0.309 14 C C 1.134 176.147 174.990 0.038 0.000 1.385 14 C CA 0.216 59.259 59.018 0.043 0.000 1.890 14 C CB -1.089 26.678 27.740 0.046 0.000 2.245 14 C HN 0.602 nan 8.230 nan 0.000 0.530 15 S N 1.638 117.363 115.700 0.041 0.000 2.593 15 S HA 0.702 5.173 4.470 0.001 0.000 0.297 15 S C -2.994 171.636 174.600 0.050 0.000 1.112 15 S CA -0.927 57.298 58.200 0.042 0.000 1.043 15 S CB 0.247 63.471 63.200 0.040 0.000 1.054 15 S HN 0.235 nan 8.310 nan 0.000 0.516 16 P HA 0.243 nan 4.420 nan 0.000 0.268 16 P C -0.548 176.798 177.300 0.077 0.000 1.208 16 P CA -0.058 63.077 63.100 0.058 0.000 0.777 16 P CB 0.296 32.028 31.700 0.053 0.000 0.875 17 E N 0.582 120.834 120.200 0.087 0.000 2.299 17 E HA 0.436 4.787 4.350 0.001 0.000 0.265 17 E C -0.758 175.931 176.600 0.149 0.000 0.911 17 E CA -0.801 55.669 56.400 0.116 0.000 0.789 17 E CB 1.715 31.474 29.700 0.098 0.000 1.246 17 E HN 0.395 nan 8.360 nan 0.000 0.427 18 E N 0.913 121.249 120.200 0.227 0.000 2.222 18 E HA 0.108 4.459 4.350 0.001 0.000 0.267 18 E C -0.191 176.633 176.600 0.373 0.000 0.884 18 E CA -0.299 56.273 56.400 0.287 0.000 0.764 18 E CB 1.636 31.536 29.700 0.332 0.000 1.169 18 E HN 0.613 nan 8.360 nan 0.000 0.413 19 E N 1.731 122.121 120.200 0.316 0.000 2.431 19 E HA 0.131 4.482 4.350 0.001 0.000 0.200 19 E C -0.131 176.734 176.600 0.442 0.000 0.995 19 E CA 0.166 56.763 56.400 0.329 0.000 0.915 19 E CB 0.520 30.357 29.700 0.228 0.000 0.930 19 E HN 0.135 nan 8.360 nan 0.000 0.496 20 K N 1.371 122.014 120.400 0.404 0.000 2.182 20 K HA 0.307 4.628 4.320 0.001 0.000 0.262 20 K C -0.793 175.968 176.600 0.268 0.000 0.957 20 K CA -1.043 55.456 56.287 0.353 0.000 0.842 20 K CB 2.226 34.854 32.500 0.214 0.000 1.099 20 K HN -0.042 nan 8.250 nan 0.000 0.438 21 L N 4.989 126.393 121.223 0.301 0.000 2.477 21 L HA 0.137 4.478 4.340 0.001 0.000 0.272 21 L C -2.378 174.411 176.870 -0.134 0.000 1.157 21 L CA -1.104 53.720 54.840 -0.027 0.000 0.889 21 L CB -0.048 42.141 42.059 0.217 0.000 1.158 21 L HN 0.406 nan 8.230 nan 0.000 0.473 22 P HA 0.169 nan 4.420 nan 0.000 0.271 22 P C -0.669 176.495 177.300 -0.227 0.000 1.220 22 P CA -0.237 62.715 63.100 -0.247 0.000 0.768 22 P CB 0.654 32.189 31.700 -0.276 0.000 0.848 23 I N 2.897 123.301 120.570 -0.277 0.000 2.396 23 I HA 0.317 4.488 4.170 0.001 0.000 0.289 23 I C -0.397 175.622 176.117 -0.163 0.000 1.056 23 I CA 0.422 61.542 61.300 -0.300 0.000 1.365 23 I CB -0.389 37.306 38.000 -0.508 0.000 1.407 23 I HN 0.271 nan 8.210 nan 0.000 0.509 24 N N 7.194 125.829 118.700 -0.107 0.000 2.446 24 N HA 0.363 5.104 4.740 0.001 0.000 0.272 24 N C -2.636 172.849 175.510 -0.042 0.000 1.127 24 N CA -1.292 51.715 53.050 -0.073 0.000 0.896 24 N CB 2.633 41.073 38.487 -0.079 0.000 1.658 24 N HN 0.181 nan 8.380 nan 0.000 0.483 25 P HA -0.019 nan 4.420 nan 0.000 0.216 25 P C 1.626 178.919 177.300 -0.012 0.000 1.150 25 P CA 0.941 64.027 63.100 -0.024 0.000 0.837 25 P CB 0.493 32.176 31.700 -0.027 0.000 0.786 26 L N -0.473 120.743 121.223 -0.011 0.000 2.017 26 L HA -0.160 4.181 4.340 0.001 0.000 0.208 26 L C 2.534 179.449 176.870 0.074 0.000 1.073 26 L CA 2.317 57.162 54.840 0.008 0.000 0.745 26 L CB -1.236 40.812 42.059 -0.019 0.000 0.894 26 L HN 0.131 nan 8.230 nan 0.000 0.432 27 S N -1.192 114.533 115.700 0.041 0.000 2.395 27 S HA -0.160 4.311 4.470 0.001 0.000 0.225 27 S C 1.740 176.355 174.600 0.025 0.000 1.027 27 S CA 0.848 59.073 58.200 0.041 0.000 0.965 27 S CB -0.628 62.580 63.200 0.013 0.000 0.812 27 S HN 0.407 nan 8.310 nan 0.000 0.482 28 N N 1.983 120.693 118.700 0.017 0.000 2.272 28 N HA -0.130 4.610 4.740 0.001 0.000 0.185 28 N C 1.622 177.134 175.510 0.003 0.000 1.014 28 N CA 1.540 54.601 53.050 0.018 0.000 0.870 28 N CB -0.187 38.306 38.487 0.010 0.000 0.975 28 N HN 0.686 nan 8.380 nan 0.000 0.433 29 S N -0.277 115.430 115.700 0.011 0.000 2.527 29 S HA -0.033 4.438 4.470 0.001 0.000 0.222 29 S C 1.815 176.428 174.600 0.023 0.000 0.985 29 S CA -0.032 58.161 58.200 -0.013 0.000 0.921 29 S CB 0.048 63.238 63.200 -0.016 0.000 0.772 29 S HN 0.225 nan 8.310 nan 0.000 0.529 30 L N 1.073 122.326 121.223 0.051 0.000 2.084 30 L HA 0.463 4.804 4.340 0.001 0.000 0.202 30 L C -0.021 176.904 176.870 0.093 0.000 1.074 30 L CA 1.088 55.969 54.840 0.068 0.000 0.757 30 L CB -0.256 41.584 42.059 -0.366 0.000 0.918 30 L HN 0.583 nan 8.230 nan 0.000 0.444 31 L N -4.325 116.908 121.223 0.017 0.000 2.482 31 L HA 0.530 4.871 4.340 0.001 0.000 0.263 31 L C 0.365 177.223 176.870 -0.019 0.000 0.957 31 L CA -0.484 54.350 54.840 -0.010 0.000 0.836 31 L CB 1.705 43.769 42.059 0.009 0.000 1.324 31 L HN -0.108 nan 8.230 nan 0.000 0.406 32 R N 0.690 121.111 120.500 -0.131 0.000 2.173 32 R HA 0.199 4.540 4.340 0.001 0.000 0.208 32 R C -0.254 176.104 176.300 0.096 0.000 1.035 32 R CA 0.582 56.645 56.100 -0.061 0.000 1.004 32 R CB 0.043 30.238 30.300 -0.177 0.000 0.917 32 R HN 0.565 nan 8.270 nan 0.000 0.462 33 Y N 2.691 123.012 120.300 0.036 0.000 2.667 33 Y HA 0.041 4.592 4.550 0.001 0.000 0.340 33 Y C 1.495 177.363 175.900 -0.053 0.000 1.303 33 Y CA -1.068 56.998 58.100 -0.056 0.000 1.769 33 Y CB -1.104 37.338 38.460 -0.030 0.000 1.804 33 Y HN 0.189 nan 8.280 nan 0.000 0.451 34 H N -1.383 117.811 119.070 0.207 0.000 2.457 34 H HA -0.077 4.479 4.556 0.001 0.000 0.294 34 H C 0.661 176.091 175.328 0.171 0.000 1.064 34 H CA 1.114 57.256 56.048 0.156 0.000 1.330 34 H CB 0.133 29.955 29.762 0.101 0.000 1.395 34 H HN 0.295 nan 8.280 nan 0.000 0.541 35 N N 1.383 119.994 118.700 -0.149 0.000 2.453 35 N HA -0.066 4.675 4.740 0.001 0.000 0.183 35 N C 1.446 177.016 175.510 0.100 0.000 1.041 35 N CA 0.591 53.650 53.050 0.015 0.000 0.900 35 N CB -0.030 38.394 38.487 -0.105 0.000 0.961 35 N HN 0.538 nan 8.380 nan 0.000 0.443 36 K N 0.073 120.546 120.400 0.121 0.000 2.365 36 K HA 0.116 4.436 4.320 0.001 0.000 0.197 36 K C 0.083 176.847 176.600 0.273 0.000 1.042 36 K CA 0.203 56.592 56.287 0.171 0.000 0.987 36 K CB 0.688 33.283 32.500 0.158 0.000 0.779 36 K HN -0.069 nan 8.250 nan 0.000 0.484 37 V N 2.568 122.656 119.914 0.290 0.000 2.439 37 V HA 0.200 4.321 4.120 0.001 0.000 0.282 37 V C -0.537 175.812 176.094 0.426 0.000 1.039 37 V CA -0.770 61.722 62.300 0.320 0.000 0.913 37 V CB 0.252 32.257 31.823 0.303 0.000 0.983 37 V HN 0.169 nan 8.190 nan 0.000 0.460 38 Y N 2.474 122.902 120.300 0.213 0.000 2.605 38 Y HA 0.808 5.358 4.550 0.001 0.000 0.343 38 Y C -0.538 175.369 175.900 0.011 0.000 1.036 38 Y CA -1.287 56.929 58.100 0.192 0.000 1.065 38 Y CB 1.476 40.029 38.460 0.155 0.000 1.288 38 Y HN 0.581 nan 8.280 nan 0.000 0.481 39 C N 3.040 122.315 119.300 -0.041 0.000 2.379 39 C HA 0.673 5.134 4.460 0.001 0.000 0.323 39 C C 0.377 175.384 174.990 0.028 0.000 1.262 39 C CA -0.003 58.806 59.018 -0.349 0.000 1.581 39 C CB 0.213 27.508 27.740 -0.742 0.000 2.221 39 C HN 1.038 nan 8.230 nan 0.000 0.497 40 T N 3.280 117.850 114.554 0.026 0.000 2.919 40 T HA 0.563 4.914 4.350 0.001 0.000 0.302 40 T C 0.169 174.916 174.700 0.079 0.000 1.031 40 T CA 0.155 62.349 62.100 0.158 0.000 1.127 40 T CB 0.865 69.855 68.868 0.202 0.000 0.952 40 T HN 1.034 nan 8.240 nan 0.000 0.540 41 T N -1.313 113.299 114.554 0.097 0.000 2.838 41 T HA 0.481 4.832 4.350 0.001 0.000 0.292 41 T C 1.401 176.137 174.700 0.060 0.000 1.113 41 T CA -0.257 61.886 62.100 0.072 0.000 1.008 41 T CB 1.162 70.079 68.868 0.083 0.000 1.259 41 T HN 0.753 nan 8.240 nan 0.000 0.520 42 S N -0.214 115.516 115.700 0.050 0.000 2.465 42 S HA -0.150 4.321 4.470 0.001 0.000 0.241 42 S C 1.734 176.346 174.600 0.021 0.000 1.000 42 S CA 1.146 59.366 58.200 0.034 0.000 0.964 42 S CB -0.714 62.507 63.200 0.035 0.000 0.763 42 S HN 0.793 nan 8.310 nan 0.000 0.512 43 K N 1.739 122.157 120.400 0.031 0.000 2.152 43 K HA -0.104 4.217 4.320 0.001 0.000 0.206 43 K C 1.678 178.282 176.600 0.006 0.000 1.048 43 K CA 1.554 57.853 56.287 0.021 0.000 0.933 43 K CB -0.269 32.252 32.500 0.035 0.000 0.721 43 K HN 0.627 nan 8.250 nan 0.000 0.447 44 S N -1.312 114.397 115.700 0.014 0.000 2.582 44 S HA 0.274 4.745 4.470 0.001 0.000 0.234 44 S C 1.440 176.028 174.600 -0.020 0.000 0.961 44 S CA 0.038 58.238 58.200 0.001 0.000 0.953 44 S CB 0.958 64.173 63.200 0.025 0.000 0.800 44 S HN 0.308 nan 8.310 nan 0.000 0.471 45 A N 2.175 124.976 122.820 -0.031 0.000 1.898 45 A HA 0.032 4.353 4.320 0.001 0.000 0.216 45 A C 2.374 179.877 177.584 -0.135 0.000 1.181 45 A CA 1.714 53.715 52.037 -0.059 0.000 0.620 45 A CB -1.150 17.822 19.000 -0.047 0.000 0.819 45 A HN 0.542 nan 8.150 nan 0.000 0.442 46 S N -0.891 114.718 115.700 -0.152 0.000 2.382 46 S HA -0.189 4.282 4.470 0.001 0.000 0.228 46 S C 2.135 176.623 174.600 -0.187 0.000 1.027 46 S CA 1.342 59.409 58.200 -0.222 0.000 0.991 46 S CB -0.269 62.826 63.200 -0.176 0.000 0.823 46 S HN 0.707 nan 8.310 nan 0.000 0.469 47 Q N 0.643 120.377 119.800 -0.111 0.000 2.084 47 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 47 Q C 2.269 178.231 176.000 -0.064 0.000 0.978 47 Q CA 1.391 57.149 55.803 -0.075 0.000 0.844 47 Q CB -0.036 28.675 28.738 -0.045 0.000 0.898 47 Q HN 0.252 nan 8.270 nan 0.000 0.426 48 R N 0.229 120.692 120.500 -0.062 0.000 2.075 48 R HA -0.054 4.287 4.340 0.001 0.000 0.232 48 R C 2.017 178.281 176.300 -0.060 0.000 1.126 48 R CA 1.608 57.690 56.100 -0.030 0.000 0.963 48 R CB -0.741 29.554 30.300 -0.009 0.000 0.858 48 R HN 0.322 nan 8.270 nan 0.000 0.435 49 A N 1.191 123.891 122.820 -0.200 0.000 1.908 49 A HA -0.189 4.131 4.320 0.001 0.000 0.218 49 A C 1.856 179.322 177.584 -0.197 0.000 1.181 49 A CA 1.736 53.550 52.037 -0.371 0.000 0.627 49 A CB -0.476 17.918 19.000 -1.010 0.000 0.818 49 A HN 0.226 nan 8.150 nan 0.000 0.445 50 K N -0.075 120.225 120.400 -0.168 0.000 2.009 50 K HA -0.179 4.141 4.320 0.001 0.000 0.210 50 K C 2.045 178.700 176.600 0.090 0.000 1.049 50 K CA 1.824 58.086 56.287 -0.041 0.000 0.929 50 K CB -0.486 31.986 32.500 -0.047 0.000 0.714 50 K HN 0.626 nan 8.250 nan 0.000 0.440 51 K N 1.379 121.834 120.400 0.091 0.000 2.097 51 K HA -0.105 4.215 4.320 0.001 0.000 0.206 51 K C 1.822 178.612 176.600 0.316 0.000 1.049 51 K CA 1.354 57.743 56.287 0.170 0.000 0.933 51 K CB 0.113 32.683 32.500 0.117 0.000 0.717 51 K HN 0.096 nan 8.250 nan 0.000 0.442 52 V N -1.407 118.666 119.914 0.266 0.000 3.623 52 V HA 0.096 4.216 4.120 0.001 0.000 0.271 52 V C 0.246 176.462 176.094 0.204 0.000 1.248 52 V CA 0.258 62.741 62.300 0.304 0.000 1.156 52 V CB 0.066 32.055 31.823 0.277 0.000 0.870 52 V HN 0.006 nan 8.190 nan 0.000 0.453 53 T N 4.284 119.013 114.554 0.293 0.000 2.753 53 T HA 0.718 5.068 4.350 0.001 0.000 0.297 53 T C -0.751 174.102 174.700 0.255 0.000 0.981 53 T CA -0.052 62.213 62.100 0.276 0.000 0.956 53 T CB 0.235 69.402 68.868 0.498 0.000 0.936 53 T HN 0.612 nan 8.240 nan 0.000 0.463 54 F N -0.182 119.873 119.950 0.174 0.000 2.741 54 F HA 0.662 5.190 4.527 0.001 0.000 0.313 54 F C -1.005 174.833 175.800 0.062 0.000 1.153 54 F CA -1.736 56.326 58.000 0.103 0.000 0.931 54 F CB 0.573 39.622 39.000 0.081 0.000 1.335 54 F HN 0.149 nan 8.300 nan 0.000 0.460 55 D N 0.689 121.288 120.400 0.332 0.000 2.350 55 D HA 0.445 5.086 4.640 0.001 0.000 0.249 55 D C -0.872 175.581 176.300 0.254 0.000 1.119 55 D CA 0.054 54.169 54.000 0.192 0.000 0.886 55 D CB 0.839 41.716 40.800 0.129 0.000 1.195 55 D HN 0.551 nan 8.370 nan 0.000 0.437 56 R N 1.159 121.739 120.500 0.134 0.000 2.437 56 R HA 0.550 4.891 4.340 0.001 0.000 0.310 56 R C -0.339 175.991 176.300 0.051 0.000 0.955 56 R CA -0.708 55.462 56.100 0.116 0.000 0.851 56 R CB 1.777 32.117 30.300 0.067 0.000 1.161 56 R HN 0.423 nan 8.270 nan 0.000 0.446 57 T N -0.829 113.750 114.554 0.041 0.000 2.932 57 T HA 0.595 4.946 4.350 0.001 0.000 0.289 57 T C -0.616 174.086 174.700 0.003 0.000 1.039 57 T CA -0.952 61.156 62.100 0.012 0.000 1.024 57 T CB 2.033 70.905 68.868 0.006 0.000 1.090 57 T HN 0.473 nan 8.240 nan 0.000 0.496 58 Q N 1.059 120.852 119.800 -0.012 0.000 2.280 58 Q HA 0.561 4.901 4.340 0.001 0.000 0.259 58 Q C -2.230 173.755 176.000 -0.026 0.000 0.964 58 Q CA -0.719 55.073 55.803 -0.018 0.000 0.844 58 Q CB 2.073 30.786 28.738 -0.041 0.000 1.334 58 Q HN 0.691 nan 8.270 nan 0.000 0.423 59 V N 5.570 125.481 119.914 -0.005 0.000 2.376 59 V HA 0.448 4.569 4.120 0.001 0.000 0.287 59 V C -0.268 175.859 176.094 0.055 0.000 1.015 59 V CA -0.573 61.726 62.300 -0.002 0.000 0.834 59 V CB 1.265 33.082 31.823 -0.010 0.000 1.001 59 V HN 0.733 nan 8.190 nan 0.000 0.428 60 L N 4.685 125.900 121.223 -0.014 0.000 2.360 60 L HA 0.731 5.071 4.340 0.001 0.000 0.271 60 L C -0.133 176.780 176.870 0.073 0.000 1.057 60 L CA -0.470 54.347 54.840 -0.039 0.000 0.803 60 L CB 1.701 43.541 42.059 -0.364 0.000 1.207 60 L HN 0.775 nan 8.230 nan 0.000 0.445 61 D N 0.399 120.909 120.400 0.182 0.000 2.758 61 D HA 0.433 5.073 4.640 0.001 0.000 0.279 61 D C 0.467 176.832 176.300 0.109 0.000 1.111 61 D CA -0.404 53.680 54.000 0.140 0.000 1.109 61 D CB 1.095 42.003 40.800 0.179 0.000 1.428 61 D HN 0.397 nan 8.370 nan 0.000 0.586 62 A N -0.889 121.930 122.820 -0.003 0.000 2.019 62 A HA -0.195 4.126 4.320 0.001 0.000 0.219 62 A C 1.747 179.289 177.584 -0.069 0.000 1.164 62 A CA 1.278 53.273 52.037 -0.070 0.000 0.644 62 A CB -1.062 17.843 19.000 -0.159 0.000 0.805 62 A HN 0.613 nan 8.150 nan 0.000 0.449 63 H N -2.328 116.804 119.070 0.102 0.000 2.326 63 H HA -0.140 4.417 4.556 0.001 0.000 0.301 63 H C 1.973 177.323 175.328 0.038 0.000 1.081 63 H CA 1.815 57.913 56.048 0.082 0.000 1.334 63 H CB -0.728 29.111 29.762 0.129 0.000 1.385 63 H HN 0.714 nan 8.280 nan 0.000 0.504 64 Y N 2.322 122.651 120.300 0.048 0.000 2.128 64 Y HA -0.239 4.312 4.550 0.001 0.000 0.284 64 Y C 2.010 177.849 175.900 -0.101 0.000 1.154 64 Y CA 1.779 59.775 58.100 -0.174 0.000 1.149 64 Y CB -0.100 38.124 38.460 -0.393 0.000 0.976 64 Y HN 0.072 nan 8.280 nan 0.000 0.505 65 D N -0.691 119.807 120.400 0.163 0.000 2.123 65 D HA -0.201 4.440 4.640 0.001 0.000 0.196 65 D C 2.366 178.645 176.300 -0.034 0.000 0.992 65 D CA 1.582 55.631 54.000 0.082 0.000 0.833 65 D CB -0.531 40.318 40.800 0.082 0.000 0.954 65 D HN 0.325 nan 8.370 nan 0.000 0.455 66 S N -0.331 115.353 115.700 -0.027 0.000 2.356 66 S HA -0.108 4.362 4.470 0.001 0.000 0.223 66 S C 2.206 176.767 174.600 -0.066 0.000 1.032 66 S CA 0.696 58.879 58.200 -0.028 0.000 1.005 66 S CB -0.168 63.039 63.200 0.011 0.000 0.867 66 S HN 0.036 nan 8.310 nan 0.000 0.449 67 V N 1.984 121.825 119.914 -0.121 0.000 2.295 67 V HA -0.138 3.983 4.120 0.001 0.000 0.246 67 V C 2.345 178.327 176.094 -0.187 0.000 1.049 67 V CA 1.687 63.891 62.300 -0.161 0.000 1.024 67 V CB -0.688 30.990 31.823 -0.241 0.000 0.648 67 V HN 0.420 nan 8.190 nan 0.000 0.447 68 L N 0.428 121.462 121.223 -0.314 0.000 2.042 68 L HA -0.207 4.134 4.340 0.001 0.000 0.210 68 L C 2.433 179.239 176.870 -0.106 0.000 1.076 68 L CA 2.157 56.846 54.840 -0.250 0.000 0.749 68 L CB -0.878 41.000 42.059 -0.302 0.000 0.893 68 L HN 0.273 nan 8.230 nan 0.000 0.432 69 K N -0.755 119.598 120.400 -0.078 0.000 2.032 69 K HA -0.219 4.102 4.320 0.001 0.000 0.209 69 K C 1.769 178.355 176.600 -0.024 0.000 1.048 69 K CA 1.915 58.181 56.287 -0.036 0.000 0.927 69 K CB -0.207 32.279 32.500 -0.024 0.000 0.712 69 K HN 0.417 nan 8.250 nan 0.000 0.441 70 D N 0.726 121.112 120.400 -0.023 0.000 2.117 70 D HA -0.163 4.477 4.640 0.001 0.000 0.197 70 D C 1.998 178.302 176.300 0.008 0.000 0.987 70 D CA 1.114 55.114 54.000 -0.001 0.000 0.829 70 D CB -0.191 40.615 40.800 0.010 0.000 0.961 70 D HN 0.305 nan 8.370 nan 0.000 0.460 71 I N 0.912 121.484 120.570 0.004 0.000 2.226 71 I HA -0.261 3.909 4.170 0.001 0.000 0.245 71 I C 2.317 178.434 176.117 -0.000 0.000 1.100 71 I CA 1.187 62.498 61.300 0.017 0.000 1.374 71 I CB -0.065 37.951 38.000 0.028 0.000 1.057 71 I HN -0.062 nan 8.210 nan 0.000 0.413 72 K N 0.165 120.558 120.400 -0.011 0.000 2.097 72 K HA -0.203 4.118 4.320 0.001 0.000 0.206 72 K C 2.065 178.665 176.600 -0.001 0.000 1.049 72 K CA 1.201 57.484 56.287 -0.007 0.000 0.933 72 K CB -0.277 32.216 32.500 -0.011 0.000 0.717 72 K HN 0.140 nan 8.250 nan 0.000 0.442 73 L N 1.180 122.402 121.223 -0.001 0.000 2.017 73 L HA -0.137 4.203 4.340 0.001 0.000 0.208 73 L C 2.217 179.088 176.870 0.002 0.000 1.073 73 L CA 1.832 56.673 54.840 0.002 0.000 0.745 73 L CB -0.682 41.379 42.059 0.003 0.000 0.894 73 L HN 0.121 nan 8.230 nan 0.000 0.432 74 A N -0.450 122.371 122.820 0.002 0.000 1.902 74 A HA -0.128 4.192 4.320 0.001 0.000 0.217 74 A C 2.446 180.025 177.584 -0.009 0.000 1.181 74 A CA 1.845 53.881 52.037 -0.003 0.000 0.623 74 A CB -1.222 17.776 19.000 -0.003 0.000 0.818 74 A HN 0.584 nan 8.150 nan 0.000 0.443 75 A N 0.354 123.170 122.820 -0.006 0.000 1.972 75 A HA -0.087 4.234 4.320 0.001 0.000 0.219 75 A C 2.404 179.991 177.584 0.005 0.000 1.169 75 A CA 2.160 54.196 52.037 -0.001 0.000 0.635 75 A CB -0.947 18.060 19.000 0.012 0.000 0.810 75 A HN 1.091 nan 8.150 nan 0.000 0.446 76 S N -0.402 115.301 115.700 0.005 0.000 2.507 76 S HA -0.086 4.384 4.470 0.001 0.000 0.235 76 S C 1.416 176.018 174.600 0.004 0.000 0.988 76 S CA 1.105 59.309 58.200 0.007 0.000 0.944 76 S CB -0.169 63.035 63.200 0.007 0.000 0.762 76 S HN 0.473 nan 8.310 nan 0.000 0.526 77 K N 1.114 121.514 120.400 -0.001 0.000 2.418 77 K HA 0.291 4.612 4.320 0.001 0.000 0.195 77 K C 0.295 176.891 176.600 -0.007 0.000 1.035 77 K CA 0.053 56.338 56.287 -0.004 0.000 1.003 77 K CB -0.484 32.012 32.500 -0.007 0.000 0.793 77 K HN 0.343 nan 8.250 nan 0.000 0.494 78 V N 2.928 122.838 119.914 -0.008 0.000 2.498 78 V HA 0.098 4.219 4.120 0.001 0.000 0.279 78 V C 0.232 176.325 176.094 -0.003 0.000 1.048 78 V CA -0.485 61.808 62.300 -0.012 0.000 0.967 78 V CB 1.288 33.099 31.823 -0.019 0.000 0.988 78 V HN 0.236 nan 8.190 nan 0.000 0.473 79 S N 3.933 119.630 115.700 -0.005 0.000 2.482 79 S HA 0.929 5.399 4.470 0.001 0.000 0.303 79 S C -0.438 174.160 174.600 -0.003 0.000 1.091 79 S CA -0.479 57.722 58.200 0.001 0.000 1.057 79 S CB 2.025 65.228 63.200 0.004 0.000 1.031 79 S HN 1.167 nan 8.310 nan 0.000 0.485 80 A N 2.502 125.324 122.820 0.003 0.000 2.479 80 A HA 0.942 5.263 4.320 0.001 0.000 0.296 80 A C -0.347 177.247 177.584 0.016 0.000 1.121 80 A CA -1.305 50.732 52.037 0.000 0.000 0.743 80 A CB 1.468 20.460 19.000 -0.013 0.000 1.323 80 A HN 1.073 nan 8.150 nan 0.000 0.415 81 R N 0.332 120.843 120.500 0.019 0.000 2.912 81 R HA 0.791 5.132 4.340 0.001 0.000 0.262 81 R C -1.323 175.000 176.300 0.038 0.000 1.057 81 R CA -0.845 55.271 56.100 0.027 0.000 0.981 81 R CB 0.808 31.119 30.300 0.018 0.000 1.201 81 R HN 0.492 nan 8.270 nan 0.000 0.484 82 L N 1.760 123.006 121.223 0.038 0.000 2.453 82 L HA 0.106 4.446 4.340 0.001 0.000 0.272 82 L C -0.092 176.769 176.870 -0.015 0.000 1.182 82 L CA -0.550 54.301 54.840 0.020 0.000 0.858 82 L CB 0.227 42.285 42.059 -0.002 0.000 1.120 82 L HN 0.406 nan 8.230 nan 0.000 0.474 83 L N 2.643 123.852 121.223 -0.024 0.000 2.397 83 L HA 0.169 4.510 4.340 0.001 0.000 0.271 83 L C 0.930 177.719 176.870 -0.135 0.000 1.148 83 L CA 0.328 55.139 54.840 -0.048 0.000 0.825 83 L CB 1.242 43.288 42.059 -0.022 0.000 1.117 83 L HN 0.708 nan 8.230 nan 0.000 0.456 84 T N 0.235 114.715 114.554 -0.122 0.000 2.802 84 T HA 0.076 4.427 4.350 0.001 0.000 0.305 84 T C 1.361 175.946 174.700 -0.191 0.000 1.053 84 T CA -0.287 61.718 62.100 -0.159 0.000 1.058 84 T CB 0.353 69.153 68.868 -0.114 0.000 0.988 84 T HN 0.583 nan 8.240 nan 0.000 0.539 85 L N 0.499 121.591 121.223 -0.219 0.000 2.013 85 L HA -0.109 4.232 4.340 0.001 0.000 0.212 85 L C 2.980 179.760 176.870 -0.151 0.000 1.073 85 L CA 2.292 57.010 54.840 -0.204 0.000 0.753 85 L CB -0.563 41.377 42.059 -0.198 0.000 0.890 85 L HN 1.021 nan 8.230 nan 0.000 0.432 86 E N -0.352 119.771 120.200 -0.129 0.000 2.085 86 E HA -0.299 4.052 4.350 0.001 0.000 0.194 86 E C 1.962 178.497 176.600 -0.109 0.000 0.994 86 E CA 1.917 58.252 56.400 -0.107 0.000 0.801 86 E CB -0.069 29.578 29.700 -0.089 0.000 0.743 86 E HN 0.620 nan 8.360 nan 0.000 0.453 87 E N -0.097 120.035 120.200 -0.113 0.000 2.106 87 E HA -0.141 4.210 4.350 0.001 0.000 0.192 87 E C 2.017 178.519 176.600 -0.164 0.000 0.984 87 E CA 0.787 57.114 56.400 -0.122 0.000 0.806 87 E CB -0.100 29.540 29.700 -0.100 0.000 0.750 87 E HN 0.380 nan 8.360 nan 0.000 0.458 88 A N 0.792 123.519 122.820 -0.155 0.000 1.873 88 A HA -0.189 4.132 4.320 0.001 0.000 0.215 88 A C 2.400 179.898 177.584 -0.143 0.000 1.186 88 A CA 1.127 53.070 52.037 -0.156 0.000 0.616 88 A CB -0.904 18.019 19.000 -0.128 0.000 0.823 88 A HN 0.365 nan 8.150 nan 0.000 0.442 89 C N -0.695 118.531 119.300 -0.123 0.000 2.413 89 C HA -0.116 4.345 4.460 0.001 0.000 0.276 89 C C 2.751 177.669 174.990 -0.120 0.000 1.248 89 C CA 1.260 60.214 59.018 -0.108 0.000 1.742 89 C CB -1.081 26.597 27.740 -0.102 0.000 2.017 89 C HN 0.593 nan 8.230 nan 0.000 0.481 90 Q N 0.189 119.913 119.800 -0.127 0.000 2.369 90 Q HA 0.104 4.444 4.340 0.001 0.000 0.206 90 Q C 1.880 177.798 176.000 -0.136 0.000 0.963 90 Q CA 0.874 56.609 55.803 -0.113 0.000 0.894 90 Q CB -0.369 28.311 28.738 -0.098 0.000 0.965 90 Q HN 0.689 nan 8.270 nan 0.000 0.475 91 L N 0.198 121.295 121.223 -0.210 0.000 2.558 91 L HA 0.049 4.389 4.340 0.001 0.000 0.225 91 L C 0.397 177.157 176.870 -0.182 0.000 1.128 91 L CA 0.122 54.789 54.840 -0.287 0.000 0.868 91 L CB 0.067 41.865 42.059 -0.435 0.000 1.006 91 L HN -0.076 nan 8.230 nan 0.000 0.454 92 T N 2.283 116.745 114.554 -0.153 0.000 2.799 92 T HA 0.155 4.506 4.350 0.001 0.000 0.296 92 T C -2.278 172.264 174.700 -0.263 0.000 0.947 92 T CA -1.004 61.002 62.100 -0.156 0.000 1.141 92 T CB 0.662 69.456 68.868 -0.123 0.000 0.891 92 T HN -0.100 nan 8.240 nan 0.000 0.533 93 P HA 0.134 nan 4.420 nan 0.000 0.268 93 P C -1.861 175.099 177.300 -0.566 0.000 1.205 93 P CA -1.477 61.324 63.100 -0.500 0.000 0.771 93 P CB 0.107 31.671 31.700 -0.226 0.000 0.858 94 P HA -0.188 nan 4.420 nan 0.000 0.217 94 P C 0.636 177.511 177.300 -0.709 0.000 1.148 94 P CA 1.791 64.438 63.100 -0.756 0.000 0.834 94 P CB -0.175 31.000 31.700 -0.875 0.000 0.783 95 H N -2.741 116.213 119.070 -0.193 0.000 2.528 95 H HA 0.260 4.816 4.556 0.001 0.000 0.282 95 H C 0.378 175.638 175.328 -0.114 0.000 1.097 95 H CA -0.328 55.648 56.048 -0.120 0.000 1.121 95 H CB 0.009 29.719 29.762 -0.087 0.000 1.590 95 H HN 0.033 nan 8.280 nan 0.000 0.553 96 S N 1.515 117.163 115.700 -0.086 0.000 2.573 96 S HA 0.157 4.627 4.470 0.001 0.000 0.297 96 S C 0.770 175.334 174.600 -0.059 0.000 1.280 96 S CA -0.409 57.738 58.200 -0.088 0.000 1.061 96 S CB 0.124 63.264 63.200 -0.101 0.000 0.812 96 S HN 0.551 nan 8.310 nan 0.000 0.500 97 A N 5.476 128.244 122.820 -0.086 0.000 2.573 97 A HA 0.132 4.453 4.320 0.001 0.000 0.250 97 A C 0.755 178.328 177.584 -0.019 0.000 1.049 97 A CA 0.173 52.182 52.037 -0.047 0.000 0.767 97 A CB -0.214 18.746 19.000 -0.066 0.000 0.965 97 A HN 0.926 nan 8.150 nan 0.000 0.514 98 R N 2.558 123.041 120.500 -0.028 0.000 2.784 98 R HA 0.342 4.683 4.340 0.001 0.000 0.266 98 R C 0.369 176.581 176.300 -0.146 0.000 1.044 98 R CA 0.283 56.335 56.100 -0.079 0.000 1.151 98 R CB 0.308 30.565 30.300 -0.073 0.000 1.037 98 R HN 0.514 nan 8.270 nan 0.000 0.478 99 S N -0.277 115.215 115.700 -0.347 0.000 2.592 99 S HA 0.030 4.500 4.470 0.001 0.000 0.271 99 S C 0.908 175.267 174.600 -0.402 0.000 1.326 99 S CA -0.593 57.323 58.200 -0.473 0.000 1.024 99 S CB 1.026 63.524 63.200 -1.171 0.000 0.921 99 S HN 0.772 nan 8.310 nan 0.000 0.527 100 K N 2.340 122.520 120.400 -0.365 0.000 2.360 100 K HA -0.067 4.254 4.320 0.001 0.000 0.201 100 K C -0.116 176.110 176.600 -0.622 0.000 1.046 100 K CA 1.233 57.224 56.287 -0.493 0.000 0.945 100 K CB -0.087 32.028 32.500 -0.641 0.000 0.750 100 K HN 0.772 nan 8.250 nan 0.000 0.464 101 Y N -0.187 119.855 120.300 -0.429 0.000 2.746 101 Y HA 0.241 4.792 4.550 0.001 0.000 0.312 101 Y C 0.914 176.671 175.900 -0.239 0.000 1.117 101 Y CA 0.087 57.965 58.100 -0.370 0.000 1.324 101 Y CB 0.873 38.972 38.460 -0.602 0.000 1.173 101 Y HN 0.197 nan 8.280 nan 0.000 0.529 102 G N 0.461 109.169 108.800 -0.152 0.000 2.132 102 G HA2 -0.269 3.692 3.960 0.001 0.000 0.228 102 G HA3 -0.269 3.692 3.960 0.001 0.000 0.228 102 G C -0.319 174.653 174.900 0.120 0.000 1.000 102 G CA 0.191 45.290 45.100 -0.003 0.000 0.693 102 G HN 0.444 nan 8.290 nan 0.000 0.515 103 F N -2.177 117.765 119.950 -0.012 0.000 2.668 103 F HA 0.848 5.376 4.527 0.001 0.000 0.309 103 F C 0.283 176.081 175.800 -0.004 0.000 1.117 103 F CA -0.903 57.093 58.000 -0.007 0.000 0.951 103 F CB 0.692 39.691 39.000 -0.002 0.000 1.323 103 F HN 0.507 nan 8.300 nan 0.000 0.451 104 G N -0.153 108.754 108.800 0.178 0.000 3.211 104 G HA2 0.567 4.528 3.960 0.001 0.000 0.262 104 G HA3 0.567 4.528 3.960 0.001 0.000 0.262 104 G C 0.268 175.248 174.900 0.134 0.000 1.352 104 G CA -0.604 44.543 45.100 0.078 0.000 1.004 104 G HN 1.154 nan 8.290 nan 0.000 0.559 105 A N -0.442 122.396 122.820 0.030 0.000 1.940 105 A HA -0.058 4.263 4.320 0.001 0.000 0.219 105 A C 2.162 179.711 177.584 -0.058 0.000 1.176 105 A CA 2.566 54.586 52.037 -0.028 0.000 0.631 105 A CB -0.495 18.434 19.000 -0.118 0.000 0.814 105 A HN 0.607 nan 8.150 nan 0.000 0.446 106 K N 0.305 120.674 120.400 -0.051 0.000 2.026 106 K HA -0.178 4.143 4.320 0.001 0.000 0.208 106 K C 1.610 178.191 176.600 -0.031 0.000 1.048 106 K CA 2.121 58.371 56.287 -0.061 0.000 0.929 106 K CB -0.348 32.127 32.500 -0.042 0.000 0.713 106 K HN 0.403 nan 8.250 nan 0.000 0.439 107 E N -0.068 120.144 120.200 0.020 0.000 2.150 107 E HA -0.080 4.271 4.350 0.001 0.000 0.193 107 E C 1.953 178.530 176.600 -0.038 0.000 0.985 107 E CA 1.047 57.452 56.400 0.008 0.000 0.814 107 E CB -0.176 29.564 29.700 0.067 0.000 0.752 107 E HN 0.100 nan 8.360 nan 0.000 0.466 108 V N 0.882 120.797 119.914 0.003 0.000 2.261 108 V HA -0.264 3.857 4.120 0.001 0.000 0.246 108 V C 2.097 178.146 176.094 -0.075 0.000 1.047 108 V CA 1.944 64.221 62.300 -0.039 0.000 1.015 108 V CB -0.343 31.503 31.823 0.038 0.000 0.642 108 V HN 0.212 nan 8.190 nan 0.000 0.446 109 R N 0.702 121.153 120.500 -0.083 0.000 2.152 109 R HA -0.087 4.253 4.340 0.001 0.000 0.232 109 R C 2.098 178.349 176.300 -0.083 0.000 1.117 109 R CA 1.515 57.554 56.100 -0.101 0.000 0.981 109 R CB -0.366 29.850 30.300 -0.139 0.000 0.870 109 R HN 0.661 nan 8.270 nan 0.000 0.451 110 S N 0.276 115.932 115.700 -0.073 0.000 2.597 110 S HA 0.150 4.621 4.470 0.001 0.000 0.224 110 S C 0.750 175.309 174.600 -0.068 0.000 0.955 110 S CA -0.393 57.769 58.200 -0.062 0.000 0.933 110 S CB -0.167 63.002 63.200 -0.051 0.000 0.788 110 S HN 0.309 nan 8.310 nan 0.000 0.488 111 L N 1.732 122.905 121.223 -0.083 0.000 3.678 111 L HA -0.190 4.150 4.340 0.001 0.000 0.425 111 L C 0.738 177.549 176.870 -0.098 0.000 1.240 111 L CA 0.304 55.086 54.840 -0.096 0.000 0.876 111 L CB -2.932 39.077 42.059 -0.084 0.000 1.766 111 L HN 0.668 nan 8.230 nan 0.000 0.917 112 S N -0.414 115.223 115.700 -0.105 0.000 2.573 112 S HA 0.347 4.818 4.470 0.001 0.000 0.277 112 S C 1.613 176.139 174.600 -0.124 0.000 1.346 112 S CA 0.105 58.247 58.200 -0.097 0.000 1.034 112 S CB 1.710 64.861 63.200 -0.082 0.000 0.879 112 S HN 0.386 nan 8.310 nan 0.000 0.528 113 G N 1.928 110.673 108.800 -0.091 0.000 2.421 113 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 113 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 113 G C 1.484 176.318 174.900 -0.111 0.000 1.171 113 G CA 0.864 45.913 45.100 -0.086 0.000 0.775 113 G HN 0.827 nan 8.290 nan 0.000 0.543 114 R N 0.438 120.873 120.500 -0.108 0.000 2.070 114 R HA 0.017 4.357 4.340 0.001 0.000 0.233 114 R C 2.953 179.059 176.300 -0.324 0.000 1.137 114 R CA 1.565 57.600 56.100 -0.108 0.000 0.945 114 R CB -0.442 29.851 30.300 -0.011 0.000 0.845 114 R HN 0.287 nan 8.270 nan 0.000 0.430 115 A N 0.108 122.564 122.820 -0.608 0.000 1.865 115 A HA -0.161 4.160 4.320 0.001 0.000 0.217 115 A C 2.296 179.534 177.584 -0.578 0.000 1.191 115 A CA 1.910 53.242 52.037 -1.175 0.000 0.623 115 A CB -0.848 17.641 19.000 -0.853 0.000 0.826 115 A HN 0.248 nan 8.150 nan 0.000 0.444 116 V N 0.945 120.668 119.914 -0.319 0.000 2.343 116 V HA -0.252 3.869 4.120 0.001 0.000 0.247 116 V C 2.319 178.327 176.094 -0.142 0.000 1.051 116 V CA 2.142 64.326 62.300 -0.194 0.000 1.036 116 V CB -0.945 30.791 31.823 -0.145 0.000 0.654 116 V HN 0.568 nan 8.190 nan 0.000 0.451 117 N N -0.362 118.267 118.700 -0.119 0.000 2.120 117 N HA -0.191 4.550 4.740 0.001 0.000 0.188 117 N C 1.838 177.323 175.510 -0.042 0.000 1.024 117 N CA 1.823 54.834 53.050 -0.065 0.000 0.852 117 N CB -0.492 37.972 38.487 -0.037 0.000 1.003 117 N HN 0.686 nan 8.380 nan 0.000 0.424 118 H N 0.926 119.918 119.070 -0.129 0.000 2.353 118 H HA 0.109 4.666 4.556 0.001 0.000 0.300 118 H C 2.085 177.382 175.328 -0.051 0.000 1.090 118 H CA 1.376 57.378 56.048 -0.077 0.000 1.327 118 H CB -0.261 29.527 29.762 0.043 0.000 1.383 118 H HN 0.110 nan 8.280 nan 0.000 0.508 119 I N 0.371 120.879 120.570 -0.104 0.000 2.226 119 I HA -0.262 3.909 4.170 0.001 0.000 0.245 119 I C 2.353 178.428 176.117 -0.070 0.000 1.100 119 I CA 1.415 62.665 61.300 -0.083 0.000 1.374 119 I CB -0.239 37.733 38.000 -0.047 0.000 1.057 119 I HN 0.257 nan 8.210 nan 0.000 0.413 120 K N 0.082 120.438 120.400 -0.074 0.000 2.097 120 K HA -0.176 4.145 4.320 0.001 0.000 0.206 120 K C 2.356 178.958 176.600 0.004 0.000 1.049 120 K CA 1.686 57.959 56.287 -0.022 0.000 0.933 120 K CB -0.238 32.237 32.500 -0.043 0.000 0.717 120 K HN 0.240 nan 8.250 nan 0.000 0.442 121 S N 0.558 116.204 115.700 -0.091 0.000 2.387 121 S HA -0.080 4.391 4.470 0.001 0.000 0.226 121 S C 1.994 176.504 174.600 -0.150 0.000 1.026 121 S CA 0.823 58.952 58.200 -0.119 0.000 0.972 121 S CB -0.054 63.048 63.200 -0.162 0.000 0.814 121 S HN 0.056 nan 8.310 nan 0.000 0.477 122 V N 1.124 120.902 119.914 -0.228 0.000 2.358 122 V HA -0.092 4.029 4.120 0.001 0.000 0.246 122 V C 2.087 178.169 176.094 -0.021 0.000 1.047 122 V CA 1.663 63.859 62.300 -0.174 0.000 1.035 122 V CB -0.846 30.854 31.823 -0.206 0.000 0.658 122 V HN 0.722 nan 8.190 nan 0.000 0.452 123 W N 1.400 122.625 121.300 -0.126 0.000 2.355 123 W HA -0.204 4.457 4.660 0.001 0.000 0.309 123 W C 2.465 178.944 176.519 -0.067 0.000 1.206 123 W CA 2.200 59.498 57.345 -0.079 0.000 1.284 123 W CB -0.125 29.295 29.460 -0.066 0.000 1.145 123 W HN 0.225 nan 8.180 nan 0.000 0.502 124 K N 0.596 121.036 120.400 0.066 0.000 2.057 124 K HA -0.267 4.054 4.320 0.001 0.000 0.207 124 K C 1.754 178.287 176.600 -0.112 0.000 1.049 124 K CA 2.241 58.514 56.287 -0.024 0.000 0.931 124 K CB -0.573 31.945 32.500 0.030 0.000 0.714 124 K HN 0.050 nan 8.250 nan 0.000 0.440 125 D N 0.201 120.538 120.400 -0.104 0.000 2.144 125 D HA -0.148 4.493 4.640 0.001 0.000 0.199 125 D C 1.941 178.150 176.300 -0.152 0.000 0.984 125 D CA 0.903 54.838 54.000 -0.108 0.000 0.834 125 D CB 0.057 40.802 40.800 -0.092 0.000 0.955 125 D HN 0.203 nan 8.370 nan 0.000 0.465 126 L N -0.036 121.053 121.223 -0.223 0.000 2.079 126 L HA -0.155 4.186 4.340 0.001 0.000 0.210 126 L C 2.400 179.081 176.870 -0.315 0.000 1.081 126 L CA 0.747 55.409 54.840 -0.296 0.000 0.752 126 L CB -0.328 41.475 42.059 -0.427 0.000 0.896 126 L HN 0.249 nan 8.230 nan 0.000 0.433 127 L N -0.976 120.032 121.223 -0.359 0.000 2.217 127 L HA -0.143 4.197 4.340 0.001 0.000 0.211 127 L C 2.447 179.231 176.870 -0.144 0.000 1.107 127 L CA 0.962 55.640 54.840 -0.270 0.000 0.783 127 L CB -0.334 41.568 42.059 -0.262 0.000 0.919 127 L HN 0.324 nan 8.230 nan 0.000 0.442 128 E N -0.422 119.706 120.200 -0.120 0.000 2.276 128 E HA -0.103 4.247 4.350 0.001 0.000 0.193 128 E C -0.012 176.552 176.600 -0.060 0.000 0.983 128 E CA 0.198 56.555 56.400 -0.073 0.000 0.861 128 E CB 0.613 30.278 29.700 -0.058 0.000 0.817 128 E HN 0.161 nan 8.360 nan 0.000 0.485 129 D N 0.198 120.554 120.400 -0.074 0.000 2.462 129 D HA 0.140 4.780 4.640 0.001 0.000 0.245 129 D C -2.252 174.009 176.300 -0.065 0.000 1.122 129 D CA -2.311 51.655 54.000 -0.056 0.000 0.864 129 D CB 1.835 42.603 40.800 -0.053 0.000 1.098 129 D HN -0.085 nan 8.370 nan 0.000 0.541 130 P HA 0.115 nan 4.420 nan 0.000 0.266 130 P C 0.464 177.724 177.300 -0.067 0.000 1.381 130 P CA 0.232 63.306 63.100 -0.042 0.000 0.940 130 P CB 1.104 32.843 31.700 0.065 0.000 1.435 131 Q N -0.214 119.558 119.800 -0.046 0.000 2.619 131 Q HA 0.152 4.493 4.340 0.001 0.000 0.230 131 Q C 0.279 176.263 176.000 -0.027 0.000 0.871 131 Q CA 1.003 56.786 55.803 -0.033 0.000 0.934 131 Q CB -0.443 28.288 28.738 -0.011 0.000 1.183 131 Q HN -0.122 nan 8.270 nan 0.000 0.631 132 T N 4.360 118.901 114.554 -0.021 0.000 2.793 132 T HA 0.180 4.531 4.350 0.001 0.000 0.289 132 T C -2.552 172.146 174.700 -0.004 0.000 0.956 132 T CA -0.789 61.309 62.100 -0.002 0.000 1.177 132 T CB 0.581 69.449 68.868 0.000 0.000 0.897 132 T HN 0.164 nan 8.240 nan 0.000 0.533 133 P HA 0.111 nan 4.420 nan 0.000 0.265 133 P C -0.229 177.077 177.300 0.010 0.000 1.187 133 P CA -0.000 63.110 63.100 0.018 0.000 0.766 133 P CB 0.341 32.087 31.700 0.077 0.000 0.820 134 I N 5.551 126.110 120.570 -0.019 0.000 2.353 134 I HA 0.243 4.413 4.170 0.001 0.000 0.293 134 I C -1.909 174.216 176.117 0.014 0.000 0.992 134 I CA -2.501 58.795 61.300 -0.006 0.000 1.268 134 I CB 1.216 39.198 38.000 -0.030 0.000 1.387 134 I HN 0.199 nan 8.210 nan 0.000 0.478 135 P HA 0.105 nan 4.420 nan 0.000 0.268 135 P C -0.670 176.658 177.300 0.047 0.000 1.205 135 P CA -0.163 62.997 63.100 0.100 0.000 0.771 135 P CB 0.498 32.173 31.700 -0.040 0.000 0.858 136 T N -1.241 113.362 114.554 0.081 0.000 2.930 136 T HA 0.603 4.954 4.350 0.001 0.000 0.290 136 T C -0.400 174.273 174.700 -0.044 0.000 1.052 136 T CA -0.716 61.365 62.100 -0.032 0.000 1.017 136 T CB 1.017 69.855 68.868 -0.051 0.000 1.137 136 T HN 0.147 nan 8.240 nan 0.000 0.511 137 T N 1.801 116.160 114.554 -0.324 0.000 2.824 137 T HA 0.569 4.919 4.350 0.001 0.000 0.280 137 T C -0.373 174.147 174.700 -0.301 0.000 0.995 137 T CA -0.578 61.320 62.100 -0.337 0.000 1.009 137 T CB 0.819 69.338 68.868 -0.580 0.000 0.955 137 T HN 0.710 nan 8.240 nan 0.000 0.452 138 I N 4.168 124.692 120.570 -0.076 0.000 2.336 138 I HA 0.480 4.651 4.170 0.001 0.000 0.292 138 I C -0.859 175.304 176.117 0.077 0.000 0.991 138 I CA -0.692 60.624 61.300 0.026 0.000 1.227 138 I CB 0.500 38.543 38.000 0.071 0.000 1.366 138 I HN 0.396 nan 8.210 nan 0.000 0.466 139 M N 6.533 126.221 119.600 0.146 0.000 2.591 139 M HA 0.509 4.990 4.480 0.001 0.000 0.306 139 M C -0.450 175.923 176.300 0.122 0.000 1.190 139 M CA -0.669 54.723 55.300 0.153 0.000 0.889 139 M CB 1.754 34.493 32.600 0.231 0.000 1.728 139 M HN 0.594 nan 8.290 nan 0.000 0.458 140 A N 2.319 125.193 122.820 0.089 0.000 2.320 140 A HA 0.424 4.744 4.320 0.001 0.000 0.287 140 A C 0.007 177.634 177.584 0.072 0.000 1.181 140 A CA -0.436 51.645 52.037 0.073 0.000 0.831 140 A CB 0.184 19.216 19.000 0.053 0.000 1.102 140 A HN 0.761 nan 8.150 nan 0.000 0.513 141 K N 2.067 122.511 120.400 0.073 0.000 2.350 141 K HA 0.069 4.389 4.320 0.001 0.000 0.279 141 K C -0.546 176.071 176.600 0.029 0.000 1.027 141 K CA 0.182 56.501 56.287 0.053 0.000 0.969 141 K CB 0.336 32.875 32.500 0.065 0.000 0.954 141 K HN 0.788 nan 8.250 nan 0.000 0.474 142 N N 3.208 121.900 118.700 -0.013 0.000 2.558 142 N HA 0.088 4.829 4.740 0.001 0.000 0.233 142 N C -1.220 174.185 175.510 -0.176 0.000 1.038 142 N CA -0.241 52.766 53.050 -0.072 0.000 0.934 142 N CB 0.905 39.352 38.487 -0.066 0.000 1.175 142 N HN 0.388 nan 8.380 nan 0.000 0.512 143 E N 0.825 120.902 120.200 -0.206 0.000 2.256 143 E HA 0.457 4.808 4.350 0.001 0.000 0.267 143 E C -0.898 175.303 176.600 -0.664 0.000 0.892 143 E CA -0.957 55.204 56.400 -0.399 0.000 0.775 143 E CB 2.502 32.028 29.700 -0.290 0.000 1.207 143 E HN 0.078 nan 8.360 nan 0.000 0.420 144 V N 3.211 122.577 119.914 -0.913 0.000 2.427 144 V HA 0.489 4.609 4.120 0.001 0.000 0.286 144 V C -0.856 174.560 176.094 -1.130 0.000 1.034 144 V CA -0.310 61.439 62.300 -0.919 0.000 0.893 144 V CB 0.319 31.711 31.823 -0.719 0.000 0.982 144 V HN 0.509 nan 8.190 nan 0.000 0.452 145 F N 2.115 121.697 119.950 -0.614 0.000 2.650 145 F HA 0.577 5.104 4.527 0.001 0.000 0.320 145 F C 0.103 175.745 175.800 -0.263 0.000 1.091 145 F CA -0.749 56.996 58.000 -0.425 0.000 0.962 145 F CB 1.299 40.035 39.000 -0.440 0.000 1.363 145 F HN 0.498 nan 8.300 nan 0.000 0.482 146 C N 2.792 122.211 119.300 0.198 0.000 2.350 146 C HA 0.746 5.207 4.460 0.001 0.000 0.348 146 C C 0.099 175.317 174.990 0.379 0.000 1.260 146 C CA -0.747 58.420 59.018 0.248 0.000 1.966 146 C CB -0.189 27.644 27.740 0.155 0.000 2.380 146 C HN 0.685 nan 8.230 nan 0.000 0.535 147 V N 3.873 124.015 119.914 0.380 0.000 2.694 147 V HA 0.266 4.387 4.120 0.001 0.000 0.306 147 V C 0.034 176.207 176.094 0.131 0.000 1.054 147 V CA 0.409 62.850 62.300 0.236 0.000 1.161 147 V CB 0.764 32.642 31.823 0.092 0.000 0.916 147 V HN 0.893 nan 8.190 nan 0.000 0.490 148 D N 5.988 126.434 120.400 0.076 0.000 2.446 148 D HA 0.442 5.082 4.640 0.001 0.000 0.251 148 D C -1.451 174.849 176.300 -0.001 0.000 1.137 148 D CA -2.160 51.860 54.000 0.034 0.000 0.890 148 D CB 2.169 42.985 40.800 0.027 0.000 1.071 148 D HN 0.417 nan 8.370 nan 0.000 0.528 149 P HA -0.120 nan 4.420 nan 0.000 0.217 149 P C 1.224 178.511 177.300 -0.021 0.000 1.150 149 P CA 0.771 63.859 63.100 -0.021 0.000 0.832 149 P CB 0.273 31.961 31.700 -0.019 0.000 0.787 150 A N 0.644 123.455 122.820 -0.016 0.000 1.948 150 A HA -0.176 4.144 4.320 0.001 0.000 0.220 150 A C 1.813 179.384 177.584 -0.021 0.000 1.177 150 A CA 1.675 53.702 52.037 -0.017 0.000 0.636 150 A CB -1.013 17.979 19.000 -0.014 0.000 0.815 150 A HN 0.247 nan 8.150 nan 0.000 0.449 151 K N -1.406 118.980 120.400 -0.023 0.000 2.832 151 K HA 0.384 4.705 4.320 0.001 0.000 0.211 151 K C 0.514 177.092 176.600 -0.037 0.000 1.112 151 K CA 0.319 56.589 56.287 -0.028 0.000 1.108 151 K CB 0.091 32.574 32.500 -0.029 0.000 0.899 151 K HN 0.595 nan 8.250 nan 0.000 0.464 152 G N 0.433 109.210 108.800 -0.038 0.000 2.132 152 G HA2 -0.246 3.714 3.960 0.001 0.000 0.228 152 G HA3 -0.246 3.714 3.960 0.001 0.000 0.228 152 G C 0.680 175.540 174.900 -0.068 0.000 1.000 152 G CA 0.074 45.145 45.100 -0.048 0.000 0.693 152 G HN 0.666 nan 8.290 nan 0.000 0.515 153 G N -0.262 108.496 108.800 -0.070 0.000 3.377 153 G HA2 -0.303 3.658 3.960 0.001 0.000 0.304 153 G HA3 -0.303 3.658 3.960 0.001 0.000 0.304 153 G C 0.315 175.110 174.900 -0.174 0.000 1.366 153 G CA 1.047 46.081 45.100 -0.110 0.000 1.020 153 G HN 1.242 nan 8.290 nan 0.000 0.621 154 K N 1.486 121.728 120.400 -0.263 0.000 2.182 154 K HA 0.485 4.806 4.320 0.001 0.000 0.262 154 K C -0.294 176.223 176.600 -0.138 0.000 0.957 154 K CA -0.666 55.368 56.287 -0.421 0.000 0.842 154 K CB 1.900 33.993 32.500 -0.677 0.000 1.099 154 K HN 0.410 nan 8.250 nan 0.000 0.438 155 K N 3.412 123.821 120.400 0.015 0.000 2.298 155 K HA 0.187 4.508 4.320 0.001 0.000 0.280 155 K C -2.158 174.483 176.600 0.068 0.000 1.032 155 K CA -1.609 54.670 56.287 -0.013 0.000 0.958 155 K CB 0.252 32.641 32.500 -0.185 0.000 0.978 155 K HN 0.364 nan 8.250 nan 0.000 0.472 156 P HA 0.005 nan 4.420 nan 0.000 0.272 156 P C -0.724 176.625 177.300 0.082 0.000 1.223 156 P CA -0.384 62.747 63.100 0.051 0.000 0.784 156 P CB 0.659 32.368 31.700 0.016 0.000 0.923 157 A N 3.789 126.666 122.820 0.095 0.000 2.565 157 A HA 0.005 4.326 4.320 0.001 0.000 0.237 157 A C 0.731 178.368 177.584 0.088 0.000 1.053 157 A CA 0.110 52.210 52.037 0.104 0.000 0.755 157 A CB -0.402 18.646 19.000 0.081 0.000 0.980 157 A HN 0.462 nan 8.150 nan 0.000 0.506 158 R N 0.782 121.348 120.500 0.111 0.000 2.641 158 R HA 0.376 4.717 4.340 0.001 0.000 0.269 158 R C -0.651 175.708 176.300 0.100 0.000 1.074 158 R CA -0.187 55.979 56.100 0.109 0.000 1.133 158 R CB 0.355 30.733 30.300 0.130 0.000 1.029 158 R HN 0.659 nan 8.270 nan 0.000 0.488 159 L N 3.105 124.392 121.223 0.106 0.000 2.295 159 L HA 0.461 4.802 4.340 0.001 0.000 0.285 159 L C -0.308 176.648 176.870 0.143 0.000 1.035 159 L CA -0.841 54.064 54.840 0.107 0.000 0.806 159 L CB 1.431 43.538 42.059 0.080 0.000 1.214 159 L HN 0.478 nan 8.230 nan 0.000 0.426 160 I N 3.698 124.367 120.570 0.164 0.000 2.378 160 I HA 0.427 4.598 4.170 0.001 0.000 0.291 160 I C -0.783 175.498 176.117 0.274 0.000 0.992 160 I CA -0.288 61.142 61.300 0.217 0.000 1.154 160 I CB 1.683 39.803 38.000 0.200 0.000 1.315 160 I HN 0.203 nan 8.210 nan 0.000 0.448 161 V N 9.219 129.290 119.914 0.261 0.000 2.378 161 V HA 0.526 4.647 4.120 0.001 0.000 0.288 161 V C -1.020 175.227 176.094 0.254 0.000 1.016 161 V CA -0.503 61.909 62.300 0.187 0.000 0.840 161 V CB 0.887 32.804 31.823 0.157 0.000 0.994 161 V HN 0.680 nan 8.190 nan 0.000 0.431 162 Y N 4.705 125.057 120.300 0.087 0.000 2.571 162 Y HA 0.900 5.451 4.550 0.001 0.000 0.341 162 Y C -3.163 172.784 175.900 0.077 0.000 1.076 162 Y CA -2.862 55.288 58.100 0.084 0.000 1.029 162 Y CB 1.977 40.480 38.460 0.071 0.000 1.308 162 Y HN 0.415 nan 8.280 nan 0.000 0.461 163 P HA 0.168 nan 4.420 nan 0.000 0.281 163 P C -0.927 176.486 177.300 0.188 0.000 1.281 163 P CA -0.248 62.919 63.100 0.112 0.000 0.811 163 P CB 1.354 33.124 31.700 0.116 0.000 1.154 164 D N -0.694 119.785 120.400 0.132 0.000 2.449 164 D HA -0.082 4.559 4.640 0.001 0.000 0.236 164 D C 1.399 177.810 176.300 0.184 0.000 1.149 164 D CA -0.198 53.896 54.000 0.156 0.000 0.878 164 D CB 0.277 41.187 40.800 0.183 0.000 1.198 164 D HN 0.113 nan 8.370 nan 0.000 0.446 165 L N 3.978 125.292 121.223 0.151 0.000 2.064 165 L HA -0.104 4.236 4.340 0.001 0.000 0.216 165 L C 2.087 179.094 176.870 0.229 0.000 1.077 165 L CA 2.684 57.614 54.840 0.150 0.000 0.766 165 L CB -1.142 40.968 42.059 0.085 0.000 0.890 165 L HN 0.689 nan 8.230 nan 0.000 0.435 166 G N -1.393 107.600 108.800 0.321 0.000 2.440 166 G HA2 -0.225 3.736 3.960 0.001 0.000 0.218 166 G HA3 -0.225 3.736 3.960 0.001 0.000 0.218 166 G C 1.532 176.559 174.900 0.211 0.000 1.154 166 G CA 1.150 46.477 45.100 0.379 0.000 0.767 166 G HN 0.381 nan 8.290 nan 0.000 0.552 167 V N 0.734 120.757 119.914 0.182 0.000 2.427 167 V HA -0.144 3.977 4.120 0.001 0.000 0.248 167 V C 2.906 179.086 176.094 0.144 0.000 1.051 167 V CA 1.853 64.233 62.300 0.134 0.000 1.048 167 V CB -0.452 31.435 31.823 0.107 0.000 0.666 167 V HN 0.340 nan 8.190 nan 0.000 0.456 168 R N -0.238 120.354 120.500 0.152 0.000 2.096 168 R HA -0.115 4.226 4.340 0.001 0.000 0.235 168 R C 2.234 178.602 176.300 0.113 0.000 1.127 168 R CA 1.379 57.561 56.100 0.136 0.000 0.968 168 R CB -0.641 29.731 30.300 0.119 0.000 0.861 168 R HN 0.420 nan 8.270 nan 0.000 0.440 169 V N 0.645 120.624 119.914 0.108 0.000 2.295 169 V HA -0.305 3.815 4.120 0.001 0.000 0.246 169 V C 2.550 178.694 176.094 0.084 0.000 1.049 169 V CA 1.640 63.980 62.300 0.068 0.000 1.024 169 V CB -0.503 31.355 31.823 0.058 0.000 0.648 169 V HN 0.449 nan 8.190 nan 0.000 0.447 170 C N -0.070 119.322 119.300 0.154 0.000 2.413 170 C HA -0.173 4.288 4.460 0.001 0.000 0.276 170 C C 2.669 177.845 174.990 0.310 0.000 1.248 170 C CA 1.059 60.252 59.018 0.292 0.000 1.742 170 C CB -1.092 26.866 27.740 0.363 0.000 2.017 170 C HN 0.627 nan 8.230 nan 0.000 0.481 171 E N 0.706 121.037 120.200 0.218 0.000 2.097 171 E HA -0.251 4.099 4.350 0.001 0.000 0.196 171 E C 2.138 178.855 176.600 0.196 0.000 1.000 171 E CA 1.332 57.865 56.400 0.223 0.000 0.804 171 E CB -0.154 29.684 29.700 0.229 0.000 0.740 171 E HN 0.641 nan 8.360 nan 0.000 0.454 172 K N 0.249 120.734 120.400 0.142 0.000 2.057 172 K HA -0.097 4.224 4.320 0.001 0.000 0.207 172 K C 2.178 178.839 176.600 0.102 0.000 1.049 172 K CA 1.289 57.644 56.287 0.113 0.000 0.931 172 K CB -0.089 32.414 32.500 0.006 0.000 0.714 172 K HN 0.092 nan 8.250 nan 0.000 0.440 173 M N 0.208 119.835 119.600 0.045 0.000 2.080 173 M HA -0.204 4.277 4.480 0.001 0.000 0.260 173 M C 2.380 178.732 176.300 0.085 0.000 1.068 173 M CA 1.841 57.103 55.300 -0.063 0.000 1.109 173 M CB -0.292 32.075 32.600 -0.389 0.000 1.342 173 M HN 0.252 nan 8.290 nan 0.000 0.405 174 A N -0.562 122.426 122.820 0.279 0.000 1.898 174 A HA 0.023 4.344 4.320 0.001 0.000 0.214 174 A C 1.817 179.496 177.584 0.159 0.000 1.183 174 A CA 1.247 53.480 52.037 0.326 0.000 0.622 174 A CB -0.214 18.999 19.000 0.355 0.000 0.824 174 A HN 0.491 nan 8.150 nan 0.000 0.444 175 L N -3.221 118.074 121.223 0.119 0.000 3.039 175 L HA 0.214 4.555 4.340 0.001 0.000 0.269 175 L C 1.815 178.681 176.870 -0.007 0.000 1.169 175 L CA 0.033 54.876 54.840 0.005 0.000 0.986 175 L CB 0.069 42.094 42.059 -0.057 0.000 1.377 175 L HN 0.440 nan 8.230 nan 0.000 0.575 176 Y N 1.406 121.691 120.300 -0.025 0.000 2.145 176 Y HA -0.309 4.242 4.550 0.001 0.000 0.286 176 Y C 2.228 178.107 175.900 -0.034 0.000 1.145 176 Y CA 2.169 60.251 58.100 -0.030 0.000 1.148 176 Y CB 0.082 38.531 38.460 -0.018 0.000 0.981 176 Y HN 0.227 nan 8.280 nan 0.000 0.507 177 D N 0.036 120.421 120.400 -0.025 0.000 2.149 177 D HA -0.207 4.434 4.640 0.001 0.000 0.198 177 D C 2.105 178.297 176.300 -0.180 0.000 0.990 177 D CA 1.664 55.602 54.000 -0.103 0.000 0.839 177 D CB -0.348 40.453 40.800 0.000 0.000 0.948 177 D HN 0.517 nan 8.370 nan 0.000 0.460 178 I N 0.254 120.728 120.570 -0.160 0.000 2.226 178 I HA -0.282 3.888 4.170 0.001 0.000 0.245 178 I C 2.454 178.431 176.117 -0.233 0.000 1.100 178 I CA 1.649 62.843 61.300 -0.176 0.000 1.374 178 I CB -0.604 37.276 38.000 -0.200 0.000 1.057 178 I HN 0.186 nan 8.210 nan 0.000 0.413 179 T N -1.669 112.706 114.554 -0.299 0.000 2.929 179 T HA -0.193 4.157 4.350 0.001 0.000 0.271 179 T C 1.728 176.244 174.700 -0.307 0.000 1.085 179 T CA 0.976 62.898 62.100 -0.297 0.000 1.125 179 T CB -0.159 68.528 68.868 -0.300 0.000 0.874 179 T HN 0.246 nan 8.240 nan 0.000 0.494 180 Q N 0.478 120.058 119.800 -0.367 0.000 2.389 180 Q HA 0.257 4.597 4.340 0.001 0.000 0.204 180 Q C 1.773 177.672 176.000 -0.168 0.000 0.944 180 Q CA 0.909 56.551 55.803 -0.268 0.000 0.908 180 Q CB 0.231 28.793 28.738 -0.293 0.000 1.002 180 Q HN 0.642 nan 8.270 nan 0.000 0.493 181 K N -1.121 119.174 120.400 -0.175 0.000 2.424 181 K HA 0.111 4.431 4.320 0.001 0.000 0.200 181 K C 1.641 178.147 176.600 -0.157 0.000 1.279 181 K CA -0.101 56.106 56.287 -0.134 0.000 0.918 181 K CB 0.254 32.696 32.500 -0.097 0.000 1.287 181 K HN -0.057 nan 8.250 nan 0.000 0.502 182 L N 2.452 123.573 121.223 -0.171 0.000 2.044 182 L HA 0.015 4.355 4.340 0.001 0.000 0.205 182 L C -1.403 175.327 176.870 -0.233 0.000 1.075 182 L CA 1.705 56.456 54.840 -0.148 0.000 0.747 182 L CB -0.680 41.334 42.059 -0.075 0.000 0.903 182 L HN -0.029 nan 8.230 nan 0.000 0.435 183 P HA -0.177 nan 4.420 nan 0.000 0.215 183 P C 1.372 178.360 177.300 -0.520 0.000 1.153 183 P CA 1.430 64.164 63.100 -0.610 0.000 0.853 183 P CB 0.004 30.901 31.700 -1.338 0.000 0.788 184 Q N -0.392 119.152 119.800 -0.426 0.000 2.084 184 Q HA -0.084 4.257 4.340 0.001 0.000 0.202 184 Q C 2.305 178.211 176.000 -0.157 0.000 0.978 184 Q CA 1.921 57.599 55.803 -0.209 0.000 0.844 184 Q CB -1.298 27.370 28.738 -0.118 0.000 0.898 184 Q HN 0.175 nan 8.270 nan 0.000 0.426 185 A N 0.275 123.006 122.820 -0.148 0.000 1.933 185 A HA -0.147 4.174 4.320 0.001 0.000 0.218 185 A C 2.222 179.747 177.584 -0.099 0.000 1.175 185 A CA 1.830 53.808 52.037 -0.098 0.000 0.628 185 A CB -0.780 18.173 19.000 -0.079 0.000 0.814 185 A HN 0.341 nan 8.150 nan 0.000 0.444 186 V N -3.165 116.662 119.914 -0.145 0.000 2.992 186 V HA 0.128 4.248 4.120 0.001 0.000 0.250 186 V C 1.806 177.758 176.094 -0.236 0.000 1.090 186 V CA 1.568 63.786 62.300 -0.136 0.000 1.101 186 V CB -0.344 31.410 31.823 -0.115 0.000 0.743 186 V HN 0.670 nan 8.190 nan 0.000 0.468 187 M N -1.138 118.244 119.600 -0.363 0.000 2.268 187 M HA 0.673 5.154 4.480 0.001 0.000 0.355 187 M C 1.141 177.312 176.300 -0.215 0.000 0.938 187 M CA 0.465 55.455 55.300 -0.517 0.000 1.025 187 M CB 0.794 32.687 32.600 -1.178 0.000 1.773 187 M HN 0.443 nan 8.290 nan 0.000 0.613 188 G N 2.422 111.140 108.800 -0.136 0.000 2.622 188 G HA2 -0.445 3.515 3.960 0.001 0.000 0.307 188 G HA3 -0.445 3.515 3.960 0.001 0.000 0.307 188 G C 0.873 175.742 174.900 -0.053 0.000 1.226 188 G CA 1.417 46.482 45.100 -0.059 0.000 0.997 188 G HN 0.914 nan 8.290 nan 0.000 0.551 189 A N -0.663 122.149 122.820 -0.013 0.000 2.172 189 A HA 0.304 4.625 4.320 0.001 0.000 0.216 189 A C 2.565 180.013 177.584 -0.226 0.000 1.154 189 A CA 2.474 54.473 52.037 -0.064 0.000 0.701 189 A CB -0.447 18.610 19.000 0.095 0.000 0.789 189 A HN 1.188 nan 8.150 nan 0.000 0.465 190 S N -1.513 114.158 115.700 -0.049 0.000 2.481 190 S HA -0.010 4.460 4.470 0.001 0.000 0.231 190 S C 0.515 175.096 174.600 -0.031 0.000 0.996 190 S CA -0.010 58.205 58.200 0.025 0.000 0.942 190 S CB -0.313 62.964 63.200 0.129 0.000 0.768 190 S HN 0.625 nan 8.310 nan 0.000 0.520 191 Y N 3.125 123.284 120.300 -0.236 0.000 2.587 191 Y HA 0.434 4.984 4.550 0.001 0.000 0.344 191 Y C 1.225 176.938 175.900 -0.312 0.000 1.061 191 Y CA -1.329 56.622 58.100 -0.249 0.000 1.370 191 Y CB -0.003 38.312 38.460 -0.243 0.000 1.163 191 Y HN 0.041 nan 8.280 nan 0.000 0.527 192 G N 4.499 112.901 108.800 -0.663 0.000 2.421 192 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 192 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 192 G C 1.025 175.476 174.900 -0.748 0.000 1.143 192 G CA 0.156 44.886 45.100 -0.617 0.000 0.784 192 G HN 0.628 nan 8.290 nan 0.000 0.541 193 F N 1.412 120.798 119.950 -0.940 0.000 2.748 193 F HA 0.063 4.591 4.527 0.001 0.000 0.299 193 F C 2.810 178.430 175.800 -0.301 0.000 1.154 193 F CA 0.743 58.464 58.000 -0.466 0.000 1.446 193 F CB -0.017 38.791 39.000 -0.320 0.000 1.112 193 F HN 0.373 nan 8.300 nan 0.000 0.584 194 Q N -1.097 118.412 119.800 -0.485 0.000 2.451 194 Q HA -0.062 4.278 4.340 0.001 0.000 0.206 194 Q C -0.612 175.266 176.000 -0.203 0.000 0.947 194 Q CA 0.674 56.321 55.803 -0.261 0.000 0.937 194 Q CB -0.270 28.254 28.738 -0.356 0.000 1.025 194 Q HN 0.252 nan 8.270 nan 0.000 0.511 195 Y N 1.980 122.259 120.300 -0.035 0.000 2.330 195 Y HA 0.290 4.841 4.550 0.001 0.000 0.336 195 Y C 0.519 176.202 175.900 -0.363 0.000 1.036 195 Y CA -1.589 56.432 58.100 -0.131 0.000 1.125 195 Y CB 1.533 39.889 38.460 -0.173 0.000 1.194 195 Y HN 0.108 nan 8.280 nan 0.000 0.469 196 S N 3.085 118.556 115.700 -0.382 0.000 2.589 196 S HA 0.175 4.646 4.470 0.001 0.000 0.265 196 S C -1.970 172.368 174.600 -0.436 0.000 1.342 196 S CA -0.977 56.634 58.200 -0.982 0.000 1.005 196 S CB 1.208 64.135 63.200 -0.454 0.000 0.909 196 S HN 0.441 nan 8.310 nan 0.000 0.555 197 P HA -0.099 nan 4.420 nan 0.000 0.216 197 P C 1.552 178.819 177.300 -0.054 0.000 1.150 197 P CA 2.051 65.089 63.100 -0.102 0.000 0.843 197 P CB -0.253 31.455 31.700 0.012 0.000 0.787 198 A N -0.583 122.195 122.820 -0.070 0.000 1.933 198 A HA -0.244 4.077 4.320 0.001 0.000 0.218 198 A C 2.161 179.705 177.584 -0.067 0.000 1.175 198 A CA 1.569 53.595 52.037 -0.020 0.000 0.628 198 A CB -1.158 17.829 19.000 -0.021 0.000 0.814 198 A HN 0.232 nan 8.150 nan 0.000 0.444 199 Q N -1.182 118.554 119.800 -0.106 0.000 2.187 199 Q HA -0.009 4.331 4.340 0.001 0.000 0.199 199 Q C 2.282 178.039 176.000 -0.405 0.000 0.957 199 Q CA 0.834 56.541 55.803 -0.159 0.000 0.857 199 Q CB -0.071 28.676 28.738 0.015 0.000 0.929 199 Q HN 0.621 nan 8.270 nan 0.000 0.453 200 R N 0.242 120.553 120.500 -0.316 0.000 2.083 200 R HA -0.152 4.189 4.340 0.001 0.000 0.237 200 R C 2.205 178.396 176.300 -0.182 0.000 1.137 200 R CA 1.401 57.321 56.100 -0.300 0.000 0.951 200 R CB -0.288 29.931 30.300 -0.135 0.000 0.851 200 R HN 0.096 nan 8.270 nan 0.000 0.434 201 V N 1.021 120.864 119.914 -0.118 0.000 2.252 201 V HA -0.301 3.820 4.120 0.001 0.000 0.249 201 V C 2.295 178.313 176.094 -0.125 0.000 1.056 201 V CA 2.269 64.514 62.300 -0.092 0.000 1.022 201 V CB -0.575 31.238 31.823 -0.017 0.000 0.641 201 V HN 0.479 nan 8.190 nan 0.000 0.445 202 E N -1.078 119.053 120.200 -0.115 0.000 2.118 202 E HA -0.280 4.071 4.350 0.001 0.000 0.195 202 E C 2.169 178.704 176.600 -0.109 0.000 0.992 202 E CA 1.748 58.085 56.400 -0.104 0.000 0.804 202 E CB -0.198 29.458 29.700 -0.073 0.000 0.741 202 E HN 0.732 nan 8.360 nan 0.000 0.458 203 Y N 0.850 120.975 120.300 -0.292 0.000 2.220 203 Y HA -0.093 4.458 4.550 0.001 0.000 0.291 203 Y C 1.909 177.703 175.900 -0.176 0.000 1.129 203 Y CA 1.264 59.197 58.100 -0.277 0.000 1.161 203 Y CB -0.181 37.974 38.460 -0.509 0.000 0.997 203 Y HN -0.002 nan 8.280 nan 0.000 0.522 204 L N -0.600 120.480 121.223 -0.239 0.000 2.046 204 L HA -0.245 4.096 4.340 0.001 0.000 0.208 204 L C 2.457 179.201 176.870 -0.210 0.000 1.077 204 L CA 1.237 55.927 54.840 -0.249 0.000 0.747 204 L CB -0.681 41.274 42.059 -0.173 0.000 0.896 204 L HN 0.279 nan 8.230 nan 0.000 0.432 205 L N -0.123 120.970 121.223 -0.217 0.000 2.012 205 L HA -0.267 4.074 4.340 0.001 0.000 0.210 205 L C 2.758 179.552 176.870 -0.127 0.000 1.073 205 L CA 1.500 56.214 54.840 -0.211 0.000 0.748 205 L CB -0.464 41.406 42.059 -0.316 0.000 0.891 205 L HN 0.274 nan 8.230 nan 0.000 0.431 206 K N 0.158 120.463 120.400 -0.159 0.000 2.057 206 K HA -0.180 4.141 4.320 0.001 0.000 0.206 206 K C 2.142 178.650 176.600 -0.152 0.000 1.050 206 K CA 1.274 57.481 56.287 -0.133 0.000 0.935 206 K CB -0.090 32.340 32.500 -0.117 0.000 0.715 206 K HN 0.260 nan 8.250 nan 0.000 0.439 207 A N 1.230 123.890 122.820 -0.267 0.000 1.908 207 A HA -0.216 4.104 4.320 0.001 0.000 0.218 207 A C 2.011 179.552 177.584 -0.071 0.000 1.181 207 A CA 1.377 53.270 52.037 -0.239 0.000 0.627 207 A CB -1.052 17.717 19.000 -0.384 0.000 0.818 207 A HN 0.736 nan 8.150 nan 0.000 0.445 208 W N 0.125 121.297 121.300 -0.213 0.000 2.453 208 W HA 0.004 4.664 4.660 0.001 0.000 0.289 208 W C 2.332 178.781 176.519 -0.117 0.000 1.215 208 W CA 1.296 58.550 57.345 -0.152 0.000 1.297 208 W CB -0.044 29.325 29.460 -0.151 0.000 1.113 208 W HN 0.425 nan 8.180 nan 0.000 0.551 209 A N 1.115 123.960 122.820 0.042 0.000 2.014 209 A HA -0.224 4.097 4.320 0.001 0.000 0.218 209 A C 1.761 179.299 177.584 -0.076 0.000 1.163 209 A CA 1.663 53.688 52.037 -0.020 0.000 0.652 209 A CB -0.863 18.130 19.000 -0.012 0.000 0.808 209 A HN 0.568 nan 8.150 nan 0.000 0.449 210 E N -0.088 120.059 120.200 -0.088 0.000 2.347 210 E HA -0.063 4.288 4.350 0.001 0.000 0.196 210 E C -0.090 176.442 176.600 -0.112 0.000 1.008 210 E CA 0.281 56.630 56.400 -0.086 0.000 0.852 210 E CB -0.064 29.593 29.700 -0.073 0.000 0.783 210 E HN 0.197 nan 8.360 nan 0.000 0.505 211 K N 1.682 121.978 120.400 -0.174 0.000 2.174 211 K HA 0.155 4.475 4.320 0.001 0.000 0.275 211 K C 0.371 176.861 176.600 -0.184 0.000 1.015 211 K CA -0.186 55.982 56.287 -0.198 0.000 0.933 211 K CB 1.689 34.009 32.500 -0.301 0.000 1.025 211 K HN -0.054 nan 8.250 nan 0.000 0.463 212 K N 0.609 120.929 120.400 -0.133 0.000 2.057 212 K HA -0.146 4.175 4.320 0.001 0.000 0.206 212 K C -0.061 176.465 176.600 -0.124 0.000 1.050 212 K CA 1.516 57.740 56.287 -0.105 0.000 0.935 212 K CB 0.242 32.699 32.500 -0.072 0.000 0.715 212 K HN 0.510 nan 8.250 nan 0.000 0.439 213 D N 0.090 120.402 120.400 -0.147 0.000 2.364 213 D HA 0.173 4.813 4.640 0.001 0.000 0.251 213 D C -2.822 173.347 176.300 -0.218 0.000 1.282 213 D CA -2.269 51.644 54.000 -0.144 0.000 0.927 213 D CB 1.230 41.986 40.800 -0.072 0.000 1.267 213 D HN -0.074 nan 8.370 nan 0.000 0.531 214 P HA 0.206 nan 4.420 nan 0.000 0.276 214 P C -0.395 176.559 177.300 -0.577 0.000 1.230 214 P CA -0.547 62.094 63.100 -0.764 0.000 0.776 214 P CB 1.030 31.694 31.700 -1.726 0.000 0.888 215 M N 2.672 122.041 119.600 -0.385 0.000 2.327 215 M HA 0.604 5.084 4.480 0.001 0.000 0.298 215 M C -1.016 175.231 176.300 -0.089 0.000 1.065 215 M CA -0.307 54.845 55.300 -0.247 0.000 0.916 215 M CB 2.388 34.893 32.600 -0.159 0.000 1.630 215 M HN 0.528 nan 8.290 nan 0.000 0.442 216 G N 4.054 112.902 108.800 0.081 0.000 2.533 216 G HA2 0.839 4.799 3.960 0.001 0.000 0.304 216 G HA3 0.839 4.799 3.960 0.001 0.000 0.304 216 G C -1.755 173.222 174.900 0.128 0.000 1.263 216 G CA -0.611 44.565 45.100 0.128 0.000 0.964 216 G HN 0.783 nan 8.290 nan 0.000 0.479 217 F N -1.123 118.787 119.950 -0.065 0.000 2.645 217 F HA 0.819 5.347 4.527 0.001 0.000 0.310 217 F C -0.474 175.306 175.800 -0.034 0.000 1.102 217 F CA -1.333 56.626 58.000 -0.069 0.000 0.952 217 F CB 1.513 40.452 39.000 -0.102 0.000 1.326 217 F HN 0.395 nan 8.300 nan 0.000 0.456 218 S N 1.103 116.901 115.700 0.163 0.000 2.489 218 S HA 0.420 4.891 4.470 0.001 0.000 0.291 218 S C -1.782 173.021 174.600 0.338 0.000 1.151 218 S CA -0.463 57.814 58.200 0.128 0.000 1.082 218 S CB 0.947 64.189 63.200 0.070 0.000 1.019 218 S HN 0.641 nan 8.310 nan 0.000 0.492 219 Y N 2.560 122.991 120.300 0.218 0.000 2.342 219 Y HA 0.372 4.923 4.550 0.001 0.000 0.338 219 Y C -0.502 175.530 175.900 0.221 0.000 0.965 219 Y CA -1.036 57.251 58.100 0.312 0.000 1.159 219 Y CB 0.837 39.602 38.460 0.509 0.000 1.157 219 Y HN 0.603 nan 8.280 nan 0.000 0.486 220 D N 4.439 124.675 120.400 -0.273 0.000 2.396 220 D HA 0.208 4.849 4.640 0.001 0.000 0.225 220 D C -0.774 175.340 176.300 -0.310 0.000 1.121 220 D CA -0.159 53.738 54.000 -0.172 0.000 0.853 220 D CB 0.814 41.554 40.800 -0.099 0.000 1.043 220 D HN 0.470 nan 8.370 nan 0.000 0.500 221 T N 3.944 118.497 114.554 -0.001 0.000 2.814 221 T HA 0.118 4.469 4.350 0.001 0.000 0.297 221 T C 0.536 175.323 174.700 0.146 0.000 0.956 221 T CA -0.455 61.745 62.100 0.167 0.000 1.123 221 T CB 0.699 69.902 68.868 0.558 0.000 0.902 221 T HN 0.284 nan 8.240 nan 0.000 0.528 222 R N 2.358 122.906 120.500 0.079 0.000 2.399 222 R HA 0.108 4.449 4.340 0.001 0.000 0.324 222 R C -0.152 176.269 176.300 0.201 0.000 1.030 222 R CA -0.142 56.007 56.100 0.081 0.000 0.984 222 R CB -0.722 29.565 30.300 -0.022 0.000 0.961 222 R HN 0.996 nan 8.270 nan 0.000 0.433 223 C N 5.043 124.493 119.300 0.250 0.000 3.268 223 C HA -0.168 4.293 4.460 0.001 0.000 0.277 223 C C 1.376 176.583 174.990 0.362 0.000 1.259 223 C CA 0.032 59.248 59.018 0.330 0.000 2.353 223 C CB -3.028 24.968 27.740 0.427 0.000 1.482 223 C HN 1.004 nan 8.230 nan 0.000 0.513 224 F N 1.771 121.846 119.950 0.209 0.000 2.091 224 F HA -0.199 4.329 4.527 0.001 0.000 0.299 224 F C 2.001 177.909 175.800 0.180 0.000 1.103 224 F CA 2.391 60.512 58.000 0.201 0.000 1.228 224 F CB 0.007 39.117 39.000 0.183 0.000 0.984 224 F HN 0.480 nan 8.300 nan 0.000 0.477 225 D N -0.266 120.371 120.400 0.396 0.000 2.133 225 D HA -0.187 4.454 4.640 0.001 0.000 0.195 225 D C 2.437 178.780 176.300 0.073 0.000 0.997 225 D CA 1.766 55.918 54.000 0.254 0.000 0.840 225 D CB -0.567 40.385 40.800 0.254 0.000 0.947 225 D HN 0.251 nan 8.370 nan 0.000 0.452 226 S N -0.620 115.124 115.700 0.074 0.000 2.447 226 S HA -0.106 4.365 4.470 0.001 0.000 0.233 226 S C 2.028 176.541 174.600 -0.146 0.000 1.006 226 S CA 1.413 59.540 58.200 -0.123 0.000 0.957 226 S CB -0.224 62.857 63.200 -0.198 0.000 0.773 226 S HN 0.543 nan 8.310 nan 0.000 0.507 227 T N -0.512 114.041 114.554 -0.001 0.000 3.067 227 T HA 0.133 4.484 4.350 0.001 0.000 0.261 227 T C 0.620 175.237 174.700 -0.138 0.000 1.110 227 T CA 0.016 62.120 62.100 0.008 0.000 1.113 227 T CB -0.410 68.433 68.868 -0.042 0.000 0.917 227 T HN 0.040 nan 8.240 nan 0.000 0.499 228 V N 4.179 123.971 119.914 -0.203 0.000 2.446 228 V HA 0.294 4.415 4.120 0.001 0.000 0.276 228 V C 1.138 177.174 176.094 -0.097 0.000 1.030 228 V CA -0.217 61.993 62.300 -0.152 0.000 1.033 228 V CB -0.117 31.660 31.823 -0.077 0.000 0.993 228 V HN 0.714 nan 8.190 nan 0.000 0.477 229 T N 1.004 115.515 114.554 -0.072 0.000 2.902 229 T HA 0.345 4.696 4.350 0.001 0.000 0.280 229 T C 0.992 175.667 174.700 -0.042 0.000 0.992 229 T CA -0.627 61.436 62.100 -0.062 0.000 1.015 229 T CB 1.360 70.196 68.868 -0.052 0.000 1.044 229 T HN 0.647 nan 8.240 nan 0.000 0.520 230 E N 0.113 120.289 120.200 -0.039 0.000 2.097 230 E HA -0.214 4.136 4.350 0.001 0.000 0.196 230 E C 2.286 178.880 176.600 -0.010 0.000 1.000 230 E CA 1.140 57.529 56.400 -0.018 0.000 0.804 230 E CB -0.128 29.561 29.700 -0.018 0.000 0.740 230 E HN 0.634 nan 8.360 nan 0.000 0.454 231 R N 0.903 121.390 120.500 -0.021 0.000 2.081 231 R HA -0.188 4.153 4.340 0.001 0.000 0.235 231 R C 1.566 177.859 176.300 -0.012 0.000 1.131 231 R CA 1.813 57.900 56.100 -0.021 0.000 0.960 231 R CB -0.024 30.252 30.300 -0.040 0.000 0.856 231 R HN 0.099 nan 8.270 nan 0.000 0.436 232 D N 0.384 120.776 120.400 -0.014 0.000 2.123 232 D HA -0.177 4.464 4.640 0.001 0.000 0.196 232 D C 1.856 178.163 176.300 0.012 0.000 0.992 232 D CA 1.427 55.433 54.000 0.009 0.000 0.833 232 D CB -0.116 40.686 40.800 0.005 0.000 0.954 232 D HN 0.340 nan 8.370 nan 0.000 0.455 233 I N 0.256 120.833 120.570 0.012 0.000 2.353 233 I HA -0.147 4.024 4.170 0.001 0.000 0.248 233 I C 2.404 178.526 176.117 0.009 0.000 1.119 233 I CA 0.730 62.045 61.300 0.025 0.000 1.417 233 I CB -0.020 38.016 38.000 0.060 0.000 1.078 233 I HN -0.122 nan 8.210 nan 0.000 0.421 234 R N -0.072 120.434 120.500 0.010 0.000 2.115 234 R HA -0.082 4.259 4.340 0.001 0.000 0.230 234 R C 2.255 178.543 176.300 -0.020 0.000 1.111 234 R CA 1.595 57.702 56.100 0.010 0.000 0.976 234 R CB -0.470 29.843 30.300 0.021 0.000 0.870 234 R HN 0.285 nan 8.270 nan 0.000 0.445 235 T N 0.942 115.483 114.554 -0.022 0.000 2.821 235 T HA -0.122 4.229 4.350 0.001 0.000 0.267 235 T C 1.421 176.047 174.700 -0.122 0.000 1.046 235 T CA 1.295 63.378 62.100 -0.028 0.000 1.139 235 T CB -0.053 68.838 68.868 0.038 0.000 0.871 235 T HN 0.368 nan 8.240 nan 0.000 0.454 236 E N 0.827 120.915 120.200 -0.186 0.000 2.077 236 E HA -0.158 4.192 4.350 0.001 0.000 0.193 236 E C 2.286 178.358 176.600 -0.880 0.000 0.989 236 E CA 0.937 57.061 56.400 -0.459 0.000 0.800 236 E CB -0.092 29.385 29.700 -0.371 0.000 0.746 236 E HN 0.545 nan 8.360 nan 0.000 0.452 237 E N 0.724 120.634 120.200 -0.484 0.000 2.085 237 E HA -0.214 4.137 4.350 0.001 0.000 0.194 237 E C 2.133 178.655 176.600 -0.130 0.000 0.994 237 E CA 1.585 57.839 56.400 -0.244 0.000 0.801 237 E CB 0.005 29.737 29.700 0.053 0.000 0.743 237 E HN 0.236 nan 8.360 nan 0.000 0.453 238 S N 0.194 115.834 115.700 -0.100 0.000 2.419 238 S HA -0.134 4.337 4.470 0.001 0.000 0.233 238 S C 2.012 176.583 174.600 -0.049 0.000 1.016 238 S CA 0.982 59.159 58.200 -0.038 0.000 0.974 238 S CB -0.489 62.700 63.200 -0.020 0.000 0.786 238 S HN 0.316 nan 8.310 nan 0.000 0.492 239 I N 0.011 120.504 120.570 -0.129 0.000 2.286 239 I HA -0.093 4.077 4.170 0.001 0.000 0.245 239 I C 2.297 178.438 176.117 0.040 0.000 1.104 239 I CA 1.087 62.341 61.300 -0.076 0.000 1.397 239 I CB -0.548 37.386 38.000 -0.111 0.000 1.072 239 I HN 0.200 nan 8.210 nan 0.000 0.417 240 Y N 1.375 121.692 120.300 0.028 0.000 2.128 240 Y HA -0.246 4.305 4.550 0.001 0.000 0.284 240 Y C 2.681 178.601 175.900 0.032 0.000 1.154 240 Y CA 0.770 58.888 58.100 0.030 0.000 1.149 240 Y CB -1.223 37.271 38.460 0.056 0.000 0.976 240 Y HN 0.260 nan 8.280 nan 0.000 0.505 241 Q N -0.439 119.471 119.800 0.183 0.000 2.369 241 Q HA 0.020 4.361 4.340 0.001 0.000 0.206 241 Q C 2.364 178.406 176.000 0.069 0.000 0.963 241 Q CA 0.929 56.800 55.803 0.113 0.000 0.894 241 Q CB -0.461 28.328 28.738 0.085 0.000 0.965 241 Q HN 0.525 nan 8.270 nan 0.000 0.475 242 A N 0.330 123.186 122.820 0.059 0.000 2.066 242 A HA -0.067 4.254 4.320 0.001 0.000 0.218 242 A C 1.252 178.858 177.584 0.037 0.000 1.157 242 A CA 0.212 52.271 52.037 0.036 0.000 0.670 242 A CB -0.325 18.689 19.000 0.023 0.000 0.804 242 A HN 0.366 nan 8.150 nan 0.000 0.453 243 C N 0.704 120.035 119.300 0.052 0.000 2.700 243 C HA 0.367 4.828 4.460 0.001 0.000 0.397 243 C C 1.040 176.051 174.990 0.034 0.000 1.301 243 C CA -0.611 58.430 59.018 0.039 0.000 2.219 243 C CB 0.297 28.064 27.740 0.044 0.000 2.699 243 C HN 0.495 nan 8.230 nan 0.000 0.669 244 S N 2.325 118.039 115.700 0.023 0.000 2.430 244 S HA 0.479 4.950 4.470 0.001 0.000 0.282 244 S C -0.379 174.237 174.600 0.027 0.000 1.186 244 S CA -0.201 58.013 58.200 0.023 0.000 1.060 244 S CB -0.248 62.961 63.200 0.016 0.000 0.966 244 S HN 0.442 nan 8.310 nan 0.000 0.501 245 L N 3.980 125.224 121.223 0.035 0.000 2.323 245 L HA 0.610 4.951 4.340 0.001 0.000 0.265 245 L C -2.155 174.741 176.870 0.043 0.000 1.012 245 L CA -2.595 52.271 54.840 0.044 0.000 0.820 245 L CB 1.234 43.329 42.059 0.059 0.000 1.334 245 L HN 0.339 nan 8.230 nan 0.000 0.427 246 P HA 0.036 nan 4.420 nan 0.000 0.272 246 P C 0.143 177.478 177.300 0.058 0.000 1.223 246 P CA -0.201 62.929 63.100 0.051 0.000 0.784 246 P CB 1.037 32.773 31.700 0.060 0.000 0.923 247 E N 1.015 121.243 120.200 0.047 0.000 2.160 247 E HA -0.253 4.098 4.350 0.001 0.000 0.195 247 E C 1.623 178.254 176.600 0.052 0.000 0.991 247 E CA 1.215 57.639 56.400 0.040 0.000 0.810 247 E CB 0.116 29.832 29.700 0.025 0.000 0.742 247 E HN 0.567 nan 8.360 nan 0.000 0.466 248 E N -0.340 119.909 120.200 0.082 0.000 2.110 248 E HA -0.200 4.151 4.350 0.001 0.000 0.193 248 E C 1.887 178.570 176.600 0.138 0.000 0.988 248 E CA 0.944 57.414 56.400 0.118 0.000 0.804 248 E CB -0.082 29.738 29.700 0.200 0.000 0.745 248 E HN 0.314 nan 8.360 nan 0.000 0.458 249 A N 1.239 124.157 122.820 0.164 0.000 1.930 249 A HA -0.154 4.167 4.320 0.001 0.000 0.217 249 A C 2.108 179.753 177.584 0.102 0.000 1.175 249 A CA 1.170 53.312 52.037 0.174 0.000 0.627 249 A CB -0.383 18.710 19.000 0.156 0.000 0.815 249 A HN 0.160 nan 8.150 nan 0.000 0.443 250 R N -0.784 119.764 120.500 0.079 0.000 2.091 250 R HA -0.111 4.230 4.340 0.001 0.000 0.238 250 R C 2.268 178.602 176.300 0.057 0.000 1.136 250 R CA 1.901 58.042 56.100 0.069 0.000 0.959 250 R CB -0.927 29.400 30.300 0.044 0.000 0.856 250 R HN 0.535 nan 8.270 nan 0.000 0.437 251 T N 1.005 115.568 114.554 0.016 0.000 2.674 251 T HA -0.144 4.207 4.350 0.001 0.000 0.265 251 T C 1.985 176.647 174.700 -0.064 0.000 1.039 251 T CA 1.539 63.629 62.100 -0.018 0.000 1.150 251 T CB -0.278 68.553 68.868 -0.061 0.000 0.864 251 T HN 0.397 nan 8.240 nan 0.000 0.427 252 A N 0.899 123.619 122.820 -0.167 0.000 1.902 252 A HA 0.011 4.331 4.320 0.001 0.000 0.217 252 A C 2.304 179.807 177.584 -0.136 0.000 1.181 252 A CA 1.150 52.992 52.037 -0.325 0.000 0.623 252 A CB -0.774 17.843 19.000 -0.640 0.000 0.818 252 A HN 0.521 nan 8.150 nan 0.000 0.443 253 I N -1.411 119.162 120.570 0.006 0.000 2.252 253 I HA -0.254 3.916 4.170 0.001 0.000 0.245 253 I C 2.503 178.685 176.117 0.108 0.000 1.102 253 I CA 1.782 63.143 61.300 0.101 0.000 1.385 253 I CB -0.406 37.700 38.000 0.177 0.000 1.064 253 I HN 0.565 nan 8.210 nan 0.000 0.414 254 H N 0.565 119.644 119.070 0.015 0.000 2.353 254 H HA -0.124 4.432 4.556 0.001 0.000 0.300 254 H C 2.394 177.694 175.328 -0.045 0.000 1.090 254 H CA 2.036 58.086 56.048 0.004 0.000 1.327 254 H CB 0.004 29.762 29.762 -0.007 0.000 1.383 254 H HN 0.092 nan 8.280 nan 0.000 0.508 255 S N -0.114 115.495 115.700 -0.151 0.000 2.370 255 S HA -0.126 4.344 4.470 0.001 0.000 0.226 255 S C 2.278 176.716 174.600 -0.270 0.000 1.033 255 S CA 1.331 59.397 58.200 -0.223 0.000 1.011 255 S CB -0.323 62.765 63.200 -0.187 0.000 0.852 255 S HN 0.356 nan 8.310 nan 0.000 0.457 256 L N 0.818 121.874 121.223 -0.278 0.000 2.046 256 L HA -0.128 4.213 4.340 0.001 0.000 0.208 256 L C 2.696 179.206 176.870 -0.601 0.000 1.077 256 L CA 1.184 55.745 54.840 -0.465 0.000 0.747 256 L CB -1.077 40.691 42.059 -0.485 0.000 0.896 256 L HN 0.305 nan 8.230 nan 0.000 0.432 257 T N -0.856 113.524 114.554 -0.290 0.000 2.652 257 T HA -0.188 4.163 4.350 0.001 0.000 0.267 257 T C 1.778 176.394 174.700 -0.140 0.000 1.039 257 T CA 1.380 63.442 62.100 -0.062 0.000 1.153 257 T CB -0.125 68.783 68.868 0.068 0.000 0.863 257 T HN 0.268 nan 8.240 nan 0.000 0.428 258 E N 0.668 120.716 120.200 -0.253 0.000 2.216 258 E HA 0.037 4.388 4.350 0.001 0.000 0.192 258 E C 2.337 178.852 176.600 -0.142 0.000 0.988 258 E CA 0.722 56.998 56.400 -0.206 0.000 0.834 258 E CB -0.054 29.462 29.700 -0.307 0.000 0.772 258 E HN 0.457 nan 8.360 nan 0.000 0.479 259 R N -0.619 119.775 120.500 -0.177 0.000 2.206 259 R HA 0.124 4.465 4.340 0.001 0.000 0.198 259 R C 1.849 178.073 176.300 -0.127 0.000 0.986 259 R CA 0.290 56.312 56.100 -0.129 0.000 1.029 259 R CB 0.290 30.509 30.300 -0.134 0.000 0.966 259 R HN 0.029 nan 8.270 nan 0.000 0.487 260 L N -1.958 119.147 121.223 -0.197 0.000 2.666 260 L HA 0.187 4.528 4.340 0.001 0.000 0.184 260 L C 1.329 178.184 176.870 -0.025 0.000 1.092 260 L CA 0.782 55.524 54.840 -0.163 0.000 0.857 260 L CB -0.304 41.590 42.059 -0.274 0.000 1.281 260 L HN -0.121 nan 8.230 nan 0.000 0.489 261 Y N 0.715 121.020 120.300 0.007 0.000 2.181 261 Y HA -0.094 4.456 4.550 0.001 0.000 0.288 261 Y C 2.679 178.580 175.900 0.001 0.000 1.146 261 Y CA 1.595 59.710 58.100 0.025 0.000 1.164 261 Y CB -1.546 36.954 38.460 0.066 0.000 0.982 261 Y HN 0.221 nan 8.280 nan 0.000 0.515 262 V N -2.550 117.434 119.914 0.117 0.000 2.809 262 V HA 0.404 4.524 4.120 0.001 0.000 0.256 262 V C 1.017 177.121 176.094 0.017 0.000 1.080 262 V CA 1.059 63.392 62.300 0.054 0.000 1.102 262 V CB -0.872 30.967 31.823 0.026 0.000 0.705 262 V HN 0.446 nan 8.190 nan 0.000 0.475 263 G N -2.297 106.500 108.800 -0.006 0.000 2.359 263 G HA2 0.586 4.546 3.960 0.001 0.000 0.293 263 G HA3 0.586 4.546 3.960 0.001 0.000 0.293 263 G C -0.445 174.338 174.900 -0.195 0.000 1.300 263 G CA -0.116 44.937 45.100 -0.079 0.000 0.888 263 G HN 1.703 nan 8.290 nan 0.000 0.541 264 G N -1.049 107.392 108.800 -0.598 0.000 2.337 264 G HA2 0.673 4.633 3.960 0.001 0.000 0.298 264 G HA3 0.673 4.633 3.960 0.001 0.000 0.298 264 G C -3.516 170.662 174.900 -1.204 0.000 1.335 264 G CA 0.196 44.807 45.100 -0.814 0.000 0.875 264 G HN 0.886 nan 8.290 nan 0.000 0.579 265 P HA 0.450 nan 4.420 nan 0.000 0.279 265 P C -0.505 176.609 177.300 -0.310 0.000 1.239 265 P CA -0.131 62.688 63.100 -0.469 0.000 0.789 265 P CB 1.023 32.649 31.700 -0.123 0.000 0.933 266 M N 2.860 122.225 119.600 -0.392 0.000 2.294 266 M HA 0.456 4.937 4.480 0.001 0.000 0.335 266 M C -0.551 175.509 176.300 -0.400 0.000 1.079 266 M CA -0.439 54.717 55.300 -0.239 0.000 0.982 266 M CB 1.201 33.694 32.600 -0.177 0.000 1.651 266 M HN 0.202 nan 8.290 nan 0.000 0.437 267 F N 1.404 121.313 119.950 -0.069 0.000 2.522 267 F HA 0.417 4.944 4.527 0.001 0.000 0.324 267 F C 0.484 176.261 175.800 -0.038 0.000 1.077 267 F CA -1.022 56.952 58.000 -0.042 0.000 0.944 267 F CB 1.230 40.196 39.000 -0.057 0.000 1.175 267 F HN 0.593 nan 8.300 nan 0.000 0.468 268 N N -0.492 118.297 118.700 0.148 0.000 2.320 268 N HA 0.076 4.817 4.740 0.001 0.000 0.263 268 N C 0.856 176.416 175.510 0.083 0.000 1.285 268 N CA -0.024 53.083 53.050 0.095 0.000 0.945 268 N CB 0.064 38.596 38.487 0.075 0.000 1.187 268 N HN 0.559 nan 8.380 nan 0.000 0.545 269 S N -1.387 114.349 115.700 0.059 0.000 2.474 269 S HA -0.077 4.394 4.470 0.001 0.000 0.235 269 S C 0.958 175.577 174.600 0.031 0.000 0.997 269 S CA 0.614 58.840 58.200 0.043 0.000 0.949 269 S CB -0.438 62.792 63.200 0.049 0.000 0.766 269 S HN 0.621 nan 8.310 nan 0.000 0.517 270 K N 0.726 121.151 120.400 0.042 0.000 2.444 270 K HA 0.287 4.608 4.320 0.001 0.000 0.193 270 K C 1.228 177.852 176.600 0.040 0.000 1.024 270 K CA 0.339 56.646 56.287 0.033 0.000 1.077 270 K CB -0.145 32.376 32.500 0.036 0.000 0.833 270 K HN 0.512 nan 8.250 nan 0.000 0.517 271 G N 1.818 110.657 108.800 0.066 0.000 2.148 271 G HA2 -0.313 3.648 3.960 0.001 0.000 0.254 271 G HA3 -0.313 3.648 3.960 0.001 0.000 0.254 271 G C -0.253 174.778 174.900 0.219 0.000 0.981 271 G CA -0.034 45.120 45.100 0.091 0.000 0.670 271 G HN 0.365 nan 8.290 nan 0.000 0.528 272 Q N 0.913 120.822 119.800 0.182 0.000 2.314 272 Q HA 0.437 4.778 4.340 0.001 0.000 0.258 272 Q C 0.426 176.513 176.000 0.146 0.000 0.954 272 Q CA 0.170 56.069 55.803 0.160 0.000 0.890 272 Q CB 0.651 29.441 28.738 0.085 0.000 1.210 272 Q HN 0.279 nan 8.270 nan 0.000 0.410 273 T N 1.207 115.783 114.554 0.037 0.000 2.829 273 T HA -0.056 4.295 4.350 0.001 0.000 0.293 273 T C 0.528 175.133 174.700 -0.159 0.000 0.970 273 T CA -0.285 61.634 62.100 -0.301 0.000 1.168 273 T CB 0.431 69.143 68.868 -0.260 0.000 0.911 273 T HN 0.758 nan 8.240 nan 0.000 0.535 274 C N 3.031 122.211 119.300 -0.201 0.000 2.535 274 C HA 0.608 5.068 4.460 0.001 0.000 0.310 274 C C 1.418 176.437 174.990 0.047 0.000 1.344 274 C CA 0.917 59.933 59.018 -0.003 0.000 1.831 274 C CB -0.844 26.926 27.740 0.050 0.000 2.284 274 C HN 1.128 nan 8.230 nan 0.000 0.523 275 G N -1.825 106.893 108.800 -0.138 0.000 2.335 275 G HA2 0.386 4.347 3.960 0.001 0.000 0.291 275 G HA3 0.386 4.347 3.960 0.001 0.000 0.291 275 G C -2.298 172.475 174.900 -0.211 0.000 1.261 275 G CA -0.252 44.729 45.100 -0.198 0.000 0.871 275 G HN 0.163 nan 8.290 nan 0.000 0.491 276 Y N 0.411 120.505 120.300 -0.344 0.000 2.442 276 Y HA 0.749 5.299 4.550 0.001 0.000 0.344 276 Y C 0.065 175.828 175.900 -0.229 0.000 0.976 276 Y CA -0.910 57.045 58.100 -0.241 0.000 1.040 276 Y CB 2.089 40.434 38.460 -0.192 0.000 1.228 276 Y HN 0.634 nan 8.280 nan 0.000 0.451 277 R N 4.732 125.036 120.500 -0.326 0.000 2.393 277 R HA 0.511 4.851 4.340 0.001 0.000 0.310 277 R C -0.659 175.532 176.300 -0.182 0.000 0.968 277 R CA -0.547 55.388 56.100 -0.276 0.000 0.867 277 R CB 0.861 31.037 30.300 -0.208 0.000 1.124 277 R HN 0.905 nan 8.270 nan 0.000 0.450 278 R N 3.166 123.512 120.500 -0.257 0.000 2.659 278 R HA 0.212 4.553 4.340 0.001 0.000 0.418 278 R C -0.548 175.623 176.300 -0.216 0.000 1.076 278 R CA -0.283 55.731 56.100 -0.144 0.000 1.093 278 R CB 0.386 30.632 30.300 -0.090 0.000 1.400 278 R HN 0.768 nan 8.270 nan 0.000 0.583 279 C N -1.975 117.147 119.300 -0.295 0.000 3.321 279 C HA 0.614 5.075 4.460 0.001 0.000 0.363 279 C C -0.245 174.671 174.990 -0.123 0.000 1.705 279 C CA -1.567 57.312 59.018 -0.233 0.000 1.298 279 C CB 1.066 28.594 27.740 -0.353 0.000 2.086 279 C HN 0.365 nan 8.230 nan 0.000 0.438 280 R N 1.276 121.748 120.500 -0.047 0.000 2.538 280 R HA 0.466 4.807 4.340 0.001 0.000 0.282 280 R C 0.035 176.380 176.300 0.075 0.000 1.009 280 R CA 0.987 57.114 56.100 0.045 0.000 1.063 280 R CB -0.084 30.281 30.300 0.108 0.000 0.945 280 R HN 1.225 nan 8.270 nan 0.000 0.414 281 A N 3.695 126.580 122.820 0.108 0.000 2.362 281 A HA 0.219 4.540 4.320 0.001 0.000 0.276 281 A C 0.969 178.648 177.584 0.157 0.000 1.153 281 A CA 0.027 52.150 52.037 0.143 0.000 0.813 281 A CB 0.397 19.495 19.000 0.163 0.000 1.081 281 A HN 1.019 nan 8.150 nan 0.000 0.507 282 S N 2.080 117.890 115.700 0.182 0.000 2.474 282 S HA 0.051 4.522 4.470 0.001 0.000 0.235 282 S C 1.042 175.737 174.600 0.158 0.000 0.997 282 S CA 0.814 59.119 58.200 0.175 0.000 0.949 282 S CB 0.064 63.379 63.200 0.191 0.000 0.766 282 S HN 1.317 nan 8.310 nan 0.000 0.517 283 G N 1.552 110.461 108.800 0.182 0.000 4.828 283 G HA2 0.523 4.483 3.960 0.001 0.000 0.294 283 G HA3 0.523 4.483 3.960 0.001 0.000 0.294 283 G C -0.241 174.768 174.900 0.182 0.000 1.288 283 G CA -0.088 45.120 45.100 0.180 0.000 0.987 283 G HN 0.541 nan 8.290 nan 0.000 0.587 284 V N -2.414 117.589 119.914 0.149 0.000 3.126 284 V HA 0.624 4.744 4.120 0.001 0.000 0.314 284 V C 1.315 177.460 176.094 0.086 0.000 1.138 284 V CA -0.944 61.455 62.300 0.166 0.000 1.034 284 V CB 1.688 33.673 31.823 0.270 0.000 1.075 284 V HN 0.083 nan 8.190 nan 0.000 0.442 285 L N 1.883 123.166 121.223 0.100 0.000 2.141 285 L HA -0.004 4.336 4.340 0.001 0.000 0.209 285 L C 2.241 179.091 176.870 -0.034 0.000 1.094 285 L CA 2.989 57.859 54.840 0.051 0.000 0.763 285 L CB -0.626 41.493 42.059 0.101 0.000 0.908 285 L HN 1.086 nan 8.230 nan 0.000 0.437 286 T N -5.735 108.727 114.554 -0.153 0.000 3.169 286 T HA 0.013 4.363 4.350 0.001 0.000 0.250 286 T C 1.521 176.157 174.700 -0.107 0.000 1.111 286 T CA 0.708 62.677 62.100 -0.219 0.000 1.010 286 T CB -0.708 67.838 68.868 -0.536 0.000 0.984 286 T HN 0.268 nan 8.240 nan 0.000 0.537 287 T N 1.710 116.237 114.554 -0.046 0.000 2.708 287 T HA -0.115 4.236 4.350 0.001 0.000 0.266 287 T C 2.204 176.944 174.700 0.066 0.000 1.037 287 T CA 1.674 63.793 62.100 0.032 0.000 1.146 287 T CB -0.510 68.396 68.868 0.063 0.000 0.865 287 T HN 0.531 nan 8.240 nan 0.000 0.435 288 S N 0.508 116.230 115.700 0.037 0.000 2.345 288 S HA 0.012 4.483 4.470 0.001 0.000 0.219 288 S C 2.160 176.839 174.600 0.131 0.000 1.031 288 S CA 1.270 59.507 58.200 0.062 0.000 0.984 288 S CB -0.411 62.739 63.200 -0.084 0.000 0.874 288 S HN 0.484 nan 8.310 nan 0.000 0.451 289 M N 0.968 120.618 119.600 0.084 0.000 2.080 289 M HA -0.031 4.449 4.480 0.001 0.000 0.260 289 M C 2.034 178.415 176.300 0.135 0.000 1.068 289 M CA 2.063 57.423 55.300 0.100 0.000 1.109 289 M CB -0.945 31.662 32.600 0.013 0.000 1.342 289 M HN 0.440 nan 8.290 nan 0.000 0.405 290 G N 0.453 109.332 108.800 0.131 0.000 2.446 290 G HA2 -0.279 3.682 3.960 0.001 0.000 0.217 290 G HA3 -0.279 3.682 3.960 0.001 0.000 0.217 290 G C 1.179 176.198 174.900 0.198 0.000 1.168 290 G CA 1.251 46.447 45.100 0.160 0.000 0.771 290 G HN 0.476 nan 8.290 nan 0.000 0.551 291 N N 0.423 119.245 118.700 0.203 0.000 2.084 291 N HA -0.082 4.658 4.740 0.001 0.000 0.190 291 N C 2.427 178.006 175.510 0.115 0.000 1.030 291 N CA 1.646 54.814 53.050 0.195 0.000 0.849 291 N CB -0.932 37.573 38.487 0.030 0.000 1.012 291 N HN 0.250 nan 8.380 nan 0.000 0.423 292 T N 1.822 116.466 114.554 0.150 0.000 2.635 292 T HA -0.071 4.279 4.350 0.001 0.000 0.267 292 T C 2.089 176.899 174.700 0.182 0.000 1.040 292 T CA 1.034 63.240 62.100 0.176 0.000 1.156 292 T CB -0.331 68.708 68.868 0.286 0.000 0.863 292 T HN 0.182 nan 8.240 nan 0.000 0.430 293 I N 0.835 121.502 120.570 0.161 0.000 2.179 293 I HA -0.165 4.005 4.170 0.001 0.000 0.242 293 I C 2.713 178.960 176.117 0.216 0.000 1.088 293 I CA 1.189 62.581 61.300 0.153 0.000 1.357 293 I CB -0.590 37.468 38.000 0.098 0.000 1.051 293 I HN 0.261 nan 8.210 nan 0.000 0.409 294 T N -0.388 114.308 114.554 0.236 0.000 2.857 294 T HA -0.186 4.164 4.350 0.001 0.000 0.266 294 T C 2.032 176.944 174.700 0.353 0.000 1.048 294 T CA 1.193 63.456 62.100 0.273 0.000 1.139 294 T CB -0.413 68.635 68.868 0.300 0.000 0.874 294 T HN 0.494 nan 8.240 nan 0.000 0.455 295 C N 0.676 120.221 119.300 0.409 0.000 2.429 295 C HA -0.079 4.382 4.460 0.001 0.000 0.277 295 C C 2.354 177.518 174.990 0.290 0.000 1.262 295 C CA 0.426 59.674 59.018 0.383 0.000 1.733 295 C CB -1.382 26.453 27.740 0.158 0.000 2.010 295 C HN 0.647 nan 8.230 nan 0.000 0.483 296 Y N 1.299 121.679 120.300 0.133 0.000 2.145 296 Y HA -0.122 4.428 4.550 0.001 0.000 0.286 296 Y C 2.257 178.191 175.900 0.057 0.000 1.145 296 Y CA 2.383 60.538 58.100 0.093 0.000 1.148 296 Y CB -0.476 38.024 38.460 0.067 0.000 0.981 296 Y HN 0.212 nan 8.280 nan 0.000 0.507 297 V N 0.641 120.597 119.914 0.070 0.000 2.261 297 V HA -0.327 3.794 4.120 0.001 0.000 0.246 297 V C 2.270 178.260 176.094 -0.173 0.000 1.047 297 V CA 2.401 64.615 62.300 -0.142 0.000 1.015 297 V CB -0.692 31.032 31.823 -0.163 0.000 0.642 297 V HN 0.307 nan 8.190 nan 0.000 0.446 298 K N 0.341 120.741 120.400 0.001 0.000 2.032 298 K HA -0.144 4.176 4.320 0.001 0.000 0.209 298 K C 2.334 178.970 176.600 0.060 0.000 1.048 298 K CA 1.583 57.902 56.287 0.054 0.000 0.927 298 K CB -0.498 32.120 32.500 0.197 0.000 0.712 298 K HN 0.467 nan 8.250 nan 0.000 0.441 299 A N 1.182 124.037 122.820 0.057 0.000 1.902 299 A HA -0.154 4.167 4.320 0.001 0.000 0.217 299 A C 2.072 179.715 177.584 0.099 0.000 1.181 299 A CA 1.189 53.300 52.037 0.124 0.000 0.623 299 A CB -0.460 18.681 19.000 0.235 0.000 0.818 299 A HN 0.223 nan 8.150 nan 0.000 0.443 300 L N -0.403 120.746 121.223 -0.125 0.000 2.072 300 L HA 0.050 4.391 4.340 0.001 0.000 0.205 300 L C 2.671 179.498 176.870 -0.070 0.000 1.079 300 L CA 2.012 56.745 54.840 -0.179 0.000 0.752 300 L CB -0.906 40.865 42.059 -0.481 0.000 0.906 300 L HN 0.331 nan 8.230 nan 0.000 0.436 301 A N -0.459 122.320 122.820 -0.068 0.000 1.902 301 A HA -0.110 4.210 4.320 0.001 0.000 0.217 301 A C 2.440 180.102 177.584 0.130 0.000 1.181 301 A CA 1.793 53.852 52.037 0.037 0.000 0.623 301 A CB -1.128 17.863 19.000 -0.013 0.000 0.818 301 A HN 0.541 nan 8.150 nan 0.000 0.443 302 A N -1.010 121.903 122.820 0.156 0.000 1.933 302 A HA -0.156 4.164 4.320 0.001 0.000 0.218 302 A C 2.281 179.910 177.584 0.076 0.000 1.175 302 A CA 1.627 53.635 52.037 -0.048 0.000 0.628 302 A CB -1.268 17.373 19.000 -0.599 0.000 0.814 302 A HN 0.606 nan 8.150 nan 0.000 0.444 303 C N -0.472 118.973 119.300 0.243 0.000 2.413 303 C HA -0.107 4.354 4.460 0.001 0.000 0.276 303 C C 2.717 177.730 174.990 0.039 0.000 1.248 303 C CA 1.373 60.532 59.018 0.235 0.000 1.742 303 C CB -1.042 26.799 27.740 0.169 0.000 2.017 303 C HN 0.622 nan 8.230 nan 0.000 0.481 304 K N 1.173 121.528 120.400 -0.075 0.000 2.057 304 K HA -0.073 4.248 4.320 0.001 0.000 0.206 304 K C 2.275 178.588 176.600 -0.479 0.000 1.050 304 K CA 1.518 57.651 56.287 -0.258 0.000 0.935 304 K CB -0.343 31.978 32.500 -0.300 0.000 0.715 304 K HN 0.472 nan 8.250 nan 0.000 0.439 305 A N 1.487 124.036 122.820 -0.452 0.000 1.933 305 A HA -0.099 4.222 4.320 0.001 0.000 0.218 305 A C 2.292 179.813 177.584 -0.106 0.000 1.175 305 A CA 1.860 53.727 52.037 -0.283 0.000 0.628 305 A CB -0.527 18.419 19.000 -0.091 0.000 0.814 305 A HN 0.337 nan 8.150 nan 0.000 0.444 306 A N -1.863 120.931 122.820 -0.042 0.000 2.123 306 A HA 0.405 4.726 4.320 0.001 0.000 0.214 306 A C 1.817 179.409 177.584 0.014 0.000 1.152 306 A CA 1.231 53.281 52.037 0.023 0.000 0.728 306 A CB -0.859 18.221 19.000 0.133 0.000 0.814 306 A HN 1.925 nan 8.150 nan 0.000 0.464 307 G N -0.232 108.563 108.800 -0.008 0.000 2.225 307 G HA2 -0.187 3.774 3.960 0.001 0.000 0.264 307 G HA3 -0.187 3.774 3.960 0.001 0.000 0.264 307 G C -0.059 174.852 174.900 0.018 0.000 1.060 307 G CA 0.106 45.206 45.100 0.000 0.000 0.833 307 G HN 0.305 nan 8.290 nan 0.000 0.498 308 I N 0.421 121.014 120.570 0.039 0.000 2.598 308 I HA 0.154 4.325 4.170 0.001 0.000 0.284 308 I C 1.030 177.162 176.117 0.024 0.000 1.140 308 I CA -0.320 61.009 61.300 0.048 0.000 1.420 308 I CB 1.054 39.110 38.000 0.093 0.000 1.387 308 I HN -0.075 nan 8.210 nan 0.000 0.553 309 V N 6.507 126.428 119.914 0.012 0.000 2.364 309 V HA 0.458 4.579 4.120 0.001 0.000 0.272 309 V C 0.726 176.813 176.094 -0.012 0.000 1.036 309 V CA -0.484 61.816 62.300 -0.001 0.000 0.880 309 V CB 0.871 32.691 31.823 -0.006 0.000 0.991 309 V HN 1.000 nan 8.190 nan 0.000 0.460 310 A N 6.073 128.888 122.820 -0.009 0.000 2.648 310 A HA -0.074 4.246 4.320 0.001 0.000 0.297 310 A C -1.889 175.683 177.584 -0.021 0.000 1.467 310 A CA -0.073 51.955 52.037 -0.015 0.000 0.731 310 A CB -1.616 17.367 19.000 -0.028 0.000 1.085 310 A HN 0.616 nan 8.150 nan 0.000 0.437 311 P HA 0.390 nan 4.420 nan 0.000 0.276 311 P C -0.197 177.102 177.300 -0.003 0.000 1.230 311 P CA 0.457 63.546 63.100 -0.019 0.000 0.776 311 P CB 1.020 32.717 31.700 -0.004 0.000 0.888 312 T N 4.641 119.181 114.554 -0.024 0.000 2.815 312 T HA 0.488 4.838 4.350 0.001 0.000 0.289 312 T C 0.191 174.906 174.700 0.024 0.000 1.000 312 T CA -0.391 61.718 62.100 0.014 0.000 0.958 312 T CB 0.422 69.258 68.868 -0.054 0.000 0.944 312 T HN 0.282 nan 8.240 nan 0.000 0.442 313 M N 3.227 122.906 119.600 0.132 0.000 2.472 313 M HA 0.607 5.088 4.480 0.001 0.000 0.331 313 M C -1.111 175.340 176.300 0.252 0.000 1.170 313 M CA -1.180 54.201 55.300 0.134 0.000 1.009 313 M CB 1.958 34.655 32.600 0.161 0.000 1.672 313 M HN 0.308 nan 8.290 nan 0.000 0.453 314 L N 3.098 124.423 121.223 0.171 0.000 2.343 314 L HA 0.610 4.950 4.340 0.001 0.000 0.278 314 L C -1.386 175.506 176.870 0.036 0.000 0.996 314 L CA -0.497 54.436 54.840 0.154 0.000 0.831 314 L CB 1.620 43.782 42.059 0.173 0.000 1.232 314 L HN 0.491 nan 8.230 nan 0.000 0.413 315 V N 4.276 124.196 119.914 0.010 0.000 2.409 315 V HA 0.439 4.560 4.120 0.001 0.000 0.291 315 V C -0.576 175.411 176.094 -0.179 0.000 1.020 315 V CA -0.460 61.835 62.300 -0.009 0.000 0.848 315 V CB 1.393 33.294 31.823 0.130 0.000 0.990 315 V HN 0.857 nan 8.190 nan 0.000 0.430 316 C N 4.863 123.998 119.300 -0.275 0.000 2.521 316 C HA 0.782 5.242 4.460 0.001 0.000 0.291 316 C C 1.288 176.190 174.990 -0.147 0.000 1.074 316 C CA -0.055 58.602 59.018 -0.602 0.000 1.495 316 C CB -0.438 26.748 27.740 -0.924 0.000 1.862 316 C HN 1.366 nan 8.230 nan 0.000 0.418 317 G N 4.359 113.247 108.800 0.146 0.000 2.591 317 G HA2 -0.296 3.664 3.960 0.001 0.000 0.298 317 G HA3 -0.296 3.664 3.960 0.001 0.000 0.298 317 G C 0.682 175.480 174.900 -0.169 0.000 1.195 317 G CA 0.899 46.068 45.100 0.114 0.000 0.989 317 G HN 0.733 nan 8.290 nan 0.000 0.551 318 D N 1.215 121.416 120.400 -0.331 0.000 2.349 318 D HA 0.094 4.734 4.640 0.001 0.000 0.224 318 D C 0.409 176.590 176.300 -0.200 0.000 1.029 318 D CA 0.844 54.463 54.000 -0.634 0.000 0.879 318 D CB -0.075 40.300 40.800 -0.707 0.000 0.906 318 D HN 0.422 nan 8.370 nan 0.000 0.528 319 D N 0.810 121.152 120.400 -0.097 0.000 2.347 319 D HA 0.247 4.888 4.640 0.001 0.000 0.235 319 D C -1.045 175.246 176.300 -0.014 0.000 1.149 319 D CA -0.608 53.373 54.000 -0.032 0.000 0.850 319 D CB 0.956 41.725 40.800 -0.053 0.000 1.061 319 D HN 0.037 nan 8.370 nan 0.000 0.487 320 L N 5.129 126.386 121.223 0.057 0.000 2.349 320 L HA 0.426 4.766 4.340 0.001 0.000 0.278 320 L C -1.551 175.324 176.870 0.008 0.000 0.996 320 L CA -0.630 54.255 54.840 0.074 0.000 0.825 320 L CB 1.853 44.030 42.059 0.197 0.000 1.243 320 L HN 0.097 nan 8.230 nan 0.000 0.412 321 V N 5.735 125.614 119.914 -0.060 0.000 2.459 321 V HA 0.598 4.718 4.120 0.001 0.000 0.295 321 V C -0.606 175.329 176.094 -0.266 0.000 1.029 321 V CA -0.601 61.603 62.300 -0.159 0.000 0.874 321 V CB 2.026 33.793 31.823 -0.095 0.000 0.985 321 V HN 0.531 nan 8.190 nan 0.000 0.438 322 V N 6.624 126.182 119.914 -0.593 0.000 2.407 322 V HA 0.521 4.642 4.120 0.001 0.000 0.291 322 V C -0.307 175.507 176.094 -0.467 0.000 1.018 322 V CA -0.385 61.534 62.300 -0.635 0.000 0.842 322 V CB 1.669 32.820 31.823 -1.121 0.000 0.996 322 V HN 0.667 nan 8.190 nan 0.000 0.426 323 I N 5.042 125.484 120.570 -0.213 0.000 2.362 323 I HA 0.637 4.808 4.170 0.001 0.000 0.289 323 I C 0.300 176.346 176.117 -0.119 0.000 0.994 323 I CA 0.154 61.391 61.300 -0.105 0.000 1.158 323 I CB 1.822 39.819 38.000 -0.005 0.000 1.315 323 I HN 0.799 nan 8.210 nan 0.000 0.451 324 S N 4.347 119.976 115.700 -0.119 0.000 2.794 324 S HA 0.502 4.973 4.470 0.001 0.000 0.299 324 S C -0.835 173.691 174.600 -0.123 0.000 1.179 324 S CA -1.067 57.076 58.200 -0.095 0.000 0.838 324 S CB 1.873 65.052 63.200 -0.035 0.000 1.206 324 S HN 0.404 nan 8.310 nan 0.000 0.523 325 E N 1.876 122.024 120.200 -0.087 0.000 2.257 325 E HA 0.225 4.576 4.350 0.001 0.000 0.278 325 E C -0.200 176.376 176.600 -0.040 0.000 1.049 325 E CA 0.075 56.425 56.400 -0.082 0.000 0.876 325 E CB 1.356 31.021 29.700 -0.058 0.000 1.035 325 E HN 0.573 nan 8.360 nan 0.000 0.419 326 S N 2.907 118.591 115.700 -0.026 0.000 2.537 326 S HA -0.032 4.438 4.470 0.001 0.000 0.286 326 S C 0.731 175.348 174.600 0.028 0.000 1.299 326 S CA -0.229 58.001 58.200 0.050 0.000 1.067 326 S CB 0.340 63.625 63.200 0.141 0.000 0.864 326 S HN 0.266 nan 8.310 nan 0.000 0.494 327 Q N 2.864 122.686 119.800 0.038 0.000 2.222 327 Q HA 0.285 4.626 4.340 0.001 0.000 0.206 327 Q C 0.908 176.920 176.000 0.018 0.000 0.877 327 Q CA 0.527 56.341 55.803 0.020 0.000 0.958 327 Q CB 0.064 28.811 28.738 0.016 0.000 1.075 327 Q HN 1.017 nan 8.270 nan 0.000 0.483 328 G N -0.270 108.546 108.800 0.026 0.000 2.629 328 G HA2 -0.215 3.746 3.960 0.001 0.000 0.686 328 G HA3 -0.215 3.746 3.960 0.001 0.000 0.686 328 G C 0.513 175.433 174.900 0.033 0.000 1.232 328 G CA -0.264 44.840 45.100 0.007 0.000 0.803 328 G HN 0.038 nan 8.290 nan 0.000 0.638 329 T N 0.474 115.027 114.554 -0.001 0.000 2.674 329 T HA -0.063 4.288 4.350 0.001 0.000 0.265 329 T C 2.106 176.836 174.700 0.049 0.000 1.039 329 T CA 2.304 64.418 62.100 0.024 0.000 1.150 329 T CB -0.225 68.622 68.868 -0.036 0.000 0.864 329 T HN 0.651 nan 8.240 nan 0.000 0.427 330 E N 0.744 120.957 120.200 0.021 0.000 2.158 330 E HA -0.077 4.274 4.350 0.001 0.000 0.191 330 E C 2.291 178.901 176.600 0.017 0.000 0.982 330 E CA 0.740 57.151 56.400 0.017 0.000 0.823 330 E CB -0.083 29.620 29.700 0.006 0.000 0.766 330 E HN 0.490 nan 8.360 nan 0.000 0.468 331 E N 1.209 121.420 120.200 0.018 0.000 2.072 331 E HA -0.160 4.191 4.350 0.001 0.000 0.191 331 E C 1.634 178.244 176.600 0.017 0.000 0.985 331 E CA 1.094 57.502 56.400 0.015 0.000 0.801 331 E CB -0.015 29.694 29.700 0.014 0.000 0.750 331 E HN 0.153 nan 8.360 nan 0.000 0.452 332 D N 0.528 120.952 120.400 0.040 0.000 2.117 332 D HA -0.144 4.497 4.640 0.001 0.000 0.197 332 D C 1.763 178.057 176.300 -0.010 0.000 0.987 332 D CA 0.827 54.847 54.000 0.033 0.000 0.829 332 D CB -0.101 40.767 40.800 0.114 0.000 0.961 332 D HN 0.146 nan 8.370 nan 0.000 0.460 333 E N 0.677 120.884 120.200 0.012 0.000 2.058 333 E HA -0.188 4.162 4.350 0.001 0.000 0.194 333 E C 2.141 178.725 176.600 -0.027 0.000 0.997 333 E CA 0.532 56.925 56.400 -0.011 0.000 0.801 333 E CB -0.185 29.521 29.700 0.010 0.000 0.746 333 E HN 0.274 nan 8.360 nan 0.000 0.450 334 R N 0.916 121.408 120.500 -0.013 0.000 2.070 334 R HA -0.136 4.205 4.340 0.001 0.000 0.233 334 R C 1.796 178.085 176.300 -0.018 0.000 1.137 334 R CA 1.440 57.533 56.100 -0.012 0.000 0.945 334 R CB -0.211 30.086 30.300 -0.004 0.000 0.845 334 R HN 0.109 nan 8.270 nan 0.000 0.430 335 N N 0.860 119.546 118.700 -0.023 0.000 2.149 335 N HA -0.167 4.574 4.740 0.001 0.000 0.188 335 N C 1.764 177.248 175.510 -0.043 0.000 1.019 335 N CA 1.013 54.051 53.050 -0.020 0.000 0.857 335 N CB -0.332 38.146 38.487 -0.015 0.000 0.997 335 N HN 0.142 nan 8.380 nan 0.000 0.426 336 L N 1.175 122.317 121.223 -0.134 0.000 2.141 336 L HA -0.017 4.324 4.340 0.001 0.000 0.209 336 L C 2.301 179.140 176.870 -0.051 0.000 1.094 336 L CA 1.188 55.886 54.840 -0.237 0.000 0.763 336 L CB -0.303 41.516 42.059 -0.401 0.000 0.908 336 L HN 0.095 nan 8.230 nan 0.000 0.437 337 R N -0.989 119.493 120.500 -0.029 0.000 2.081 337 R HA -0.120 4.221 4.340 0.001 0.000 0.235 337 R C 2.279 178.587 176.300 0.013 0.000 1.131 337 R CA 1.318 57.420 56.100 0.003 0.000 0.960 337 R CB -0.564 29.732 30.300 -0.007 0.000 0.856 337 R HN 0.381 nan 8.270 nan 0.000 0.436 338 A N 0.780 123.606 122.820 0.009 0.000 1.902 338 A HA -0.195 4.125 4.320 0.001 0.000 0.217 338 A C 1.958 179.540 177.584 -0.004 0.000 1.181 338 A CA 1.084 53.118 52.037 -0.004 0.000 0.623 338 A CB -0.660 18.341 19.000 0.001 0.000 0.818 338 A HN 0.365 nan 8.150 nan 0.000 0.443 339 F N 1.415 121.299 119.950 -0.110 0.000 2.095 339 F HA -0.202 4.326 4.527 0.001 0.000 0.298 339 F C 2.488 178.201 175.800 -0.146 0.000 1.104 339 F CA 2.421 60.347 58.000 -0.124 0.000 1.232 339 F CB -0.603 38.314 39.000 -0.139 0.000 0.987 339 F HN 0.214 nan 8.300 nan 0.000 0.475 340 T N -0.117 114.482 114.554 0.074 0.000 2.746 340 T HA -0.191 4.160 4.350 0.001 0.000 0.267 340 T C 1.715 176.377 174.700 -0.064 0.000 1.039 340 T CA 1.748 63.900 62.100 0.087 0.000 1.142 340 T CB -0.330 68.675 68.868 0.228 0.000 0.866 340 T HN 0.370 nan 8.240 nan 0.000 0.444 341 E N 0.929 121.078 120.200 -0.085 0.000 2.077 341 E HA -0.065 4.286 4.350 0.001 0.000 0.193 341 E C 2.511 178.964 176.600 -0.246 0.000 0.989 341 E CA 1.033 57.359 56.400 -0.123 0.000 0.800 341 E CB -0.208 29.438 29.700 -0.089 0.000 0.746 341 E HN 0.474 nan 8.360 nan 0.000 0.452 342 A N 1.059 123.670 122.820 -0.347 0.000 1.873 342 A HA -0.189 4.131 4.320 0.001 0.000 0.215 342 A C 2.139 179.217 177.584 -0.844 0.000 1.186 342 A CA 1.255 52.925 52.037 -0.612 0.000 0.616 342 A CB -0.338 18.350 19.000 -0.519 0.000 0.823 342 A HN 0.114 nan 8.150 nan 0.000 0.442 343 M N -0.121 119.097 119.600 -0.637 0.000 2.082 343 M HA -0.148 4.333 4.480 0.001 0.000 0.258 343 M C 2.222 178.408 176.300 -0.190 0.000 1.069 343 M CA 2.242 57.296 55.300 -0.409 0.000 1.102 343 M CB -2.117 30.138 32.600 -0.574 0.000 1.336 343 M HN 0.466 nan 8.290 nan 0.000 0.404 344 T N 0.174 114.636 114.554 -0.154 0.000 2.684 344 T HA -0.160 4.190 4.350 0.001 0.000 0.267 344 T C 1.994 176.630 174.700 -0.106 0.000 1.036 344 T CA 1.351 63.407 62.100 -0.072 0.000 1.148 344 T CB -0.246 68.589 68.868 -0.054 0.000 0.863 344 T HN 0.370 nan 8.240 nan 0.000 0.436 345 R N 0.021 120.393 120.500 -0.213 0.000 2.091 345 R HA -0.102 4.239 4.340 0.001 0.000 0.238 345 R C 1.982 178.235 176.300 -0.079 0.000 1.136 345 R CA 1.393 57.379 56.100 -0.191 0.000 0.959 345 R CB -0.408 29.713 30.300 -0.299 0.000 0.856 345 R HN 0.446 nan 8.270 nan 0.000 0.437 346 Y N 0.215 120.467 120.300 -0.080 0.000 2.632 346 Y HA 0.039 4.589 4.550 0.001 0.000 0.301 346 Y C 0.919 176.772 175.900 -0.077 0.000 1.172 346 Y CA -0.017 58.027 58.100 -0.094 0.000 1.328 346 Y CB -0.422 38.004 38.460 -0.056 0.000 1.016 346 Y HN 0.000 nan 8.280 nan 0.000 0.529 347 S N -0.273 115.468 115.700 0.068 0.000 3.968 347 S HA -0.081 4.390 4.470 0.001 0.000 0.373 347 S C -0.084 174.536 174.600 0.033 0.000 0.974 347 S CA 0.427 58.651 58.200 0.040 0.000 1.124 347 S CB -1.431 61.781 63.200 0.020 0.000 0.862 347 S HN 0.757 nan 8.310 nan 0.000 0.492 348 A N 1.990 124.851 122.820 0.067 0.000 3.453 348 A HA 0.586 4.906 4.320 0.001 0.000 0.262 348 A C -2.432 175.289 177.584 0.228 0.000 1.026 348 A CA -0.747 51.369 52.037 0.131 0.000 0.938 348 A CB 0.904 20.020 19.000 0.193 0.000 1.246 348 A HN 0.429 nan 8.150 nan 0.000 0.546 349 P HA 0.304 nan 4.420 nan 0.000 0.272 349 P C -2.876 174.490 177.300 0.110 0.000 1.223 349 P CA -1.043 62.122 63.100 0.108 0.000 0.784 349 P CB 0.432 32.120 31.700 -0.020 0.000 0.923 350 P HA 0.111 nan 4.420 nan 0.000 0.277 350 P C 0.671 177.901 177.300 -0.117 0.000 1.240 350 P CA 0.036 63.042 63.100 -0.156 0.000 0.798 350 P CB 0.874 32.506 31.700 -0.113 0.000 0.979 351 G N 1.761 110.474 108.800 -0.145 0.000 2.658 351 G HA2 0.002 3.963 3.960 0.001 0.000 0.217 351 G HA3 0.002 3.963 3.960 0.001 0.000 0.217 351 G C -0.183 174.671 174.900 -0.076 0.000 1.319 351 G CA 0.144 45.195 45.100 -0.082 0.000 0.885 351 G HN 0.449 nan 8.290 nan 0.000 0.553 352 D N 2.553 122.906 120.400 -0.079 0.000 2.312 352 D HA 0.297 4.938 4.640 0.001 0.000 0.252 352 D C -2.034 174.214 176.300 -0.086 0.000 1.150 352 D CA -1.069 52.892 54.000 -0.065 0.000 0.870 352 D CB 1.330 42.104 40.800 -0.044 0.000 1.153 352 D HN 0.100 nan 8.370 nan 0.000 0.457 353 P HA 0.075 nan 4.420 nan 0.000 0.266 353 P C -2.469 174.828 177.300 -0.005 0.000 1.195 353 P CA -0.904 62.184 63.100 -0.020 0.000 0.768 353 P CB -0.260 31.438 31.700 -0.004 0.000 0.838 354 P HA 0.233 nan 4.420 nan 0.000 0.275 354 P C -0.368 176.918 177.300 -0.023 0.000 1.228 354 P CA 0.022 63.153 63.100 0.052 0.000 0.786 354 P CB 0.980 32.730 31.700 0.083 0.000 0.927 355 R N 2.636 123.142 120.500 0.010 0.000 2.534 355 R HA 0.471 4.812 4.340 0.001 0.000 0.301 355 R C -2.509 173.785 176.300 -0.010 0.000 0.961 355 R CA -2.201 53.893 56.100 -0.009 0.000 0.871 355 R CB 1.378 31.685 30.300 0.012 0.000 1.170 355 R HN 0.324 nan 8.270 nan 0.000 0.446 356 P HA 0.042 nan 4.420 nan 0.000 0.271 356 P C -1.042 176.109 177.300 -0.249 0.000 1.226 356 P CA 0.109 63.114 63.100 -0.159 0.000 0.765 356 P CB 0.619 32.239 31.700 -0.133 0.000 0.835 357 E N 1.909 121.927 120.200 -0.303 0.000 2.199 357 E HA 0.298 4.649 4.350 0.001 0.000 0.269 357 E C -0.633 175.813 176.600 -0.256 0.000 0.899 357 E CA -0.410 55.877 56.400 -0.188 0.000 0.772 357 E CB 1.215 30.901 29.700 -0.023 0.000 1.155 357 E HN 0.440 nan 8.360 nan 0.000 0.408 358 Y N 0.101 120.556 120.300 0.259 0.000 2.612 358 Y HA 0.216 4.767 4.550 0.001 0.000 0.250 358 Y C -0.347 175.828 175.900 0.458 0.000 1.175 358 Y CA -0.426 57.888 58.100 0.357 0.000 1.205 358 Y CB 1.009 39.576 38.460 0.178 0.000 1.201 358 Y HN 0.308 nan 8.280 nan 0.000 0.532 359 D N 0.558 121.150 120.400 0.320 0.000 2.502 359 D HA 0.126 4.767 4.640 0.001 0.000 0.249 359 D C 0.760 176.817 176.300 -0.405 0.000 1.092 359 D CA -0.350 53.696 54.000 0.077 0.000 0.839 359 D CB 2.914 43.755 40.800 0.068 0.000 1.264 359 D HN 0.042 nan 8.370 nan 0.000 0.511 360 L N 3.432 124.127 121.223 -0.881 0.000 2.043 360 L HA -0.206 4.135 4.340 0.001 0.000 0.212 360 L C 2.072 178.587 176.870 -0.591 0.000 1.075 360 L CA 2.062 56.136 54.840 -1.277 0.000 0.752 360 L CB -0.604 40.648 42.059 -1.345 0.000 0.891 360 L HN 0.528 nan 8.230 nan 0.000 0.432 361 E N -1.187 118.815 120.200 -0.330 0.000 2.409 361 E HA -0.186 4.165 4.350 0.001 0.000 0.198 361 E C 1.885 178.398 176.600 -0.145 0.000 1.024 361 E CA 0.972 57.262 56.400 -0.184 0.000 0.861 361 E CB -0.473 29.186 29.700 -0.068 0.000 0.788 361 E HN 0.600 nan 8.360 nan 0.000 0.521 362 L N 0.769 121.893 121.223 -0.164 0.000 2.446 362 L HA 0.115 4.455 4.340 0.001 0.000 0.219 362 L C 0.735 177.531 176.870 -0.122 0.000 1.116 362 L CA -0.232 54.542 54.840 -0.111 0.000 0.844 362 L CB -0.029 41.989 42.059 -0.070 0.000 0.970 362 L HN 0.202 nan 8.230 nan 0.000 0.457 363 I N 1.859 122.313 120.570 -0.194 0.000 2.505 363 I HA -0.002 4.169 4.170 0.001 0.000 0.287 363 I C 0.655 176.701 176.117 -0.118 0.000 1.104 363 I CA 0.661 61.865 61.300 -0.160 0.000 1.387 363 I CB 0.229 38.092 38.000 -0.228 0.000 1.404 363 I HN 0.119 nan 8.210 nan 0.000 0.528 364 T N 2.223 116.733 114.554 -0.074 0.000 2.779 364 T HA 0.409 4.759 4.350 0.001 0.000 0.280 364 T C -0.087 174.585 174.700 -0.045 0.000 0.987 364 T CA -0.724 61.345 62.100 -0.051 0.000 0.966 364 T CB 1.598 70.447 68.868 -0.032 0.000 0.933 364 T HN 0.491 nan 8.240 nan 0.000 0.442 365 S N 2.561 118.233 115.700 -0.047 0.000 2.474 365 S HA 0.410 4.880 4.470 0.001 0.000 0.321 365 S C 0.619 175.188 174.600 -0.052 0.000 1.080 365 S CA -0.593 57.571 58.200 -0.060 0.000 1.106 365 S CB -0.783 62.370 63.200 -0.079 0.000 0.984 365 S HN 1.135 nan 8.310 nan 0.000 0.464 366 C N 3.956 123.226 119.300 -0.051 0.000 4.235 366 C HA -0.173 4.287 4.460 0.001 0.000 0.301 366 C C 1.298 176.307 174.990 0.032 0.000 1.409 366 C CA 0.673 59.677 59.018 -0.023 0.000 2.024 366 C CB -3.261 24.430 27.740 -0.081 0.000 1.286 366 C HN 1.247 nan 8.230 nan 0.000 0.746 367 S N -2.732 112.982 115.700 0.025 0.000 2.929 367 S HA -0.198 4.273 4.470 0.001 0.000 0.271 367 S C 0.342 174.963 174.600 0.036 0.000 1.295 367 S CA 1.373 59.591 58.200 0.030 0.000 1.277 367 S CB -0.903 62.326 63.200 0.049 0.000 1.557 367 S HN 0.987 nan 8.310 nan 0.000 0.666 368 S N 2.657 118.392 115.700 0.058 0.000 2.608 368 S HA 0.703 5.173 4.470 0.001 0.000 0.291 368 S C -0.014 174.601 174.600 0.025 0.000 1.146 368 S CA -0.745 57.512 58.200 0.095 0.000 1.043 368 S CB 1.287 64.601 63.200 0.189 0.000 1.037 368 S HN 0.630 nan 8.310 nan 0.000 0.520 369 N N -0.379 118.332 118.700 0.018 0.000 2.525 369 N HA 0.406 5.146 4.740 0.001 0.000 0.270 369 N C -1.569 173.897 175.510 -0.074 0.000 1.321 369 N CA -0.645 52.376 53.050 -0.050 0.000 0.797 369 N CB 1.039 39.486 38.487 -0.067 0.000 1.529 369 N HN 0.296 nan 8.380 nan 0.000 0.491 370 V N 0.513 120.350 119.914 -0.128 0.000 2.583 370 V HA 0.441 4.561 4.120 0.001 0.000 0.287 370 V C 0.472 176.453 176.094 -0.188 0.000 1.051 370 V CA -0.084 62.121 62.300 -0.159 0.000 1.010 370 V CB 0.855 32.584 31.823 -0.156 0.000 0.988 370 V HN 0.846 nan 8.190 nan 0.000 0.478 371 S N 3.012 118.505 115.700 -0.346 0.000 2.697 371 S HA 0.828 5.298 4.470 0.001 0.000 0.289 371 S C -1.394 172.970 174.600 -0.393 0.000 1.149 371 S CA -0.497 57.495 58.200 -0.347 0.000 0.850 371 S CB 2.093 65.062 63.200 -0.385 0.000 1.151 371 S HN 0.657 nan 8.310 nan 0.000 0.491 372 V N 1.049 120.841 119.914 -0.203 0.000 2.841 372 V HA 0.963 5.084 4.120 0.001 0.000 0.310 372 V C -0.353 175.696 176.094 -0.074 0.000 1.090 372 V CA 0.302 62.464 62.300 -0.231 0.000 0.930 372 V CB 1.306 32.867 31.823 -0.436 0.000 1.014 372 V HN 1.339 nan 8.190 nan 0.000 0.425 373 A N 5.378 128.102 122.820 -0.160 0.000 2.525 373 A HA 0.912 5.233 4.320 0.001 0.000 0.291 373 A C -1.713 175.616 177.584 -0.426 0.000 1.268 373 A CA -0.815 51.000 52.037 -0.369 0.000 0.712 373 A CB 1.445 20.013 19.000 -0.721 0.000 1.320 373 A HN 0.815 nan 8.150 nan 0.000 0.456 374 L N 0.770 121.648 121.223 -0.575 0.000 2.317 374 L HA 0.605 4.945 4.340 0.001 0.000 0.281 374 L C 0.932 177.490 176.870 -0.520 0.000 1.024 374 L CA -0.693 53.813 54.840 -0.557 0.000 0.810 374 L CB 1.684 43.334 42.059 -0.682 0.000 1.240 374 L HN 0.929 nan 8.230 nan 0.000 0.427 375 G N 1.551 110.200 108.800 -0.253 0.000 2.557 375 G HA2 0.324 4.285 3.960 0.001 0.000 0.292 375 G HA3 0.324 4.285 3.960 0.001 0.000 0.292 375 G C -1.725 173.220 174.900 0.074 0.000 1.237 375 G CA -0.896 44.148 45.100 -0.093 0.000 0.978 375 G HN 0.483 nan 8.290 nan 0.000 0.498 376 P HA -0.057 nan 4.420 nan 0.000 0.221 376 P C 0.884 178.229 177.300 0.073 0.000 1.145 376 P CA 0.905 64.066 63.100 0.101 0.000 0.795 376 P CB 0.269 32.000 31.700 0.052 0.000 0.775 377 R N -1.119 119.411 120.500 0.050 0.000 2.586 377 R HA 0.428 4.768 4.340 0.001 0.000 0.336 377 R C 1.295 177.612 176.300 0.029 0.000 1.060 377 R CA 0.569 56.689 56.100 0.033 0.000 1.079 377 R CB -0.499 29.812 30.300 0.019 0.000 1.317 377 R HN 0.127 nan 8.270 nan 0.000 0.568 378 G N 0.475 109.301 108.800 0.044 0.000 2.179 378 G HA2 -0.298 3.662 3.960 0.001 0.000 0.260 378 G HA3 -0.298 3.662 3.960 0.001 0.000 0.260 378 G C 0.058 174.936 174.900 -0.037 0.000 0.977 378 G CA -0.304 44.803 45.100 0.013 0.000 0.641 378 G HN 0.143 nan 8.290 nan 0.000 0.533 379 R N 0.503 120.978 120.500 -0.041 0.000 2.543 379 R HA 0.324 4.665 4.340 0.001 0.000 0.277 379 R C 0.930 177.160 176.300 -0.118 0.000 1.074 379 R CA -0.461 55.605 56.100 -0.056 0.000 1.076 379 R CB 0.373 30.654 30.300 -0.031 0.000 0.993 379 R HN 0.381 nan 8.270 nan 0.000 0.459 380 R N 2.269 122.688 120.500 -0.136 0.000 2.522 380 R HA 0.068 4.409 4.340 0.001 0.000 0.284 380 R C 0.088 176.232 176.300 -0.260 0.000 1.032 380 R CA 0.304 56.255 56.100 -0.248 0.000 1.049 380 R CB 0.486 30.625 30.300 -0.268 0.000 0.956 380 R HN 0.150 nan 8.270 nan 0.000 0.422 381 R N 3.233 123.535 120.500 -0.330 0.000 2.513 381 R HA 0.241 4.582 4.340 0.001 0.000 0.301 381 R C -1.155 175.012 176.300 -0.222 0.000 0.968 381 R CA -0.924 55.058 56.100 -0.196 0.000 0.872 381 R CB 1.258 31.488 30.300 -0.116 0.000 1.177 381 R HN 0.495 nan 8.270 nan 0.000 0.444 382 Y N 2.917 123.245 120.300 0.047 0.000 2.320 382 Y HA 0.418 4.969 4.550 0.001 0.000 0.324 382 Y C 0.382 176.354 175.900 0.121 0.000 1.190 382 Y CA -0.249 57.866 58.100 0.025 0.000 1.215 382 Y CB 1.112 39.544 38.460 -0.046 0.000 1.221 382 Y HN 0.546 nan 8.280 nan 0.000 0.486 383 Y N 0.087 120.460 120.300 0.122 0.000 2.656 383 Y HA 0.650 5.201 4.550 0.001 0.000 0.334 383 Y C -2.299 173.672 175.900 0.117 0.000 1.179 383 Y CA -1.785 56.367 58.100 0.088 0.000 1.050 383 Y CB 0.742 39.220 38.460 0.029 0.000 1.308 383 Y HN 0.476 nan 8.280 nan 0.000 0.456 384 L N 2.071 123.420 121.223 0.210 0.000 2.307 384 L HA 0.799 5.139 4.340 0.001 0.000 0.282 384 L C -0.074 177.051 176.870 0.425 0.000 1.051 384 L CA 0.380 55.336 54.840 0.192 0.000 0.804 384 L CB 1.574 43.754 42.059 0.202 0.000 1.197 384 L HN 1.014 nan 8.230 nan 0.000 0.431 385 T N 4.062 118.801 114.554 0.308 0.000 2.778 385 T HA 0.853 5.204 4.350 0.001 0.000 0.293 385 T C -1.250 173.527 174.700 0.128 0.000 1.144 385 T CA -0.566 61.741 62.100 0.345 0.000 1.010 385 T CB 1.167 70.252 68.868 0.361 0.000 1.325 385 T HN 0.868 nan 8.240 nan 0.000 0.515 386 R N 0.409 120.908 120.500 -0.002 0.000 2.741 386 R HA 0.509 4.849 4.340 0.001 0.000 0.274 386 R C -1.586 174.523 176.300 -0.318 0.000 1.029 386 R CA -1.011 54.995 56.100 -0.156 0.000 0.880 386 R CB 0.298 30.458 30.300 -0.233 0.000 1.264 386 R HN 0.490 nan 8.270 nan 0.000 0.465 387 D N 1.515 121.736 120.400 -0.298 0.000 2.417 387 D HA 0.076 4.717 4.640 0.001 0.000 0.250 387 D C -1.363 174.555 176.300 -0.636 0.000 1.166 387 D CA -1.521 52.252 54.000 -0.379 0.000 0.881 387 D CB 1.345 42.016 40.800 -0.215 0.000 1.164 387 D HN 0.349 nan 8.370 nan 0.000 0.467 388 P HA -0.014 nan 4.420 nan 0.000 0.245 388 P C 1.125 178.128 177.300 -0.496 0.000 1.212 388 P CA 0.236 62.665 63.100 -1.119 0.000 0.774 388 P CB 0.303 31.278 31.700 -1.210 0.000 0.999 389 T N -0.068 114.302 114.554 -0.307 0.000 2.635 389 T HA -0.143 4.208 4.350 0.001 0.000 0.267 389 T C 1.790 176.440 174.700 -0.083 0.000 1.040 389 T CA 2.435 64.451 62.100 -0.140 0.000 1.156 389 T CB -1.154 67.672 68.868 -0.071 0.000 0.863 389 T HN 0.205 nan 8.240 nan 0.000 0.430 390 T N 2.114 116.624 114.554 -0.074 0.000 2.770 390 T HA -0.025 4.326 4.350 0.001 0.000 0.263 390 T C -0.548 174.135 174.700 -0.029 0.000 1.039 390 T CA 1.028 63.113 62.100 -0.025 0.000 1.142 390 T CB -1.221 67.667 68.868 0.034 0.000 0.868 390 T HN 0.319 nan 8.240 nan 0.000 0.435 391 P HA -0.062 nan 4.420 nan 0.000 0.216 391 P C 1.509 178.877 177.300 0.113 0.000 1.154 391 P CA 1.048 64.196 63.100 0.080 0.000 0.865 391 P CB -0.201 31.552 31.700 0.088 0.000 0.789 392 L N -1.454 119.785 121.223 0.026 0.000 2.056 392 L HA -0.135 4.205 4.340 0.001 0.000 0.207 392 L C 2.505 179.418 176.870 0.072 0.000 1.078 392 L CA 1.508 56.374 54.840 0.043 0.000 0.749 392 L CB -1.175 40.867 42.059 -0.029 0.000 0.901 392 L HN -0.054 nan 8.230 nan 0.000 0.433 393 A N 0.238 123.092 122.820 0.057 0.000 1.902 393 A HA -0.208 4.113 4.320 0.001 0.000 0.217 393 A C 2.380 180.043 177.584 0.131 0.000 1.181 393 A CA 1.533 53.622 52.037 0.087 0.000 0.623 393 A CB -0.441 18.585 19.000 0.044 0.000 0.818 393 A HN 0.331 nan 8.150 nan 0.000 0.443 394 R N -0.632 119.923 120.500 0.093 0.000 2.073 394 R HA 0.011 4.351 4.340 0.001 0.000 0.229 394 R C 2.529 179.009 176.300 0.300 0.000 1.120 394 R CA 1.026 57.206 56.100 0.133 0.000 0.967 394 R CB -0.490 29.836 30.300 0.043 0.000 0.862 394 R HN 0.496 nan 8.270 nan 0.000 0.436 395 A N 1.657 124.674 122.820 0.329 0.000 1.892 395 A HA -0.223 4.097 4.320 0.001 0.000 0.218 395 A C 2.412 180.212 177.584 0.360 0.000 1.188 395 A CA 2.009 54.337 52.037 0.485 0.000 0.631 395 A CB -0.810 18.465 19.000 0.459 0.000 0.822 395 A HN 0.414 nan 8.150 nan 0.000 0.447 396 A N -1.487 121.455 122.820 0.203 0.000 1.858 396 A HA -0.206 4.115 4.320 0.001 0.000 0.216 396 A C 2.136 179.852 177.584 0.221 0.000 1.190 396 A CA 1.522 53.643 52.037 0.141 0.000 0.617 396 A CB -0.967 18.103 19.000 0.117 0.000 0.827 396 A HN 0.845 nan 8.150 nan 0.000 0.443 397 W N 0.995 122.359 121.300 0.105 0.000 2.335 397 W HA -0.154 4.507 4.660 0.001 0.000 0.311 397 W C 1.629 178.232 176.519 0.141 0.000 1.213 397 W CA 1.993 59.398 57.345 0.099 0.000 1.274 397 W CB -0.328 29.169 29.460 0.062 0.000 1.148 397 W HN 0.553 nan 8.180 nan 0.000 0.498 398 E N -0.844 119.663 120.200 0.511 0.000 2.478 398 E HA -0.104 4.247 4.350 0.001 0.000 0.198 398 E C 1.909 178.752 176.600 0.405 0.000 1.046 398 E CA 1.228 57.911 56.400 0.472 0.000 0.870 398 E CB -0.024 30.002 29.700 0.543 0.000 0.818 398 E HN 0.108 nan 8.360 nan 0.000 0.527 399 T N 0.015 114.761 114.554 0.320 0.000 2.896 399 T HA -0.077 4.274 4.350 0.001 0.000 0.263 399 T C 1.895 176.663 174.700 0.113 0.000 1.050 399 T CA 0.751 62.975 62.100 0.207 0.000 1.140 399 T CB 0.149 69.113 68.868 0.160 0.000 0.877 399 T HN 0.066 nan 8.240 nan 0.000 0.457 400 V N 0.325 120.264 119.914 0.043 0.000 3.125 400 V HA 0.283 4.403 4.120 0.001 0.000 0.249 400 V C 0.074 176.138 176.094 -0.050 0.000 1.113 400 V CA 0.395 62.670 62.300 -0.041 0.000 1.106 400 V CB 0.036 31.783 31.823 -0.126 0.000 0.768 400 V HN 0.133 nan 8.190 nan 0.000 0.468 401 R N 1.342 121.812 120.500 -0.050 0.000 2.337 401 R HA 0.312 4.653 4.340 0.001 0.000 0.319 401 R C -0.919 175.501 176.300 0.200 0.000 0.954 401 R CA -0.587 55.534 56.100 0.035 0.000 0.840 401 R CB 0.745 31.016 30.300 -0.048 0.000 1.164 401 R HN 0.546 nan 8.270 nan 0.000 0.472 402 H N 0.814 119.957 119.070 0.121 0.000 2.975 402 H HA 0.130 4.687 4.556 0.001 0.000 0.303 402 H C -0.555 174.864 175.328 0.152 0.000 1.023 402 H CA 0.675 56.815 56.048 0.154 0.000 1.473 402 H CB 0.621 30.452 29.762 0.114 0.000 1.498 402 H HN 0.304 nan 8.280 nan 0.000 0.549 403 S N 6.467 121.962 115.700 -0.341 0.000 2.480 403 S HA 0.154 4.625 4.470 0.001 0.000 0.286 403 S C -1.472 172.814 174.600 -0.524 0.000 1.180 403 S CA -1.146 56.889 58.200 -0.276 0.000 1.075 403 S CB 1.552 64.727 63.200 -0.041 0.000 0.996 403 S HN 0.728 nan 8.310 nan 0.000 0.487 404 P HA 0.023 nan 4.420 nan 0.000 0.215 404 P C -0.196 177.048 177.300 -0.094 0.000 1.153 404 P CA 1.045 63.984 63.100 -0.269 0.000 0.853 404 P CB 0.132 31.601 31.700 -0.386 0.000 0.788 405 I N 0.099 120.625 120.570 -0.072 0.000 2.420 405 I HA 0.214 4.384 4.170 0.001 0.000 0.282 405 I C 0.234 176.333 176.117 -0.030 0.000 1.019 405 I CA -1.650 59.642 61.300 -0.013 0.000 1.130 405 I CB 0.558 38.555 38.000 -0.004 0.000 1.262 405 I HN -0.023 nan 8.210 nan 0.000 0.454 406 N N 3.546 122.221 118.700 -0.043 0.000 2.476 406 N HA 0.391 5.132 4.740 0.001 0.000 0.287 406 N C 0.703 176.178 175.510 -0.059 0.000 1.262 406 N CA -0.224 52.782 53.050 -0.074 0.000 0.980 406 N CB 0.882 39.237 38.487 -0.220 0.000 1.163 406 N HN 0.406 nan 8.380 nan 0.000 0.592 407 S N -2.580 113.090 115.700 -0.050 0.000 2.670 407 S HA 0.021 4.492 4.470 0.001 0.000 0.241 407 S C 1.499 176.100 174.600 0.003 0.000 1.077 407 S CA -0.429 57.788 58.200 0.029 0.000 0.899 407 S CB -0.745 62.505 63.200 0.083 0.000 0.835 407 S HN 0.779 nan 8.310 nan 0.000 0.481 408 W N 1.876 123.133 121.300 -0.071 0.000 2.363 408 W HA 0.039 4.700 4.660 0.001 0.000 0.296 408 W C 1.472 177.841 176.519 -0.250 0.000 1.212 408 W CA 0.437 57.676 57.345 -0.177 0.000 1.260 408 W CB -0.875 28.251 29.460 -0.557 0.000 1.131 408 W HN 0.367 nan 8.180 nan 0.000 0.530 409 L N 2.825 123.445 121.223 -1.004 0.000 2.109 409 L HA 0.206 4.547 4.340 0.001 0.000 0.207 409 L C 2.613 178.983 176.870 -0.834 0.000 1.086 409 L CA 2.544 56.737 54.840 -1.079 0.000 0.760 409 L CB -1.305 39.772 42.059 -1.637 0.000 0.910 409 L HN 0.029 nan 8.230 nan 0.000 0.437 410 G N -0.659 107.779 108.800 -0.605 0.000 2.418 410 G HA2 -0.324 3.637 3.960 0.001 0.000 0.217 410 G HA3 -0.324 3.637 3.960 0.001 0.000 0.217 410 G C 1.387 176.299 174.900 0.021 0.000 1.158 410 G CA 1.068 46.090 45.100 -0.130 0.000 0.771 410 G HN 0.551 nan 8.290 nan 0.000 0.545 411 N N 0.193 118.964 118.700 0.119 0.000 2.106 411 N HA -0.011 4.730 4.740 0.001 0.000 0.188 411 N C 2.167 177.789 175.510 0.186 0.000 1.029 411 N CA 0.841 54.081 53.050 0.317 0.000 0.848 411 N CB -0.152 38.611 38.487 0.461 0.000 1.007 411 N HN 0.277 nan 8.380 nan 0.000 0.423 412 I N 0.942 121.568 120.570 0.094 0.000 2.151 412 I HA -0.311 3.860 4.170 0.001 0.000 0.243 412 I C 1.914 178.035 176.117 0.007 0.000 1.080 412 I CA 1.308 62.637 61.300 0.049 0.000 1.339 412 I CB -0.300 37.773 38.000 0.121 0.000 1.039 412 I HN 0.185 nan 8.210 nan 0.000 0.409 413 I N -0.097 120.461 120.570 -0.021 0.000 2.193 413 I HA -0.283 3.888 4.170 0.001 0.000 0.240 413 I C 2.635 178.844 176.117 0.154 0.000 1.084 413 I CA 1.345 62.682 61.300 0.061 0.000 1.365 413 I CB -0.395 37.614 38.000 0.015 0.000 1.064 413 I HN 0.246 nan 8.210 nan 0.000 0.410 414 Q N -0.207 119.618 119.800 0.042 0.000 2.124 414 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 414 Q C 0.753 176.578 176.000 -0.292 0.000 0.977 414 Q CA 1.568 57.301 55.803 -0.117 0.000 0.850 414 Q CB 0.121 28.627 28.738 -0.387 0.000 0.901 414 Q HN 0.521 nan 8.270 nan 0.000 0.429 415 Y N -1.628 118.673 120.300 0.001 0.000 2.720 415 Y HA 0.362 4.912 4.550 0.001 0.000 0.277 415 Y C 1.198 176.841 175.900 -0.429 0.000 1.144 415 Y CA -0.217 57.766 58.100 -0.196 0.000 1.221 415 Y CB -0.097 38.182 38.460 -0.302 0.000 1.163 415 Y HN 0.063 nan 8.280 nan 0.000 0.537 416 A N 1.396 124.010 122.820 -0.343 0.000 1.948 416 A HA -0.149 4.172 4.320 0.001 0.000 0.220 416 A C -0.312 177.002 177.584 -0.451 0.000 1.177 416 A CA 1.620 53.426 52.037 -0.385 0.000 0.636 416 A CB -1.392 17.406 19.000 -0.336 0.000 0.815 416 A HN 0.243 nan 8.150 nan 0.000 0.449 417 P HA 0.035 nan 4.420 nan 0.000 0.245 417 P C 0.456 177.464 177.300 -0.486 0.000 1.212 417 P CA 1.004 63.812 63.100 -0.486 0.000 0.774 417 P CB -0.745 30.656 31.700 -0.499 0.000 0.999 418 T N -2.941 111.345 114.554 -0.447 0.000 2.899 418 T HA 0.225 4.576 4.350 0.001 0.000 0.295 418 T C 1.278 175.629 174.700 -0.583 0.000 1.033 418 T CA -0.689 61.148 62.100 -0.438 0.000 1.084 418 T CB 0.909 69.394 68.868 -0.638 0.000 0.979 418 T HN -0.129 nan 8.240 nan 0.000 0.532 419 I N 1.777 121.912 120.570 -0.725 0.000 2.394 419 I HA -0.049 4.122 4.170 0.001 0.000 0.251 419 I C 2.040 177.862 176.117 -0.492 0.000 1.136 419 I CA 1.094 61.885 61.300 -0.849 0.000 1.425 419 I CB -0.119 37.148 38.000 -1.221 0.000 1.079 419 I HN 0.876 nan 8.210 nan 0.000 0.425 420 W N -0.207 120.881 121.300 -0.354 0.000 2.476 420 W HA -0.019 4.642 4.660 0.001 0.000 0.281 420 W C 1.853 178.233 176.519 -0.230 0.000 1.230 420 W CA 0.472 57.646 57.345 -0.286 0.000 1.287 420 W CB -1.537 27.793 29.460 -0.217 0.000 1.108 420 W HN -0.072 nan 8.180 nan 0.000 0.567 421 V N 2.469 121.973 119.914 -0.684 0.000 2.270 421 V HA -0.258 3.863 4.120 0.001 0.000 0.245 421 V C 2.890 178.838 176.094 -0.244 0.000 1.043 421 V CA 2.289 64.317 62.300 -0.453 0.000 1.014 421 V CB -0.759 30.704 31.823 -0.600 0.000 0.645 421 V HN 0.046 nan 8.190 nan 0.000 0.447 422 R N -0.684 119.598 120.500 -0.363 0.000 2.073 422 R HA -0.109 4.232 4.340 0.001 0.000 0.234 422 R C 2.265 178.367 176.300 -0.330 0.000 1.134 422 R CA 1.729 57.620 56.100 -0.347 0.000 0.952 422 R CB -0.297 29.654 30.300 -0.582 0.000 0.850 422 R HN 0.438 nan 8.270 nan 0.000 0.433 423 M N -0.627 118.660 119.600 -0.522 0.000 2.357 423 M HA -0.043 4.438 4.480 0.001 0.000 0.266 423 M C 1.891 178.129 176.300 -0.104 0.000 1.095 423 M CA 0.993 56.055 55.300 -0.398 0.000 1.156 423 M CB 0.477 32.768 32.600 -0.516 0.000 1.365 423 M HN -0.011 nan 8.290 nan 0.000 0.447 424 V N -0.784 118.912 119.914 -0.364 0.000 2.599 424 V HA -0.047 4.074 4.120 0.001 0.000 0.237 424 V C 2.003 177.879 176.094 -0.364 0.000 1.081 424 V CA 0.561 62.347 62.300 -0.856 0.000 1.107 424 V CB -0.417 30.839 31.823 -0.945 0.000 0.808 424 V HN 0.217 nan 8.190 nan 0.000 0.486 425 L N -0.391 120.798 121.223 -0.056 0.000 2.027 425 L HA -0.035 4.305 4.340 0.001 0.000 0.206 425 L C 2.361 179.472 176.870 0.402 0.000 1.074 425 L CA 2.038 57.014 54.840 0.226 0.000 0.745 425 L CB -0.805 41.436 42.059 0.303 0.000 0.898 425 L HN 0.239 nan 8.230 nan 0.000 0.433 426 M N -1.616 118.206 119.600 0.371 0.000 2.080 426 M HA -0.224 4.256 4.480 0.001 0.000 0.260 426 M C 2.090 178.898 176.300 0.847 0.000 1.068 426 M CA 2.135 57.791 55.300 0.594 0.000 1.109 426 M CB -0.682 32.118 32.600 0.335 0.000 1.342 426 M HN 0.236 nan 8.290 nan 0.000 0.405 427 T N -1.244 113.770 114.554 0.765 0.000 2.652 427 T HA -0.248 4.103 4.350 0.001 0.000 0.267 427 T C 1.643 176.624 174.700 0.468 0.000 1.039 427 T CA 2.052 64.556 62.100 0.675 0.000 1.153 427 T CB -0.595 68.700 68.868 0.711 0.000 0.863 427 T HN 0.491 nan 8.240 nan 0.000 0.428 428 H N 0.302 119.540 119.070 0.281 0.000 2.293 428 H HA -0.018 4.539 4.556 0.001 0.000 0.300 428 H C 1.843 177.056 175.328 -0.191 0.000 1.082 428 H CA 1.615 57.694 56.048 0.051 0.000 1.308 428 H CB -0.497 29.171 29.762 -0.156 0.000 1.375 428 H HN 0.338 nan 8.280 nan 0.000 0.495 429 F N -0.869 119.040 119.950 -0.069 0.000 2.206 429 F HA -0.027 4.501 4.527 0.001 0.000 0.298 429 F C 2.011 177.634 175.800 -0.296 0.000 1.090 429 F CA 0.756 58.510 58.000 -0.410 0.000 1.323 429 F CB -0.600 37.933 39.000 -0.778 0.000 1.028 429 F HN 0.150 nan 8.300 nan 0.000 0.492 430 F N -0.565 119.502 119.950 0.195 0.000 2.171 430 F HA -0.212 4.316 4.527 0.001 0.000 0.300 430 F C 2.753 178.574 175.800 0.035 0.000 1.090 430 F CA 1.530 59.632 58.000 0.170 0.000 1.293 430 F CB -1.016 38.166 39.000 0.304 0.000 1.013 430 F HN -0.079 nan 8.300 nan 0.000 0.486 431 S N 0.519 116.292 115.700 0.122 0.000 2.351 431 S HA -0.176 4.294 4.470 0.001 0.000 0.220 431 S C 2.194 176.737 174.600 -0.095 0.000 1.035 431 S CA 1.450 59.642 58.200 -0.013 0.000 1.031 431 S CB -0.405 62.768 63.200 -0.045 0.000 0.928 431 S HN 0.177 nan 8.310 nan 0.000 0.433 432 I N 1.906 122.331 120.570 -0.241 0.000 2.208 432 I HA -0.156 4.015 4.170 0.001 0.000 0.245 432 I C 2.347 178.404 176.117 -0.099 0.000 1.097 432 I CA 1.259 62.412 61.300 -0.244 0.000 1.363 432 I CB -1.527 36.209 38.000 -0.440 0.000 1.051 432 I HN 0.380 nan 8.210 nan 0.000 0.413 433 L N -0.581 120.604 121.223 -0.063 0.000 2.083 433 L HA -0.206 4.135 4.340 0.001 0.000 0.209 433 L C 2.670 179.556 176.870 0.027 0.000 1.083 433 L CA 1.245 56.085 54.840 0.000 0.000 0.752 433 L CB -0.416 41.635 42.059 -0.014 0.000 0.899 433 L HN 0.209 nan 8.230 nan 0.000 0.433 434 M N -1.160 118.461 119.600 0.036 0.000 2.200 434 M HA -0.149 4.331 4.480 0.001 0.000 0.265 434 M C 2.295 178.599 176.300 0.006 0.000 1.066 434 M CA 1.154 56.476 55.300 0.036 0.000 1.127 434 M CB -0.240 32.386 32.600 0.044 0.000 1.379 434 M HN 0.067 nan 8.290 nan 0.000 0.420 435 V N 0.387 120.291 119.914 -0.017 0.000 2.343 435 V HA -0.275 3.846 4.120 0.001 0.000 0.247 435 V C 2.024 178.108 176.094 -0.016 0.000 1.051 435 V CA 1.799 64.083 62.300 -0.026 0.000 1.036 435 V CB -0.688 31.105 31.823 -0.051 0.000 0.654 435 V HN 0.538 nan 8.190 nan 0.000 0.451 436 Q N -1.030 118.763 119.800 -0.012 0.000 2.432 436 Q HA -0.034 4.306 4.340 0.001 0.000 0.205 436 Q C 0.730 176.735 176.000 0.008 0.000 0.945 436 Q CA 0.522 56.323 55.803 -0.003 0.000 0.924 436 Q CB 0.084 28.825 28.738 0.005 0.000 1.016 436 Q HN 0.629 nan 8.270 nan 0.000 0.503 437 D N 0.508 120.917 120.400 0.016 0.000 2.689 437 D HA -0.141 4.500 4.640 0.001 0.000 0.237 437 D C -0.345 175.976 176.300 0.035 0.000 1.148 437 D CA 1.348 55.364 54.000 0.026 0.000 0.656 437 D CB -1.060 39.752 40.800 0.019 0.000 1.050 437 D HN 0.430 nan 8.370 nan 0.000 0.426 438 T N -3.165 111.415 114.554 0.044 0.000 3.339 438 T HA 0.323 4.674 4.350 0.001 0.000 0.292 438 T C 2.012 176.758 174.700 0.077 0.000 1.012 438 T CA -0.305 61.829 62.100 0.057 0.000 0.937 438 T CB -0.267 68.634 68.868 0.055 0.000 1.164 438 T HN 0.219 nan 8.240 nan 0.000 0.509 439 L N 0.697 121.969 121.223 0.082 0.000 2.013 439 L HA -0.024 4.317 4.340 0.001 0.000 0.212 439 L C 1.386 178.321 176.870 0.109 0.000 1.073 439 L CA 1.448 56.351 54.840 0.105 0.000 0.753 439 L CB -0.239 41.904 42.059 0.139 0.000 0.890 439 L HN 0.342 nan 8.230 nan 0.000 0.432 440 D N 0.498 120.955 120.400 0.094 0.000 2.631 440 D HA 0.129 4.770 4.640 0.001 0.000 0.227 440 D C -0.447 175.902 176.300 0.082 0.000 1.146 440 D CA 0.181 54.234 54.000 0.088 0.000 1.009 440 D CB 0.063 40.907 40.800 0.073 0.000 1.057 440 D HN 0.119 nan 8.370 nan 0.000 0.509 441 Q N 2.192 122.048 119.800 0.093 0.000 2.364 441 Q HA 0.190 4.531 4.340 0.001 0.000 0.251 441 Q C -1.355 174.712 176.000 0.112 0.000 0.927 441 Q CA -0.799 55.062 55.803 0.096 0.000 0.924 441 Q CB 0.676 29.470 28.738 0.094 0.000 1.419 441 Q HN 0.062 nan 8.270 nan 0.000 0.427 442 N N 2.960 121.729 118.700 0.115 0.000 2.454 442 N HA 0.264 5.005 4.740 0.001 0.000 0.260 442 N C -1.035 174.569 175.510 0.156 0.000 1.218 442 N CA 0.657 53.788 53.050 0.136 0.000 0.904 442 N CB 0.491 39.062 38.487 0.139 0.000 1.065 442 N HN 0.416 nan 8.380 nan 0.000 0.462 443 L N 1.846 123.168 121.223 0.165 0.000 2.362 443 L HA 0.444 4.785 4.340 0.001 0.000 0.271 443 L C -0.122 176.891 176.870 0.240 0.000 1.002 443 L CA -0.916 54.026 54.840 0.170 0.000 0.818 443 L CB 1.814 43.918 42.059 0.076 0.000 1.298 443 L HN 0.511 nan 8.230 nan 0.000 0.420 444 N N 2.030 120.858 118.700 0.214 0.000 2.498 444 N HA 0.661 5.401 4.740 0.001 0.000 0.287 444 N C -1.135 174.487 175.510 0.185 0.000 1.097 444 N CA -0.362 52.805 53.050 0.195 0.000 0.973 444 N CB 1.139 39.730 38.487 0.173 0.000 1.153 444 N HN 0.387 nan 8.380 nan 0.000 0.472 445 F N -1.515 118.412 119.950 -0.039 0.000 2.685 445 F HA 0.595 5.123 4.527 0.001 0.000 0.315 445 F C -0.721 175.067 175.800 -0.020 0.000 1.126 445 F CA -1.387 56.550 58.000 -0.105 0.000 0.950 445 F CB 1.285 40.144 39.000 -0.234 0.000 1.360 445 F HN 0.188 nan 8.300 nan 0.000 0.469 446 E N 1.844 122.104 120.200 0.100 0.000 2.191 446 E HA 0.590 4.941 4.350 0.001 0.000 0.278 446 E C -1.333 175.388 176.600 0.202 0.000 0.972 446 E CA -0.607 55.828 56.400 0.058 0.000 0.804 446 E CB 1.514 31.253 29.700 0.065 0.000 1.110 446 E HN 0.785 nan 8.360 nan 0.000 0.394 447 M N 4.561 124.265 119.600 0.174 0.000 2.277 447 M HA 0.235 4.715 4.480 0.001 0.000 0.282 447 M C -1.324 175.182 176.300 0.342 0.000 1.074 447 M CA -0.556 54.891 55.300 0.246 0.000 0.954 447 M CB 0.995 33.628 32.600 0.054 0.000 1.672 447 M HN 0.652 nan 8.290 nan 0.000 0.471 448 Y N 2.474 122.887 120.300 0.189 0.000 3.396 448 Y HA -0.196 4.355 4.550 0.001 0.000 0.214 448 Y C 1.168 177.107 175.900 0.066 0.000 1.203 448 Y CA 1.915 60.145 58.100 0.216 0.000 1.401 448 Y CB -2.440 36.202 38.460 0.304 0.000 1.409 448 Y HN 1.135 nan 8.280 nan 0.000 0.594 449 G N -1.255 107.660 108.800 0.191 0.000 2.184 449 G HA2 -0.212 3.749 3.960 0.001 0.000 0.264 449 G HA3 -0.212 3.749 3.960 0.001 0.000 0.264 449 G C 0.437 175.325 174.900 -0.020 0.000 0.975 449 G CA 1.007 46.142 45.100 0.059 0.000 0.642 449 G HN 1.422 nan 8.290 nan 0.000 0.536 450 S N -1.720 113.958 115.700 -0.037 0.000 2.806 450 S HA 0.853 5.324 4.470 0.001 0.000 0.315 450 S C -0.373 174.048 174.600 -0.298 0.000 1.127 450 S CA -0.263 57.829 58.200 -0.179 0.000 0.918 450 S CB 2.784 65.833 63.200 -0.252 0.000 1.240 450 S HN 1.047 nan 8.310 nan 0.000 0.552 451 V N 1.481 121.123 119.914 -0.453 0.000 2.513 451 V HA 0.589 4.710 4.120 0.001 0.000 0.299 451 V C -1.420 174.152 176.094 -0.870 0.000 1.035 451 V CA -0.487 61.557 62.300 -0.426 0.000 0.889 451 V CB 0.526 32.302 31.823 -0.078 0.000 0.988 451 V HN 0.878 nan 8.190 nan 0.000 0.440 452 Y N 1.166 120.985 120.300 -0.802 0.000 2.605 452 Y HA 0.677 5.227 4.550 0.001 0.000 0.343 452 Y C 0.235 175.709 175.900 -0.710 0.000 1.036 452 Y CA -0.748 56.757 58.100 -0.992 0.000 1.065 452 Y CB 2.390 40.000 38.460 -1.417 0.000 1.288 452 Y HN 0.541 nan 8.280 nan 0.000 0.481 453 S N 1.241 116.838 115.700 -0.171 0.000 2.647 453 S HA 0.827 5.298 4.470 0.001 0.000 0.300 453 S C -1.880 172.896 174.600 0.293 0.000 1.129 453 S CA -0.418 57.869 58.200 0.145 0.000 1.029 453 S CB 0.693 64.014 63.200 0.201 0.000 1.007 453 S HN 0.446 nan 8.310 nan 0.000 0.484 454 V N 4.824 124.970 119.914 0.387 0.000 2.841 454 V HA 0.491 4.611 4.120 0.001 0.000 0.310 454 V C -0.512 175.687 176.094 0.176 0.000 1.090 454 V CA -1.095 61.388 62.300 0.305 0.000 0.930 454 V CB 2.254 34.297 31.823 0.368 0.000 1.014 454 V HN 0.894 nan 8.190 nan 0.000 0.425 455 N N 4.938 123.720 118.700 0.135 0.000 2.430 455 N HA 0.297 5.037 4.740 0.001 0.000 0.265 455 N C -1.835 173.739 175.510 0.107 0.000 1.100 455 N CA -1.829 51.287 53.050 0.111 0.000 0.961 455 N CB 2.033 40.579 38.487 0.099 0.000 1.075 455 N HN 0.259 nan 8.380 nan 0.000 0.478 456 P HA -0.092 nan 4.420 nan 0.000 0.218 456 P C 1.276 178.730 177.300 0.256 0.000 1.146 456 P CA 0.992 64.170 63.100 0.130 0.000 0.813 456 P CB 0.294 32.011 31.700 0.029 0.000 0.778 457 L N -0.866 120.484 121.223 0.211 0.000 2.456 457 L HA -0.099 4.242 4.340 0.001 0.000 0.224 457 L C 1.138 178.086 176.870 0.131 0.000 1.148 457 L CA 1.089 56.053 54.840 0.205 0.000 0.825 457 L CB -0.585 41.564 42.059 0.149 0.000 0.937 457 L HN -0.015 nan 8.230 nan 0.000 0.450 458 D N -0.522 119.945 120.400 0.112 0.000 2.349 458 D HA 0.050 4.691 4.640 0.001 0.000 0.214 458 D C 2.187 178.529 176.300 0.070 0.000 1.063 458 D CA 0.188 54.225 54.000 0.061 0.000 0.847 458 D CB 0.439 41.265 40.800 0.043 0.000 0.933 458 D HN 0.285 nan 8.370 nan 0.000 0.513 459 L N 1.060 122.364 121.223 0.135 0.000 2.042 459 L HA -0.149 4.192 4.340 0.001 0.000 0.210 459 L C -0.447 176.509 176.870 0.143 0.000 1.076 459 L CA 1.561 56.497 54.840 0.160 0.000 0.749 459 L CB -1.498 40.721 42.059 0.267 0.000 0.893 459 L HN 0.036 nan 8.230 nan 0.000 0.432 460 P HA -0.207 nan 4.420 nan 0.000 0.215 460 P C 1.435 178.780 177.300 0.075 0.000 1.157 460 P CA 1.954 65.050 63.100 -0.008 0.000 0.874 460 P CB -0.022 31.477 31.700 -0.336 0.000 0.790 461 A N -1.138 121.668 122.820 -0.024 0.000 1.930 461 A HA -0.141 4.180 4.320 0.001 0.000 0.217 461 A C 2.213 179.799 177.584 0.004 0.000 1.175 461 A CA 1.294 53.318 52.037 -0.023 0.000 0.627 461 A CB -1.579 17.381 19.000 -0.067 0.000 0.815 461 A HN 0.105 nan 8.150 nan 0.000 0.443 462 I N -0.398 120.178 120.570 0.009 0.000 2.202 462 I HA -0.243 3.927 4.170 0.001 0.000 0.242 462 I C 2.283 178.428 176.117 0.048 0.000 1.091 462 I CA 1.296 62.580 61.300 -0.028 0.000 1.368 462 I CB -0.274 37.720 38.000 -0.011 0.000 1.058 462 I HN 0.285 nan 8.210 nan 0.000 0.410 463 I N 0.488 121.151 120.570 0.154 0.000 2.226 463 I HA -0.310 3.861 4.170 0.001 0.000 0.245 463 I C 2.630 178.815 176.117 0.113 0.000 1.100 463 I CA 1.539 62.965 61.300 0.209 0.000 1.374 463 I CB -0.388 37.755 38.000 0.239 0.000 1.057 463 I HN 0.301 nan 8.210 nan 0.000 0.413 464 E N 1.120 121.417 120.200 0.162 0.000 2.058 464 E HA -0.323 4.028 4.350 0.001 0.000 0.194 464 E C 2.308 178.925 176.600 0.028 0.000 0.997 464 E CA 1.400 57.862 56.400 0.104 0.000 0.801 464 E CB -0.005 29.832 29.700 0.228 0.000 0.746 464 E HN 0.160 nan 8.360 nan 0.000 0.450 465 R N 0.513 121.014 120.500 0.002 0.000 2.083 465 R HA -0.113 4.228 4.340 0.001 0.000 0.237 465 R C 2.301 178.558 176.300 -0.071 0.000 1.137 465 R CA 1.691 57.762 56.100 -0.049 0.000 0.951 465 R CB -0.515 29.723 30.300 -0.103 0.000 0.851 465 R HN 0.306 nan 8.270 nan 0.000 0.434 466 L N -1.604 119.555 121.223 -0.106 0.000 2.162 466 L HA -0.047 4.294 4.340 0.001 0.000 0.205 466 L C 1.788 178.436 176.870 -0.371 0.000 1.086 466 L CA 0.968 55.665 54.840 -0.239 0.000 0.778 466 L CB -0.281 41.576 42.059 -0.337 0.000 0.928 466 L HN 0.356 nan 8.230 nan 0.000 0.446 467 H N -0.954 118.088 119.070 -0.046 0.000 3.046 467 H HA 0.306 4.862 4.556 0.001 0.000 0.262 467 H C 0.905 176.167 175.328 -0.110 0.000 1.044 467 H CA 0.714 56.712 56.048 -0.083 0.000 1.209 467 H CB 0.931 30.611 29.762 -0.138 0.000 1.507 467 H HN 0.273 nan 8.280 nan 0.000 0.507 468 G N 1.130 109.924 108.800 -0.009 0.000 2.787 468 G HA2 -0.243 3.717 3.960 0.001 0.000 0.685 468 G HA3 -0.243 3.717 3.960 0.001 0.000 0.685 468 G C 0.753 175.590 174.900 -0.105 0.000 1.437 468 G CA -0.136 44.949 45.100 -0.026 0.000 0.872 468 G HN 0.257 nan 8.290 nan 0.000 0.566 469 L N 0.195 121.415 121.223 -0.006 0.000 2.261 469 L HA -0.112 4.229 4.340 0.001 0.000 0.216 469 L C 2.530 179.369 176.870 -0.052 0.000 1.114 469 L CA 1.829 56.708 54.840 0.064 0.000 0.777 469 L CB -0.365 41.807 42.059 0.187 0.000 0.910 469 L HN 0.640 nan 8.230 nan 0.000 0.440 470 D N 0.275 120.627 120.400 -0.079 0.000 2.182 470 D HA -0.187 4.453 4.640 0.001 0.000 0.201 470 D C 2.186 178.368 176.300 -0.197 0.000 0.986 470 D CA 1.341 55.285 54.000 -0.093 0.000 0.847 470 D CB 0.025 40.776 40.800 -0.082 0.000 0.942 470 D HN 0.335 nan 8.370 nan 0.000 0.467 471 A N -0.038 122.562 122.820 -0.366 0.000 2.076 471 A HA -0.169 4.152 4.320 0.001 0.000 0.220 471 A C 1.372 178.693 177.584 -0.438 0.000 1.160 471 A CA 0.932 52.672 52.037 -0.495 0.000 0.653 471 A CB -0.706 17.918 19.000 -0.627 0.000 0.801 471 A HN 0.192 nan 8.150 nan 0.000 0.455 472 F N -1.369 118.590 119.950 0.014 0.000 2.727 472 F HA 0.284 4.812 4.527 0.001 0.000 0.302 472 F C 1.680 177.509 175.800 0.049 0.000 1.097 472 F CA 0.290 58.315 58.000 0.042 0.000 1.330 472 F CB 0.125 39.164 39.000 0.065 0.000 1.084 472 F HN 0.069 nan 8.300 nan 0.000 0.578 473 S N -0.675 115.098 115.700 0.122 0.000 2.817 473 S HA 0.218 4.688 4.470 0.001 0.000 0.262 473 S C 0.434 175.098 174.600 0.107 0.000 1.051 473 S CA -0.340 57.931 58.200 0.118 0.000 1.185 473 S CB 0.027 63.285 63.200 0.097 0.000 1.152 473 S HN 0.068 nan 8.310 nan 0.000 0.653 474 M N 3.879 123.466 119.600 -0.022 0.000 2.250 474 M HA 0.149 4.630 4.480 0.001 0.000 0.337 474 M C 0.129 176.364 176.300 -0.108 0.000 1.161 474 M CA 0.914 56.097 55.300 -0.195 0.000 1.088 474 M CB 0.170 32.524 32.600 -0.409 0.000 1.639 474 M HN 0.450 nan 8.290 nan 0.000 0.447 475 H N 0.329 119.180 119.070 -0.364 0.000 2.948 475 H HA 0.349 4.906 4.556 0.001 0.000 0.315 475 H C -0.870 174.281 175.328 -0.296 0.000 1.360 475 H CA -0.451 55.468 56.048 -0.214 0.000 1.125 475 H CB 0.358 30.090 29.762 -0.049 0.000 1.844 475 H HN 0.567 nan 8.280 nan 0.000 0.529 476 T N 0.719 115.232 114.554 -0.068 0.000 3.782 476 T HA -0.220 4.131 4.350 0.001 0.000 0.383 476 T C -0.359 174.224 174.700 -0.196 0.000 0.762 476 T CA 0.796 62.826 62.100 -0.118 0.000 2.005 476 T CB -2.640 66.131 68.868 -0.161 0.000 1.765 476 T HN 0.459 nan 8.240 nan 0.000 0.774 477 Y N 1.540 121.775 120.300 -0.108 0.000 2.426 477 Y HA 0.322 4.873 4.550 0.001 0.000 0.344 477 Y C 1.526 177.361 175.900 -0.109 0.000 1.256 477 Y CA 0.253 58.311 58.100 -0.070 0.000 1.451 477 Y CB 0.533 38.976 38.460 -0.028 0.000 1.342 477 Y HN 0.525 nan 8.280 nan 0.000 0.600 478 S N 0.700 116.462 115.700 0.103 0.000 2.585 478 S HA 0.032 4.503 4.470 0.001 0.000 0.273 478 S C 0.840 175.440 174.600 0.000 0.000 1.339 478 S CA -0.645 57.541 58.200 -0.024 0.000 1.028 478 S CB 0.557 63.746 63.200 -0.018 0.000 0.906 478 S HN 0.731 nan 8.310 nan 0.000 0.528 479 H N 1.414 120.485 119.070 0.001 0.000 2.387 479 H HA -0.082 4.474 4.556 0.001 0.000 0.299 479 H C 1.903 177.307 175.328 0.127 0.000 1.090 479 H CA 2.400 58.473 56.048 0.043 0.000 1.332 479 H CB -0.541 29.227 29.762 0.011 0.000 1.386 479 H HN 0.865 nan 8.280 nan 0.000 0.516 480 H N -0.361 118.805 119.070 0.160 0.000 2.353 480 H HA -0.124 4.432 4.556 0.001 0.000 0.300 480 H C 2.373 177.745 175.328 0.073 0.000 1.090 480 H CA 0.983 57.085 56.048 0.089 0.000 1.327 480 H CB 0.458 30.253 29.762 0.055 0.000 1.383 480 H HN 0.269 nan 8.280 nan 0.000 0.508 481 E N 1.358 121.687 120.200 0.214 0.000 2.028 481 E HA -0.111 4.240 4.350 0.001 0.000 0.191 481 E C 2.190 178.864 176.600 0.122 0.000 0.988 481 E CA 0.769 57.267 56.400 0.164 0.000 0.799 481 E CB -0.307 29.525 29.700 0.221 0.000 0.755 481 E HN 0.377 nan 8.360 nan 0.000 0.447 482 L N 0.125 121.424 121.223 0.126 0.000 2.042 482 L HA -0.207 4.134 4.340 0.001 0.000 0.210 482 L C 2.534 179.459 176.870 0.091 0.000 1.076 482 L CA 1.796 56.690 54.840 0.089 0.000 0.749 482 L CB -0.796 41.328 42.059 0.108 0.000 0.893 482 L HN 0.225 nan 8.230 nan 0.000 0.432 483 T N -0.962 113.668 114.554 0.126 0.000 2.720 483 T HA -0.249 4.102 4.350 0.001 0.000 0.268 483 T C 2.010 176.738 174.700 0.047 0.000 1.037 483 T CA 1.537 63.694 62.100 0.094 0.000 1.144 483 T CB -0.199 68.736 68.868 0.112 0.000 0.864 483 T HN 0.267 nan 8.240 nan 0.000 0.444 484 R N 0.477 120.999 120.500 0.036 0.000 2.073 484 R HA -0.079 4.261 4.340 0.001 0.000 0.234 484 R C 2.346 178.615 176.300 -0.052 0.000 1.134 484 R CA 1.275 57.365 56.100 -0.016 0.000 0.952 484 R CB -0.563 29.720 30.300 -0.028 0.000 0.850 484 R HN 0.215 nan 8.270 nan 0.000 0.433 485 V N 1.128 121.016 119.914 -0.042 0.000 2.255 485 V HA -0.267 3.853 4.120 0.001 0.000 0.247 485 V C 2.501 178.578 176.094 -0.029 0.000 1.051 485 V CA 2.081 64.343 62.300 -0.064 0.000 1.018 485 V CB -0.897 30.917 31.823 -0.015 0.000 0.641 485 V HN 0.595 nan 8.190 nan 0.000 0.445 486 A N -0.477 122.349 122.820 0.009 0.000 1.940 486 A HA -0.257 4.064 4.320 0.001 0.000 0.219 486 A C 2.579 180.178 177.584 0.026 0.000 1.176 486 A CA 2.405 54.461 52.037 0.031 0.000 0.631 486 A CB -0.798 18.232 19.000 0.050 0.000 0.814 486 A HN 0.549 nan 8.150 nan 0.000 0.446 487 S N -0.326 115.382 115.700 0.013 0.000 2.368 487 S HA 0.012 4.483 4.470 0.001 0.000 0.224 487 S C 2.164 176.767 174.600 0.005 0.000 1.029 487 S CA 1.494 59.701 58.200 0.012 0.000 0.988 487 S CB -0.497 62.706 63.200 0.005 0.000 0.838 487 S HN 0.847 nan 8.310 nan 0.000 0.462 488 A N 1.740 124.544 122.820 -0.027 0.000 1.902 488 A HA 0.067 4.388 4.320 0.001 0.000 0.217 488 A C 2.262 179.840 177.584 -0.010 0.000 1.181 488 A CA 1.520 53.532 52.037 -0.041 0.000 0.623 488 A CB -0.896 18.033 19.000 -0.118 0.000 0.818 488 A HN 0.591 nan 8.150 nan 0.000 0.443 489 L N -1.100 120.123 121.223 -0.000 0.000 2.042 489 L HA -0.221 4.120 4.340 0.001 0.000 0.210 489 L C 2.888 179.782 176.870 0.040 0.000 1.076 489 L CA 1.625 56.486 54.840 0.036 0.000 0.749 489 L CB -0.525 41.580 42.059 0.076 0.000 0.893 489 L HN 0.366 nan 8.230 nan 0.000 0.432 490 R N 0.070 120.601 120.500 0.051 0.000 2.092 490 R HA -0.183 4.158 4.340 0.001 0.000 0.231 490 R C 2.334 178.710 176.300 0.127 0.000 1.119 490 R CA 1.283 57.428 56.100 0.074 0.000 0.970 490 R CB -0.247 30.097 30.300 0.073 0.000 0.864 490 R HN 0.287 nan 8.270 nan 0.000 0.440 491 K N 1.105 121.568 120.400 0.106 0.000 2.057 491 K HA -0.120 4.201 4.320 0.001 0.000 0.207 491 K C 1.740 178.482 176.600 0.236 0.000 1.049 491 K CA 1.255 57.629 56.287 0.144 0.000 0.931 491 K CB 0.010 32.557 32.500 0.079 0.000 0.714 491 K HN 0.119 nan 8.250 nan 0.000 0.440 492 L N -0.158 121.145 121.223 0.133 0.000 2.558 492 L HA 0.152 4.492 4.340 0.001 0.000 0.225 492 L C 0.802 177.586 176.870 -0.143 0.000 1.128 492 L CA 0.371 55.272 54.840 0.102 0.000 0.868 492 L CB 0.238 42.327 42.059 0.050 0.000 1.006 492 L HN 0.539 nan 8.230 nan 0.000 0.454 493 G N 0.822 109.401 108.800 -0.368 0.000 2.272 493 G HA2 -0.226 3.735 3.960 0.001 0.000 0.280 493 G HA3 -0.226 3.735 3.960 0.001 0.000 0.280 493 G C 0.224 174.892 174.900 -0.386 0.000 1.067 493 G CA 0.177 44.737 45.100 -0.900 0.000 0.902 493 G HN 0.486 nan 8.290 nan 0.000 0.500 494 A N -0.082 122.661 122.820 -0.127 0.000 2.279 494 A HA 0.890 5.211 4.320 0.001 0.000 0.303 494 A C -1.494 176.134 177.584 0.073 0.000 1.108 494 A CA -1.415 50.647 52.037 0.042 0.000 0.830 494 A CB 0.830 19.926 19.000 0.161 0.000 1.106 494 A HN 0.214 nan 8.150 nan 0.000 0.493 495 P HA 0.213 nan 4.420 nan 0.000 0.269 495 P C -2.412 174.968 177.300 0.133 0.000 1.215 495 P CA -0.705 62.360 63.100 -0.059 0.000 0.780 495 P CB -0.008 31.408 31.700 -0.473 0.000 0.898 496 P HA 0.109 nan 4.420 nan 0.000 0.274 496 P C 0.811 178.273 177.300 0.271 0.000 1.256 496 P CA -0.163 63.033 63.100 0.158 0.000 0.795 496 P CB 0.773 32.523 31.700 0.083 0.000 1.038 497 L N 0.351 121.745 121.223 0.286 0.000 2.187 497 L HA -0.198 4.143 4.340 0.001 0.000 0.213 497 L C 2.813 179.846 176.870 0.273 0.000 1.100 497 L CA 1.789 56.826 54.840 0.329 0.000 0.765 497 L CB -0.817 41.344 42.059 0.171 0.000 0.904 497 L HN 0.471 nan 8.230 nan 0.000 0.437 498 R N -0.447 120.155 120.500 0.169 0.000 2.115 498 R HA -0.075 4.266 4.340 0.001 0.000 0.230 498 R C 1.875 178.231 176.300 0.092 0.000 1.111 498 R CA 1.183 57.362 56.100 0.132 0.000 0.976 498 R CB -0.821 29.531 30.300 0.086 0.000 0.870 498 R HN 0.081 nan 8.270 nan 0.000 0.445 499 V N 0.234 120.158 119.914 0.018 0.000 2.379 499 V HA -0.133 3.988 4.120 0.001 0.000 0.245 499 V C 1.819 177.832 176.094 -0.136 0.000 1.044 499 V CA 1.552 63.779 62.300 -0.121 0.000 1.036 499 V CB -0.635 31.034 31.823 -0.257 0.000 0.664 499 V HN 0.389 nan 8.190 nan 0.000 0.453 500 W N 0.559 121.925 121.300 0.110 0.000 2.342 500 W HA -0.181 4.480 4.660 0.001 0.000 0.297 500 W C 2.575 179.263 176.519 0.281 0.000 1.213 500 W CA 1.794 59.244 57.345 0.176 0.000 1.251 500 W CB -0.195 29.365 29.460 0.167 0.000 1.136 500 W HN 0.107 nan 8.180 nan 0.000 0.526 501 K N 0.137 120.830 120.400 0.488 0.000 2.057 501 K HA -0.152 4.168 4.320 0.001 0.000 0.206 501 K C 2.108 178.812 176.600 0.174 0.000 1.050 501 K CA 1.769 58.328 56.287 0.454 0.000 0.935 501 K CB -0.323 32.432 32.500 0.425 0.000 0.715 501 K HN -0.048 nan 8.250 nan 0.000 0.439 502 S N 0.650 116.409 115.700 0.100 0.000 2.356 502 S HA -0.147 4.323 4.470 0.001 0.000 0.223 502 S C 1.879 176.469 174.600 -0.018 0.000 1.032 502 S CA 1.262 59.469 58.200 0.011 0.000 1.005 502 S CB -0.266 62.924 63.200 -0.016 0.000 0.867 502 S HN 0.355 nan 8.310 nan 0.000 0.449 503 R N 1.034 121.535 120.500 0.001 0.000 2.081 503 R HA -0.073 4.268 4.340 0.001 0.000 0.235 503 R C 2.357 178.644 176.300 -0.022 0.000 1.131 503 R CA 1.307 57.397 56.100 -0.016 0.000 0.960 503 R CB -0.425 29.862 30.300 -0.021 0.000 0.856 503 R HN 0.398 nan 8.270 nan 0.000 0.436 504 A N 0.740 123.586 122.820 0.043 0.000 1.969 504 A HA -0.138 4.182 4.320 0.001 0.000 0.218 504 A C 2.075 179.450 177.584 -0.349 0.000 1.169 504 A CA 1.176 53.120 52.037 -0.155 0.000 0.635 504 A CB -0.330 18.699 19.000 0.049 0.000 0.810 504 A HN 0.327 nan 8.150 nan 0.000 0.445 505 R N -0.449 119.914 120.500 -0.228 0.000 2.081 505 R HA -0.070 4.270 4.340 0.001 0.000 0.235 505 R C 2.435 178.616 176.300 -0.198 0.000 1.131 505 R CA 1.274 57.243 56.100 -0.218 0.000 0.960 505 R CB -0.410 29.805 30.300 -0.141 0.000 0.856 505 R HN 0.506 nan 8.270 nan 0.000 0.436 506 A N 0.508 123.229 122.820 -0.165 0.000 1.897 506 A HA -0.062 4.259 4.320 0.001 0.000 0.215 506 A C 2.334 179.810 177.584 -0.179 0.000 1.181 506 A CA 1.002 52.955 52.037 -0.140 0.000 0.620 506 A CB -0.410 18.529 19.000 -0.102 0.000 0.821 506 A HN 0.099 nan 8.150 nan 0.000 0.443 507 V N 0.321 120.085 119.914 -0.250 0.000 2.287 507 V HA -0.283 3.838 4.120 0.001 0.000 0.248 507 V C 2.664 178.529 176.094 -0.381 0.000 1.053 507 V CA 2.370 64.484 62.300 -0.311 0.000 1.027 507 V CB -0.814 30.753 31.823 -0.427 0.000 0.646 507 V HN 0.690 nan 8.190 nan 0.000 0.447 508 R N 0.271 120.463 120.500 -0.514 0.000 2.080 508 R HA -0.209 4.132 4.340 0.001 0.000 0.236 508 R C 2.319 178.515 176.300 -0.174 0.000 1.137 508 R CA 1.943 57.836 56.100 -0.344 0.000 0.943 508 R CB -0.545 29.581 30.300 -0.290 0.000 0.846 508 R HN 0.470 nan 8.270 nan 0.000 0.431 509 A N 0.200 122.926 122.820 -0.156 0.000 1.908 509 A HA -0.160 4.160 4.320 0.001 0.000 0.218 509 A C 2.243 179.780 177.584 -0.077 0.000 1.181 509 A CA 2.059 54.035 52.037 -0.101 0.000 0.627 509 A CB -0.622 18.322 19.000 -0.093 0.000 0.818 509 A HN 0.483 nan 8.150 nan 0.000 0.445 510 S N -0.230 115.419 115.700 -0.084 0.000 2.368 510 S HA -0.077 4.393 4.470 0.001 0.000 0.225 510 S C 1.834 176.418 174.600 -0.028 0.000 1.030 510 S CA 1.373 59.543 58.200 -0.051 0.000 0.999 510 S CB -0.450 62.721 63.200 -0.048 0.000 0.844 510 S HN 0.494 nan 8.310 nan 0.000 0.459 511 L N 0.960 122.161 121.223 -0.036 0.000 2.017 511 L HA -0.113 4.227 4.340 0.001 0.000 0.208 511 L C 2.209 179.080 176.870 0.001 0.000 1.073 511 L CA 1.242 56.083 54.840 0.002 0.000 0.745 511 L CB -0.545 41.512 42.059 -0.003 0.000 0.894 511 L HN 0.295 nan 8.230 nan 0.000 0.432 512 I N -0.402 120.156 120.570 -0.020 0.000 2.226 512 I HA -0.305 3.866 4.170 0.001 0.000 0.245 512 I C 2.712 178.823 176.117 -0.010 0.000 1.100 512 I CA 1.579 62.871 61.300 -0.015 0.000 1.374 512 I CB -0.357 37.626 38.000 -0.028 0.000 1.057 512 I HN 0.357 nan 8.210 nan 0.000 0.413 513 S N 0.786 116.477 115.700 -0.015 0.000 2.442 513 S HA -0.145 4.326 4.470 0.001 0.000 0.236 513 S C 1.988 176.588 174.600 -0.001 0.000 1.007 513 S CA 0.713 58.906 58.200 -0.011 0.000 0.965 513 S CB -0.447 62.743 63.200 -0.016 0.000 0.773 513 S HN 0.422 nan 8.310 nan 0.000 0.504 514 R N 1.253 121.757 120.500 0.008 0.000 2.276 514 R HA 0.262 4.603 4.340 0.001 0.000 0.203 514 R C 1.545 177.856 176.300 0.019 0.000 1.017 514 R CA 0.380 56.491 56.100 0.018 0.000 1.010 514 R CB -0.702 29.617 30.300 0.032 0.000 0.900 514 R HN 0.590 nan 8.270 nan 0.000 0.469 515 G N -0.118 108.691 108.800 0.014 0.000 2.749 515 G HA2 -0.120 3.841 3.960 0.001 0.000 0.242 515 G HA3 -0.120 3.841 3.960 0.001 0.000 0.242 515 G C 0.444 175.356 174.900 0.020 0.000 1.364 515 G CA -0.342 44.767 45.100 0.014 0.000 0.888 515 G HN 0.635 nan 8.290 nan 0.000 0.566 516 G N -0.968 107.842 108.800 0.017 0.000 2.574 516 G HA2 -0.243 3.717 3.960 0.001 0.000 0.282 516 G HA3 -0.243 3.717 3.960 0.001 0.000 0.282 516 G C 1.099 176.010 174.900 0.018 0.000 1.257 516 G CA 1.291 46.401 45.100 0.018 0.000 0.956 516 G HN 1.475 nan 8.290 nan 0.000 0.560 517 K N 0.542 120.957 120.400 0.024 0.000 2.148 517 K HA 0.135 4.456 4.320 0.001 0.000 0.204 517 K C 3.055 179.682 176.600 0.045 0.000 1.050 517 K CA 1.469 57.770 56.287 0.024 0.000 0.942 517 K CB -0.325 32.197 32.500 0.038 0.000 0.724 517 K HN 0.660 nan 8.250 nan 0.000 0.446 518 A N 1.813 124.674 122.820 0.068 0.000 1.908 518 A HA -0.155 4.165 4.320 0.001 0.000 0.218 518 A C 2.391 180.003 177.584 0.047 0.000 1.181 518 A CA 1.966 54.055 52.037 0.087 0.000 0.627 518 A CB -0.602 18.455 19.000 0.094 0.000 0.818 518 A HN 0.336 nan 8.150 nan 0.000 0.445 519 A N -0.728 122.111 122.820 0.032 0.000 1.968 519 A HA 0.107 4.428 4.320 0.001 0.000 0.217 519 A C 2.159 179.761 177.584 0.030 0.000 1.169 519 A CA 1.483 53.533 52.037 0.022 0.000 0.638 519 A CB -0.708 18.302 19.000 0.017 0.000 0.812 519 A HN 0.376 nan 8.150 nan 0.000 0.446 520 V N -0.848 119.080 119.914 0.023 0.000 2.343 520 V HA -0.312 3.809 4.120 0.001 0.000 0.247 520 V C 2.597 178.694 176.094 0.004 0.000 1.051 520 V CA 1.962 64.274 62.300 0.020 0.000 1.036 520 V CB -1.209 30.558 31.823 -0.094 0.000 0.654 520 V HN 0.701 nan 8.190 nan 0.000 0.451 521 C N 0.861 120.140 119.300 -0.034 0.000 2.429 521 C HA -0.067 4.394 4.460 0.001 0.000 0.277 521 C C 2.971 177.918 174.990 -0.072 0.000 1.262 521 C CA 0.900 59.848 59.018 -0.117 0.000 1.733 521 C CB -1.664 25.980 27.740 -0.158 0.000 2.010 521 C HN 0.680 nan 8.230 nan 0.000 0.483 522 G N 0.020 108.831 108.800 0.017 0.000 2.421 522 G HA2 -0.206 3.755 3.960 0.001 0.000 0.216 522 G HA3 -0.206 3.755 3.960 0.001 0.000 0.216 522 G C 1.802 176.742 174.900 0.066 0.000 1.171 522 G CA 0.542 45.701 45.100 0.099 0.000 0.775 522 G HN 0.578 nan 8.290 nan 0.000 0.543 523 R N -1.139 119.375 120.500 0.024 0.000 2.066 523 R HA -0.019 4.321 4.340 0.001 0.000 0.232 523 R C 2.390 178.588 176.300 -0.170 0.000 1.131 523 R CA 1.379 57.449 56.100 -0.051 0.000 0.955 523 R CB -0.384 29.906 30.300 -0.017 0.000 0.851 523 R HN 0.458 nan 8.270 nan 0.000 0.432 524 Y N 0.439 120.567 120.300 -0.286 0.000 2.231 524 Y HA -0.014 4.536 4.550 0.001 0.000 0.294 524 Y C 2.131 177.743 175.900 -0.481 0.000 1.120 524 Y CA 0.936 58.713 58.100 -0.539 0.000 1.141 524 Y CB -0.140 37.786 38.460 -0.889 0.000 1.022 524 Y HN -0.067 nan 8.280 nan 0.000 0.523 525 L N -2.007 119.049 121.223 -0.278 0.000 2.240 525 L HA -0.090 4.250 4.340 0.001 0.000 0.211 525 L C 0.721 177.284 176.870 -0.513 0.000 1.106 525 L CA 1.071 55.676 54.840 -0.392 0.000 0.793 525 L CB -0.294 41.330 42.059 -0.725 0.000 0.927 525 L HN 0.157 nan 8.230 nan 0.000 0.446 526 F N -1.407 118.485 119.950 -0.097 0.000 2.698 526 F HA 0.181 4.709 4.527 0.001 0.000 0.304 526 F C 1.674 177.148 175.800 -0.543 0.000 1.108 526 F CA -0.396 57.352 58.000 -0.420 0.000 1.263 526 F CB -0.507 38.264 39.000 -0.381 0.000 1.013 526 F HN -0.063 nan 8.300 nan 0.000 0.532 527 N N 1.153 119.753 118.700 -0.167 0.000 2.272 527 N HA -0.206 4.535 4.740 0.001 0.000 0.185 527 N C 1.990 177.448 175.510 -0.087 0.000 1.014 527 N CA 1.709 54.681 53.050 -0.131 0.000 0.870 527 N CB -0.216 38.214 38.487 -0.094 0.000 0.975 527 N HN 0.534 nan 8.380 nan 0.000 0.433 528 W N -0.383 120.950 121.300 0.055 0.000 2.392 528 W HA 0.080 4.740 4.660 0.001 0.000 0.279 528 W C 1.441 178.009 176.519 0.082 0.000 1.225 528 W CA 0.758 58.143 57.345 0.068 0.000 1.233 528 W CB -0.920 28.592 29.460 0.087 0.000 1.122 528 W HN 0.053 nan 8.180 nan 0.000 0.561 529 A N 1.565 123.952 122.820 -0.722 0.000 2.016 529 A HA 0.140 4.461 4.320 0.001 0.000 0.217 529 A C 1.248 178.684 177.584 -0.248 0.000 1.162 529 A CA 1.231 52.855 52.037 -0.688 0.000 0.662 529 A CB -0.933 17.379 19.000 -1.147 0.000 0.812 529 A HN 0.133 nan 8.150 nan 0.000 0.450 530 V N -2.958 116.839 119.914 -0.195 0.000 2.837 530 V HA 0.402 4.522 4.120 0.001 0.000 0.310 530 V C 1.080 177.140 176.094 -0.058 0.000 1.059 530 V CA -0.365 61.865 62.300 -0.116 0.000 1.004 530 V CB 1.525 33.276 31.823 -0.120 0.000 1.045 530 V HN 0.346 nan 8.190 nan 0.000 0.465 531 K N 1.044 121.418 120.400 -0.044 0.000 2.044 531 K HA 0.024 4.345 4.320 0.001 0.000 0.204 531 K C 0.729 177.309 176.600 -0.032 0.000 1.049 531 K CA 1.354 57.626 56.287 -0.025 0.000 0.945 531 K CB -0.076 32.412 32.500 -0.020 0.000 0.724 531 K HN 0.857 nan 8.250 nan 0.000 0.440 532 T N 3.587 118.116 114.554 -0.041 0.000 2.875 532 T HA 0.173 4.524 4.350 0.001 0.000 0.307 532 T C -0.568 174.100 174.700 -0.054 0.000 1.013 532 T CA -0.391 61.684 62.100 -0.043 0.000 0.970 532 T CB 0.827 69.671 68.868 -0.040 0.000 0.986 532 T HN 0.043 nan 8.240 nan 0.000 0.536 533 K N 3.076 123.444 120.400 -0.053 0.000 2.355 533 K HA 0.278 4.599 4.320 0.001 0.000 0.270 533 K C 0.301 176.857 176.600 -0.074 0.000 1.003 533 K CA -0.267 55.981 56.287 -0.064 0.000 0.957 533 K CB 1.048 33.514 32.500 -0.055 0.000 0.939 533 K HN 0.498 nan 8.250 nan 0.000 0.482 534 L N 1.655 122.818 121.223 -0.100 0.000 2.421 534 L HA 0.283 4.623 4.340 0.001 0.000 0.263 534 L C 0.738 177.535 176.870 -0.121 0.000 1.122 534 L CA -0.576 54.197 54.840 -0.112 0.000 0.804 534 L CB 0.447 42.419 42.059 -0.145 0.000 1.150 534 L HN 0.431 nan 8.230 nan 0.000 0.457 535 K N 2.541 122.879 120.400 -0.103 0.000 2.285 535 K HA 0.388 4.708 4.320 0.001 0.000 0.286 535 K C -1.052 175.466 176.600 -0.136 0.000 1.072 535 K CA -0.418 55.816 56.287 -0.089 0.000 0.913 535 K CB 0.469 32.939 32.500 -0.050 0.000 1.067 535 K HN 0.476 nan 8.250 nan 0.000 0.479 536 L N 5.054 126.177 121.223 -0.167 0.000 2.260 536 L HA 0.228 4.569 4.340 0.001 0.000 0.289 536 L C 0.571 177.433 176.870 -0.013 0.000 1.057 536 L CA -0.670 54.005 54.840 -0.276 0.000 0.811 536 L CB 1.157 42.959 42.059 -0.428 0.000 1.184 536 L HN 0.745 nan 8.230 nan 0.000 0.429 537 T N 0.827 115.435 114.554 0.089 0.000 2.934 537 T HA 0.500 4.850 4.350 0.001 0.000 0.283 537 T C -2.529 172.313 174.700 0.236 0.000 1.005 537 T CA -2.263 59.922 62.100 0.141 0.000 1.041 537 T CB 1.252 70.180 68.868 0.100 0.000 1.042 537 T HN 0.209 nan 8.240 nan 0.000 0.505 538 P HA 0.184 nan 4.420 nan 0.000 0.265 538 P C -0.625 176.727 177.300 0.087 0.000 1.193 538 P CA -0.162 63.020 63.100 0.138 0.000 0.765 538 P CB 0.178 31.929 31.700 0.085 0.000 0.823 539 L N 6.811 128.051 121.223 0.029 0.000 2.319 539 L HA 0.188 4.529 4.340 0.001 0.000 0.280 539 L C -1.124 175.724 176.870 -0.035 0.000 1.099 539 L CA -1.470 53.331 54.840 -0.065 0.000 0.828 539 L CB 0.644 42.582 42.059 -0.201 0.000 1.150 539 L HN 0.341 nan 8.230 nan 0.000 0.442 540 P HA -0.207 nan 4.420 nan 0.000 0.216 540 P C 1.255 178.534 177.300 -0.035 0.000 1.150 540 P CA 0.800 63.886 63.100 -0.024 0.000 0.843 540 P CB 0.338 32.025 31.700 -0.020 0.000 0.787 541 E N 0.206 120.375 120.200 -0.051 0.000 2.204 541 E HA -0.146 4.204 4.350 0.001 0.000 0.195 541 E C 1.873 178.437 176.600 -0.059 0.000 0.990 541 E CA 1.400 57.767 56.400 -0.055 0.000 0.821 541 E CB -1.120 28.542 29.700 -0.062 0.000 0.750 541 E HN 0.100 nan 8.360 nan 0.000 0.477 542 A N 1.421 124.209 122.820 -0.054 0.000 1.940 542 A HA -0.238 4.082 4.320 0.001 0.000 0.219 542 A C 2.198 179.752 177.584 -0.050 0.000 1.176 542 A CA 1.973 53.981 52.037 -0.048 0.000 0.631 542 A CB -0.677 18.314 19.000 -0.016 0.000 0.814 542 A HN 0.447 nan 8.150 nan 0.000 0.446 543 R N -1.117 119.361 120.500 -0.036 0.000 2.189 543 R HA 0.069 4.410 4.340 0.001 0.000 0.218 543 R C 1.305 177.578 176.300 -0.045 0.000 1.074 543 R CA 1.184 57.263 56.100 -0.034 0.000 0.991 543 R CB -0.530 29.758 30.300 -0.020 0.000 0.883 543 R HN 0.324 nan 8.270 nan 0.000 0.457 544 L N 1.360 122.553 121.223 -0.050 0.000 2.313 544 L HA 0.123 4.463 4.340 0.001 0.000 0.214 544 L C 0.796 177.621 176.870 -0.076 0.000 1.119 544 L CA 0.924 55.732 54.840 -0.054 0.000 0.809 544 L CB -0.273 41.757 42.059 -0.047 0.000 0.933 544 L HN 0.141 nan 8.230 nan 0.000 0.449 545 L N 0.196 121.358 121.223 -0.102 0.000 2.367 545 L HA 0.124 4.465 4.340 0.001 0.000 0.275 545 L C -0.159 176.617 176.870 -0.157 0.000 1.129 545 L CA -0.140 54.605 54.840 -0.157 0.000 0.839 545 L CB 0.382 42.315 42.059 -0.210 0.000 1.133 545 L HN -0.039 nan 8.230 nan 0.000 0.453 546 D N 3.619 123.915 120.400 -0.173 0.000 2.460 546 D HA 0.276 4.917 4.640 0.001 0.000 0.232 546 D C -0.006 176.151 176.300 -0.238 0.000 1.079 546 D CA -0.323 53.585 54.000 -0.154 0.000 0.864 546 D CB 1.299 42.045 40.800 -0.090 0.000 1.048 546 D HN 0.189 nan 8.370 nan 0.000 0.523 547 L N 2.749 123.814 121.223 -0.263 0.000 2.808 547 L HA 0.112 4.452 4.340 0.001 0.000 0.246 547 L C 2.166 178.998 176.870 -0.064 0.000 1.153 547 L CA 0.287 54.910 54.840 -0.362 0.000 0.956 547 L CB -0.469 41.292 42.059 -0.497 0.000 1.270 547 L HN 0.459 nan 8.230 nan 0.000 0.528 548 S N -0.837 114.846 115.700 -0.028 0.000 2.419 548 S HA -0.103 4.368 4.470 0.001 0.000 0.233 548 S C 1.402 176.058 174.600 0.094 0.000 1.016 548 S CA 1.292 59.517 58.200 0.042 0.000 0.974 548 S CB -0.242 62.968 63.200 0.016 0.000 0.786 548 S HN 0.455 nan 8.310 nan 0.000 0.492 549 S N -1.687 114.066 115.700 0.088 0.000 2.711 549 S HA 0.290 4.761 4.470 0.001 0.000 0.247 549 S C 0.411 175.086 174.600 0.125 0.000 1.079 549 S CA -0.624 57.643 58.200 0.111 0.000 1.050 549 S CB -0.606 62.633 63.200 0.065 0.000 0.885 549 S HN 0.534 nan 8.310 nan 0.000 0.498 550 W N 1.884 123.097 121.300 -0.146 0.000 2.392 550 W HA 0.124 4.785 4.660 0.001 0.000 0.279 550 W C 0.811 177.036 176.519 -0.491 0.000 1.225 550 W CA 0.310 57.425 57.345 -0.383 0.000 1.233 550 W CB -0.611 28.479 29.460 -0.618 0.000 1.122 550 W HN 0.485 nan 8.180 nan 0.000 0.561 551 F N -1.391 118.563 119.950 0.007 0.000 2.220 551 F HA -0.064 4.464 4.527 0.001 0.000 0.290 551 F C 2.788 178.583 175.800 -0.007 0.000 1.080 551 F CA 1.790 59.719 58.000 -0.118 0.000 1.318 551 F CB -1.417 37.492 39.000 -0.152 0.000 1.063 551 F HN -0.272 nan 8.300 nan 0.000 0.498 552 T N 0.173 114.838 114.554 0.184 0.000 2.833 552 T HA -0.143 4.207 4.350 0.001 0.000 0.269 552 T C 2.081 176.815 174.700 0.056 0.000 1.054 552 T CA 1.721 63.906 62.100 0.142 0.000 1.135 552 T CB -0.781 68.168 68.868 0.135 0.000 0.869 552 T HN 0.135 nan 8.240 nan 0.000 0.466 553 V N 0.017 119.916 119.914 -0.025 0.000 2.594 553 V HA 0.157 4.278 4.120 0.001 0.000 0.253 553 V C 2.741 178.814 176.094 -0.035 0.000 1.069 553 V CA 1.776 64.032 62.300 -0.072 0.000 1.082 553 V CB -1.762 29.865 31.823 -0.327 0.000 0.680 553 V HN 0.512 nan 8.190 nan 0.000 0.469 554 G N -0.146 108.584 108.800 -0.116 0.000 2.422 554 G HA2 0.131 4.091 3.960 0.001 0.000 0.218 554 G HA3 0.131 4.091 3.960 0.001 0.000 0.218 554 G C 1.381 176.263 174.900 -0.030 0.000 1.140 554 G CA 0.982 46.030 45.100 -0.087 0.000 0.775 554 G HN 1.749 nan 8.290 nan 0.000 0.545 555 A N -1.423 121.389 122.820 -0.013 0.000 2.861 555 A HA 0.107 4.428 4.320 0.001 0.000 0.261 555 A C 2.179 179.597 177.584 -0.277 0.000 1.351 555 A CA 1.709 53.722 52.037 -0.040 0.000 0.904 555 A CB -1.814 17.168 19.000 -0.030 0.000 1.076 555 A HN 2.339 nan 8.150 nan 0.000 0.729 556 G N -2.627 105.823 108.800 -0.583 0.000 2.212 556 G HA2 -0.010 3.950 3.960 0.001 0.000 0.267 556 G HA3 -0.010 3.950 3.960 0.001 0.000 0.267 556 G C 1.618 176.270 174.900 -0.414 0.000 1.002 556 G CA 1.353 45.842 45.100 -1.020 0.000 0.729 556 G HN 2.338 nan 8.290 nan 0.000 0.517 557 G N -1.262 107.411 108.800 -0.212 0.000 3.233 557 G HA2 0.548 4.508 3.960 0.001 0.000 0.234 557 G HA3 0.548 4.508 3.960 0.001 0.000 0.234 557 G C 1.578 176.445 174.900 -0.055 0.000 1.137 557 G CA 1.479 46.518 45.100 -0.102 0.000 0.763 557 G HN 1.854 nan 8.290 nan 0.000 0.549 558 G N 0.904 109.662 108.800 -0.069 0.000 4.951 558 G HA2 -0.353 3.608 3.960 0.001 0.000 0.295 558 G HA3 -0.353 3.608 3.960 0.001 0.000 0.295 558 G C 0.631 175.492 174.900 -0.064 0.000 1.540 558 G CA 0.411 45.480 45.100 -0.050 0.000 1.044 558 G HN 0.411 nan 8.290 nan 0.000 0.731 559 D N 1.974 122.346 120.400 -0.047 0.000 2.870 559 D HA 0.413 5.054 4.640 0.001 0.000 0.241 559 D C 0.277 176.533 176.300 -0.072 0.000 1.234 559 D CA -0.016 53.948 54.000 -0.060 0.000 0.844 559 D CB -0.438 40.340 40.800 -0.037 0.000 1.051 559 D HN 0.320 nan 8.370 nan 0.000 0.469 560 I N 1.106 121.620 120.570 -0.094 0.000 2.509 560 I HA 0.369 4.540 4.170 0.001 0.000 0.293 560 I C -0.716 175.290 176.117 -0.184 0.000 1.020 560 I CA -0.972 60.249 61.300 -0.132 0.000 1.088 560 I CB 1.445 39.408 38.000 -0.061 0.000 1.267 560 I HN -0.095 nan 8.210 nan 0.000 0.430 561 F N 5.901 125.553 119.950 -0.495 0.000 2.540 561 F HA 0.580 5.108 4.527 0.001 0.000 0.317 561 F C -0.920 174.376 175.800 -0.840 0.000 1.104 561 F CA -0.215 57.448 58.000 -0.561 0.000 0.913 561 F CB 1.308 40.068 39.000 -0.400 0.000 1.170 561 F HN 0.386 nan 8.300 nan 0.000 0.450 562 H N 3.318 121.591 119.070 -1.328 0.000 2.856 562 H HA 0.356 4.913 4.556 0.001 0.000 0.355 562 H C -0.737 174.083 175.328 -0.846 0.000 1.079 562 H CA -0.711 54.788 56.048 -0.916 0.000 1.240 562 H CB 2.215 31.639 29.762 -0.563 0.000 1.701 562 H HN 0.554 nan 8.280 nan 0.000 0.527 563 S N 0.773 116.251 115.700 -0.370 0.000 2.671 563 S HA 0.259 4.730 4.470 0.001 0.000 0.272 563 S C 0.463 175.208 174.600 0.241 0.000 1.174 563 S CA -0.774 57.384 58.200 -0.070 0.000 1.004 563 S CB 1.309 64.496 63.200 -0.021 0.000 1.077 563 S HN 0.261 nan 8.310 nan 0.000 0.553 564 V N 2.268 122.302 119.914 0.201 0.000 2.555 564 V HA 0.132 4.253 4.120 0.001 0.000 0.286 564 V C -0.004 176.063 176.094 -0.045 0.000 1.044 564 V CA -0.060 62.283 62.300 0.072 0.000 1.026 564 V CB 1.002 32.819 31.823 -0.009 0.000 0.981 564 V HN 0.855 nan 8.190 nan 0.000 0.480 565 S N 5.168 120.759 115.700 -0.180 0.000 2.473 565 S HA 0.441 4.911 4.470 0.001 0.000 0.312 565 S C -0.090 174.421 174.600 -0.148 0.000 1.087 565 S CA -0.587 57.536 58.200 -0.128 0.000 1.077 565 S CB 0.536 63.662 63.200 -0.123 0.000 1.065 565 S HN 0.448 nan 8.310 nan 0.000 0.510 566 V N 0.000 119.859 119.914 -0.092 0.000 2.409 566 V HA 0.000 4.121 4.120 0.001 0.000 0.244 566 V CA 0.000 62.252 62.300 -0.081 0.000 1.235 566 V CB 0.000 31.788 31.823 -0.058 0.000 1.184 566 V HN 0.000 nan 8.190 nan 0.000 0.556