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 1rlu_1_B DATA FIRST_RESID 6 DATA SEQUENCE NYLAVIKVVG IGGGGVNAVN RMIEQGLKGV EFIAINTDAQ ALLMSDADVK DATA SEQUENCE LDVGXXXXXX XXXXADPEVG RKAAEDAKDE IEELLRGADM VFVTAGEGGG DATA SEQUENCE TGTGGAPVVA SIARKLGALT VGVVTRPFSF EGKRRSNQAE NGIAALRESC DATA SEQUENCE DTLIVIPNDR LLQMXXXXVS LMDAFRSADE VLLNGVQGIT DLITTPGLIN DATA SEQUENCE VDFADVKGIM SGAGTALMGI GSARGEGRSL KAAEIAINSP LLEASMEGAQ DATA SEQUENCE GVLMSIAGGS DLGLFEINEA ASLVQDAAHP DANIIFGTVI DDSLGDEVRV DATA SEQUENCE TVIAAGF 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.220 175.510 -0.483 0.000 1.280 6 N CA 0.000 52.861 53.050 -0.316 0.000 0.885 6 N CB 0.000 38.375 38.487 -0.187 0.000 1.341 7 Y N 1.132 121.397 120.300 -0.057 0.000 2.476 7 Y HA 0.636 5.186 4.550 -0.000 0.000 0.283 7 Y C 1.730 177.598 175.900 -0.053 0.000 1.109 7 Y CA 1.115 59.190 58.100 -0.042 0.000 1.246 7 Y CB 0.396 38.844 38.460 -0.020 0.000 1.068 7 Y HN 0.642 nan 8.280 nan 0.000 0.552 8 L N 0.504 121.748 121.223 0.036 0.000 2.272 8 L HA 0.858 5.198 4.340 -0.000 0.000 0.284 8 L C 0.645 177.441 176.870 -0.124 0.000 1.045 8 L CA -1.203 53.620 54.840 -0.029 0.000 0.842 8 L CB -0.744 41.308 42.059 -0.011 0.000 1.224 8 L HN 0.232 nan 8.230 nan 0.000 0.430 9 A N 2.936 125.629 122.820 -0.212 0.000 2.584 9 A HA 0.441 4.761 4.320 -0.000 0.000 0.239 9 A C 0.483 177.910 177.584 -0.262 0.000 1.043 9 A CA 0.211 52.015 52.037 -0.388 0.000 0.756 9 A CB -0.149 18.477 19.000 -0.623 0.000 0.963 9 A HN 1.539 nan 8.150 nan 0.000 0.511 10 V N 5.201 124.962 119.914 -0.255 0.000 2.368 10 V HA 0.239 4.359 4.120 -0.000 0.000 0.266 10 V C 0.181 176.191 176.094 -0.140 0.000 1.045 10 V CA 0.216 62.420 62.300 -0.160 0.000 0.899 10 V CB 0.181 31.928 31.823 -0.126 0.000 1.006 10 V HN 0.629 nan 8.190 nan 0.000 0.470 11 I N 5.602 126.112 120.570 -0.100 0.000 2.378 11 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 11 I C -0.005 176.084 176.117 -0.047 0.000 0.992 11 I CA -0.586 60.695 61.300 -0.032 0.000 1.154 11 I CB 1.600 39.614 38.000 0.025 0.000 1.315 11 I HN 0.453 nan 8.210 nan 0.000 0.448 12 K N 5.327 125.731 120.400 0.008 0.000 2.323 12 K HA 0.609 4.929 4.320 -0.000 0.000 0.259 12 K C -1.197 175.448 176.600 0.075 0.000 0.947 12 K CA -0.654 55.628 56.287 -0.007 0.000 0.819 12 K CB 2.611 35.111 32.500 0.000 0.000 1.109 12 K HN 0.281 nan 8.250 nan 0.000 0.429 13 V N 3.927 123.855 119.914 0.022 0.000 2.334 13 V HA 0.229 4.349 4.120 -0.000 0.000 0.281 13 V C -0.423 175.761 176.094 0.150 0.000 1.016 13 V CA -0.915 61.456 62.300 0.118 0.000 0.832 13 V CB 1.457 33.312 31.823 0.054 0.000 0.999 13 V HN 0.453 nan 8.190 nan 0.000 0.439 14 V N 4.485 124.487 119.914 0.147 0.000 2.350 14 V HA 0.620 4.740 4.120 -0.000 0.000 0.276 14 V C 0.847 177.007 176.094 0.110 0.000 1.028 14 V CA -0.270 62.099 62.300 0.115 0.000 0.860 14 V CB 1.511 33.385 31.823 0.084 0.000 0.990 14 V HN 0.910 nan 8.190 nan 0.000 0.453 15 G N 4.776 113.635 108.800 0.097 0.000 2.322 15 G HA2 0.675 4.635 3.960 -0.000 0.000 0.309 15 G HA3 0.675 4.635 3.960 -0.000 0.000 0.309 15 G C -0.997 173.931 174.900 0.047 0.000 1.121 15 G CA -0.353 44.787 45.100 0.067 0.000 0.886 15 G HN 0.686 nan 8.290 nan 0.000 0.447 16 I N 2.142 122.734 120.570 0.038 0.000 2.545 16 I HA 0.721 4.890 4.170 -0.000 0.000 0.292 16 I C 0.448 176.576 176.117 0.019 0.000 1.040 16 I CA 0.359 61.675 61.300 0.028 0.000 1.068 16 I CB 1.647 39.664 38.000 0.028 0.000 1.251 16 I HN 1.169 nan 8.210 nan 0.000 0.424 17 G N 4.032 112.840 108.800 0.013 0.000 2.829 17 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.628 17 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.628 17 G C 0.519 175.421 174.900 0.004 0.000 1.412 17 G CA -0.200 44.905 45.100 0.008 0.000 0.864 17 G HN 1.240 nan 8.290 nan 0.000 0.544 18 G N -0.338 108.461 108.800 -0.001 0.000 2.418 18 G HA2 0.218 4.178 3.960 -0.000 0.000 0.217 18 G HA3 0.218 4.178 3.960 -0.000 0.000 0.217 18 G C 1.953 176.848 174.900 -0.008 0.000 1.158 18 G CA 1.978 47.075 45.100 -0.006 0.000 0.771 18 G HN 1.934 nan 8.290 nan 0.000 0.545 19 G N 0.573 109.370 108.800 -0.005 0.000 2.422 19 G HA2 0.107 4.067 3.960 -0.000 0.000 0.218 19 G HA3 0.107 4.067 3.960 -0.000 0.000 0.218 19 G C 1.692 176.592 174.900 0.001 0.000 1.140 19 G CA 1.327 46.425 45.100 -0.005 0.000 0.775 19 G HN 0.587 nan 8.290 nan 0.000 0.545 20 G N 0.325 109.130 108.800 0.008 0.000 2.394 20 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.215 20 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.215 20 G C 1.724 176.631 174.900 0.012 0.000 1.165 20 G CA 1.038 46.148 45.100 0.018 0.000 0.784 20 G HN 0.286 nan 8.290 nan 0.000 0.535 21 V N 1.382 121.298 119.914 0.005 0.000 2.427 21 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 21 V C 2.604 178.683 176.094 -0.026 0.000 1.051 21 V CA 1.989 64.285 62.300 -0.005 0.000 1.048 21 V CB -0.458 31.362 31.823 -0.005 0.000 0.666 21 V HN 0.414 nan 8.190 nan 0.000 0.456 22 N N 0.669 119.355 118.700 -0.024 0.000 2.142 22 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 22 N C 1.791 177.277 175.510 -0.041 0.000 1.023 22 N CA 1.672 54.702 53.050 -0.034 0.000 0.852 22 N CB -0.343 38.129 38.487 -0.026 0.000 0.998 22 N HN 0.391 nan 8.380 nan 0.000 0.424 23 A N 0.103 122.908 122.820 -0.026 0.000 1.883 23 A HA -0.119 4.200 4.320 -0.000 0.000 0.217 23 A C 2.464 180.016 177.584 -0.053 0.000 1.186 23 A CA 1.843 53.865 52.037 -0.025 0.000 0.624 23 A CB -1.070 17.930 19.000 0.001 0.000 0.822 23 A HN 0.177 nan 8.150 nan 0.000 0.444 24 V N 0.947 120.830 119.914 -0.052 0.000 2.343 24 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 24 V C 2.254 178.187 176.094 -0.269 0.000 1.051 24 V CA 2.164 64.394 62.300 -0.117 0.000 1.036 24 V CB -0.953 30.857 31.823 -0.022 0.000 0.654 24 V HN 0.567 nan 8.190 nan 0.000 0.451 25 N N 0.099 118.693 118.700 -0.176 0.000 2.223 25 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 25 N C 1.937 177.339 175.510 -0.180 0.000 1.016 25 N CA 1.349 54.289 53.050 -0.183 0.000 0.863 25 N CB -0.450 37.973 38.487 -0.107 0.000 0.983 25 N HN 0.509 nan 8.380 nan 0.000 0.429 26 R N 0.575 120.994 120.500 -0.136 0.000 2.092 26 R HA 0.060 4.399 4.340 -0.000 0.000 0.231 26 R C 2.058 178.276 176.300 -0.136 0.000 1.119 26 R CA 0.910 56.947 56.100 -0.105 0.000 0.970 26 R CB -0.070 30.194 30.300 -0.060 0.000 0.864 26 R HN 0.128 nan 8.270 nan 0.000 0.440 27 M N 0.284 119.771 119.600 -0.187 0.000 2.117 27 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 27 M C 2.212 178.320 176.300 -0.319 0.000 1.065 27 M CA 1.692 56.878 55.300 -0.190 0.000 1.114 27 M CB -0.225 32.302 32.600 -0.122 0.000 1.361 27 M HN 0.183 nan 8.290 nan 0.000 0.408 28 I N -0.069 120.143 120.570 -0.596 0.000 2.142 28 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 28 I C 2.503 178.503 176.117 -0.195 0.000 1.078 28 I CA 1.477 62.485 61.300 -0.487 0.000 1.343 28 I CB -0.483 37.211 38.000 -0.509 0.000 1.046 28 I HN 0.282 nan 8.210 nan 0.000 0.405 29 E N 1.041 121.145 120.200 -0.160 0.000 2.130 29 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 29 E C 2.018 178.584 176.600 -0.057 0.000 0.998 29 E CA 1.553 57.900 56.400 -0.088 0.000 0.806 29 E CB -0.104 29.551 29.700 -0.075 0.000 0.738 29 E HN 0.421 nan 8.360 nan 0.000 0.459 30 Q N -0.891 118.875 119.800 -0.056 0.000 2.444 30 Q HA 0.117 4.457 4.340 -0.000 0.000 0.206 30 Q C 0.915 176.912 176.000 -0.006 0.000 0.948 30 Q CA 0.747 56.535 55.803 -0.025 0.000 0.946 30 Q CB 0.595 29.321 28.738 -0.019 0.000 1.027 30 Q HN 0.463 nan 8.270 nan 0.000 0.513 31 G N 2.072 110.870 108.800 -0.003 0.000 2.198 31 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 31 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 31 G C -0.126 174.819 174.900 0.075 0.000 1.042 31 G CA 0.141 45.262 45.100 0.035 0.000 0.791 31 G HN 0.337 nan 8.290 nan 0.000 0.502 32 L N 0.693 121.984 121.223 0.114 0.000 2.584 32 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 32 L C 0.591 177.575 176.870 0.191 0.000 1.195 32 L CA 0.194 55.131 54.840 0.162 0.000 0.920 32 L CB 0.220 42.421 42.059 0.235 0.000 1.173 32 L HN 0.183 nan 8.230 nan 0.000 0.489 33 K N 4.061 124.505 120.400 0.074 0.000 2.139 33 K HA 0.658 4.978 4.320 -0.000 0.000 0.243 33 K C 0.811 177.387 176.600 -0.040 0.000 0.983 33 K CA -0.058 56.247 56.287 0.031 0.000 0.890 33 K CB 1.291 33.803 32.500 0.020 0.000 1.090 33 K HN 0.800 nan 8.250 nan 0.000 0.445 34 G N -0.645 108.117 108.800 -0.064 0.000 2.176 34 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 34 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 34 G C -0.022 174.793 174.900 -0.141 0.000 0.979 34 G CA 0.346 45.398 45.100 -0.080 0.000 0.641 34 G HN 0.577 nan 8.290 nan 0.000 0.530 35 V N -2.885 116.875 119.914 -0.257 0.000 3.074 35 V HA 0.890 5.010 4.120 -0.000 0.000 0.314 35 V C -0.202 175.593 176.094 -0.498 0.000 1.117 35 V CA -0.851 61.224 62.300 -0.376 0.000 1.014 35 V CB 2.166 33.702 31.823 -0.480 0.000 1.057 35 V HN 0.414 nan 8.190 nan 0.000 0.438 36 E N 1.603 121.571 120.200 -0.388 0.000 2.156 36 E HA 0.479 4.829 4.350 -0.000 0.000 0.279 36 E C -1.647 174.745 176.600 -0.346 0.000 0.965 36 E CA -0.674 55.543 56.400 -0.304 0.000 0.789 36 E CB 1.211 30.834 29.700 -0.129 0.000 1.098 36 E HN 0.656 nan 8.360 nan 0.000 0.397 37 F N 4.604 124.555 119.950 0.002 0.000 2.408 37 F HA 0.423 4.950 4.527 -0.000 0.000 0.344 37 F C 0.252 176.057 175.800 0.007 0.000 1.112 37 F CA -0.653 57.348 58.000 0.003 0.000 1.096 37 F CB 0.982 39.979 39.000 -0.005 0.000 1.129 37 F HN 0.298 nan 8.300 nan 0.000 0.486 38 I N 3.088 123.776 120.570 0.198 0.000 2.447 38 I HA 0.501 4.671 4.170 -0.000 0.000 0.287 38 I C -0.624 175.554 176.117 0.102 0.000 1.023 38 I CA -0.822 60.548 61.300 0.117 0.000 1.083 38 I CB 1.843 39.888 38.000 0.075 0.000 1.245 38 I HN 0.640 nan 8.210 nan 0.000 0.434 39 A N 8.141 131.004 122.820 0.073 0.000 2.258 39 A HA 0.772 5.092 4.320 -0.000 0.000 0.316 39 A C -0.523 177.083 177.584 0.035 0.000 1.279 39 A CA -0.374 51.692 52.037 0.048 0.000 0.876 39 A CB 0.254 19.272 19.000 0.029 0.000 1.170 39 A HN 0.686 nan 8.150 nan 0.000 0.520 40 I N 2.747 123.336 120.570 0.032 0.000 2.354 40 I HA 0.186 4.356 4.170 -0.000 0.000 0.286 40 I C -0.049 176.078 176.117 0.017 0.000 1.007 40 I CA -0.571 60.744 61.300 0.024 0.000 1.167 40 I CB 1.523 39.538 38.000 0.025 0.000 1.320 40 I HN 0.717 nan 8.210 nan 0.000 0.458 41 N N 3.646 122.353 118.700 0.012 0.000 2.458 41 N HA 0.189 4.929 4.740 -0.000 0.000 0.270 41 N C 0.787 176.301 175.510 0.007 0.000 1.102 41 N CA -0.105 52.950 53.050 0.008 0.000 0.967 41 N CB 0.914 39.404 38.487 0.005 0.000 1.078 41 N HN 0.656 nan 8.380 nan 0.000 0.471 42 T N -1.505 113.053 114.554 0.006 0.000 3.044 42 T HA 0.226 4.576 4.350 -0.000 0.000 0.260 42 T C -0.338 174.364 174.700 0.004 0.000 1.019 42 T CA -0.337 61.767 62.100 0.006 0.000 0.921 42 T CB 0.050 68.923 68.868 0.007 0.000 1.053 42 T HN 0.324 nan 8.240 nan 0.000 0.533 43 D N 1.287 121.688 120.400 0.003 0.000 2.168 43 D HA 0.554 5.193 4.640 -0.000 0.000 0.246 43 D C 1.055 177.356 176.300 0.001 0.000 1.050 43 D CA -0.274 53.727 54.000 0.001 0.000 0.857 43 D CB 2.133 42.933 40.800 0.000 0.000 1.169 43 D HN 0.187 nan 8.370 nan 0.000 0.453 44 A N 2.438 125.259 122.820 0.001 0.000 1.877 44 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 44 A C 1.760 179.344 177.584 0.000 0.000 1.186 44 A CA 1.213 53.250 52.037 0.001 0.000 0.620 44 A CB -0.136 18.864 19.000 0.001 0.000 0.822 44 A HN 0.427 nan 8.150 nan 0.000 0.443 45 Q N -0.808 118.992 119.800 -0.000 0.000 2.432 45 Q HA 0.316 4.656 4.340 -0.000 0.000 0.205 45 Q C 0.297 176.296 176.000 -0.002 0.000 0.945 45 Q CA 0.892 56.694 55.803 -0.001 0.000 0.924 45 Q CB -0.041 28.696 28.738 -0.001 0.000 1.016 45 Q HN 0.623 nan 8.270 nan 0.000 0.503 46 A N 0.447 123.266 122.820 -0.002 0.000 2.572 46 A HA 0.661 4.981 4.320 -0.000 0.000 0.295 46 A C -1.764 175.818 177.584 -0.003 0.000 1.072 46 A CA -0.648 51.388 52.037 -0.003 0.000 0.691 46 A CB 1.492 20.489 19.000 -0.004 0.000 1.291 46 A HN 0.118 nan 8.150 nan 0.000 0.404 47 L N 1.630 122.851 121.223 -0.004 0.000 2.439 47 L HA 0.712 5.052 4.340 -0.000 0.000 0.270 47 L C -1.685 175.181 176.870 -0.006 0.000 0.972 47 L CA -0.521 54.317 54.840 -0.004 0.000 0.836 47 L CB 1.713 43.770 42.059 -0.002 0.000 1.255 47 L HN 0.717 nan 8.230 nan 0.000 0.404 48 L N 5.475 126.694 121.223 -0.007 0.000 2.265 48 L HA 0.528 4.868 4.340 -0.000 0.000 0.288 48 L C -0.101 176.763 176.870 -0.011 0.000 1.058 48 L CA 0.266 55.100 54.840 -0.011 0.000 0.809 48 L CB 0.890 42.941 42.059 -0.013 0.000 1.179 48 L HN 0.745 nan 8.230 nan 0.000 0.429 49 M N 3.140 122.733 119.600 -0.013 0.000 2.202 49 M HA 0.371 4.851 4.480 -0.000 0.000 0.316 49 M C 0.245 176.534 176.300 -0.019 0.000 1.138 49 M CA 0.143 55.435 55.300 -0.012 0.000 1.151 49 M CB 1.293 33.887 32.600 -0.012 0.000 1.422 49 M HN 0.739 nan 8.290 nan 0.000 0.471 50 S N -0.869 114.820 115.700 -0.018 0.000 2.547 50 S HA 0.280 4.750 4.470 -0.000 0.000 0.270 50 S C -1.088 173.498 174.600 -0.024 0.000 1.150 50 S CA -0.809 57.374 58.200 -0.028 0.000 0.850 50 S CB 1.299 64.486 63.200 -0.022 0.000 1.118 50 S HN 0.706 nan 8.310 nan 0.000 0.461 51 D N 1.994 122.370 120.400 -0.040 0.000 2.358 51 D HA 0.337 4.977 4.640 -0.000 0.000 0.224 51 D C 0.771 177.065 176.300 -0.011 0.000 1.123 51 D CA 0.162 54.146 54.000 -0.027 0.000 0.833 51 D CB 0.458 41.233 40.800 -0.040 0.000 0.946 51 D HN 0.684 nan 8.370 nan 0.000 0.505 52 A N 0.833 123.651 122.820 -0.004 0.000 2.555 52 A HA -0.065 4.255 4.320 -0.000 0.000 0.233 52 A C 1.337 178.973 177.584 0.087 0.000 1.060 52 A CA 0.119 52.197 52.037 0.068 0.000 0.759 52 A CB 0.450 19.500 19.000 0.083 0.000 0.995 52 A HN 0.056 nan 8.150 nan 0.000 0.506 53 D N -0.039 120.442 120.400 0.135 0.000 2.116 53 D HA -0.107 4.533 4.640 -0.000 0.000 0.193 53 D C 0.404 176.740 176.300 0.059 0.000 0.998 53 D CA 1.838 55.892 54.000 0.090 0.000 0.836 53 D CB -0.172 40.681 40.800 0.090 0.000 0.951 53 D HN 0.282 nan 8.370 nan 0.000 0.449 54 V N 0.485 120.438 119.914 0.064 0.000 2.656 54 V HA 0.347 4.467 4.120 -0.000 0.000 0.307 54 V C -0.308 175.813 176.094 0.045 0.000 1.051 54 V CA -0.821 61.505 62.300 0.044 0.000 0.893 54 V CB 2.552 34.397 31.823 0.036 0.000 0.999 54 V HN -0.103 nan 8.190 nan 0.000 0.426 55 K N 3.632 124.051 120.400 0.031 0.000 2.427 55 K HA 0.784 5.103 4.320 -0.000 0.000 0.252 55 K C -1.738 174.874 176.600 0.021 0.000 0.931 55 K CA -0.826 55.477 56.287 0.026 0.000 0.793 55 K CB 2.784 35.297 32.500 0.020 0.000 1.211 55 K HN 0.433 nan 8.250 nan 0.000 0.426 56 L N 2.046 123.281 121.223 0.020 0.000 2.409 56 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 56 L C -1.642 175.236 176.870 0.013 0.000 0.980 56 L CA -0.305 54.544 54.840 0.015 0.000 0.826 56 L CB 1.742 43.811 42.059 0.016 0.000 1.268 56 L HN 0.571 nan 8.230 nan 0.000 0.407 57 D N 3.286 123.692 120.400 0.010 0.000 2.473 57 D HA 0.237 4.877 4.640 -0.000 0.000 0.226 57 D C 0.753 177.057 176.300 0.007 0.000 1.089 57 D CA -0.205 53.799 54.000 0.008 0.000 0.883 57 D CB 1.309 42.112 40.800 0.006 0.000 1.029 57 D HN 0.364 nan 8.370 nan 0.000 0.517 58 V N 1.973 121.891 119.914 0.007 0.000 3.541 58 V HA 0.430 4.550 4.120 -0.000 0.000 0.267 58 V C 1.115 177.212 176.094 0.005 0.000 1.213 58 V CA 0.476 62.780 62.300 0.006 0.000 1.149 58 V CB -0.411 31.416 31.823 0.007 0.000 0.822 58 V HN 0.354 nan 8.190 nan 0.000 0.462 71 D N 2.391 122.793 120.400 0.002 0.000 2.193 71 D HA 0.401 5.041 4.640 -0.000 0.000 0.244 71 D C -1.661 174.640 176.300 0.002 0.000 1.064 71 D CA -1.536 52.465 54.000 0.002 0.000 0.845 71 D CB 2.205 43.006 40.800 0.002 0.000 1.148 71 D HN 0.113 nan 8.370 nan 0.000 0.464 72 P HA -0.165 nan 4.420 nan 0.000 0.215 72 P C 1.208 178.509 177.300 0.002 0.000 1.157 72 P CA 0.839 63.940 63.100 0.002 0.000 0.874 72 P CB 0.310 32.010 31.700 0.001 0.000 0.790 73 E N -0.604 119.597 120.200 0.001 0.000 2.118 73 E HA -0.162 4.187 4.350 -0.000 0.000 0.195 73 E C 2.018 178.619 176.600 0.002 0.000 0.992 73 E CA 1.306 57.706 56.400 0.001 0.000 0.804 73 E CB -1.384 28.316 29.700 0.001 0.000 0.741 73 E HN 0.002 nan 8.360 nan 0.000 0.458 74 V N 0.281 120.196 119.914 0.002 0.000 2.295 74 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 74 V C 2.696 178.791 176.094 0.003 0.000 1.049 74 V CA 2.073 64.374 62.300 0.002 0.000 1.024 74 V CB -1.211 30.613 31.823 0.002 0.000 0.648 74 V HN 0.591 nan 8.190 nan 0.000 0.447 75 G N -0.803 107.999 108.800 0.003 0.000 2.404 75 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 75 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 75 G C 1.705 176.608 174.900 0.004 0.000 1.174 75 G CA 0.825 45.928 45.100 0.004 0.000 0.780 75 G HN 0.364 nan 8.290 nan 0.000 0.537 76 R N 0.253 120.755 120.500 0.003 0.000 2.115 76 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 76 R C 2.893 179.195 176.300 0.003 0.000 1.133 76 R CA 2.107 58.209 56.100 0.003 0.000 0.935 76 R CB -0.256 30.045 30.300 0.002 0.000 0.853 76 R HN 0.276 nan 8.270 nan 0.000 0.433 77 K N -0.425 119.977 120.400 0.002 0.000 2.057 77 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 77 K C 2.101 178.703 176.600 0.003 0.000 1.049 77 K CA 1.130 57.418 56.287 0.002 0.000 0.931 77 K CB -0.686 31.815 32.500 0.002 0.000 0.714 77 K HN 0.536 nan 8.250 nan 0.000 0.440 78 A N 0.847 123.669 122.820 0.003 0.000 1.902 78 A HA -0.002 4.317 4.320 -0.000 0.000 0.217 78 A C 2.460 180.047 177.584 0.005 0.000 1.181 78 A CA 1.954 53.994 52.037 0.004 0.000 0.623 78 A CB -0.854 18.148 19.000 0.004 0.000 0.818 78 A HN 0.479 nan 8.150 nan 0.000 0.443 79 A N -0.514 122.309 122.820 0.005 0.000 1.897 79 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 79 A C 1.922 179.509 177.584 0.005 0.000 1.181 79 A CA 1.364 53.404 52.037 0.006 0.000 0.620 79 A CB -0.407 18.597 19.000 0.007 0.000 0.821 79 A HN 0.467 nan 8.150 nan 0.000 0.443 80 E N 0.783 120.985 120.200 0.003 0.000 2.070 80 E HA -0.226 4.123 4.350 -0.000 0.000 0.197 80 E C 1.418 178.019 176.600 0.002 0.000 1.004 80 E CA 1.545 57.947 56.400 0.002 0.000 0.805 80 E CB -0.530 29.171 29.700 0.002 0.000 0.744 80 E HN 0.556 nan 8.360 nan 0.000 0.451 81 D N 0.446 120.847 120.400 0.003 0.000 2.190 81 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 81 D C 1.228 177.530 176.300 0.003 0.000 0.992 81 D CA 1.343 55.344 54.000 0.002 0.000 0.854 81 D CB -0.084 40.717 40.800 0.003 0.000 0.936 81 D HN 0.174 nan 8.370 nan 0.000 0.462 82 A N 0.553 123.375 122.820 0.004 0.000 2.545 82 A HA 0.062 4.382 4.320 -0.000 0.000 0.277 82 A C 1.777 179.364 177.584 0.004 0.000 1.301 82 A CA -0.193 51.847 52.037 0.004 0.000 0.935 82 A CB -0.210 18.794 19.000 0.006 0.000 1.093 82 A HN 0.212 nan 8.150 nan 0.000 0.519 83 K N 0.055 120.457 120.400 0.003 0.000 2.103 83 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 83 K C 0.540 177.142 176.600 0.003 0.000 1.048 83 K CA 1.812 58.100 56.287 0.003 0.000 0.930 83 K CB -0.299 32.202 32.500 0.002 0.000 0.716 83 K HN 0.208 nan 8.250 nan 0.000 0.444 84 D N 1.456 121.857 120.400 0.002 0.000 2.117 84 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 84 D C 1.795 178.096 176.300 0.003 0.000 0.987 84 D CA 1.495 55.496 54.000 0.002 0.000 0.829 84 D CB -0.149 40.652 40.800 0.001 0.000 0.961 84 D HN 0.448 nan 8.370 nan 0.000 0.460 85 E N 0.274 120.476 120.200 0.004 0.000 2.107 85 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 85 E C 2.276 178.880 176.600 0.006 0.000 0.982 85 E CA 0.264 56.667 56.400 0.005 0.000 0.809 85 E CB -0.086 29.617 29.700 0.005 0.000 0.756 85 E HN 0.297 nan 8.360 nan 0.000 0.459 86 I N 1.093 121.667 120.570 0.007 0.000 2.179 86 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 86 I C 2.575 178.696 176.117 0.006 0.000 1.088 86 I CA 1.405 62.710 61.300 0.008 0.000 1.357 86 I CB -0.228 37.778 38.000 0.009 0.000 1.051 86 I HN 0.150 nan 8.210 nan 0.000 0.409 87 E N 1.003 121.205 120.200 0.003 0.000 2.097 87 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 87 E C 1.955 178.555 176.600 -0.000 0.000 1.000 87 E CA 1.421 57.822 56.400 0.001 0.000 0.804 87 E CB 0.107 29.806 29.700 -0.000 0.000 0.740 87 E HN 0.385 nan 8.360 nan 0.000 0.454 88 E N 0.261 120.462 120.200 0.001 0.000 2.208 88 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 88 E C 2.215 178.815 176.600 0.000 0.000 0.988 88 E CA 0.441 56.841 56.400 -0.000 0.000 0.828 88 E CB -0.030 29.670 29.700 0.001 0.000 0.763 88 E HN 0.438 nan 8.360 nan 0.000 0.478 89 L N 0.126 121.351 121.223 0.003 0.000 2.156 89 L HA -0.063 4.276 4.340 -0.000 0.000 0.208 89 L C 2.270 179.141 176.870 0.002 0.000 1.095 89 L CA 0.720 55.562 54.840 0.005 0.000 0.770 89 L CB -0.172 41.894 42.059 0.011 0.000 0.914 89 L HN 0.108 nan 8.230 nan 0.000 0.439 90 L N -0.798 120.426 121.223 0.001 0.000 2.416 90 L HA 0.035 4.375 4.340 -0.000 0.000 0.216 90 L C 1.423 178.287 176.870 -0.010 0.000 1.098 90 L CA -0.140 54.699 54.840 -0.003 0.000 0.840 90 L CB -0.151 41.909 42.059 0.001 0.000 0.981 90 L HN 0.197 nan 8.230 nan 0.000 0.462 91 R N 0.994 121.488 120.500 -0.010 0.000 2.537 91 R HA 0.103 4.443 4.340 -0.000 0.000 0.281 91 R C 0.953 177.241 176.300 -0.020 0.000 0.988 91 R CA 1.225 57.317 56.100 -0.013 0.000 1.077 91 R CB 0.171 30.465 30.300 -0.010 0.000 0.932 91 R HN 0.300 nan 8.270 nan 0.000 0.409 92 G N 1.818 110.602 108.800 -0.026 0.000 2.194 92 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.236 92 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.236 92 G C 0.038 174.906 174.900 -0.054 0.000 0.987 92 G CA -0.048 45.030 45.100 -0.037 0.000 0.635 92 G HN 0.972 nan 8.290 nan 0.000 0.520 93 A N 0.421 123.213 122.820 -0.048 0.000 2.401 93 A HA 0.590 4.910 4.320 -0.000 0.000 0.259 93 A C 1.066 178.606 177.584 -0.074 0.000 1.103 93 A CA 0.636 52.637 52.037 -0.061 0.000 0.789 93 A CB 0.376 19.354 19.000 -0.036 0.000 1.035 93 A HN 0.194 nan 8.150 nan 0.000 0.491 94 D N 1.083 121.403 120.400 -0.133 0.000 2.213 94 D HA 0.048 4.688 4.640 -0.000 0.000 0.205 94 D C 0.290 176.585 176.300 -0.008 0.000 0.961 94 D CA 1.193 55.105 54.000 -0.147 0.000 0.853 94 D CB 0.224 40.738 40.800 -0.476 0.000 0.967 94 D HN 0.599 nan 8.370 nan 0.000 0.496 95 M N 0.977 120.560 119.600 -0.028 0.000 2.386 95 M HA 0.306 4.786 4.480 -0.000 0.000 0.293 95 M C -2.115 174.191 176.300 0.010 0.000 1.120 95 M CA -0.524 54.802 55.300 0.043 0.000 0.909 95 M CB 3.062 35.752 32.600 0.149 0.000 1.661 95 M HN -0.408 nan 8.290 nan 0.000 0.452 96 V N 4.926 124.810 119.914 -0.050 0.000 2.482 96 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 96 V C -1.088 174.959 176.094 -0.078 0.000 1.026 96 V CA -0.523 61.773 62.300 -0.007 0.000 0.856 96 V CB 1.634 33.453 31.823 -0.008 0.000 1.001 96 V HN 0.699 nan 8.190 nan 0.000 0.424 97 F N 3.600 123.557 119.950 0.012 0.000 2.385 97 F HA 0.674 5.201 4.527 -0.000 0.000 0.336 97 F C 0.240 176.054 175.800 0.023 0.000 1.100 97 F CA -0.435 57.577 58.000 0.021 0.000 1.116 97 F CB 1.834 40.850 39.000 0.026 0.000 1.166 97 F HN 0.178 nan 8.300 nan 0.000 0.511 98 V N 1.985 122.009 119.914 0.183 0.000 2.588 98 V HA 0.640 4.760 4.120 -0.000 0.000 0.304 98 V C -0.389 175.777 176.094 0.119 0.000 1.042 98 V CA -0.572 61.800 62.300 0.119 0.000 0.877 98 V CB 1.997 33.855 31.823 0.059 0.000 0.996 98 V HN 0.805 nan 8.190 nan 0.000 0.425 99 T N 2.520 117.134 114.554 0.099 0.000 2.923 99 T HA 0.635 4.985 4.350 -0.000 0.000 0.311 99 T C 0.402 175.132 174.700 0.049 0.000 1.183 99 T CA 0.446 62.590 62.100 0.074 0.000 1.020 99 T CB 1.931 70.848 68.868 0.082 0.000 1.165 99 T HN 0.858 nan 8.240 nan 0.000 0.482 100 A N 2.321 125.161 122.820 0.034 0.000 2.308 100 A HA 0.662 4.982 4.320 -0.000 0.000 0.217 100 A C 1.485 179.079 177.584 0.017 0.000 1.216 100 A CA 0.957 53.007 52.037 0.022 0.000 0.864 100 A CB -1.155 17.854 19.000 0.015 0.000 0.902 100 A HN 1.951 nan 8.150 nan 0.000 0.499 101 G N 0.027 108.839 108.800 0.021 0.000 2.569 101 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.259 101 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.259 101 G C -0.361 174.544 174.900 0.008 0.000 1.263 101 G CA -0.006 45.103 45.100 0.015 0.000 0.928 101 G HN 0.445 nan 8.290 nan 0.000 0.572 102 E N 1.254 121.459 120.200 0.009 0.000 2.374 102 E HA 0.503 4.853 4.350 -0.000 0.000 0.260 102 E C 0.949 177.551 176.600 0.005 0.000 1.101 102 E CA 0.601 57.008 56.400 0.011 0.000 0.907 102 E CB 0.450 30.167 29.700 0.030 0.000 1.014 102 E HN 2.296 nan 8.360 nan 0.000 0.427 103 G N 0.260 109.066 108.800 0.009 0.000 2.870 103 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.685 103 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.685 103 G C 0.424 175.326 174.900 0.002 0.000 1.556 103 G CA -0.376 44.728 45.100 0.006 0.000 1.042 103 G HN 0.668 nan 8.290 nan 0.000 0.592 104 G N -0.208 108.594 108.800 0.003 0.000 2.666 104 G HA2 0.993 4.953 3.960 -0.000 0.000 0.207 104 G HA3 0.993 4.953 3.960 -0.000 0.000 0.207 104 G C 1.081 175.982 174.900 0.002 0.000 1.481 104 G CA 0.996 46.097 45.100 0.002 0.000 1.071 104 G HN 2.752 nan 8.290 nan 0.000 0.572 105 G N -2.560 106.241 108.800 0.002 0.000 2.362 105 G HA2 0.213 4.173 3.960 -0.000 0.000 0.517 105 G HA3 0.213 4.173 3.960 -0.000 0.000 0.517 105 G C 0.975 175.877 174.900 0.002 0.000 1.256 105 G CA 0.766 45.867 45.100 0.002 0.000 1.027 105 G HN 1.534 nan 8.290 nan 0.000 0.491 106 T N -1.383 113.172 114.554 0.003 0.000 2.881 106 T HA 0.145 4.495 4.350 -0.000 0.000 0.270 106 T C 2.510 177.213 174.700 0.005 0.000 1.068 106 T CA 2.096 64.198 62.100 0.003 0.000 1.131 106 T CB -0.480 68.390 68.868 0.003 0.000 0.871 106 T HN 1.861 nan 8.240 nan 0.000 0.479 107 G N 2.012 110.816 108.800 0.006 0.000 2.432 107 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 107 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 107 G C 1.832 176.737 174.900 0.009 0.000 1.135 107 G CA 1.430 46.535 45.100 0.009 0.000 0.767 107 G HN 0.682 nan 8.290 nan 0.000 0.550 108 T N -1.723 112.835 114.554 0.006 0.000 2.962 108 T HA 0.131 4.480 4.350 -0.000 0.000 0.270 108 T C 2.311 177.013 174.700 0.004 0.000 1.088 108 T CA 1.423 63.526 62.100 0.005 0.000 1.127 108 T CB -0.080 68.789 68.868 0.002 0.000 0.883 108 T HN 0.190 nan 8.240 nan 0.000 0.493 109 G N 0.826 109.628 108.800 0.004 0.000 2.453 109 G HA2 0.267 4.227 3.960 -0.000 0.000 0.215 109 G HA3 0.267 4.227 3.960 -0.000 0.000 0.215 109 G C 1.597 176.500 174.900 0.005 0.000 1.147 109 G CA 0.363 45.465 45.100 0.003 0.000 0.802 109 G HN 0.593 nan 8.290 nan 0.000 0.535 110 G N 1.023 109.827 108.800 0.007 0.000 2.408 110 G HA2 0.171 4.130 3.960 -0.000 0.000 0.215 110 G HA3 0.171 4.130 3.960 -0.000 0.000 0.215 110 G C 2.021 176.928 174.900 0.011 0.000 1.156 110 G CA 1.326 46.431 45.100 0.009 0.000 0.793 110 G HN 0.535 nan 8.290 nan 0.000 0.535 111 A N 1.956 124.784 122.820 0.013 0.000 1.884 111 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 111 A C 0.735 178.326 177.584 0.011 0.000 1.197 111 A CA 2.226 54.273 52.037 0.016 0.000 0.637 111 A CB -1.352 17.659 19.000 0.018 0.000 0.827 111 A HN 0.387 nan 8.150 nan 0.000 0.450 112 P HA -0.073 nan 4.420 nan 0.000 0.218 112 P C 1.526 178.828 177.300 0.002 0.000 1.149 112 P CA 1.202 64.304 63.100 0.002 0.000 0.817 112 P CB -0.112 31.588 31.700 0.000 0.000 0.785 113 V N -0.539 119.377 119.914 0.004 0.000 2.307 113 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 113 V C 2.427 178.524 176.094 0.004 0.000 1.045 113 V CA 1.726 64.028 62.300 0.003 0.000 1.024 113 V CB -1.263 30.562 31.823 0.004 0.000 0.651 113 V HN -0.027 nan 8.190 nan 0.000 0.449 114 V N 0.377 120.296 119.914 0.008 0.000 2.343 114 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 114 V C 2.718 178.816 176.094 0.006 0.000 1.051 114 V CA 1.947 64.254 62.300 0.011 0.000 1.036 114 V CB -1.140 30.695 31.823 0.019 0.000 0.654 114 V HN 0.549 nan 8.190 nan 0.000 0.451 115 A N 0.751 123.574 122.820 0.004 0.000 1.877 115 A HA -0.238 4.081 4.320 -0.000 0.000 0.216 115 A C 2.605 180.184 177.584 -0.009 0.000 1.186 115 A CA 2.461 54.495 52.037 -0.004 0.000 0.620 115 A CB -0.933 18.063 19.000 -0.006 0.000 0.822 115 A HN 0.673 nan 8.150 nan 0.000 0.443 116 S N 0.026 115.722 115.700 -0.006 0.000 2.382 116 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 116 S C 1.874 176.470 174.600 -0.006 0.000 1.027 116 S CA 1.541 59.736 58.200 -0.007 0.000 0.991 116 S CB -0.767 62.430 63.200 -0.006 0.000 0.823 116 S HN 0.445 nan 8.310 nan 0.000 0.469 117 I N 2.315 122.883 120.570 -0.004 0.000 2.226 117 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 117 I C 3.079 179.193 176.117 -0.005 0.000 1.100 117 I CA 1.122 62.421 61.300 -0.003 0.000 1.374 117 I CB -0.659 37.341 38.000 -0.000 0.000 1.057 117 I HN 0.447 nan 8.210 nan 0.000 0.413 118 A N 0.495 123.311 122.820 -0.006 0.000 1.883 118 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 118 A C 2.474 180.050 177.584 -0.014 0.000 1.186 118 A CA 1.656 53.687 52.037 -0.010 0.000 0.624 118 A CB -0.597 18.396 19.000 -0.012 0.000 0.822 118 A HN 0.294 nan 8.150 nan 0.000 0.444 119 R N -0.708 119.782 120.500 -0.016 0.000 2.075 119 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 119 R C 2.539 178.831 176.300 -0.013 0.000 1.126 119 R CA 1.693 57.782 56.100 -0.018 0.000 0.963 119 R CB -0.263 30.025 30.300 -0.021 0.000 0.858 119 R HN 0.507 nan 8.270 nan 0.000 0.435 120 K N 0.653 121.047 120.400 -0.010 0.000 2.362 120 K HA -0.052 4.268 4.320 -0.000 0.000 0.200 120 K C 1.803 178.398 176.600 -0.008 0.000 1.046 120 K CA 1.116 57.398 56.287 -0.008 0.000 0.952 120 K CB -0.586 31.910 32.500 -0.007 0.000 0.753 120 K HN 0.212 nan 8.250 nan 0.000 0.466 121 L N -1.103 120.116 121.223 -0.008 0.000 2.599 121 L HA 0.198 4.538 4.340 -0.000 0.000 0.230 121 L C 1.911 178.776 176.870 -0.008 0.000 1.141 121 L CA 0.668 55.503 54.840 -0.008 0.000 0.877 121 L CB 0.258 42.312 42.059 -0.009 0.000 1.009 121 L HN 0.612 nan 8.230 nan 0.000 0.447 122 G N -0.466 108.329 108.800 -0.007 0.000 2.213 122 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 122 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 122 G C 0.469 175.371 174.900 0.004 0.000 0.991 122 G CA -0.077 45.022 45.100 -0.003 0.000 0.629 122 G HN 0.474 nan 8.290 nan 0.000 0.517 123 A N 0.386 123.205 122.820 -0.000 0.000 2.425 123 A HA 0.652 4.972 4.320 -0.000 0.000 0.249 123 A C 0.546 178.134 177.584 0.007 0.000 1.084 123 A CA 0.265 52.308 52.037 0.009 0.000 0.781 123 A CB 0.583 19.579 19.000 -0.007 0.000 1.019 123 A HN 1.625 nan 8.150 nan 0.000 0.490 124 L N 2.499 123.748 121.223 0.043 0.000 2.477 124 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 124 L C 0.115 176.934 176.870 -0.086 0.000 1.157 124 L CA 1.159 55.993 54.840 -0.010 0.000 0.889 124 L CB 0.161 42.236 42.059 0.026 0.000 1.158 124 L HN 0.583 nan 8.230 nan 0.000 0.473 125 T N 5.366 119.856 114.554 -0.107 0.000 2.788 125 T HA 0.480 4.829 4.350 -0.000 0.000 0.296 125 T C -0.490 174.101 174.700 -0.183 0.000 1.009 125 T CA -0.374 61.649 62.100 -0.129 0.000 0.949 125 T CB 0.901 69.726 68.868 -0.072 0.000 0.946 125 T HN 0.343 nan 8.240 nan 0.000 0.453 126 V N 3.473 123.198 119.914 -0.316 0.000 2.334 126 V HA 0.628 4.747 4.120 -0.000 0.000 0.281 126 V C 0.890 176.889 176.094 -0.158 0.000 1.016 126 V CA -0.830 61.268 62.300 -0.337 0.000 0.832 126 V CB 1.432 32.831 31.823 -0.706 0.000 0.999 126 V HN 0.969 nan 8.190 nan 0.000 0.439 127 G N 3.518 112.288 108.800 -0.050 0.000 2.476 127 G HA2 0.565 4.525 3.960 -0.000 0.000 0.269 127 G HA3 0.565 4.525 3.960 -0.000 0.000 0.269 127 G C -0.823 174.121 174.900 0.073 0.000 1.195 127 G CA -0.328 44.786 45.100 0.024 0.000 0.843 127 G HN 0.583 nan 8.290 nan 0.000 0.545 128 V N 0.961 120.935 119.914 0.100 0.000 2.577 128 V HA 0.613 4.732 4.120 -0.000 0.000 0.303 128 V C -0.512 175.613 176.094 0.052 0.000 1.042 128 V CA -0.765 61.592 62.300 0.094 0.000 0.872 128 V CB 1.322 33.227 31.823 0.137 0.000 0.998 128 V HN 0.651 nan 8.190 nan 0.000 0.423 129 V N 4.402 124.332 119.914 0.027 0.000 2.971 129 V HA 0.837 4.957 4.120 -0.000 0.000 0.309 129 V C -0.134 175.953 176.094 -0.012 0.000 1.130 129 V CA -0.009 62.296 62.300 0.007 0.000 0.964 129 V CB 2.954 34.778 31.823 0.001 0.000 1.029 129 V HN 1.068 nan 8.190 nan 0.000 0.427 130 T N 3.616 118.154 114.554 -0.027 0.000 2.888 130 T HA 0.674 5.023 4.350 -0.000 0.000 0.284 130 T C -0.428 174.227 174.700 -0.076 0.000 1.017 130 T CA -0.788 61.275 62.100 -0.060 0.000 1.022 130 T CB 1.416 70.242 68.868 -0.070 0.000 1.013 130 T HN 0.726 nan 8.240 nan 0.000 0.465 131 R N 2.653 123.086 120.500 -0.111 0.000 2.265 131 R HA 0.425 4.765 4.340 -0.000 0.000 0.319 131 R C -2.430 173.760 176.300 -0.183 0.000 1.006 131 R CA -2.107 53.925 56.100 -0.115 0.000 0.880 131 R CB 0.960 31.197 30.300 -0.106 0.000 1.077 131 R HN 0.522 nan 8.270 nan 0.000 0.454 132 P HA -0.096 nan 4.420 nan 0.000 0.269 132 P C -0.463 176.687 177.300 -0.250 0.000 1.217 132 P CA 0.195 63.200 63.100 -0.159 0.000 0.783 132 P CB 0.408 32.077 31.700 -0.052 0.000 0.898 133 F N 0.008 119.778 119.950 -0.300 0.000 2.553 133 F HA -0.022 4.505 4.527 -0.000 0.000 0.356 133 F C 2.241 177.733 175.800 -0.514 0.000 1.142 133 F CA 0.635 58.306 58.000 -0.549 0.000 1.322 133 F CB -0.318 37.918 39.000 -1.274 0.000 1.126 133 F HN 0.256 nan 8.300 nan 0.000 0.599 134 S N 1.991 117.601 115.700 -0.149 0.000 2.382 134 S HA -0.219 4.251 4.470 -0.000 0.000 0.228 134 S C 1.808 176.390 174.600 -0.030 0.000 1.027 134 S CA 1.372 59.534 58.200 -0.063 0.000 0.991 134 S CB -0.511 62.696 63.200 0.010 0.000 0.823 134 S HN 0.668 nan 8.310 nan 0.000 0.469 135 F N 1.950 121.964 119.950 0.106 0.000 2.583 135 F HA 0.118 4.645 4.527 -0.000 0.000 0.297 135 F C 1.511 177.359 175.800 0.079 0.000 1.131 135 F CA 0.301 58.334 58.000 0.056 0.000 1.467 135 F CB -0.985 38.008 39.000 -0.010 0.000 1.097 135 F HN 0.165 nan 8.300 nan 0.000 0.586 136 E N 0.861 121.095 120.200 0.056 0.000 2.358 136 E HA 0.225 4.575 4.350 -0.000 0.000 0.195 136 E C 1.698 178.370 176.600 0.120 0.000 1.010 136 E CA 0.395 56.893 56.400 0.163 0.000 0.856 136 E CB -0.364 29.388 29.700 0.087 0.000 0.795 136 E HN 0.608 nan 8.360 nan 0.000 0.504 137 G N 1.746 110.596 108.800 0.083 0.000 2.593 137 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.237 137 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.237 137 G C -0.446 174.477 174.900 0.038 0.000 1.312 137 G CA -0.023 45.114 45.100 0.063 0.000 0.896 137 G HN 0.164 nan 8.290 nan 0.000 0.574 138 K N -0.255 120.164 120.400 0.033 0.000 2.561 138 K HA 0.472 4.792 4.320 -0.000 0.000 0.254 138 K C -0.258 176.354 176.600 0.019 0.000 0.942 138 K CA -0.964 55.335 56.287 0.020 0.000 0.818 138 K CB 1.049 33.557 32.500 0.013 0.000 1.306 138 K HN 0.624 nan 8.250 nan 0.000 0.435 139 R N 0.993 121.502 120.500 0.015 0.000 2.549 139 R HA 0.417 4.757 4.340 -0.000 0.000 0.267 139 R C 0.383 176.688 176.300 0.008 0.000 1.045 139 R CA -0.509 55.599 56.100 0.013 0.000 1.115 139 R CB 0.315 30.622 30.300 0.012 0.000 1.121 139 R HN 0.823 nan 8.270 nan 0.000 0.543 140 R N 0.128 120.632 120.500 0.008 0.000 2.811 140 R HA 0.050 4.390 4.340 -0.000 0.000 0.265 140 R C 0.794 177.096 176.300 0.003 0.000 1.026 140 R CA 0.695 56.798 56.100 0.006 0.000 1.142 140 R CB -0.782 29.521 30.300 0.005 0.000 1.027 140 R HN 0.699 nan 8.270 nan 0.000 0.465 141 S N 0.146 115.847 115.700 0.002 0.000 3.382 141 S HA -0.187 4.283 4.470 -0.000 0.000 0.293 141 S C 0.583 175.182 174.600 -0.002 0.000 1.262 141 S CA 1.121 59.321 58.200 0.000 0.000 0.969 141 S CB -1.234 61.966 63.200 0.000 0.000 1.136 141 S HN 1.564 nan 8.310 nan 0.000 0.635 142 N N 0.050 118.749 118.700 -0.001 0.000 2.740 142 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 142 N C 0.793 176.300 175.510 -0.005 0.000 1.062 142 N CA 1.483 54.531 53.050 -0.004 0.000 0.704 142 N CB -1.073 37.410 38.487 -0.006 0.000 0.968 142 N HN 0.980 nan 8.380 nan 0.000 0.547 143 Q N -1.113 118.685 119.800 -0.003 0.000 2.230 143 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 143 Q C 1.851 177.848 176.000 -0.006 0.000 0.963 143 Q CA 1.414 57.215 55.803 -0.003 0.000 0.866 143 Q CB -0.143 28.595 28.738 -0.001 0.000 0.931 143 Q HN 0.430 nan 8.270 nan 0.000 0.452 144 A N 1.465 124.280 122.820 -0.007 0.000 1.877 144 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 144 A C 2.014 179.589 177.584 -0.015 0.000 1.186 144 A CA 1.685 53.715 52.037 -0.012 0.000 0.620 144 A CB -0.667 18.323 19.000 -0.016 0.000 0.822 144 A HN 0.524 nan 8.150 nan 0.000 0.443 145 E N 0.666 120.857 120.200 -0.016 0.000 2.110 145 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 145 E C 1.679 178.271 176.600 -0.014 0.000 0.988 145 E CA 1.581 57.970 56.400 -0.017 0.000 0.804 145 E CB -0.232 29.458 29.700 -0.018 0.000 0.745 145 E HN 0.604 nan 8.360 nan 0.000 0.458 146 N N -0.022 118.672 118.700 -0.011 0.000 2.223 146 N HA -0.097 4.642 4.740 -0.000 0.000 0.185 146 N C 1.778 177.283 175.510 -0.008 0.000 1.016 146 N CA 1.234 54.279 53.050 -0.009 0.000 0.863 146 N CB -0.712 37.771 38.487 -0.007 0.000 0.983 146 N HN 0.326 nan 8.380 nan 0.000 0.429 147 G N 1.619 110.414 108.800 -0.008 0.000 2.421 147 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 147 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 147 G C 1.681 176.577 174.900 -0.007 0.000 1.171 147 G CA 0.333 45.429 45.100 -0.006 0.000 0.775 147 G HN 0.233 nan 8.290 nan 0.000 0.543 148 I N 1.477 122.040 120.570 -0.011 0.000 2.127 148 I HA -0.242 3.927 4.170 -0.000 0.000 0.241 148 I C 3.336 179.446 176.117 -0.012 0.000 1.075 148 I CA 1.161 62.454 61.300 -0.012 0.000 1.334 148 I CB -0.267 37.722 38.000 -0.017 0.000 1.040 148 I HN 0.255 nan 8.210 nan 0.000 0.405 149 A N 0.630 123.442 122.820 -0.014 0.000 1.883 149 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 149 A C 2.518 180.095 177.584 -0.011 0.000 1.186 149 A CA 2.126 54.155 52.037 -0.014 0.000 0.624 149 A CB -0.939 18.052 19.000 -0.015 0.000 0.822 149 A HN 0.467 nan 8.150 nan 0.000 0.444 150 A N -0.906 121.909 122.820 -0.009 0.000 1.898 150 A HA 0.022 4.341 4.320 -0.000 0.000 0.216 150 A C 2.119 179.700 177.584 -0.006 0.000 1.181 150 A CA 1.676 53.709 52.037 -0.007 0.000 0.620 150 A CB -0.556 18.441 19.000 -0.005 0.000 0.819 150 A HN 0.604 nan 8.150 nan 0.000 0.442 151 L N -0.184 121.036 121.223 -0.005 0.000 2.056 151 L HA -0.064 4.275 4.340 -0.000 0.000 0.207 151 L C 2.408 179.273 176.870 -0.008 0.000 1.078 151 L CA 2.036 56.874 54.840 -0.004 0.000 0.749 151 L CB -0.656 41.403 42.059 -0.000 0.000 0.901 151 L HN 0.435 nan 8.230 nan 0.000 0.433 152 R N -0.356 120.138 120.500 -0.009 0.000 2.105 152 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 152 R C 2.115 178.409 176.300 -0.011 0.000 1.135 152 R CA 1.897 57.990 56.100 -0.011 0.000 0.967 152 R CB -0.170 30.123 30.300 -0.012 0.000 0.861 152 R HN 0.522 nan 8.270 nan 0.000 0.442 153 E N -0.568 119.626 120.200 -0.010 0.000 2.268 153 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 153 E C 1.113 177.706 176.600 -0.011 0.000 0.995 153 E CA 1.447 57.842 56.400 -0.010 0.000 0.836 153 E CB 0.235 29.930 29.700 -0.009 0.000 0.763 153 E HN 0.386 nan 8.360 nan 0.000 0.491 154 S N -1.046 114.647 115.700 -0.011 0.000 2.559 154 S HA 0.183 4.652 4.470 -0.000 0.000 0.226 154 S C 0.338 174.927 174.600 -0.019 0.000 1.000 154 S CA -0.538 57.654 58.200 -0.013 0.000 0.948 154 S CB 0.303 63.497 63.200 -0.009 0.000 0.870 154 S HN 0.058 nan 8.310 nan 0.000 0.497 155 C N 2.194 121.480 119.300 -0.022 0.000 2.399 155 C HA 0.454 4.914 4.460 -0.000 0.000 0.348 155 C C 1.508 176.475 174.990 -0.039 0.000 1.183 155 C CA -0.667 58.330 59.018 -0.035 0.000 2.023 155 C CB 1.353 29.071 27.740 -0.036 0.000 2.361 155 C HN 0.430 nan 8.230 nan 0.000 0.521 156 D N 0.624 120.991 120.400 -0.055 0.000 2.077 156 D HA -0.038 4.602 4.640 -0.000 0.000 0.196 156 D C 0.452 176.721 176.300 -0.052 0.000 0.986 156 D CA 1.581 55.547 54.000 -0.056 0.000 0.829 156 D CB 0.092 40.846 40.800 -0.076 0.000 0.983 156 D HN 0.541 nan 8.370 nan 0.000 0.453 157 T N 0.560 115.074 114.554 -0.068 0.000 2.841 157 T HA 0.443 4.793 4.350 -0.000 0.000 0.283 157 T C -0.837 173.838 174.700 -0.041 0.000 1.000 157 T CA -0.591 61.478 62.100 -0.050 0.000 0.977 157 T CB 2.340 71.171 68.868 -0.061 0.000 0.979 157 T HN -0.139 nan 8.240 nan 0.000 0.446 158 L N 4.605 125.818 121.223 -0.017 0.000 2.318 158 L HA 0.592 4.932 4.340 -0.000 0.000 0.277 158 L C -0.873 176.003 176.870 0.009 0.000 1.008 158 L CA -0.554 54.284 54.840 -0.004 0.000 0.846 158 L CB 0.336 42.392 42.059 -0.005 0.000 1.220 158 L HN 0.630 nan 8.230 nan 0.000 0.423 159 I N 5.750 126.336 120.570 0.027 0.000 2.396 159 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 159 I C -0.361 175.770 176.117 0.024 0.000 1.056 159 I CA -0.354 60.967 61.300 0.036 0.000 1.365 159 I CB 1.032 39.074 38.000 0.070 0.000 1.407 159 I HN 0.261 nan 8.210 nan 0.000 0.509 160 V N 8.235 128.154 119.914 0.009 0.000 2.417 160 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 160 V C 0.089 176.174 176.094 -0.016 0.000 1.024 160 V CA -0.457 61.838 62.300 -0.007 0.000 0.861 160 V CB 1.711 33.525 31.823 -0.015 0.000 0.985 160 V HN 0.466 nan 8.190 nan 0.000 0.436 161 I N 7.783 128.335 120.570 -0.031 0.000 2.359 161 I HA 0.337 4.507 4.170 -0.000 0.000 0.284 161 I C -2.275 173.787 176.117 -0.092 0.000 1.018 161 I CA -1.864 59.407 61.300 -0.049 0.000 1.173 161 I CB 2.169 40.143 38.000 -0.044 0.000 1.326 161 I HN 0.427 nan 8.210 nan 0.000 0.462 162 P HA 0.182 nan 4.420 nan 0.000 0.274 162 P C -0.178 177.001 177.300 -0.201 0.000 1.470 162 P CA -0.272 62.752 63.100 -0.127 0.000 1.001 162 P CB 0.689 32.342 31.700 -0.078 0.000 1.332 163 N N 2.495 120.978 118.700 -0.362 0.000 2.192 163 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 163 N C 1.071 176.247 175.510 -0.556 0.000 1.013 163 N CA 1.289 53.928 53.050 -0.685 0.000 0.863 163 N CB -0.460 37.186 38.487 -1.402 0.000 0.990 163 N HN 0.376 nan 8.380 nan 0.000 0.430 164 D N 0.581 120.801 120.400 -0.300 0.000 2.172 164 D HA -0.150 4.489 4.640 -0.000 0.000 0.196 164 D C 1.790 178.118 176.300 0.048 0.000 0.999 164 D CA 0.780 54.780 54.000 0.001 0.000 0.856 164 D CB -0.029 40.768 40.800 -0.004 0.000 0.934 164 D HN 0.173 nan 8.370 nan 0.000 0.453 165 R N 0.173 120.664 120.500 -0.014 0.000 2.189 165 R HA -0.007 4.333 4.340 -0.000 0.000 0.223 165 R C 2.417 178.745 176.300 0.047 0.000 1.092 165 R CA 0.125 56.234 56.100 0.014 0.000 0.989 165 R CB -0.756 29.540 30.300 -0.008 0.000 0.876 165 R HN 0.355 nan 8.270 nan 0.000 0.457 166 L N 0.437 121.700 121.223 0.066 0.000 2.265 166 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 166 L C 2.075 179.030 176.870 0.141 0.000 1.117 166 L CA 0.839 55.748 54.840 0.115 0.000 0.782 166 L CB -0.435 41.733 42.059 0.183 0.000 0.914 166 L HN 0.090 nan 8.230 nan 0.000 0.441 167 L N -0.718 120.606 121.223 0.168 0.000 2.465 167 L HA -0.127 4.213 4.340 -0.000 0.000 0.224 167 L C 1.673 178.586 176.870 0.072 0.000 1.145 167 L CA 0.673 55.587 54.840 0.123 0.000 0.834 167 L CB -0.310 41.835 42.059 0.143 0.000 0.944 167 L HN 0.381 nan 8.230 nan 0.000 0.451 168 Q N -0.712 119.126 119.800 0.064 0.000 2.246 168 Q HA 0.245 4.585 4.340 -0.000 0.000 0.202 168 Q C 0.253 176.276 176.000 0.037 0.000 0.883 168 Q CA -0.013 55.816 55.803 0.043 0.000 0.952 168 Q CB 0.603 29.363 28.738 0.037 0.000 1.078 168 Q HN 0.457 nan 8.270 nan 0.000 0.493 175 S N 3.832 119.479 115.700 -0.089 0.000 2.669 175 S HA 0.593 5.063 4.470 -0.000 0.000 0.270 175 S C 0.838 175.311 174.600 -0.211 0.000 1.225 175 S CA -0.083 58.039 58.200 -0.130 0.000 0.991 175 S CB 1.566 64.713 63.200 -0.089 0.000 0.987 175 S HN 0.965 nan 8.310 nan 0.000 0.552 176 L N 0.957 122.017 121.223 -0.271 0.000 2.046 176 L HA 0.056 4.395 4.340 -0.000 0.000 0.208 176 L C 2.270 178.931 176.870 -0.348 0.000 1.077 176 L CA 1.964 56.541 54.840 -0.439 0.000 0.747 176 L CB -1.084 40.730 42.059 -0.409 0.000 0.896 176 L HN 0.819 nan 8.230 nan 0.000 0.432 177 M N -0.661 118.874 119.600 -0.109 0.000 2.132 177 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 177 M C 1.899 178.220 176.300 0.035 0.000 1.065 177 M CA 1.466 56.793 55.300 0.045 0.000 1.122 177 M CB -0.834 31.796 32.600 0.051 0.000 1.365 177 M HN 0.164 nan 8.290 nan 0.000 0.411 178 D N 0.216 120.603 120.400 -0.021 0.000 2.123 178 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 178 D C 2.060 178.365 176.300 0.009 0.000 0.992 178 D CA 1.749 55.750 54.000 0.002 0.000 0.833 178 D CB -0.272 40.519 40.800 -0.016 0.000 0.954 178 D HN 0.361 nan 8.370 nan 0.000 0.455 179 A N 0.391 123.146 122.820 -0.107 0.000 1.883 179 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 179 A C 2.236 179.886 177.584 0.109 0.000 1.186 179 A CA 1.188 53.161 52.037 -0.107 0.000 0.624 179 A CB -1.189 17.492 19.000 -0.530 0.000 0.822 179 A HN 0.230 nan 8.150 nan 0.000 0.444 180 F N -0.568 119.455 119.950 0.123 0.000 2.171 180 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 180 F C 2.746 178.639 175.800 0.155 0.000 1.090 180 F CA 1.284 59.403 58.000 0.199 0.000 1.293 180 F CB -0.157 38.915 39.000 0.120 0.000 1.013 180 F HN 0.122 nan 8.300 nan 0.000 0.486 181 R N 0.035 120.703 120.500 0.280 0.000 2.066 181 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 181 R C 2.310 178.700 176.300 0.150 0.000 1.131 181 R CA 1.642 57.847 56.100 0.175 0.000 0.955 181 R CB -0.597 29.772 30.300 0.115 0.000 0.851 181 R HN 0.157 nan 8.270 nan 0.000 0.432 182 S N 0.943 116.734 115.700 0.152 0.000 2.382 182 S HA -0.162 4.307 4.470 -0.000 0.000 0.228 182 S C 2.107 176.791 174.600 0.139 0.000 1.027 182 S CA 1.203 59.480 58.200 0.129 0.000 0.991 182 S CB -0.233 63.044 63.200 0.128 0.000 0.823 182 S HN 0.469 nan 8.310 nan 0.000 0.469 183 A N 2.440 125.389 122.820 0.215 0.000 1.883 183 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 183 A C 1.874 179.521 177.584 0.104 0.000 1.186 183 A CA 1.833 53.964 52.037 0.157 0.000 0.624 183 A CB -0.780 18.361 19.000 0.235 0.000 0.822 183 A HN 0.370 nan 8.150 nan 0.000 0.444 184 D N -0.371 120.105 120.400 0.126 0.000 2.117 184 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 184 D C 1.920 178.250 176.300 0.050 0.000 0.987 184 D CA 1.522 55.568 54.000 0.077 0.000 0.829 184 D CB -0.447 40.397 40.800 0.073 0.000 0.961 184 D HN 0.664 nan 8.370 nan 0.000 0.460 185 E N 0.226 120.461 120.200 0.057 0.000 2.110 185 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 185 E C 2.335 178.952 176.600 0.029 0.000 0.988 185 E CA 1.150 57.574 56.400 0.039 0.000 0.804 185 E CB 0.083 29.809 29.700 0.043 0.000 0.745 185 E HN 0.279 nan 8.360 nan 0.000 0.458 186 V N -0.509 119.425 119.914 0.033 0.000 2.591 186 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 186 V C 2.217 178.319 176.094 0.013 0.000 1.053 186 V CA 0.932 63.245 62.300 0.021 0.000 1.068 186 V CB -0.474 31.360 31.823 0.018 0.000 0.689 186 V HN 0.133 nan 8.190 nan 0.000 0.462 187 L N 0.423 121.655 121.223 0.014 0.000 2.012 187 L HA -0.084 4.255 4.340 -0.000 0.000 0.210 187 L C 2.334 179.205 176.870 0.003 0.000 1.073 187 L CA 2.500 57.346 54.840 0.010 0.000 0.748 187 L CB -0.770 41.297 42.059 0.014 0.000 0.891 187 L HN 0.410 nan 8.230 nan 0.000 0.431 188 L N -0.032 121.191 121.223 0.001 0.000 1.990 188 L HA -0.306 4.034 4.340 -0.000 0.000 0.213 188 L C 2.288 179.143 176.870 -0.025 0.000 1.072 188 L CA 2.451 57.284 54.840 -0.012 0.000 0.755 188 L CB -0.812 41.243 42.059 -0.007 0.000 0.889 188 L HN 0.543 nan 8.230 nan 0.000 0.432 189 N N -1.036 117.657 118.700 -0.011 0.000 2.205 189 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 189 N C 1.821 177.323 175.510 -0.014 0.000 1.015 189 N CA 0.864 53.907 53.050 -0.012 0.000 0.862 189 N CB -0.317 38.170 38.487 0.001 0.000 0.986 189 N HN 0.547 nan 8.380 nan 0.000 0.429 190 G N -0.285 108.513 108.800 -0.003 0.000 2.499 190 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.221 190 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.221 190 G C 1.313 176.209 174.900 -0.008 0.000 1.109 190 G CA 0.996 46.110 45.100 0.022 0.000 0.749 190 G HN 0.235 nan 8.290 nan 0.000 0.568 191 V N -0.805 119.032 119.914 -0.129 0.000 2.743 191 V HA 0.025 4.145 4.120 -0.000 0.000 0.237 191 V C 2.454 178.360 176.094 -0.313 0.000 1.113 191 V CA 1.317 63.365 62.300 -0.419 0.000 1.141 191 V CB -0.037 31.505 31.823 -0.469 0.000 0.873 191 V HN 0.392 nan 8.190 nan 0.000 0.486 192 Q N 0.596 120.300 119.800 -0.160 0.000 2.124 192 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 192 Q C 2.122 178.086 176.000 -0.060 0.000 0.977 192 Q CA 1.934 57.679 55.803 -0.097 0.000 0.850 192 Q CB -0.359 28.351 28.738 -0.046 0.000 0.901 192 Q HN 0.651 nan 8.270 nan 0.000 0.429 193 G N 0.950 109.727 108.800 -0.038 0.000 2.418 193 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 193 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 193 G C 1.359 176.257 174.900 -0.003 0.000 1.158 193 G CA 0.932 46.022 45.100 -0.016 0.000 0.771 193 G HN 0.348 nan 8.290 nan 0.000 0.545 194 I N 1.231 121.817 120.570 0.026 0.000 2.193 194 I HA -0.125 4.045 4.170 -0.000 0.000 0.240 194 I C 3.277 179.444 176.117 0.083 0.000 1.084 194 I CA 1.710 63.065 61.300 0.091 0.000 1.365 194 I CB -0.653 37.492 38.000 0.242 0.000 1.064 194 I HN 0.315 nan 8.210 nan 0.000 0.410 195 T N -1.664 112.900 114.554 0.017 0.000 2.720 195 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 195 T C 1.588 176.291 174.700 0.006 0.000 1.037 195 T CA 1.714 63.821 62.100 0.011 0.000 1.144 195 T CB -0.529 68.279 68.868 -0.101 0.000 0.864 195 T HN 0.174 nan 8.240 nan 0.000 0.444 196 D N 1.179 121.570 120.400 -0.015 0.000 2.123 196 D HA -0.028 4.612 4.640 -0.000 0.000 0.196 196 D C 2.044 178.340 176.300 -0.007 0.000 0.992 196 D CA 0.710 54.702 54.000 -0.013 0.000 0.833 196 D CB -0.662 40.127 40.800 -0.019 0.000 0.954 196 D HN 0.267 nan 8.370 nan 0.000 0.455 197 L N 0.898 122.117 121.223 -0.008 0.000 2.021 197 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 197 L C 2.103 178.983 176.870 0.016 0.000 1.074 197 L CA 1.612 56.443 54.840 -0.016 0.000 0.760 197 L CB -0.580 41.469 42.059 -0.017 0.000 0.889 197 L HN 0.073 nan 8.230 nan 0.000 0.433 198 I N -1.466 119.136 120.570 0.053 0.000 2.233 198 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 198 I C 2.172 178.320 176.117 0.052 0.000 1.093 198 I CA 1.620 62.972 61.300 0.087 0.000 1.380 198 I CB -0.703 37.395 38.000 0.163 0.000 1.067 198 I HN 0.465 nan 8.210 nan 0.000 0.413 199 T N -3.587 110.983 114.554 0.027 0.000 3.037 199 T HA 0.111 4.460 4.350 -0.000 0.000 0.251 199 T C 0.737 175.439 174.700 0.003 0.000 1.079 199 T CA 0.087 62.191 62.100 0.007 0.000 1.067 199 T CB -0.111 68.749 68.868 -0.013 0.000 0.948 199 T HN 0.037 nan 8.240 nan 0.000 0.496 200 T N 4.152 118.708 114.554 0.003 0.000 2.786 200 T HA 0.543 4.893 4.350 -0.000 0.000 0.283 200 T C -2.896 171.805 174.700 0.001 0.000 0.992 200 T CA -1.287 60.813 62.100 0.000 0.000 0.954 200 T CB 1.672 70.538 68.868 -0.004 0.000 0.934 200 T HN 0.049 nan 8.240 nan 0.000 0.440 201 P HA 0.381 nan 4.420 nan 0.000 0.266 201 P C 0.117 177.419 177.300 0.002 0.000 1.195 201 P CA 0.113 63.217 63.100 0.008 0.000 0.768 201 P CB 0.562 32.268 31.700 0.011 0.000 0.838 202 G N 0.704 109.505 108.800 0.001 0.000 2.949 202 G HA2 0.330 4.290 3.960 -0.000 0.000 0.285 202 G HA3 0.330 4.290 3.960 -0.000 0.000 0.285 202 G C 0.120 175.028 174.900 0.014 0.000 1.395 202 G CA -0.664 44.436 45.100 0.000 0.000 0.901 202 G HN 0.490 nan 8.290 nan 0.000 0.519 203 L N -0.342 120.895 121.223 0.023 0.000 2.042 203 L HA 0.174 4.514 4.340 -0.000 0.000 0.210 203 L C 0.758 177.657 176.870 0.049 0.000 1.076 203 L CA 1.480 56.343 54.840 0.039 0.000 0.749 203 L CB -0.274 41.815 42.059 0.051 0.000 0.893 203 L HN 0.306 nan 8.230 nan 0.000 0.432 204 I N 1.629 122.229 120.570 0.050 0.000 2.328 204 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 204 I C -0.479 175.651 176.117 0.022 0.000 1.012 204 I CA -0.348 60.992 61.300 0.067 0.000 1.195 204 I CB 0.141 38.233 38.000 0.153 0.000 1.350 204 I HN 0.195 nan 8.210 nan 0.000 0.464 205 N N 5.154 123.875 118.700 0.035 0.000 2.472 205 N HA 0.626 5.366 4.740 -0.000 0.000 0.289 205 N C -0.288 175.245 175.510 0.039 0.000 1.156 205 N CA -0.374 52.692 53.050 0.027 0.000 0.940 205 N CB 3.116 41.624 38.487 0.034 0.000 1.200 205 N HN 0.412 nan 8.380 nan 0.000 0.511 206 V N -2.112 117.824 119.914 0.037 0.000 3.019 206 V HA 0.500 4.619 4.120 -0.000 0.000 0.317 206 V C -0.215 175.917 176.094 0.064 0.000 1.094 206 V CA -0.931 61.396 62.300 0.045 0.000 1.000 206 V CB 2.051 33.891 31.823 0.028 0.000 1.060 206 V HN 0.450 nan 8.190 nan 0.000 0.443 207 D N 0.991 121.425 120.400 0.057 0.000 2.280 207 D HA 0.229 4.869 4.640 -0.000 0.000 0.243 207 D C 0.563 176.906 176.300 0.071 0.000 1.129 207 D CA -0.398 53.647 54.000 0.074 0.000 0.848 207 D CB 1.195 42.024 40.800 0.048 0.000 1.107 207 D HN 0.618 nan 8.370 nan 0.000 0.471 208 F N 4.342 124.290 119.950 -0.003 0.000 2.147 208 F HA -0.269 4.258 4.527 -0.000 0.000 0.301 208 F C 1.958 177.744 175.800 -0.022 0.000 1.084 208 F CA 2.037 60.028 58.000 -0.015 0.000 1.268 208 F CB -0.005 38.977 39.000 -0.029 0.000 1.009 208 F HN 0.489 nan 8.300 nan 0.000 0.486 209 A N -0.023 122.766 122.820 -0.052 0.000 1.940 209 A HA -0.216 4.103 4.320 -0.000 0.000 0.219 209 A C 1.977 179.441 177.584 -0.200 0.000 1.176 209 A CA 2.038 53.996 52.037 -0.132 0.000 0.631 209 A CB -0.933 18.062 19.000 -0.008 0.000 0.814 209 A HN 0.485 nan 8.150 nan 0.000 0.446 210 D N -0.261 120.053 120.400 -0.142 0.000 2.117 210 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 210 D C 2.101 178.294 176.300 -0.178 0.000 0.982 210 D CA 1.313 55.241 54.000 -0.121 0.000 0.828 210 D CB -0.557 40.210 40.800 -0.055 0.000 0.967 210 D HN 0.227 nan 8.370 nan 0.000 0.464 211 V N 1.273 121.036 119.914 -0.253 0.000 2.282 211 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 211 V C 2.483 178.356 176.094 -0.369 0.000 1.057 211 V CA 1.814 63.938 62.300 -0.294 0.000 1.032 211 V CB -0.451 31.171 31.823 -0.334 0.000 0.645 211 V HN 0.172 nan 8.190 nan 0.000 0.447 212 K N -0.015 120.039 120.400 -0.578 0.000 2.148 212 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 212 K C 2.165 178.621 176.600 -0.240 0.000 1.050 212 K CA 1.330 57.347 56.287 -0.449 0.000 0.942 212 K CB -0.521 31.655 32.500 -0.540 0.000 0.724 212 K HN 0.495 nan 8.250 nan 0.000 0.446 213 G N 2.065 110.742 108.800 -0.206 0.000 2.459 213 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 213 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 213 G C 1.502 176.337 174.900 -0.110 0.000 1.183 213 G CA 1.306 46.329 45.100 -0.128 0.000 0.776 213 G HN 0.477 nan 8.290 nan 0.000 0.552 214 I N -2.305 118.198 120.570 -0.111 0.000 2.546 214 I HA 0.085 4.255 4.170 -0.000 0.000 0.255 214 I C 2.551 178.616 176.117 -0.087 0.000 1.163 214 I CA 1.103 62.351 61.300 -0.086 0.000 1.457 214 I CB -0.243 37.717 38.000 -0.067 0.000 1.092 214 I HN 0.098 nan 8.210 nan 0.000 0.434 215 M N 0.727 120.260 119.600 -0.112 0.000 2.516 215 M HA 0.159 4.639 4.480 -0.000 0.000 0.259 215 M C 0.714 176.957 176.300 -0.095 0.000 1.146 215 M CA 0.106 55.345 55.300 -0.101 0.000 1.122 215 M CB 0.043 32.570 32.600 -0.121 0.000 1.341 215 M HN 0.045 nan 8.290 nan 0.000 0.478 216 S N 1.474 117.113 115.700 -0.102 0.000 2.544 216 S HA 0.241 4.711 4.470 -0.000 0.000 0.290 216 S C 1.266 175.831 174.600 -0.058 0.000 1.276 216 S CA 0.626 58.779 58.200 -0.078 0.000 1.075 216 S CB 0.213 63.369 63.200 -0.074 0.000 0.849 216 S HN 0.734 nan 8.310 nan 0.000 0.494 217 G N 2.395 111.168 108.800 -0.046 0.000 2.180 217 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.263 217 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.263 217 G C 0.909 175.796 174.900 -0.021 0.000 0.989 217 G CA 0.490 45.572 45.100 -0.030 0.000 0.692 217 G HN 1.055 nan 8.290 nan 0.000 0.526 218 A N -0.707 122.095 122.820 -0.029 0.000 2.067 218 A HA 0.482 4.801 4.320 -0.000 0.000 0.219 218 A C 2.762 180.355 177.584 0.015 0.000 1.158 218 A CA 2.079 54.107 52.037 -0.016 0.000 0.661 218 A CB -0.497 18.485 19.000 -0.030 0.000 0.801 218 A HN 2.661 nan 8.150 nan 0.000 0.452 219 G N -1.693 107.111 108.800 0.006 0.000 2.498 219 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.251 219 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.251 219 G C 0.160 175.068 174.900 0.013 0.000 1.170 219 G CA -0.010 45.100 45.100 0.017 0.000 0.944 219 G HN 0.799 nan 8.290 nan 0.000 0.567 220 T N 1.685 116.252 114.554 0.022 0.000 2.870 220 T HA 0.600 4.950 4.350 -0.000 0.000 0.300 220 T C 0.623 175.337 174.700 0.024 0.000 0.989 220 T CA 1.042 63.151 62.100 0.015 0.000 1.139 220 T CB 1.014 69.886 68.868 0.005 0.000 0.920 220 T HN 1.741 nan 8.240 nan 0.000 0.537 221 A N 3.500 126.330 122.820 0.017 0.000 2.423 221 A HA 0.885 5.204 4.320 -0.000 0.000 0.304 221 A C -0.951 176.645 177.584 0.020 0.000 1.104 221 A CA -0.805 51.245 52.037 0.022 0.000 0.757 221 A CB 1.110 20.122 19.000 0.020 0.000 1.313 221 A HN 0.772 nan 8.150 nan 0.000 0.423 222 L N 0.744 121.981 121.223 0.022 0.000 2.301 222 L HA 0.742 5.081 4.340 -0.000 0.000 0.264 222 L C -0.188 176.696 176.870 0.024 0.000 1.016 222 L CA -0.523 54.328 54.840 0.018 0.000 0.821 222 L CB 2.147 44.215 42.059 0.015 0.000 1.346 222 L HN 0.855 nan 8.230 nan 0.000 0.429 223 M N 0.122 119.734 119.600 0.020 0.000 2.530 223 M HA 0.755 5.235 4.480 -0.000 0.000 0.307 223 M C -0.991 175.321 176.300 0.020 0.000 1.161 223 M CA -0.340 54.974 55.300 0.024 0.000 0.903 223 M CB 2.374 34.989 32.600 0.026 0.000 1.711 223 M HN 0.611 nan 8.290 nan 0.000 0.451 224 G N 4.242 113.056 108.800 0.023 0.000 2.591 224 G HA2 0.740 4.700 3.960 -0.000 0.000 0.306 224 G HA3 0.740 4.700 3.960 -0.000 0.000 0.306 224 G C -1.506 173.407 174.900 0.023 0.000 1.334 224 G CA -0.829 44.285 45.100 0.023 0.000 0.981 224 G HN 0.943 nan 8.290 nan 0.000 0.491 225 I N -0.770 119.813 120.570 0.022 0.000 2.934 225 I HA 0.994 5.163 4.170 -0.000 0.000 0.306 225 I C 0.042 176.172 176.117 0.023 0.000 1.110 225 I CA -1.335 59.978 61.300 0.021 0.000 1.019 225 I CB 2.735 40.747 38.000 0.019 0.000 1.227 225 I HN 0.786 nan 8.210 nan 0.000 0.434 226 G N 1.647 110.461 108.800 0.023 0.000 2.742 226 G HA2 0.641 4.601 3.960 -0.000 0.000 0.296 226 G HA3 0.641 4.601 3.960 -0.000 0.000 0.296 226 G C -1.732 173.182 174.900 0.023 0.000 1.436 226 G CA -0.549 44.566 45.100 0.024 0.000 0.928 226 G HN 0.668 nan 8.290 nan 0.000 0.520 227 S N -1.035 114.679 115.700 0.022 0.000 2.549 227 S HA 0.955 5.425 4.470 -0.000 0.000 0.280 227 S C -0.239 174.375 174.600 0.023 0.000 1.109 227 S CA -0.007 58.206 58.200 0.021 0.000 0.905 227 S CB 1.923 65.135 63.200 0.019 0.000 1.081 227 S HN 1.835 nan 8.310 nan 0.000 0.477 228 A N 2.220 125.054 122.820 0.023 0.000 2.599 228 A HA 0.873 5.192 4.320 -0.000 0.000 0.290 228 A C -1.348 176.251 177.584 0.024 0.000 1.101 228 A CA -0.848 51.204 52.037 0.024 0.000 0.674 228 A CB 1.416 20.432 19.000 0.027 0.000 1.277 228 A HN 0.690 nan 8.150 nan 0.000 0.419 229 R N -0.555 119.959 120.500 0.023 0.000 2.867 229 R HA 0.722 5.061 4.340 -0.000 0.000 0.268 229 R C 0.380 176.695 176.300 0.024 0.000 1.014 229 R CA 0.097 56.210 56.100 0.023 0.000 0.946 229 R CB 2.041 32.353 30.300 0.019 0.000 1.208 229 R HN 2.356 nan 8.270 nan 0.000 0.477 230 G N 1.212 110.027 108.800 0.025 0.000 2.642 230 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.231 230 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.231 230 G C -0.588 174.330 174.900 0.030 0.000 1.338 230 G CA -0.240 44.874 45.100 0.025 0.000 0.883 230 G HN 0.663 nan 8.290 nan 0.000 0.570 231 E N 0.938 121.155 120.200 0.029 0.000 2.384 231 E HA 0.397 4.746 4.350 -0.000 0.000 0.266 231 E C 1.467 178.091 176.600 0.041 0.000 1.012 231 E CA 1.090 57.511 56.400 0.035 0.000 0.901 231 E CB -0.136 29.581 29.700 0.029 0.000 0.967 231 E HN 2.326 nan 8.360 nan 0.000 0.435 232 G N 4.148 112.980 108.800 0.054 0.000 2.155 232 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.257 232 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.257 232 G C 0.953 175.882 174.900 0.049 0.000 0.983 232 G CA 0.845 45.979 45.100 0.056 0.000 0.676 232 G HN 0.784 nan 8.290 nan 0.000 0.528 233 R N 0.104 120.632 120.500 0.047 0.000 2.113 233 R HA -0.102 4.238 4.340 -0.000 0.000 0.244 233 R C 2.280 178.607 176.300 0.044 0.000 1.142 233 R CA 2.115 58.240 56.100 0.041 0.000 0.953 233 R CB -0.923 29.401 30.300 0.039 0.000 0.860 233 R HN 0.322 nan 8.270 nan 0.000 0.438 234 S N 1.321 117.052 115.700 0.053 0.000 2.355 234 S HA 0.001 4.471 4.470 -0.000 0.000 0.222 234 S C 2.047 176.677 174.600 0.049 0.000 1.031 234 S CA 1.126 59.360 58.200 0.056 0.000 0.993 234 S CB -0.249 62.991 63.200 0.067 0.000 0.859 234 S HN 0.228 nan 8.310 nan 0.000 0.453 235 L N 1.427 122.673 121.223 0.039 0.000 2.042 235 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 235 L C 3.031 179.919 176.870 0.030 0.000 1.076 235 L CA 1.841 56.697 54.840 0.027 0.000 0.749 235 L CB -0.746 41.326 42.059 0.023 0.000 0.893 235 L HN 0.410 nan 8.230 nan 0.000 0.432 236 K N -0.131 120.289 120.400 0.032 0.000 2.057 236 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 236 K C 2.102 178.720 176.600 0.030 0.000 1.050 236 K CA 1.431 57.735 56.287 0.029 0.000 0.935 236 K CB -1.176 31.341 32.500 0.028 0.000 0.715 236 K HN 0.461 nan 8.250 nan 0.000 0.439 237 A N 0.842 123.682 122.820 0.033 0.000 1.929 237 A HA 0.348 4.668 4.320 -0.000 0.000 0.216 237 A C 2.754 180.360 177.584 0.037 0.000 1.176 237 A CA 1.791 53.848 52.037 0.033 0.000 0.628 237 A CB -0.647 18.373 19.000 0.033 0.000 0.816 237 A HN 0.817 nan 8.150 nan 0.000 0.444 238 A N -0.154 122.692 122.820 0.044 0.000 1.898 238 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 238 A C 1.949 179.556 177.584 0.039 0.000 1.181 238 A CA 1.967 54.035 52.037 0.051 0.000 0.620 238 A CB -0.487 18.552 19.000 0.066 0.000 0.819 238 A HN 0.533 nan 8.150 nan 0.000 0.442 239 E N 0.310 120.529 120.200 0.031 0.000 2.058 239 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 239 E C 1.678 178.293 176.600 0.025 0.000 0.997 239 E CA 1.704 58.118 56.400 0.025 0.000 0.801 239 E CB -0.423 29.289 29.700 0.020 0.000 0.746 239 E HN 0.619 nan 8.360 nan 0.000 0.450 240 I N 0.476 121.061 120.570 0.025 0.000 2.151 240 I HA -0.334 3.835 4.170 -0.000 0.000 0.243 240 I C 2.411 178.543 176.117 0.026 0.000 1.080 240 I CA 1.320 62.635 61.300 0.024 0.000 1.339 240 I CB -0.430 37.584 38.000 0.024 0.000 1.039 240 I HN 0.235 nan 8.210 nan 0.000 0.409 241 A N 0.683 123.520 122.820 0.029 0.000 1.902 241 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 241 A C 2.291 179.894 177.584 0.031 0.000 1.181 241 A CA 1.598 53.654 52.037 0.030 0.000 0.623 241 A CB -0.864 18.156 19.000 0.033 0.000 0.818 241 A HN 0.401 nan 8.150 nan 0.000 0.443 242 I N 0.047 120.637 120.570 0.032 0.000 2.493 242 I HA -0.179 3.991 4.170 -0.000 0.000 0.254 242 I C 1.276 177.409 176.117 0.027 0.000 1.160 242 I CA 0.892 62.211 61.300 0.031 0.000 1.445 242 I CB -0.154 37.865 38.000 0.031 0.000 1.086 242 I HN 0.311 nan 8.210 nan 0.000 0.433 243 N N 0.116 118.830 118.700 0.024 0.000 2.270 243 N HA 0.040 4.780 4.740 -0.000 0.000 0.198 243 N C 0.505 176.028 175.510 0.021 0.000 1.117 243 N CA 0.067 53.130 53.050 0.022 0.000 0.845 243 N CB 0.394 38.893 38.487 0.020 0.000 0.980 243 N HN 0.074 nan 8.380 nan 0.000 0.486 244 S N 1.977 117.690 115.700 0.022 0.000 2.558 244 S HA 0.053 4.523 4.470 -0.000 0.000 0.293 244 S C -1.325 173.286 174.600 0.019 0.000 1.292 244 S CA -0.970 57.243 58.200 0.021 0.000 1.063 244 S CB 1.027 64.240 63.200 0.022 0.000 0.831 244 S HN 0.034 nan 8.310 nan 0.000 0.499 245 P HA -0.067 nan 4.420 nan 0.000 0.219 245 P C 1.143 178.450 177.300 0.011 0.000 1.146 245 P CA 0.984 64.094 63.100 0.017 0.000 0.808 245 P CB 0.039 31.751 31.700 0.021 0.000 0.779 246 L N -1.709 119.520 121.223 0.010 0.000 2.275 246 L HA -0.101 4.238 4.340 -0.000 0.000 0.215 246 L C 2.118 178.991 176.870 0.004 0.000 1.119 246 L CA 0.880 55.721 54.840 0.002 0.000 0.790 246 L CB -0.607 41.453 42.059 0.003 0.000 0.919 246 L HN 0.006 nan 8.230 nan 0.000 0.443 247 L N -0.615 120.615 121.223 0.012 0.000 2.492 247 L HA -0.021 4.319 4.340 -0.000 0.000 0.223 247 L C 0.595 177.473 176.870 0.014 0.000 1.132 247 L CA 0.187 55.036 54.840 0.016 0.000 0.850 247 L CB -0.198 41.874 42.059 0.022 0.000 0.966 247 L HN 0.282 nan 8.230 nan 0.000 0.454 248 E N -0.312 119.894 120.200 0.011 0.000 2.360 248 E HA -0.304 4.045 4.350 -0.000 0.000 0.238 248 E C 0.755 177.364 176.600 0.015 0.000 1.186 248 E CA 0.243 56.649 56.400 0.009 0.000 0.719 248 E CB -1.400 28.302 29.700 0.002 0.000 1.236 248 E HN 0.536 nan 8.360 nan 0.000 0.386 249 A N -0.163 122.668 122.820 0.019 0.000 2.748 249 A HA -0.333 3.987 4.320 -0.000 0.000 0.297 249 A C 1.548 179.149 177.584 0.030 0.000 1.508 249 A CA 1.492 53.543 52.037 0.023 0.000 0.799 249 A CB -2.096 16.917 19.000 0.021 0.000 1.011 249 A HN 1.056 nan 8.150 nan 0.000 0.500 250 S N -2.376 113.343 115.700 0.032 0.000 2.575 250 S HA 0.204 4.674 4.470 -0.000 0.000 0.215 250 S C 1.394 176.023 174.600 0.048 0.000 0.966 250 S CA 0.955 59.180 58.200 0.041 0.000 0.911 250 S CB -0.081 63.142 63.200 0.038 0.000 0.780 250 S HN 0.857 nan 8.310 nan 0.000 0.514 251 M N 2.522 122.148 119.600 0.043 0.000 2.117 251 M HA 0.026 4.505 4.480 -0.000 0.000 0.262 251 M C 1.901 178.236 176.300 0.059 0.000 1.065 251 M CA 1.715 57.043 55.300 0.046 0.000 1.114 251 M CB -0.715 31.908 32.600 0.038 0.000 1.361 251 M HN 0.356 nan 8.290 nan 0.000 0.408 252 E N -1.025 119.212 120.200 0.061 0.000 2.097 252 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 252 E C 1.750 178.431 176.600 0.136 0.000 1.000 252 E CA 1.243 57.691 56.400 0.080 0.000 0.804 252 E CB -0.474 29.264 29.700 0.064 0.000 0.740 252 E HN 0.717 nan 8.360 nan 0.000 0.454 253 G N 0.328 109.195 108.800 0.112 0.000 2.838 253 G HA2 0.204 4.164 3.960 -0.000 0.000 0.210 253 G HA3 0.204 4.164 3.960 -0.000 0.000 0.210 253 G C 0.420 175.328 174.900 0.014 0.000 1.153 253 G CA 0.271 45.434 45.100 0.105 0.000 0.778 253 G HN 0.266 nan 8.290 nan 0.000 0.539 254 A N 0.273 123.113 122.820 0.034 0.000 2.477 254 A HA 0.440 4.760 4.320 -0.000 0.000 0.246 254 A C 1.213 178.760 177.584 -0.063 0.000 1.078 254 A CA 0.002 52.039 52.037 -0.001 0.000 0.770 254 A CB 0.513 19.529 19.000 0.026 0.000 1.011 254 A HN 0.190 nan 8.150 nan 0.000 0.494 255 Q N 1.084 120.813 119.800 -0.119 0.000 2.384 255 Q HA 0.151 4.491 4.340 -0.000 0.000 0.207 255 Q C 0.663 176.615 176.000 -0.081 0.000 0.904 255 Q CA 0.988 56.699 55.803 -0.153 0.000 0.933 255 Q CB 0.778 29.366 28.738 -0.250 0.000 1.077 255 Q HN 0.859 nan 8.270 nan 0.000 0.522 256 G N 0.008 108.778 108.800 -0.050 0.000 2.707 256 G HA2 0.548 4.508 3.960 -0.000 0.000 0.299 256 G HA3 0.548 4.508 3.960 -0.000 0.000 0.299 256 G C -1.314 173.582 174.900 -0.006 0.000 1.442 256 G CA -0.239 44.843 45.100 -0.031 0.000 1.009 256 G HN -0.067 nan 8.290 nan 0.000 0.515 257 V N 2.677 122.596 119.914 0.008 0.000 2.638 257 V HA 0.549 4.669 4.120 -0.000 0.000 0.306 257 V C -0.644 175.471 176.094 0.034 0.000 1.052 257 V CA -0.746 61.569 62.300 0.027 0.000 0.885 257 V CB 1.757 33.605 31.823 0.041 0.000 0.999 257 V HN 0.656 nan 8.190 nan 0.000 0.424 258 L N 4.748 125.991 121.223 0.033 0.000 2.329 258 L HA 0.735 5.075 4.340 -0.000 0.000 0.279 258 L C -0.359 176.534 176.870 0.039 0.000 1.014 258 L CA -0.100 54.758 54.840 0.031 0.000 0.814 258 L CB 1.661 43.730 42.059 0.016 0.000 1.257 258 L HN 0.751 nan 8.230 nan 0.000 0.424 259 M N 3.115 122.737 119.600 0.036 0.000 2.326 259 M HA 0.553 5.033 4.480 -0.000 0.000 0.292 259 M C -1.411 174.791 176.300 -0.162 0.000 1.081 259 M CA -0.139 55.170 55.300 0.015 0.000 0.919 259 M CB 1.958 34.655 32.600 0.163 0.000 1.634 259 M HN 0.553 nan 8.290 nan 0.000 0.451 260 S N 5.092 120.703 115.700 -0.149 0.000 2.513 260 S HA 0.776 5.246 4.470 -0.000 0.000 0.299 260 S C -1.114 173.375 174.600 -0.186 0.000 1.087 260 S CA -0.723 57.338 58.200 -0.232 0.000 1.012 260 S CB 1.135 64.258 63.200 -0.127 0.000 1.044 260 S HN 0.727 nan 8.310 nan 0.000 0.485 261 I N 3.546 123.976 120.570 -0.234 0.000 2.382 261 I HA 0.533 4.703 4.170 -0.000 0.000 0.286 261 I C 0.077 176.146 176.117 -0.079 0.000 1.002 261 I CA -0.782 60.455 61.300 -0.105 0.000 1.135 261 I CB 1.586 39.553 38.000 -0.055 0.000 1.288 261 I HN 0.710 nan 8.210 nan 0.000 0.448 262 A N 4.746 127.541 122.820 -0.041 0.000 2.305 262 A HA 0.966 5.286 4.320 -0.000 0.000 0.322 262 A C 0.109 177.689 177.584 -0.006 0.000 1.187 262 A CA -0.254 51.767 52.037 -0.026 0.000 0.825 262 A CB 1.264 20.252 19.000 -0.020 0.000 1.164 262 A HN 0.910 nan 8.150 nan 0.000 0.498 263 G N -0.088 108.711 108.800 -0.001 0.000 2.489 263 G HA2 0.603 4.563 3.960 -0.000 0.000 0.305 263 G HA3 0.603 4.563 3.960 -0.000 0.000 0.305 263 G C -0.024 174.883 174.900 0.011 0.000 1.311 263 G CA 0.050 45.156 45.100 0.010 0.000 0.813 263 G HN 1.294 nan 8.290 nan 0.000 0.480 264 G N -0.685 108.124 108.800 0.016 0.000 2.651 264 G HA2 0.407 4.367 3.960 -0.000 0.000 0.260 264 G HA3 0.407 4.367 3.960 -0.000 0.000 0.260 264 G C 1.281 176.192 174.900 0.018 0.000 1.216 264 G CA 0.831 45.940 45.100 0.016 0.000 0.913 264 G HN 0.895 nan 8.290 nan 0.000 0.535 265 S N 0.171 115.882 115.700 0.017 0.000 2.402 265 S HA -0.154 4.316 4.470 -0.000 0.000 0.233 265 S C 1.921 176.535 174.600 0.024 0.000 1.030 265 S CA 1.678 59.890 58.200 0.019 0.000 1.003 265 S CB -0.174 63.035 63.200 0.016 0.000 0.813 265 S HN 0.818 nan 8.310 nan 0.000 0.477 266 D N 0.632 121.047 120.400 0.025 0.000 2.349 266 D HA 0.001 4.641 4.640 -0.000 0.000 0.224 266 D C 0.411 176.734 176.300 0.038 0.000 1.029 266 D CA -0.166 53.851 54.000 0.029 0.000 0.879 266 D CB -0.414 40.401 40.800 0.025 0.000 0.906 266 D HN 0.203 nan 8.370 nan 0.000 0.528 267 L N 2.073 123.320 121.223 0.040 0.000 2.660 267 L HA 0.226 4.565 4.340 -0.000 0.000 0.272 267 L C 0.838 177.747 176.870 0.064 0.000 1.194 267 L CA 0.257 55.128 54.840 0.051 0.000 0.945 267 L CB 0.343 42.430 42.059 0.046 0.000 1.212 267 L HN 0.078 nan 8.230 nan 0.000 0.490 268 G N 4.149 112.997 108.800 0.081 0.000 2.444 268 G HA2 0.297 4.257 3.960 -0.000 0.000 0.268 268 G HA3 0.297 4.257 3.960 -0.000 0.000 0.268 268 G C 0.592 175.564 174.900 0.119 0.000 1.203 268 G CA -0.511 44.648 45.100 0.099 0.000 0.835 268 G HN 0.779 nan 8.290 nan 0.000 0.543 269 L N 2.586 123.881 121.223 0.119 0.000 2.046 269 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 269 L C 2.266 179.210 176.870 0.123 0.000 1.077 269 L CA 1.738 56.645 54.840 0.112 0.000 0.747 269 L CB -0.738 41.379 42.059 0.097 0.000 0.896 269 L HN 0.638 nan 8.230 nan 0.000 0.432 270 F N 1.070 121.034 119.950 0.024 0.000 2.075 270 F HA -0.257 4.270 4.527 -0.000 0.000 0.297 270 F C 2.499 178.310 175.800 0.019 0.000 1.113 270 F CA 2.149 60.158 58.000 0.015 0.000 1.218 270 F CB -0.343 38.664 39.000 0.011 0.000 0.984 270 F HN 0.435 nan 8.300 nan 0.000 0.472 271 E N 0.399 120.716 120.200 0.195 0.000 2.110 271 E HA -0.230 4.119 4.350 -0.000 0.000 0.193 271 E C 2.283 178.890 176.600 0.011 0.000 0.988 271 E CA 1.865 58.317 56.400 0.086 0.000 0.804 271 E CB -0.914 28.875 29.700 0.147 0.000 0.745 271 E HN 0.549 nan 8.360 nan 0.000 0.458 272 I N 1.781 122.387 120.570 0.059 0.000 2.127 272 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 272 I C 2.507 178.631 176.117 0.011 0.000 1.075 272 I CA 1.713 63.087 61.300 0.123 0.000 1.334 272 I CB -0.437 37.668 38.000 0.175 0.000 1.040 272 I HN 0.185 nan 8.210 nan 0.000 0.405 273 N N 0.709 119.341 118.700 -0.115 0.000 2.223 273 N HA -0.201 4.539 4.740 -0.000 0.000 0.185 273 N C 1.711 177.031 175.510 -0.316 0.000 1.016 273 N CA 1.317 54.215 53.050 -0.253 0.000 0.863 273 N CB 0.000 38.346 38.487 -0.235 0.000 0.983 273 N HN 0.324 nan 8.380 nan 0.000 0.429 274 E N -0.471 119.523 120.200 -0.344 0.000 2.110 274 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 274 E C 1.860 178.360 176.600 -0.167 0.000 0.988 274 E CA 1.054 57.279 56.400 -0.292 0.000 0.804 274 E CB -0.157 29.379 29.700 -0.273 0.000 0.745 274 E HN 0.490 nan 8.360 nan 0.000 0.458 275 A N 1.430 124.189 122.820 -0.102 0.000 1.898 275 A HA -0.068 4.251 4.320 -0.000 0.000 0.216 275 A C 2.383 179.907 177.584 -0.101 0.000 1.181 275 A CA 1.545 53.570 52.037 -0.019 0.000 0.620 275 A CB -0.537 18.536 19.000 0.121 0.000 0.819 275 A HN 0.287 nan 8.150 nan 0.000 0.442 276 A N -0.919 121.673 122.820 -0.380 0.000 1.933 276 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 276 A C 2.453 179.811 177.584 -0.377 0.000 1.175 276 A CA 2.083 53.665 52.037 -0.758 0.000 0.628 276 A CB -0.812 17.314 19.000 -1.456 0.000 0.814 276 A HN 0.527 nan 8.150 nan 0.000 0.444 277 S N -0.793 114.737 115.700 -0.282 0.000 2.368 277 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 277 S C 1.923 176.450 174.600 -0.123 0.000 1.029 277 S CA 1.364 59.451 58.200 -0.188 0.000 0.988 277 S CB -0.436 62.658 63.200 -0.178 0.000 0.838 277 S HN 0.481 nan 8.310 nan 0.000 0.462 278 L N 1.629 122.791 121.223 -0.101 0.000 2.012 278 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 278 L C 2.420 179.269 176.870 -0.034 0.000 1.073 278 L CA 1.877 56.685 54.840 -0.053 0.000 0.748 278 L CB -1.018 41.023 42.059 -0.030 0.000 0.891 278 L HN 0.270 nan 8.230 nan 0.000 0.431 279 V N -0.619 119.277 119.914 -0.030 0.000 2.407 279 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 279 V C 2.483 178.571 176.094 -0.011 0.000 1.055 279 V CA 2.058 64.361 62.300 0.004 0.000 1.049 279 V CB -0.237 31.620 31.823 0.058 0.000 0.662 279 V HN 0.681 nan 8.190 nan 0.000 0.455 280 Q N -0.723 119.050 119.800 -0.046 0.000 2.050 280 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 280 Q C 2.030 178.010 176.000 -0.033 0.000 0.980 280 Q CA 2.010 57.787 55.803 -0.042 0.000 0.840 280 Q CB -0.294 28.402 28.738 -0.070 0.000 0.898 280 Q HN 0.648 nan 8.270 nan 0.000 0.424 281 D N 0.517 120.893 120.400 -0.040 0.000 2.104 281 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 281 D C 1.726 178.014 176.300 -0.021 0.000 0.994 281 D CA 1.549 55.529 54.000 -0.033 0.000 0.830 281 D CB -0.246 40.533 40.800 -0.035 0.000 0.959 281 D HN 0.268 nan 8.370 nan 0.000 0.452 282 A N 0.565 123.379 122.820 -0.010 0.000 2.015 282 A HA 0.214 4.534 4.320 -0.000 0.000 0.219 282 A C 1.417 179.010 177.584 0.015 0.000 1.163 282 A CA 1.184 53.223 52.037 0.003 0.000 0.646 282 A CB -0.450 18.556 19.000 0.011 0.000 0.806 282 A HN 0.259 nan 8.150 nan 0.000 0.448 283 A N -0.889 121.942 122.820 0.019 0.000 2.287 283 A HA 0.463 4.783 4.320 -0.000 0.000 0.273 283 A C 0.123 177.742 177.584 0.059 0.000 1.091 283 A CA -0.365 51.700 52.037 0.047 0.000 0.817 283 A CB -0.263 18.765 19.000 0.046 0.000 1.069 283 A HN 0.600 nan 8.150 nan 0.000 0.492 284 H N 1.206 120.271 119.070 -0.008 0.000 3.064 284 H HA 0.120 4.676 4.556 -0.000 0.000 0.329 284 H C -1.674 173.642 175.328 -0.020 0.000 1.020 284 H CA -0.158 55.882 56.048 -0.014 0.000 1.402 284 H CB 0.647 30.398 29.762 -0.019 0.000 1.379 284 H HN 0.326 nan 8.280 nan 0.000 0.594 285 P HA -0.199 nan 4.420 nan 0.000 0.216 285 P C 0.401 177.731 177.300 0.050 0.000 1.154 285 P CA 1.644 64.670 63.100 -0.123 0.000 0.865 285 P CB 0.268 31.825 31.700 -0.238 0.000 0.789 286 D N -1.324 119.262 120.400 0.311 0.000 2.328 286 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 286 D C 0.666 177.035 176.300 0.115 0.000 1.072 286 D CA 0.093 54.219 54.000 0.210 0.000 0.850 286 D CB -0.229 40.687 40.800 0.193 0.000 0.922 286 D HN 0.101 nan 8.370 nan 0.000 0.516 287 A N 0.966 123.863 122.820 0.129 0.000 2.511 287 A HA 0.084 4.404 4.320 -0.000 0.000 0.242 287 A C 0.352 177.944 177.584 0.013 0.000 1.069 287 A CA -0.148 51.913 52.037 0.040 0.000 0.763 287 A CB -0.104 18.930 19.000 0.056 0.000 1.001 287 A HN 0.046 nan 8.150 nan 0.000 0.498 288 N N 0.654 119.347 118.700 -0.011 0.000 2.497 288 N HA 0.449 5.189 4.740 -0.000 0.000 0.268 288 N C -0.730 174.782 175.510 0.004 0.000 1.171 288 N CA 0.418 53.462 53.050 -0.009 0.000 0.948 288 N CB 0.641 39.113 38.487 -0.026 0.000 1.069 288 N HN 0.565 nan 8.380 nan 0.000 0.460 289 I N 2.686 123.265 120.570 0.016 0.000 2.466 289 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 289 I C -0.876 175.276 176.117 0.058 0.000 1.026 289 I CA -0.808 60.516 61.300 0.040 0.000 1.078 289 I CB 1.466 39.492 38.000 0.044 0.000 1.249 289 I HN 0.264 nan 8.210 nan 0.000 0.429 290 I N 6.588 127.199 120.570 0.068 0.000 2.354 290 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 290 I C -0.793 175.411 176.117 0.145 0.000 0.989 290 I CA -0.262 61.085 61.300 0.078 0.000 1.188 290 I CB 1.399 39.412 38.000 0.020 0.000 1.342 290 I HN 0.330 nan 8.210 nan 0.000 0.457 291 F N 5.339 125.287 119.950 -0.003 0.000 2.569 291 F HA 0.870 5.397 4.527 -0.000 0.000 0.312 291 F C -0.103 175.701 175.800 0.006 0.000 1.109 291 F CA -0.195 57.805 58.000 0.000 0.000 0.919 291 F CB 1.862 40.859 39.000 -0.006 0.000 1.211 291 F HN 0.507 nan 8.300 nan 0.000 0.446 292 G N 1.877 110.195 108.800 -0.803 0.000 2.608 292 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 292 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 292 G C -1.525 173.014 174.900 -0.602 0.000 1.425 292 G CA -0.326 44.465 45.100 -0.515 0.000 0.787 292 G HN 0.835 nan 8.290 nan 0.000 0.484 293 T N -2.969 111.415 114.554 -0.283 0.000 2.926 293 T HA 0.797 5.147 4.350 -0.000 0.000 0.289 293 T C -1.160 173.483 174.700 -0.095 0.000 1.054 293 T CA -0.890 61.099 62.100 -0.185 0.000 1.015 293 T CB 1.995 70.812 68.868 -0.084 0.000 1.167 293 T HN 0.979 nan 8.240 nan 0.000 0.526 294 V N 1.377 121.252 119.914 -0.065 0.000 2.623 294 V HA 0.439 4.559 4.120 -0.000 0.000 0.304 294 V C -0.558 175.525 176.094 -0.019 0.000 1.054 294 V CA -0.892 61.386 62.300 -0.037 0.000 0.882 294 V CB 1.799 33.598 31.823 -0.040 0.000 1.002 294 V HN 0.906 nan 8.190 nan 0.000 0.424 295 I N 4.265 124.830 120.570 -0.008 0.000 2.301 295 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 295 I C -0.576 175.542 176.117 0.001 0.000 1.046 295 I CA 0.254 61.554 61.300 0.001 0.000 1.282 295 I CB 0.859 38.863 38.000 0.006 0.000 1.409 295 I HN 0.563 nan 8.210 nan 0.000 0.484 296 D N 6.073 126.475 120.400 0.002 0.000 2.389 296 D HA 0.140 4.779 4.640 -0.000 0.000 0.256 296 D C 0.196 176.500 176.300 0.007 0.000 1.239 296 D CA -0.346 53.656 54.000 0.004 0.000 0.925 296 D CB 1.060 41.861 40.800 0.002 0.000 1.145 296 D HN 0.375 nan 8.370 nan 0.000 0.542 297 D N 1.109 121.514 120.400 0.008 0.000 2.363 297 D HA -0.089 4.551 4.640 -0.000 0.000 0.226 297 D C 1.570 177.876 176.300 0.009 0.000 1.020 297 D CA 0.408 54.414 54.000 0.009 0.000 0.892 297 D CB 0.422 41.228 40.800 0.009 0.000 0.900 297 D HN 0.417 nan 8.370 nan 0.000 0.531 298 S N -0.616 115.089 115.700 0.008 0.000 2.558 298 S HA 0.056 4.526 4.470 -0.000 0.000 0.217 298 S C 1.857 176.462 174.600 0.009 0.000 0.975 298 S CA -0.136 58.069 58.200 0.008 0.000 0.912 298 S CB -0.155 63.049 63.200 0.007 0.000 0.776 298 S HN 0.192 nan 8.310 nan 0.000 0.526 299 L N 1.329 122.558 121.223 0.009 0.000 2.552 299 L HA 0.223 4.562 4.340 -0.000 0.000 0.227 299 L C 2.026 178.903 176.870 0.012 0.000 1.146 299 L CA 0.319 55.165 54.840 0.010 0.000 0.858 299 L CB -1.321 40.743 42.059 0.010 0.000 0.969 299 L HN 0.636 nan 8.230 nan 0.000 0.451 300 G N 0.911 109.718 108.800 0.012 0.000 2.622 300 G HA2 -0.526 3.434 3.960 -0.000 0.000 0.307 300 G HA3 -0.526 3.434 3.960 -0.000 0.000 0.307 300 G C 0.570 175.479 174.900 0.015 0.000 1.226 300 G CA 0.538 45.645 45.100 0.012 0.000 0.997 300 G HN 0.354 nan 8.290 nan 0.000 0.551 301 D N 1.049 121.458 120.400 0.015 0.000 2.328 301 D HA 0.431 5.071 4.640 -0.000 0.000 0.226 301 D C 1.002 177.314 176.300 0.020 0.000 1.066 301 D CA 1.494 55.505 54.000 0.018 0.000 0.861 301 D CB 0.003 40.813 40.800 0.017 0.000 0.912 301 D HN 0.764 nan 8.370 nan 0.000 0.521 302 E N -0.168 120.043 120.200 0.018 0.000 2.313 302 E HA 0.458 4.807 4.350 -0.000 0.000 0.272 302 E C -1.157 175.455 176.600 0.019 0.000 1.038 302 E CA -0.337 56.074 56.400 0.018 0.000 0.863 302 E CB 1.761 31.471 29.700 0.016 0.000 1.060 302 E HN 0.092 nan 8.360 nan 0.000 0.402 303 V N 4.707 124.634 119.914 0.022 0.000 2.604 303 V HA 0.436 4.556 4.120 -0.000 0.000 0.305 303 V C -0.477 175.628 176.094 0.018 0.000 1.043 303 V CA -0.645 61.668 62.300 0.021 0.000 0.888 303 V CB 1.830 33.671 31.823 0.030 0.000 0.995 303 V HN 0.679 nan 8.190 nan 0.000 0.429 304 R N 3.389 123.896 120.500 0.012 0.000 2.439 304 R HA 0.704 5.044 4.340 -0.000 0.000 0.310 304 R C -1.442 174.860 176.300 0.004 0.000 0.955 304 R CA -0.586 55.519 56.100 0.009 0.000 0.853 304 R CB 2.222 32.525 30.300 0.005 0.000 1.171 304 R HN 0.490 nan 8.270 nan 0.000 0.449 305 V N 2.498 122.419 119.914 0.011 0.000 2.483 305 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 305 V C 0.053 176.152 176.094 0.008 0.000 1.035 305 V CA -0.516 61.789 62.300 0.009 0.000 0.896 305 V CB 2.002 33.843 31.823 0.030 0.000 0.986 305 V HN 0.736 nan 8.190 nan 0.000 0.447 306 T N 3.981 118.534 114.554 -0.002 0.000 2.807 306 T HA 0.632 4.982 4.350 -0.000 0.000 0.279 306 T C -0.596 174.111 174.700 0.012 0.000 0.993 306 T CA -0.413 61.691 62.100 0.005 0.000 0.970 306 T CB 1.744 70.611 68.868 -0.001 0.000 0.950 306 T HN 0.348 nan 8.240 nan 0.000 0.441 307 V N 4.731 124.660 119.914 0.024 0.000 2.487 307 V HA 0.505 4.625 4.120 -0.000 0.000 0.298 307 V C -0.714 175.399 176.094 0.032 0.000 1.028 307 V CA -0.888 61.432 62.300 0.034 0.000 0.860 307 V CB 1.705 33.553 31.823 0.041 0.000 0.991 307 V HN 0.739 nan 8.190 nan 0.000 0.427 308 I N 4.236 124.826 120.570 0.033 0.000 2.362 308 I HA 0.678 4.848 4.170 -0.000 0.000 0.289 308 I C 0.267 176.401 176.117 0.030 0.000 0.994 308 I CA -0.413 60.907 61.300 0.033 0.000 1.158 308 I CB 1.589 39.612 38.000 0.038 0.000 1.315 308 I HN 0.678 nan 8.210 nan 0.000 0.451 309 A N 5.573 128.411 122.820 0.029 0.000 2.304 309 A HA 0.898 5.218 4.320 -0.000 0.000 0.314 309 A C -0.363 177.236 177.584 0.025 0.000 1.187 309 A CA -0.436 51.617 52.037 0.027 0.000 0.810 309 A CB 1.265 20.284 19.000 0.032 0.000 1.183 309 A HN 0.827 nan 8.150 nan 0.000 0.487 310 A N 1.804 124.635 122.820 0.017 0.000 2.413 310 A HA 0.987 5.307 4.320 -0.000 0.000 0.307 310 A C 0.509 178.103 177.584 0.016 0.000 1.087 310 A CA 0.067 52.115 52.037 0.019 0.000 0.750 310 A CB 1.013 20.015 19.000 0.002 0.000 1.296 310 A HN 2.863 nan 8.150 nan 0.000 0.423 311 G N -0.622 108.213 108.800 0.059 0.000 2.760 311 G HA2 0.352 4.312 3.960 -0.000 0.000 0.246 311 G HA3 0.352 4.312 3.960 -0.000 0.000 0.246 311 G C -0.431 174.559 174.900 0.151 0.000 1.359 311 G CA 0.223 45.361 45.100 0.062 0.000 0.861 311 G HN 2.345 nan 8.290 nan 0.000 0.541 312 F N 0.000 119.905 119.950 -0.075 0.000 2.286 312 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 312 F CA 0.000 57.951 58.000 -0.081 0.000 1.383 312 F CB 0.000 38.969 39.000 -0.051 0.000 1.145 312 F HN 0.000 nan 8.300 nan 0.000 0.574