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 3nif_1_D DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RCGPGWL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.891 174.900 -0.015 0.000 0.946 1 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 2 P HA 0.448 nan 4.420 nan 0.000 0.281 2 P C -1.082 176.217 177.300 -0.002 0.000 1.252 2 P CA 0.251 63.347 63.100 -0.006 0.000 0.778 2 P CB 1.572 33.269 31.700 -0.004 0.000 0.895 3 N N 1.138 119.840 118.700 0.002 0.000 3.308 3 N HA 0.123 4.863 4.740 0.000 0.000 0.276 3 N C 1.003 176.522 175.510 0.015 0.000 1.533 3 N CA -0.961 52.094 53.050 0.008 0.000 0.878 3 N CB -0.042 38.449 38.487 0.007 0.000 1.566 3 N HN 0.231 nan 8.380 nan 0.000 0.546 4 I N -2.685 117.897 120.570 0.020 0.000 2.335 4 I HA -0.172 3.998 4.170 0.000 0.000 0.251 4 I C 1.023 177.162 176.117 0.037 0.000 1.129 4 I CA 1.078 62.394 61.300 0.027 0.000 1.402 4 I CB -0.712 37.305 38.000 0.029 0.000 1.069 4 I HN 0.474 nan 8.210 nan 0.000 0.424 5 c N 1.775 120.400 118.600 0.040 0.000 2.446 5 c HA -0.105 4.465 4.570 0.000 0.000 0.277 5 c C 3.202 177.322 174.090 0.049 0.000 1.275 5 c CA 1.643 58.005 56.329 0.056 0.000 1.727 5 c CB -1.387 41.156 42.510 0.056 0.000 2.010 5 c HN 0.739 nan 8.230 nan 0.000 0.486 6 T N -0.637 113.933 114.554 0.027 0.000 2.894 6 T HA -0.108 4.242 4.350 0.000 0.000 0.258 6 T C 1.636 176.348 174.700 0.020 0.000 1.043 6 T CA 1.964 64.073 62.100 0.016 0.000 1.141 6 T CB -0.948 67.918 68.868 -0.002 0.000 0.873 6 T HN 0.613 nan 8.240 nan 0.000 0.449 7 T N 0.000 114.566 114.554 0.019 0.000 2.995 7 T HA 0.103 4.453 4.350 0.000 0.000 0.269 7 T C 2.121 176.835 174.700 0.023 0.000 1.091 7 T CA 0.052 62.163 62.100 0.017 0.000 1.128 7 T CB -0.285 68.591 68.868 0.014 0.000 0.891 7 T HN 0.153 nan 8.240 nan 0.000 0.492 8 R N 1.691 122.210 120.500 0.032 0.000 2.092 8 R HA 0.116 4.456 4.340 0.000 0.000 0.231 8 R C 1.843 178.166 176.300 0.040 0.000 1.119 8 R CA 0.988 57.109 56.100 0.035 0.000 0.970 8 R CB -1.215 29.110 30.300 0.042 0.000 0.864 8 R HN 0.663 nan 8.270 nan 0.000 0.440 9 G N 1.744 110.573 108.800 0.049 0.000 2.401 9 G HA2 -0.222 3.738 3.960 0.000 0.000 0.283 9 G HA3 -0.222 3.738 3.960 0.000 0.000 0.283 9 G C 0.195 175.140 174.900 0.075 0.000 1.117 9 G CA 0.284 45.417 45.100 0.054 0.000 1.051 9 G HN 0.315 nan 8.290 nan 0.000 0.510 10 V N -1.490 118.490 119.914 0.111 0.000 2.811 10 V HA 0.707 4.827 4.120 0.000 0.000 0.302 10 V C 1.165 177.358 176.094 0.165 0.000 1.063 10 V CA 0.876 63.254 62.300 0.130 0.000 1.088 10 V CB 1.525 33.449 31.823 0.168 0.000 0.982 10 V HN 0.600 nan 8.190 nan 0.000 0.485 11 S N 2.023 117.784 115.700 0.102 0.000 2.517 11 S HA 0.225 4.695 4.470 0.000 0.000 0.214 11 S C 0.659 175.298 174.600 0.065 0.000 0.991 11 S CA 0.337 58.596 58.200 0.098 0.000 0.906 11 S CB -0.186 63.042 63.200 0.046 0.000 0.789 11 S HN 1.258 nan 8.310 nan 0.000 0.513 12 S N -1.057 114.597 115.700 -0.076 0.000 2.607 12 S HA 0.372 4.842 4.470 0.000 0.000 0.273 12 S C 0.538 174.572 174.600 -0.944 0.000 1.148 12 S CA -0.630 57.326 58.200 -0.406 0.000 0.833 12 S CB 0.885 63.929 63.200 -0.259 0.000 1.130 12 S HN 0.117 nan 8.310 nan 0.000 0.470 13 c N 0.660 118.376 118.600 -1.473 0.000 2.429 13 c HA -0.078 4.492 4.570 0.000 0.000 0.277 13 c C 2.705 176.445 174.090 -0.582 0.000 1.262 13 c CA 1.974 57.384 56.329 -1.532 0.000 1.733 13 c CB -1.516 40.168 42.510 -1.377 0.000 2.010 13 c HN 1.061 nan 8.230 nan 0.000 0.483 14 Q N -0.132 119.427 119.800 -0.402 0.000 2.061 14 Q HA -0.263 4.077 4.340 0.000 0.000 0.204 14 Q C 2.311 178.227 176.000 -0.140 0.000 0.984 14 Q CA 2.024 57.703 55.803 -0.207 0.000 0.846 14 Q CB -0.266 28.377 28.738 -0.158 0.000 0.902 14 Q HN 0.741 nan 8.270 nan 0.000 0.421 15 Q N -0.562 119.151 119.800 -0.145 0.000 2.096 15 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 15 Q C 2.445 178.438 176.000 -0.011 0.000 0.982 15 Q CA 1.434 57.200 55.803 -0.061 0.000 0.850 15 Q CB -0.341 28.373 28.738 -0.040 0.000 0.901 15 Q HN 0.562 nan 8.270 nan 0.000 0.422 16 c N 0.587 119.186 118.600 -0.003 0.000 2.413 16 c HA -0.141 4.429 4.570 0.000 0.000 0.276 16 c C 2.491 176.643 174.090 0.103 0.000 1.236 16 c CA 0.747 57.153 56.329 0.129 0.000 1.735 16 c CB -1.046 41.666 42.510 0.337 0.000 2.031 16 c HN 0.489 nan 8.230 nan 0.000 0.474 17 L N 1.067 122.323 121.223 0.054 0.000 2.191 17 L HA -0.066 4.274 4.340 0.000 0.000 0.212 17 L C 2.845 179.737 176.870 0.038 0.000 1.103 17 L CA 1.508 56.382 54.840 0.057 0.000 0.769 17 L CB -0.753 41.316 42.059 0.017 0.000 0.908 17 L HN 0.471 nan 8.230 nan 0.000 0.438 18 A N -0.631 122.199 122.820 0.016 0.000 2.206 18 A HA 0.027 4.348 4.320 0.000 0.000 0.211 18 A C 2.203 179.801 177.584 0.024 0.000 1.158 18 A CA 0.539 52.582 52.037 0.011 0.000 0.761 18 A CB -0.308 18.687 19.000 -0.008 0.000 0.801 18 A HN 0.196 nan 8.150 nan 0.000 0.473 19 V N -0.914 119.024 119.914 0.041 0.000 2.283 19 V HA 0.025 4.145 4.120 0.000 0.000 0.243 19 V C 1.230 177.351 176.094 0.046 0.000 1.039 19 V CA 1.746 64.072 62.300 0.045 0.000 1.016 19 V CB -0.300 31.559 31.823 0.060 0.000 0.650 19 V HN 0.550 nan 8.190 nan 0.000 0.449 20 S N -2.005 113.732 115.700 0.061 0.000 2.547 20 S HA 0.431 4.901 4.470 0.000 0.000 0.270 20 S C -2.642 172.007 174.600 0.082 0.000 1.150 20 S CA -0.789 57.449 58.200 0.064 0.000 0.850 20 S CB 1.948 65.188 63.200 0.066 0.000 1.118 20 S HN 0.037 nan 8.310 nan 0.000 0.461 21 P HA 0.009 nan 4.420 nan 0.000 0.230 21 P C 1.244 178.631 177.300 0.145 0.000 1.158 21 P CA 0.760 63.898 63.100 0.064 0.000 0.769 21 P CB -0.140 31.581 31.700 0.035 0.000 0.807 22 M N -3.680 116.033 119.600 0.188 0.000 2.509 22 M HA 0.147 4.627 4.480 0.000 0.000 0.250 22 M C 0.158 176.646 176.300 0.314 0.000 1.132 22 M CA 0.497 55.968 55.300 0.284 0.000 1.080 22 M CB -0.676 32.014 32.600 0.150 0.000 1.408 22 M HN -0.286 nan 8.290 nan 0.000 0.484 23 c N 3.337 122.085 118.600 0.247 0.000 2.644 23 c HA 0.704 5.274 4.570 0.000 0.000 0.417 23 c C 0.969 175.256 174.090 0.328 0.000 1.304 23 c CA -0.411 56.043 56.329 0.208 0.000 2.035 23 c CB 0.030 42.637 42.510 0.162 0.000 2.673 23 c HN 0.605 nan 8.230 nan 0.000 0.602 24 A N 3.620 126.571 122.820 0.219 0.000 2.469 24 A HA 0.863 5.183 4.320 0.000 0.000 0.299 24 A C -1.221 176.517 177.584 0.256 0.000 1.098 24 A CA -0.436 51.763 52.037 0.270 0.000 0.737 24 A CB 1.269 20.280 19.000 0.017 0.000 1.312 24 A HN 0.970 nan 8.150 nan 0.000 0.414 25 W N 1.219 122.561 121.300 0.070 0.000 2.736 25 W HA 0.538 5.198 4.660 0.000 0.000 0.335 25 W C -1.482 175.047 176.519 0.017 0.000 1.059 25 W CA -0.809 56.555 57.345 0.032 0.000 1.226 25 W CB 1.799 31.277 29.460 0.029 0.000 1.416 25 W HN 0.856 nan 8.180 nan 0.000 0.505 26 c N 4.465 122.741 118.600 -0.539 0.000 2.264 26 c HA 0.464 5.034 4.570 0.000 0.000 0.324 26 c C 1.005 174.837 174.090 -0.430 0.000 1.267 26 c CA -0.152 55.962 56.329 -0.359 0.000 1.618 26 c CB 0.512 42.831 42.510 -0.317 0.000 2.278 26 c HN 0.643 nan 8.230 nan 0.000 0.499 27 S N 2.602 118.295 115.700 -0.012 0.000 2.593 27 S HA 0.019 4.489 4.470 0.000 0.000 0.217 27 S C 0.475 175.092 174.600 0.028 0.000 0.966 27 S CA 0.026 58.296 58.200 0.117 0.000 0.914 27 S CB -0.366 62.943 63.200 0.183 0.000 0.776 27 S HN 0.921 nan 8.310 nan 0.000 0.523 28 D N 2.475 122.863 120.400 -0.019 0.000 2.520 28 D HA -0.048 4.592 4.640 0.000 0.000 0.243 28 D C 0.796 177.107 176.300 0.019 0.000 1.160 28 D CA 0.467 54.465 54.000 -0.002 0.000 0.877 28 D CB 0.579 41.362 40.800 -0.027 0.000 1.150 28 D HN 0.367 nan 8.370 nan 0.000 0.494 29 E N 2.346 122.587 120.200 0.068 0.000 2.204 29 E HA -0.114 4.236 4.350 0.000 0.000 0.194 29 E C 0.922 177.559 176.600 0.061 0.000 0.989 29 E CA 0.645 57.113 56.400 0.114 0.000 0.824 29 E CB 0.139 29.940 29.700 0.168 0.000 0.756 29 E HN 0.463 nan 8.360 nan 0.000 0.477 30 A N 1.292 124.132 122.820 0.033 0.000 2.797 30 A HA 0.181 4.501 4.320 0.000 0.000 0.287 30 A C 0.121 177.700 177.584 -0.008 0.000 1.369 30 A CA -0.319 51.725 52.037 0.013 0.000 0.968 30 A CB -0.308 18.700 19.000 0.012 0.000 1.069 30 A HN 0.084 nan 8.150 nan 0.000 0.571 31 L N 0.723 121.934 121.223 -0.020 0.000 2.426 31 L HA 0.421 4.761 4.340 0.000 0.000 0.271 31 L C -2.249 174.597 176.870 -0.039 0.000 1.169 31 L CA -1.487 53.325 54.840 -0.047 0.000 0.836 31 L CB 0.176 42.184 42.059 -0.085 0.000 1.112 31 L HN 0.097 nan 8.230 nan 0.000 0.465 32 P HA 0.020 nan 4.420 nan 0.000 0.264 32 P C 0.762 178.040 177.300 -0.037 0.000 1.183 32 P CA 0.098 63.177 63.100 -0.035 0.000 0.763 32 P CB 0.450 32.128 31.700 -0.037 0.000 0.807 33 L N 1.868 123.075 121.223 -0.027 0.000 2.187 33 L HA -0.141 4.200 4.340 0.000 0.000 0.213 33 L C 2.259 179.112 176.870 -0.028 0.000 1.100 33 L CA 1.942 56.768 54.840 -0.024 0.000 0.765 33 L CB -0.844 41.204 42.059 -0.018 0.000 0.904 33 L HN 0.579 nan 8.230 nan 0.000 0.437 34 G N -1.613 107.168 108.800 -0.030 0.000 2.777 34 G HA2 -0.013 3.947 3.960 0.000 0.000 0.211 34 G HA3 -0.013 3.947 3.960 0.000 0.000 0.211 34 G C 0.668 175.544 174.900 -0.041 0.000 1.149 34 G CA -0.151 44.931 45.100 -0.030 0.000 0.785 34 G HN 0.208 nan 8.290 nan 0.000 0.536 35 S N 1.784 117.451 115.700 -0.055 0.000 2.576 35 S HA 0.382 4.852 4.470 0.000 0.000 0.276 35 S C -2.050 172.493 174.600 -0.094 0.000 1.339 35 S CA -0.664 57.493 58.200 -0.072 0.000 1.039 35 S CB 1.389 64.539 63.200 -0.083 0.000 0.902 35 S HN 0.175 nan 8.310 nan 0.000 0.516 36 P HA 0.279 nan 4.420 nan 0.000 0.276 36 P C -0.086 177.095 177.300 -0.199 0.000 1.235 36 P CA -0.397 62.636 63.100 -0.112 0.000 0.772 36 P CB 0.714 32.371 31.700 -0.072 0.000 0.871 37 R N 1.182 121.494 120.500 -0.313 0.000 2.200 37 R HA 0.101 4.441 4.340 0.000 0.000 0.208 37 R C 0.574 176.546 176.300 -0.546 0.000 1.033 37 R CA 0.365 56.079 56.100 -0.643 0.000 1.000 37 R CB -0.124 29.475 30.300 -1.169 0.000 0.906 37 R HN 0.416 nan 8.270 nan 0.000 0.462 38 c N 1.994 120.474 118.600 -0.199 0.000 2.271 38 c HA 0.446 5.017 4.570 0.000 0.000 0.323 38 c C -0.816 173.278 174.090 0.007 0.000 1.245 38 c CA -0.482 55.868 56.329 0.036 0.000 1.548 38 c CB -0.250 42.385 42.510 0.209 0.000 2.214 38 c HN 0.330 nan 8.230 nan 0.000 0.477 39 D N 2.540 122.939 120.400 -0.000 0.000 2.692 39 D HA 0.355 4.995 4.640 0.000 0.000 0.303 39 D C -0.985 175.296 176.300 -0.032 0.000 1.278 39 D CA -0.380 53.607 54.000 -0.021 0.000 0.852 39 D CB 1.338 42.104 40.800 -0.057 0.000 1.375 39 D HN 0.490 nan 8.370 nan 0.000 0.453 40 L N 1.878 123.068 121.223 -0.054 0.000 2.456 40 L HA 0.157 4.497 4.340 0.000 0.000 0.272 40 L C 2.056 178.817 176.870 -0.183 0.000 1.189 40 L CA -0.012 54.764 54.840 -0.108 0.000 0.846 40 L CB 0.438 42.447 42.059 -0.084 0.000 1.111 40 L HN 0.534 nan 8.230 nan 0.000 0.475 41 K N 1.912 122.101 120.400 -0.351 0.000 2.113 41 K HA -0.235 4.085 4.320 0.000 0.000 0.208 41 K C 1.529 177.999 176.600 -0.217 0.000 1.047 41 K CA 2.031 58.091 56.287 -0.378 0.000 0.928 41 K CB 0.192 32.274 32.500 -0.696 0.000 0.716 41 K HN 0.640 nan 8.250 nan 0.000 0.446 42 E N 0.500 120.592 120.200 -0.180 0.000 2.031 42 E HA -0.160 4.190 4.350 0.000 0.000 0.193 42 E C 1.812 178.358 176.600 -0.090 0.000 0.994 42 E CA 1.580 57.913 56.400 -0.112 0.000 0.800 42 E CB -0.138 29.510 29.700 -0.087 0.000 0.752 42 E HN 0.343 nan 8.360 nan 0.000 0.447 43 N N 0.118 118.765 118.700 -0.088 0.000 2.223 43 N HA -0.092 4.648 4.740 0.000 0.000 0.185 43 N C 1.663 177.127 175.510 -0.077 0.000 1.016 43 N CA 0.774 53.781 53.050 -0.071 0.000 0.863 43 N CB -0.087 38.362 38.487 -0.062 0.000 0.983 43 N HN 0.165 nan 8.380 nan 0.000 0.429 44 L N -0.004 121.163 121.223 -0.094 0.000 2.109 44 L HA 0.003 4.343 4.340 0.000 0.000 0.207 44 L C 2.063 178.884 176.870 -0.081 0.000 1.086 44 L CA 0.525 55.307 54.840 -0.097 0.000 0.760 44 L CB -0.302 41.690 42.059 -0.111 0.000 0.910 44 L HN 0.100 nan 8.230 nan 0.000 0.437 45 L N -0.212 120.965 121.223 -0.077 0.000 2.056 45 L HA -0.197 4.143 4.340 0.000 0.000 0.207 45 L C 2.576 179.416 176.870 -0.049 0.000 1.078 45 L CA 1.333 56.137 54.840 -0.060 0.000 0.749 45 L CB -0.393 41.631 42.059 -0.059 0.000 0.901 45 L HN 0.191 nan 8.230 nan 0.000 0.433 46 K N -0.051 120.318 120.400 -0.051 0.000 2.152 46 K HA -0.165 4.155 4.320 0.000 0.000 0.206 46 K C 0.390 176.965 176.600 -0.041 0.000 1.048 46 K CA 1.257 57.519 56.287 -0.042 0.000 0.933 46 K CB -0.166 32.309 32.500 -0.041 0.000 0.721 46 K HN 0.256 nan 8.250 nan 0.000 0.447 47 D N 0.731 121.101 120.400 -0.050 0.000 2.690 47 D HA 0.056 4.696 4.640 0.000 0.000 0.236 47 D C -0.508 175.763 176.300 -0.049 0.000 1.218 47 D CA 0.021 53.991 54.000 -0.050 0.000 0.829 47 D CB -0.036 40.727 40.800 -0.061 0.000 1.009 47 D HN 0.090 nan 8.370 nan 0.000 0.482 48 N N -1.025 117.651 118.700 -0.041 0.000 2.863 48 N HA -0.218 4.522 4.740 0.000 0.000 0.245 48 N C -0.067 175.422 175.510 -0.036 0.000 1.001 48 N CA 0.427 53.457 53.050 -0.034 0.000 0.901 48 N CB -2.169 36.300 38.487 -0.029 0.000 1.124 48 N HN 0.412 nan 8.380 nan 0.000 0.582 49 c N 1.698 120.270 118.600 -0.047 0.000 2.648 49 c HA 0.539 5.109 4.570 0.000 0.000 0.415 49 c C 1.470 175.541 174.090 -0.031 0.000 1.366 49 c CA -0.289 56.010 56.329 -0.050 0.000 1.756 49 c CB -1.151 41.315 42.510 -0.074 0.000 2.549 49 c HN 0.511 nan 8.230 nan 0.000 0.597 50 A N 8.443 131.252 122.820 -0.019 0.000 2.566 50 A HA 0.260 4.580 4.320 0.000 0.000 0.245 50 A C -1.015 176.569 177.584 -0.001 0.000 1.056 50 A CA -0.432 51.602 52.037 -0.005 0.000 0.757 50 A CB -0.169 18.834 19.000 0.004 0.000 0.979 50 A HN 0.827 nan 8.150 nan 0.000 0.508 51 P HA -0.183 nan 4.420 nan 0.000 0.216 51 P C 0.809 178.122 177.300 0.021 0.000 1.153 51 P CA 1.732 64.836 63.100 0.007 0.000 0.858 51 P CB 0.149 31.853 31.700 0.007 0.000 0.789 52 E N -1.310 118.903 120.200 0.023 0.000 2.481 52 E HA 0.028 4.378 4.350 0.000 0.000 0.195 52 E C 1.455 178.078 176.600 0.039 0.000 1.047 52 E CA 0.394 56.812 56.400 0.031 0.000 0.867 52 E CB -0.206 29.509 29.700 0.026 0.000 0.858 52 E HN 0.205 nan 8.360 nan 0.000 0.513 53 S N 0.369 116.091 115.700 0.036 0.000 2.524 53 S HA 0.146 4.616 4.470 0.000 0.000 0.216 53 S C 0.782 175.424 174.600 0.071 0.000 0.987 53 S CA -0.079 58.150 58.200 0.048 0.000 0.909 53 S CB 0.265 63.484 63.200 0.031 0.000 0.781 53 S HN 0.153 nan 8.310 nan 0.000 0.521 54 I N 3.023 123.631 120.570 0.065 0.000 2.533 54 I HA 0.074 4.244 4.170 0.000 0.000 0.284 54 I C 0.082 176.288 176.117 0.148 0.000 1.109 54 I CA 0.073 61.427 61.300 0.091 0.000 1.412 54 I CB 0.520 38.553 38.000 0.056 0.000 1.396 54 I HN 0.017 nan 8.210 nan 0.000 0.543 55 E N 7.084 127.411 120.200 0.211 0.000 2.115 55 E HA 0.284 4.634 4.350 0.000 0.000 0.282 55 E C -1.067 175.718 176.600 0.307 0.000 0.987 55 E CA -0.334 56.196 56.400 0.217 0.000 0.797 55 E CB 1.895 31.718 29.700 0.205 0.000 1.086 55 E HN 0.375 nan 8.360 nan 0.000 0.397 56 F N 5.401 125.388 119.950 0.061 0.000 3.282 56 F HA 0.217 4.744 4.527 0.000 0.000 0.398 56 F C -2.517 173.303 175.800 0.034 0.000 1.205 56 F CA -1.853 56.178 58.000 0.051 0.000 1.273 56 F CB 0.937 39.965 39.000 0.046 0.000 2.153 56 F HN 0.160 nan 8.300 nan 0.000 0.680 57 P HA 0.360 nan 4.420 nan 0.000 0.275 57 P C -0.931 176.078 177.300 -0.486 0.000 1.227 57 P CA -0.124 62.814 63.100 -0.270 0.000 0.781 57 P CB 2.106 33.719 31.700 -0.144 0.000 0.906 58 V N 2.235 121.948 119.914 -0.335 0.000 2.435 58 V HA 0.188 4.308 4.120 0.000 0.000 0.290 58 V C 0.658 176.658 176.094 -0.156 0.000 1.030 58 V CA -0.506 61.621 62.300 -0.287 0.000 0.881 58 V CB 1.506 33.219 31.823 -0.182 0.000 0.983 58 V HN 0.581 nan 8.190 nan 0.000 0.445 59 S N 4.329 119.955 115.700 -0.123 0.000 2.549 59 S HA 0.350 4.820 4.470 0.000 0.000 0.283 59 S C -0.014 174.556 174.600 -0.050 0.000 1.320 59 S CA -0.386 57.772 58.200 -0.071 0.000 1.058 59 S CB 0.221 63.396 63.200 -0.042 0.000 0.882 59 S HN 0.934 nan 8.310 nan 0.000 0.498 60 E N 0.455 120.629 120.200 -0.044 0.000 2.449 60 E HA 0.787 5.137 4.350 0.000 0.000 0.278 60 E C -1.521 175.060 176.600 -0.031 0.000 0.992 60 E CA -1.450 54.931 56.400 -0.031 0.000 0.807 60 E CB 1.647 31.323 29.700 -0.040 0.000 1.350 60 E HN 0.530 nan 8.360 nan 0.000 0.462 61 A N 1.100 123.908 122.820 -0.020 0.000 2.393 61 A HA 0.752 5.072 4.320 0.000 0.000 0.306 61 A C -1.034 176.519 177.584 -0.052 0.000 1.050 61 A CA -0.732 51.280 52.037 -0.042 0.000 0.724 61 A CB 1.674 20.690 19.000 0.026 0.000 1.248 61 A HN 0.573 nan 8.150 nan 0.000 0.424 62 R N 2.091 122.538 120.500 -0.089 0.000 2.538 62 R HA 0.565 4.905 4.340 0.000 0.000 0.292 62 R C -1.615 174.630 176.300 -0.092 0.000 1.008 62 R CA -0.441 55.615 56.100 -0.074 0.000 0.896 62 R CB 1.858 32.116 30.300 -0.070 0.000 1.187 62 R HN 0.548 nan 8.270 nan 0.000 0.440 63 V N 6.459 126.333 119.914 -0.067 0.000 2.555 63 V HA 0.132 4.252 4.120 0.000 0.000 0.286 63 V C 1.038 177.093 176.094 -0.064 0.000 1.044 63 V CA 0.031 62.289 62.300 -0.069 0.000 1.026 63 V CB 1.323 33.121 31.823 -0.041 0.000 0.981 63 V HN 0.816 nan 8.190 nan 0.000 0.480 64 L N 2.619 123.797 121.223 -0.075 0.000 2.435 64 L HA 0.360 4.700 4.340 0.000 0.000 0.195 64 L C 0.653 177.494 176.870 -0.048 0.000 1.072 64 L CA 0.448 55.251 54.840 -0.063 0.000 0.833 64 L CB 0.235 42.247 42.059 -0.077 0.000 1.081 64 L HN 0.586 nan 8.230 nan 0.000 0.485 65 E N 0.352 120.522 120.200 -0.051 0.000 2.176 65 E HA 0.225 4.575 4.350 0.000 0.000 0.267 65 E C -1.074 175.508 176.600 -0.029 0.000 0.893 65 E CA -0.150 56.229 56.400 -0.035 0.000 0.761 65 E CB 1.991 31.670 29.700 -0.035 0.000 1.133 65 E HN -0.066 nan 8.360 nan 0.000 0.409 66 D N 2.786 123.176 120.400 -0.016 0.000 2.997 66 D HA 0.113 4.753 4.640 0.000 0.000 0.362 66 D C -0.797 175.503 176.300 0.001 0.000 1.298 66 D CA -0.425 53.570 54.000 -0.008 0.000 0.756 66 D CB 0.195 40.989 40.800 -0.009 0.000 1.216 66 D HN 0.224 nan 8.370 nan 0.000 0.496 67 R N 1.091 121.594 120.500 0.004 0.000 2.623 67 R HA 0.300 4.640 4.340 0.000 0.000 0.271 67 R C -2.102 174.207 176.300 0.016 0.000 1.043 67 R CA -0.975 55.132 56.100 0.011 0.000 1.083 67 R CB 0.144 30.453 30.300 0.014 0.000 0.974 67 R HN 0.137 nan 8.270 nan 0.000 0.436 68 P HA -0.056 nan 4.420 nan 0.000 0.267 68 P C -0.435 176.881 177.300 0.028 0.000 1.200 68 P CA 0.073 63.185 63.100 0.020 0.000 0.772 68 P CB 0.458 32.169 31.700 0.018 0.000 0.855 69 L N 1.470 122.711 121.223 0.031 0.000 2.490 69 L HA 0.033 4.373 4.340 0.000 0.000 0.274 69 L C 0.996 177.889 176.870 0.038 0.000 1.201 69 L CA 0.269 55.133 54.840 0.039 0.000 0.869 69 L CB -0.102 41.980 42.059 0.039 0.000 1.123 69 L HN 0.388 nan 8.230 nan 0.000 0.484 70 S N 1.556 117.283 115.700 0.044 0.000 2.562 70 S HA 0.001 4.471 4.470 0.000 0.000 0.281 70 S C 0.606 175.231 174.600 0.043 0.000 1.333 70 S CA -0.735 57.492 58.200 0.045 0.000 1.052 70 S CB 0.904 64.138 63.200 0.057 0.000 0.884 70 S HN 0.571 nan 8.310 nan 0.000 0.506 71 D N 1.375 121.798 120.400 0.038 0.000 2.120 71 D HA 0.045 4.685 4.640 0.000 0.000 0.202 71 D C 0.190 176.517 176.300 0.044 0.000 0.972 71 D CA 1.214 55.236 54.000 0.036 0.000 0.837 71 D CB 0.243 41.060 40.800 0.029 0.000 0.989 71 D HN 0.270 nan 8.370 nan 0.000 0.469 72 K N -0.285 120.144 120.400 0.049 0.000 2.259 72 K HA 0.546 4.866 4.320 0.000 0.000 0.249 72 K C 0.626 177.275 176.600 0.081 0.000 0.942 72 K CA -0.731 55.592 56.287 0.060 0.000 0.816 72 K CB 1.952 34.480 32.500 0.046 0.000 1.155 72 K HN -0.055 nan 8.250 nan 0.000 0.428 73 G N 0.436 109.306 108.800 0.116 0.000 3.434 73 G HA2 0.023 3.983 3.960 0.000 0.000 0.258 73 G HA3 0.023 3.983 3.960 0.000 0.000 0.258 73 G C 0.356 175.300 174.900 0.073 0.000 1.128 73 G CA -0.176 45.027 45.100 0.172 0.000 0.792 73 G HN 0.526 nan 8.290 nan 0.000 0.539 74 S N -0.647 115.078 115.700 0.041 0.000 2.646 74 S HA 0.780 5.250 4.470 0.000 0.000 0.273 74 S C 1.091 175.691 174.600 0.000 0.000 1.168 74 S CA 0.183 58.386 58.200 0.004 0.000 1.013 74 S CB 1.123 64.330 63.200 0.011 0.000 1.098 74 S HN 1.545 nan 8.310 nan 0.000 0.544 75 G N 0.536 109.331 108.800 -0.008 0.000 2.575 75 G HA2 -0.229 3.731 3.960 0.000 0.000 0.267 75 G HA3 -0.229 3.731 3.960 0.000 0.000 0.267 75 G C -0.936 173.959 174.900 -0.009 0.000 1.264 75 G CA 0.182 45.279 45.100 -0.005 0.000 0.935 75 G HN 0.941 nan 8.290 nan 0.000 0.568 76 D N 1.127 121.527 120.400 -0.000 0.000 2.389 76 D HA 0.435 5.075 4.640 0.000 0.000 0.278 76 D C 0.933 177.235 176.300 0.004 0.000 1.398 76 D CA 1.080 55.081 54.000 0.001 0.000 1.090 76 D CB 0.589 41.393 40.800 0.006 0.000 1.108 76 D HN 0.613 nan 8.370 nan 0.000 0.532 77 S N 1.347 117.042 115.700 -0.008 0.000 2.617 77 S HA 0.164 4.635 4.470 0.000 0.000 0.255 77 S C 0.699 175.309 174.600 0.015 0.000 1.318 77 S CA -0.152 58.046 58.200 -0.002 0.000 0.978 77 S CB 0.348 63.520 63.200 -0.047 0.000 0.961 77 S HN 0.552 nan 8.310 nan 0.000 0.582 78 S N 0.122 115.841 115.700 0.032 0.000 3.490 78 S HA -0.159 4.311 4.470 0.000 0.000 0.301 78 S C 0.057 174.678 174.600 0.035 0.000 1.233 78 S CA 1.209 59.430 58.200 0.036 0.000 0.914 78 S CB -1.428 61.787 63.200 0.026 0.000 1.047 78 S HN 0.721 nan 8.310 nan 0.000 0.602 79 Q N -0.092 119.733 119.800 0.042 0.000 2.330 79 Q HA 0.455 4.795 4.340 0.000 0.000 0.290 79 Q C -1.312 174.720 176.000 0.053 0.000 0.805 79 Q CA -0.001 55.826 55.803 0.040 0.000 1.054 79 Q CB 0.810 29.565 28.738 0.028 0.000 1.367 79 Q HN 0.321 nan 8.270 nan 0.000 0.387 80 V N 1.079 121.039 119.914 0.076 0.000 2.384 80 V HA 0.590 4.710 4.120 0.000 0.000 0.287 80 V C -0.119 176.027 176.094 0.088 0.000 1.020 80 V CA -0.344 62.014 62.300 0.098 0.000 0.850 80 V CB 1.875 33.800 31.823 0.171 0.000 0.987 80 V HN 0.295 nan 8.190 nan 0.000 0.436 81 T N 5.304 119.900 114.554 0.070 0.000 2.743 81 T HA 0.311 4.661 4.350 0.000 0.000 0.292 81 T C 0.643 175.386 174.700 0.072 0.000 0.972 81 T CA -0.253 61.886 62.100 0.065 0.000 0.967 81 T CB 1.304 70.201 68.868 0.049 0.000 0.926 81 T HN 0.751 nan 8.240 nan 0.000 0.459 82 Q N 1.634 121.491 119.800 0.095 0.000 2.316 82 Q HA 0.278 4.618 4.340 0.000 0.000 0.235 82 Q C 0.016 176.108 176.000 0.153 0.000 0.863 82 Q CA 0.097 55.989 55.803 0.148 0.000 0.939 82 Q CB 1.011 29.884 28.738 0.225 0.000 1.108 82 Q HN 0.370 nan 8.270 nan 0.000 0.522 83 V N 0.701 120.676 119.914 0.103 0.000 2.656 83 V HA 0.520 4.640 4.120 0.000 0.000 0.307 83 V C -0.822 175.300 176.094 0.046 0.000 1.051 83 V CA -0.691 61.645 62.300 0.059 0.000 0.893 83 V CB 1.952 33.796 31.823 0.035 0.000 0.999 83 V HN 0.071 nan 8.190 nan 0.000 0.426 84 S N 6.608 122.335 115.700 0.045 0.000 2.575 84 S HA 0.721 5.191 4.470 0.000 0.000 0.278 84 S C -2.942 171.685 174.600 0.045 0.000 1.139 84 S CA -1.264 56.958 58.200 0.037 0.000 0.954 84 S CB 2.656 65.877 63.200 0.035 0.000 1.054 84 S HN 0.503 nan 8.310 nan 0.000 0.483 85 P HA 0.378 nan 4.420 nan 0.000 0.279 85 P C -0.301 176.992 177.300 -0.011 0.000 1.282 85 P CA -0.213 62.889 63.100 0.003 0.000 0.788 85 P CB 0.674 32.365 31.700 -0.014 0.000 1.139 86 Q N -1.431 118.352 119.800 -0.027 0.000 2.396 86 Q HA 0.223 4.563 4.340 0.000 0.000 0.220 86 Q C 0.777 176.732 176.000 -0.075 0.000 0.900 86 Q CA 0.759 56.541 55.803 -0.036 0.000 0.925 86 Q CB 0.554 29.280 28.738 -0.019 0.000 1.065 86 Q HN 0.325 nan 8.270 nan 0.000 0.535 87 R N 0.332 120.777 120.500 -0.093 0.000 2.564 87 R HA 0.556 4.896 4.340 0.000 0.000 0.284 87 R C -1.635 174.568 176.300 -0.162 0.000 1.031 87 R CA -0.281 55.739 56.100 -0.133 0.000 0.904 87 R CB 1.076 31.313 30.300 -0.105 0.000 1.199 87 R HN 0.049 nan 8.270 nan 0.000 0.443 88 I N 2.423 122.849 120.570 -0.240 0.000 2.689 88 I HA 0.481 4.651 4.170 0.000 0.000 0.299 88 I C -0.430 175.521 176.117 -0.277 0.000 1.059 88 I CA -1.087 60.047 61.300 -0.276 0.000 1.055 88 I CB 2.263 40.003 38.000 -0.433 0.000 1.243 88 I HN 0.712 nan 8.210 nan 0.000 0.425 89 A N 6.302 128.990 122.820 -0.220 0.000 2.280 89 A HA 0.618 4.938 4.320 0.000 0.000 0.320 89 A C -1.000 176.459 177.584 -0.207 0.000 1.366 89 A CA -0.338 51.581 52.037 -0.197 0.000 0.938 89 A CB 0.477 19.394 19.000 -0.138 0.000 1.157 89 A HN 0.517 nan 8.150 nan 0.000 0.536 90 L N 2.476 123.555 121.223 -0.240 0.000 2.289 90 L HA 0.739 5.079 4.340 0.000 0.000 0.285 90 L C 0.068 176.825 176.870 -0.188 0.000 1.049 90 L CA -0.260 54.458 54.840 -0.204 0.000 0.804 90 L CB 1.321 43.252 42.059 -0.213 0.000 1.195 90 L HN 0.711 nan 8.230 nan 0.000 0.428 91 R N 4.755 125.170 120.500 -0.141 0.000 2.476 91 R HA 0.753 5.093 4.340 0.000 0.000 0.305 91 R C -2.084 174.152 176.300 -0.106 0.000 0.965 91 R CA -0.293 55.723 56.100 -0.140 0.000 0.867 91 R CB 0.817 31.055 30.300 -0.104 0.000 1.176 91 R HN 0.696 nan 8.270 nan 0.000 0.447 92 L N 5.056 126.210 121.223 -0.115 0.000 2.410 92 L HA 0.636 4.976 4.340 0.000 0.000 0.270 92 L C -0.075 176.820 176.870 0.040 0.000 0.983 92 L CA -1.041 53.784 54.840 -0.025 0.000 0.822 92 L CB 2.092 44.159 42.059 0.014 0.000 1.285 92 L HN 0.684 nan 8.230 nan 0.000 0.409 93 R N 1.901 122.415 120.500 0.025 0.000 2.596 93 R HA 0.664 5.004 4.340 0.000 0.000 0.267 93 R C -2.728 173.608 176.300 0.059 0.000 1.026 93 R CA -1.973 54.147 56.100 0.033 0.000 1.087 93 R CB 0.375 30.658 30.300 -0.028 0.000 1.132 93 R HN 0.152 nan 8.270 nan 0.000 0.531 94 P HA -0.075 nan 4.420 nan 0.000 0.263 94 P C -0.834 176.486 177.300 0.033 0.000 1.175 94 P CA 0.654 63.778 63.100 0.040 0.000 0.761 94 P CB 0.204 31.913 31.700 0.016 0.000 0.794 95 D N -0.534 119.885 120.400 0.031 0.000 2.882 95 D HA -0.207 4.433 4.640 0.000 0.000 0.229 95 D C -0.037 176.280 176.300 0.028 0.000 1.167 95 D CA 1.448 55.462 54.000 0.024 0.000 0.759 95 D CB -0.892 39.917 40.800 0.015 0.000 1.088 95 D HN 0.436 nan 8.370 nan 0.000 0.425 96 D N -0.872 119.550 120.400 0.037 0.000 2.299 96 D HA 0.603 5.243 4.640 0.000 0.000 0.243 96 D C -0.504 175.816 176.300 0.032 0.000 0.982 96 D CA -0.423 53.593 54.000 0.028 0.000 0.924 96 D CB 1.338 42.148 40.800 0.017 0.000 1.238 96 D HN -0.008 nan 8.370 nan 0.000 0.484 97 S N 0.754 116.466 115.700 0.020 0.000 2.548 97 S HA 0.790 5.260 4.470 0.000 0.000 0.286 97 S C -0.774 173.837 174.600 0.017 0.000 1.098 97 S CA -0.919 57.291 58.200 0.018 0.000 0.930 97 S CB 2.395 65.595 63.200 -0.000 0.000 1.070 97 S HN 0.345 nan 8.310 nan 0.000 0.480 98 K N 1.353 121.773 120.400 0.034 0.000 2.477 98 K HA 0.541 4.861 4.320 0.000 0.000 0.255 98 K C -1.316 175.316 176.600 0.053 0.000 0.952 98 K CA -0.543 55.773 56.287 0.049 0.000 0.826 98 K CB 1.437 33.980 32.500 0.071 0.000 1.331 98 K HN 0.883 nan 8.250 nan 0.000 0.437 99 N N 2.170 120.890 118.700 0.033 0.000 2.404 99 N HA 0.591 5.331 4.740 0.000 0.000 0.297 99 N C -0.810 174.753 175.510 0.088 0.000 1.163 99 N CA -0.384 52.628 53.050 -0.064 0.000 0.864 99 N CB 1.105 39.528 38.487 -0.106 0.000 1.247 99 N HN 0.488 nan 8.380 nan 0.000 0.510 100 F N -2.134 117.798 119.950 -0.030 0.000 2.923 100 F HA 0.770 5.297 4.527 0.000 0.000 0.323 100 F C -0.727 175.071 175.800 -0.004 0.000 1.189 100 F CA -1.096 56.892 58.000 -0.020 0.000 0.930 100 F CB 1.015 39.998 39.000 -0.028 0.000 1.414 100 F HN 0.668 nan 8.300 nan 0.000 0.496 101 S N 0.516 116.367 115.700 0.252 0.000 2.651 101 S HA 0.827 5.297 4.470 0.000 0.000 0.279 101 S C -1.671 173.066 174.600 0.228 0.000 1.148 101 S CA -0.721 57.569 58.200 0.150 0.000 0.837 101 S CB 2.112 65.361 63.200 0.081 0.000 1.138 101 S HN 1.162 nan 8.310 nan 0.000 0.478 102 I N 0.607 121.301 120.570 0.207 0.000 2.619 102 I HA 0.417 4.587 4.170 0.000 0.000 0.292 102 I C -1.392 174.832 176.117 0.178 0.000 1.100 102 I CA -0.560 60.857 61.300 0.196 0.000 1.043 102 I CB 2.097 40.226 38.000 0.215 0.000 1.239 102 I HN 0.814 nan 8.210 nan 0.000 0.420 103 Q N 5.546 125.414 119.800 0.112 0.000 2.271 103 Q HA 0.592 4.932 4.340 0.000 0.000 0.258 103 Q C -1.455 174.592 176.000 0.077 0.000 0.936 103 Q CA -0.751 55.099 55.803 0.078 0.000 0.909 103 Q CB 2.750 31.515 28.738 0.045 0.000 1.253 103 Q HN 0.451 nan 8.270 nan 0.000 0.440 104 V N 3.107 123.064 119.914 0.072 0.000 2.531 104 V HA 0.503 4.623 4.120 0.000 0.000 0.301 104 V C -0.508 175.619 176.094 0.055 0.000 1.034 104 V CA -0.798 61.522 62.300 0.033 0.000 0.865 104 V CB 1.853 33.657 31.823 -0.030 0.000 0.995 104 V HN 0.661 nan 8.190 nan 0.000 0.424 105 R N 2.961 123.529 120.500 0.113 0.000 2.562 105 R HA 0.560 4.900 4.340 0.000 0.000 0.298 105 R C -0.680 175.742 176.300 0.204 0.000 0.961 105 R CA -0.795 55.376 56.100 0.118 0.000 0.881 105 R CB 1.668 32.015 30.300 0.078 0.000 1.159 105 R HN 0.672 nan 8.270 nan 0.000 0.450 106 Q N 3.155 123.039 119.800 0.139 0.000 2.423 106 Q HA 0.199 4.539 4.340 0.000 0.000 0.235 106 Q C -1.070 174.927 176.000 -0.005 0.000 1.100 106 Q CA -0.185 55.661 55.803 0.072 0.000 0.908 106 Q CB 1.061 29.828 28.738 0.049 0.000 1.312 106 Q HN 0.430 nan 8.270 nan 0.000 0.497 107 V N 3.948 123.826 119.914 -0.060 0.000 2.521 107 V HA 0.021 4.141 4.120 0.000 0.000 0.286 107 V C 0.581 176.690 176.094 0.026 0.000 1.034 107 V CA -0.246 62.047 62.300 -0.013 0.000 1.045 107 V CB 0.971 32.786 31.823 -0.012 0.000 0.974 107 V HN 0.730 nan 8.190 nan 0.000 0.480 108 E N 3.832 124.062 120.200 0.049 0.000 2.452 108 E HA 0.015 4.365 4.350 0.000 0.000 0.261 108 E C 0.353 177.014 176.600 0.101 0.000 0.987 108 E CA 0.312 56.754 56.400 0.069 0.000 0.926 108 E CB 0.159 29.891 29.700 0.053 0.000 0.934 108 E HN 0.756 nan 8.360 nan 0.000 0.452 109 D N 2.534 123.007 120.400 0.121 0.000 2.778 109 D HA -0.253 4.387 4.640 0.000 0.000 0.246 109 D C -1.818 174.576 176.300 0.157 0.000 1.107 109 D CA 0.603 54.673 54.000 0.117 0.000 0.732 109 D CB -1.329 39.515 40.800 0.072 0.000 1.055 109 D HN 0.369 nan 8.370 nan 0.000 0.429 110 Y N 0.117 120.441 120.300 0.040 0.000 2.376 110 Y HA 0.548 5.098 4.550 0.000 0.000 0.325 110 Y C -1.905 174.010 175.900 0.024 0.000 1.199 110 Y CA -2.013 56.097 58.100 0.017 0.000 1.206 110 Y CB 1.076 39.530 38.460 -0.011 0.000 1.229 110 Y HN -0.015 nan 8.280 nan 0.000 0.480 111 P HA 0.099 nan 4.420 nan 0.000 0.268 111 P C -1.409 175.838 177.300 -0.089 0.000 1.205 111 P CA 0.229 63.185 63.100 -0.241 0.000 0.771 111 P CB 0.623 32.121 31.700 -0.336 0.000 0.858 112 V N 3.507 123.402 119.914 -0.032 0.000 2.588 112 V HA 0.331 4.451 4.120 0.000 0.000 0.304 112 V C -0.442 175.695 176.094 0.072 0.000 1.042 112 V CA -0.529 61.779 62.300 0.013 0.000 0.877 112 V CB 2.145 33.873 31.823 -0.158 0.000 0.996 112 V HN 0.410 nan 8.190 nan 0.000 0.425 113 D N 4.230 124.759 120.400 0.216 0.000 2.217 113 D HA 0.610 5.250 4.640 0.000 0.000 0.243 113 D C -0.547 175.966 176.300 0.354 0.000 1.054 113 D CA -0.031 54.156 54.000 0.310 0.000 0.838 113 D CB 2.301 43.445 40.800 0.573 0.000 1.162 113 D HN 0.358 nan 8.370 nan 0.000 0.472 114 I N 2.564 123.281 120.570 0.245 0.000 2.448 114 I HA 0.166 4.336 4.170 0.000 0.000 0.281 114 I C -1.081 175.216 176.117 0.299 0.000 1.027 114 I CA -0.995 60.466 61.300 0.268 0.000 1.111 114 I CB 1.220 39.306 38.000 0.143 0.000 1.236 114 I HN 0.218 nan 8.210 nan 0.000 0.452 115 Y N 6.952 127.384 120.300 0.220 0.000 2.353 115 Y HA 0.307 4.857 4.550 0.000 0.000 0.340 115 Y C -0.921 175.144 175.900 0.276 0.000 0.972 115 Y CA -0.668 57.529 58.100 0.163 0.000 1.157 115 Y CB 0.809 39.228 38.460 -0.068 0.000 1.157 115 Y HN 0.441 nan 8.280 nan 0.000 0.495 116 Y N 7.557 127.762 120.300 -0.158 0.000 2.425 116 Y HA 0.424 4.974 4.550 0.000 0.000 0.347 116 Y C -1.346 174.292 175.900 -0.436 0.000 0.976 116 Y CA -0.658 57.396 58.100 -0.077 0.000 1.190 116 Y CB 0.505 39.129 38.460 0.272 0.000 1.136 116 Y HN 0.627 nan 8.280 nan 0.000 0.517 117 L N 8.181 129.226 121.223 -0.297 0.000 2.294 117 L HA 0.503 4.844 4.340 0.000 0.000 0.283 117 L C -1.105 175.674 176.870 -0.152 0.000 1.015 117 L CA -0.507 54.263 54.840 -0.117 0.000 0.831 117 L CB 1.004 43.228 42.059 0.275 0.000 1.217 117 L HN 0.773 nan 8.230 nan 0.000 0.420 118 M N 3.944 123.388 119.600 -0.259 0.000 2.243 118 M HA 0.340 4.820 4.480 0.000 0.000 0.324 118 M C -0.808 175.064 176.300 -0.713 0.000 1.031 118 M CA -0.687 54.417 55.300 -0.325 0.000 0.949 118 M CB 1.276 33.831 32.600 -0.075 0.000 1.615 118 M HN 0.597 nan 8.290 nan 0.000 0.430 119 D N 4.847 124.649 120.400 -0.997 0.000 2.401 119 D HA 0.091 4.731 4.640 0.000 0.000 0.254 119 D C -0.439 175.533 176.300 -0.546 0.000 1.192 119 D CA 0.478 53.732 54.000 -1.243 0.000 0.885 119 D CB 0.564 40.952 40.800 -0.685 0.000 1.147 119 D HN 0.708 nan 8.370 nan 0.000 0.478 120 L N 3.422 124.394 121.223 -0.419 0.000 3.218 120 L HA 0.089 4.429 4.340 0.000 0.000 0.279 120 L C 0.924 177.727 176.870 -0.111 0.000 1.287 120 L CA -0.423 54.338 54.840 -0.132 0.000 1.024 120 L CB 0.101 42.232 42.059 0.120 0.000 1.409 120 L HN 0.305 nan 8.230 nan 0.000 0.580 121 S N -1.764 113.848 115.700 -0.147 0.000 2.617 121 S HA -0.045 4.425 4.470 0.000 0.000 0.255 121 S C 0.995 175.601 174.600 0.010 0.000 1.318 121 S CA -0.108 58.068 58.200 -0.039 0.000 0.978 121 S CB 0.526 63.717 63.200 -0.016 0.000 0.961 121 S HN 0.266 nan 8.310 nan 0.000 0.582 122 Y N 1.383 121.659 120.300 -0.039 0.000 2.293 122 Y HA -0.070 4.480 4.550 0.000 0.000 0.291 122 Y C 2.730 178.586 175.900 -0.073 0.000 1.137 122 Y CA 1.718 59.795 58.100 -0.040 0.000 1.202 122 Y CB -0.638 37.818 38.460 -0.007 0.000 0.990 122 Y HN 0.805 nan 8.280 nan 0.000 0.537 123 S N -1.239 114.452 115.700 -0.015 0.000 2.555 123 S HA -0.085 4.385 4.470 0.000 0.000 0.230 123 S C 1.406 175.897 174.600 -0.182 0.000 0.978 123 S CA 0.757 58.906 58.200 -0.085 0.000 0.934 123 S CB -0.287 62.903 63.200 -0.018 0.000 0.766 123 S HN 0.348 nan 8.310 nan 0.000 0.533 124 M N 0.611 120.081 119.600 -0.216 0.000 2.333 124 M HA 0.321 4.801 4.480 0.000 0.000 0.257 124 M C 1.718 177.816 176.300 -0.336 0.000 1.078 124 M CA 0.163 55.325 55.300 -0.232 0.000 1.005 124 M CB -0.379 32.112 32.600 -0.181 0.000 1.444 124 M HN 0.396 nan 8.290 nan 0.000 0.496 125 K N 1.736 121.851 120.400 -0.474 0.000 2.103 125 K HA -0.205 4.115 4.320 0.000 0.000 0.207 125 K C 1.407 177.395 176.600 -1.020 0.000 1.048 125 K CA 2.072 57.979 56.287 -0.634 0.000 0.930 125 K CB 0.117 32.164 32.500 -0.755 0.000 0.716 125 K HN 0.365 nan 8.250 nan 0.000 0.444 126 D N 0.015 119.790 120.400 -1.042 0.000 2.224 126 D HA -0.156 4.484 4.640 0.000 0.000 0.205 126 D C 0.909 176.849 176.300 -0.601 0.000 0.965 126 D CA 1.127 54.343 54.000 -1.306 0.000 0.852 126 D CB -0.391 39.967 40.800 -0.736 0.000 0.947 126 D HN 0.243 nan 8.370 nan 0.000 0.494 127 D N 0.683 120.856 120.400 -0.379 0.000 2.178 127 D HA -0.048 4.592 4.640 0.000 0.000 0.201 127 D C 2.206 178.436 176.300 -0.117 0.000 0.980 127 D CA 0.428 54.330 54.000 -0.163 0.000 0.842 127 D CB -0.179 40.557 40.800 -0.107 0.000 0.948 127 D HN 0.179 nan 8.370 nan 0.000 0.472 128 L N -0.030 121.066 121.223 -0.212 0.000 2.079 128 L HA -0.172 4.168 4.340 0.000 0.000 0.210 128 L C 1.988 178.860 176.870 0.004 0.000 1.081 128 L CA 0.935 55.704 54.840 -0.117 0.000 0.752 128 L CB -0.221 41.745 42.059 -0.154 0.000 0.896 128 L HN 0.261 nan 8.230 nan 0.000 0.433 129 W N -0.277 120.998 121.300 -0.043 0.000 2.358 129 W HA -0.127 4.533 4.660 0.000 0.000 0.303 129 W C 2.793 179.293 176.519 -0.032 0.000 1.208 129 W CA 0.950 58.271 57.345 -0.041 0.000 1.274 129 W CB -1.552 27.886 29.460 -0.037 0.000 1.138 129 W HN 0.153 nan 8.180 nan 0.000 0.515 130 S N 0.820 116.639 115.700 0.199 0.000 2.399 130 S HA -0.139 4.331 4.470 0.000 0.000 0.231 130 S C 1.599 176.243 174.600 0.074 0.000 1.022 130 S CA 1.479 59.754 58.200 0.124 0.000 0.983 130 S CB -0.611 62.644 63.200 0.092 0.000 0.803 130 S HN 0.439 nan 8.310 nan 0.000 0.480 131 I N -1.036 119.564 120.570 0.051 0.000 3.855 131 I HA 0.245 4.415 4.170 0.000 0.000 0.327 131 I C 1.543 177.658 176.117 -0.004 0.000 1.359 131 I CA -0.154 61.154 61.300 0.014 0.000 1.142 131 I CB -0.024 37.967 38.000 -0.015 0.000 1.041 131 I HN -0.074 nan 8.210 nan 0.000 0.403 132 Q N 2.009 121.814 119.800 0.009 0.000 2.096 132 Q HA -0.073 4.267 4.340 0.000 0.000 0.204 132 Q C 0.670 176.664 176.000 -0.009 0.000 0.982 132 Q CA 1.372 57.165 55.803 -0.015 0.000 0.850 132 Q CB -0.279 28.464 28.738 0.007 0.000 0.901 132 Q HN 0.680 nan 8.270 nan 0.000 0.422 133 N N 0.411 119.115 118.700 0.006 0.000 2.389 133 N HA 0.044 4.784 4.740 0.000 0.000 0.260 133 N C 0.991 176.500 175.510 -0.002 0.000 1.191 133 N CA -0.020 53.033 53.050 0.007 0.000 0.885 133 N CB 0.688 39.172 38.487 -0.005 0.000 1.162 133 N HN 0.084 nan 8.380 nan 0.000 0.512 134 L N 0.983 122.212 121.223 0.009 0.000 2.141 134 L HA 0.100 4.440 4.340 0.000 0.000 0.209 134 L C 2.063 178.810 176.870 -0.206 0.000 1.094 134 L CA 1.552 56.353 54.840 -0.065 0.000 0.763 134 L CB -0.756 41.262 42.059 -0.067 0.000 0.908 134 L HN 0.172 nan 8.230 nan 0.000 0.437 135 G N -1.137 107.538 108.800 -0.208 0.000 2.491 135 G HA2 -0.352 3.608 3.960 0.000 0.000 0.218 135 G HA3 -0.352 3.608 3.960 0.000 0.000 0.218 135 G C 1.492 176.267 174.900 -0.207 0.000 1.180 135 G CA 1.570 46.429 45.100 -0.401 0.000 0.774 135 G HN 0.517 nan 8.290 nan 0.000 0.562 136 T N -0.457 114.040 114.554 -0.094 0.000 2.812 136 T HA 0.018 4.368 4.350 0.000 0.000 0.264 136 T C 2.205 176.862 174.700 -0.072 0.000 1.042 136 T CA 1.486 63.546 62.100 -0.068 0.000 1.140 136 T CB -0.189 68.657 68.868 -0.036 0.000 0.870 136 T HN 0.354 nan 8.240 nan 0.000 0.445 137 K N 0.568 120.925 120.400 -0.072 0.000 2.097 137 K HA 0.144 4.464 4.320 0.000 0.000 0.205 137 K C 2.157 178.714 176.600 -0.071 0.000 1.050 137 K CA 0.800 57.053 56.287 -0.057 0.000 0.938 137 K CB -0.384 32.092 32.500 -0.040 0.000 0.718 137 K HN 0.126 nan 8.250 nan 0.000 0.442 138 L N 1.283 122.437 121.223 -0.116 0.000 2.046 138 L HA -0.122 4.218 4.340 0.000 0.000 0.208 138 L C 2.203 179.005 176.870 -0.113 0.000 1.077 138 L CA 1.731 56.495 54.840 -0.127 0.000 0.747 138 L CB -0.793 41.137 42.059 -0.216 0.000 0.896 138 L HN 0.157 nan 8.230 nan 0.000 0.432 139 A N -1.565 121.182 122.820 -0.121 0.000 1.908 139 A HA -0.251 4.069 4.320 0.000 0.000 0.218 139 A C 2.249 179.795 177.584 -0.063 0.000 1.181 139 A CA 2.478 54.460 52.037 -0.091 0.000 0.627 139 A CB -1.244 17.708 19.000 -0.081 0.000 0.818 139 A HN 0.526 nan 8.150 nan 0.000 0.445 140 T N -0.097 114.425 114.554 -0.053 0.000 2.746 140 T HA -0.153 4.197 4.350 0.000 0.000 0.267 140 T C 2.009 176.693 174.700 -0.026 0.000 1.039 140 T CA 1.582 63.662 62.100 -0.034 0.000 1.142 140 T CB -0.224 68.627 68.868 -0.027 0.000 0.866 140 T HN 0.486 nan 8.240 nan 0.000 0.444 141 Q N 0.146 119.929 119.800 -0.028 0.000 2.137 141 Q HA 0.204 4.544 4.340 0.000 0.000 0.198 141 Q C 2.273 178.260 176.000 -0.021 0.000 0.960 141 Q CA 0.726 56.520 55.803 -0.015 0.000 0.847 141 Q CB -0.320 28.414 28.738 -0.007 0.000 0.915 141 Q HN 0.421 nan 8.270 nan 0.000 0.448 142 M N 0.021 119.591 119.600 -0.050 0.000 2.394 142 M HA -0.033 4.447 4.480 0.000 0.000 0.264 142 M C 1.608 177.874 176.300 -0.057 0.000 1.073 142 M CA 1.066 56.318 55.300 -0.080 0.000 1.111 142 M CB -0.453 32.070 32.600 -0.128 0.000 1.401 142 M HN 0.098 nan 8.290 nan 0.000 0.448 143 R N -0.203 120.274 120.500 -0.039 0.000 2.275 143 R HA 0.006 4.346 4.340 0.000 0.000 0.199 143 R C 1.914 178.211 176.300 -0.005 0.000 0.989 143 R CA 0.404 56.489 56.100 -0.024 0.000 1.016 143 R CB 0.137 30.422 30.300 -0.025 0.000 0.918 143 R HN 0.347 nan 8.270 nan 0.000 0.473 144 K N 0.246 120.647 120.400 0.001 0.000 2.148 144 K HA -0.072 4.248 4.320 0.000 0.000 0.204 144 K C 1.578 178.199 176.600 0.034 0.000 1.050 144 K CA 1.035 57.332 56.287 0.017 0.000 0.942 144 K CB 0.135 32.648 32.500 0.021 0.000 0.724 144 K HN 0.171 nan 8.250 nan 0.000 0.446 145 L N -0.679 120.566 121.223 0.037 0.000 2.316 145 L HA 0.069 4.409 4.340 0.000 0.000 0.207 145 L C 1.141 178.052 176.870 0.070 0.000 1.070 145 L CA 0.374 55.262 54.840 0.080 0.000 0.820 145 L CB 0.476 42.611 42.059 0.128 0.000 0.992 145 L HN 0.000 nan 8.230 nan 0.000 0.466 146 T N -2.172 112.392 114.554 0.016 0.000 2.909 146 T HA 0.295 4.645 4.350 0.000 0.000 0.299 146 T C 0.420 175.115 174.700 -0.009 0.000 1.073 146 T CA -0.444 61.661 62.100 0.009 0.000 0.999 146 T CB 1.903 70.755 68.868 -0.027 0.000 1.098 146 T HN -0.092 nan 8.240 nan 0.000 0.477 147 S N 2.979 118.675 115.700 -0.006 0.000 2.548 147 S HA 0.214 4.684 4.470 0.000 0.000 0.215 147 S C 0.659 175.244 174.600 -0.025 0.000 0.976 147 S CA -0.175 58.017 58.200 -0.013 0.000 0.908 147 S CB 0.016 63.213 63.200 -0.006 0.000 0.781 147 S HN 0.649 nan 8.310 nan 0.000 0.519 148 N N 1.812 120.490 118.700 -0.037 0.000 2.844 148 N HA 0.289 5.029 4.740 0.000 0.000 0.268 148 N C -1.499 173.984 175.510 -0.045 0.000 1.574 148 N CA -0.184 52.838 53.050 -0.046 0.000 0.838 148 N CB 1.242 39.687 38.487 -0.070 0.000 1.177 148 N HN 0.196 nan 8.380 nan 0.000 0.495 149 L N 1.257 122.456 121.223 -0.041 0.000 2.307 149 L HA 0.480 4.820 4.340 0.000 0.000 0.282 149 L C -0.224 176.635 176.870 -0.018 0.000 1.051 149 L CA -0.119 54.696 54.840 -0.042 0.000 0.804 149 L CB 0.628 42.648 42.059 -0.064 0.000 1.197 149 L HN 0.136 nan 8.230 nan 0.000 0.431 150 R N 6.238 126.741 120.500 0.006 0.000 2.621 150 R HA 0.685 5.025 4.340 0.000 0.000 0.292 150 R C -1.056 175.270 176.300 0.044 0.000 0.969 150 R CA -0.745 55.372 56.100 0.027 0.000 0.887 150 R CB 2.032 32.359 30.300 0.045 0.000 1.180 150 R HN 0.800 nan 8.270 nan 0.000 0.450 151 I N -1.522 119.078 120.570 0.050 0.000 2.785 151 I HA 0.930 5.101 4.170 0.000 0.000 0.302 151 I C -0.412 175.842 176.117 0.229 0.000 1.069 151 I CA -0.794 60.556 61.300 0.084 0.000 1.045 151 I CB 2.634 40.569 38.000 -0.110 0.000 1.236 151 I HN 0.650 nan 8.210 nan 0.000 0.429 152 G N 2.866 111.874 108.800 0.348 0.000 2.682 152 G HA2 0.697 4.657 3.960 0.000 0.000 0.290 152 G HA3 0.697 4.657 3.960 0.000 0.000 0.290 152 G C -2.379 172.678 174.900 0.262 0.000 1.425 152 G CA -0.642 44.693 45.100 0.391 0.000 0.807 152 G HN 0.675 nan 8.290 nan 0.000 0.482 153 F N -0.434 119.392 119.950 -0.206 0.000 2.591 153 F HA 0.751 5.278 4.527 0.000 0.000 0.309 153 F C 0.075 175.623 175.800 -0.420 0.000 1.098 153 F CA 0.041 57.779 58.000 -0.437 0.000 0.937 153 F CB 2.410 41.105 39.000 -0.507 0.000 1.250 153 F HN 0.927 nan 8.300 nan 0.000 0.447 154 G N 1.930 110.176 108.800 -0.923 0.000 2.692 154 G HA2 0.799 4.759 3.960 0.000 0.000 0.291 154 G HA3 0.799 4.759 3.960 0.000 0.000 0.291 154 G C -2.330 172.323 174.900 -0.410 0.000 1.423 154 G CA -0.407 44.530 45.100 -0.272 0.000 0.843 154 G HN 1.042 nan 8.290 nan 0.000 0.486 155 A N -0.445 122.384 122.820 0.016 0.000 2.515 155 A HA 0.988 5.308 4.320 0.000 0.000 0.296 155 A C -1.213 176.722 177.584 0.585 0.000 1.094 155 A CA -0.755 51.375 52.037 0.154 0.000 0.718 155 A CB 1.555 20.668 19.000 0.188 0.000 1.307 155 A HN 2.032 nan 8.150 nan 0.000 0.408 156 F N -0.832 119.382 119.950 0.439 0.000 2.645 156 F HA 0.775 5.302 4.527 0.000 0.000 0.310 156 F C -0.593 175.250 175.800 0.071 0.000 1.102 156 F CA -0.760 57.470 58.000 0.383 0.000 0.952 156 F CB 0.757 39.965 39.000 0.347 0.000 1.326 156 F HN 0.372 nan 8.300 nan 0.000 0.456 157 V N -0.557 119.406 119.914 0.081 0.000 4.213 157 V HA 0.447 4.567 4.120 0.000 0.000 0.179 157 V C -0.938 175.288 176.094 0.220 0.000 1.148 157 V CA 0.615 62.883 62.300 -0.054 0.000 1.346 157 V CB 0.626 32.206 31.823 -0.404 0.000 1.703 157 V HN 0.894 nan 8.190 nan 0.000 0.525 158 D N -1.269 119.213 120.400 0.137 0.000 2.738 158 D HA 0.256 4.896 4.640 0.000 0.000 0.308 158 D C -1.450 174.937 176.300 0.145 0.000 1.311 158 D CA -0.629 53.473 54.000 0.171 0.000 0.799 158 D CB 1.473 42.338 40.800 0.109 0.000 1.332 158 D HN 0.088 nan 8.370 nan 0.000 0.441 159 K N 1.684 122.136 120.400 0.086 0.000 2.419 159 K HA 0.174 4.494 4.320 0.000 0.000 0.282 159 K C -1.898 174.816 176.600 0.189 0.000 1.056 159 K CA -0.899 55.451 56.287 0.106 0.000 1.035 159 K CB 0.337 32.845 32.500 0.013 0.000 0.921 159 K HN 0.131 nan 8.250 nan 0.000 0.472 160 P HA 0.018 nan 4.420 nan 0.000 0.230 160 P C -0.768 176.601 177.300 0.115 0.000 1.791 160 P CA 0.114 63.299 63.100 0.141 0.000 1.020 160 P CB 0.182 31.964 31.700 0.137 0.000 1.977 161 V N 0.677 120.678 119.914 0.144 0.000 3.012 161 V HA 0.413 4.533 4.120 0.000 0.000 0.307 161 V C -0.394 175.696 176.094 -0.006 0.000 1.166 161 V CA -0.846 61.494 62.300 0.066 0.000 0.974 161 V CB 2.481 34.338 31.823 0.056 0.000 1.040 161 V HN 0.240 nan 8.190 nan 0.000 0.428 162 S N 6.000 121.657 115.700 -0.071 0.000 2.549 162 S HA 0.391 4.861 4.470 0.000 0.000 0.283 162 S C -1.483 172.938 174.600 -0.298 0.000 1.320 162 S CA -0.154 57.957 58.200 -0.147 0.000 1.058 162 S CB 1.176 64.318 63.200 -0.095 0.000 0.882 162 S HN 0.810 nan 8.310 nan 0.000 0.498 163 P HA 0.149 nan 4.420 nan 0.000 0.267 163 P C 0.286 177.413 177.300 -0.288 0.000 1.289 163 P CA 0.093 63.003 63.100 -0.317 0.000 0.866 163 P CB -0.052 31.487 31.700 -0.268 0.000 1.309 164 Y N 0.054 120.320 120.300 -0.057 0.000 2.224 164 Y HA 0.035 4.585 4.550 0.000 0.000 0.289 164 Y C 1.812 177.633 175.900 -0.131 0.000 1.146 164 Y CA 0.547 58.620 58.100 -0.046 0.000 1.182 164 Y CB -0.945 37.538 38.460 0.038 0.000 0.983 164 Y HN -0.005 nan 8.280 nan 0.000 0.524 165 M N -0.184 119.426 119.600 0.016 0.000 2.318 165 M HA 0.316 4.796 4.480 0.000 0.000 0.347 165 M C -1.480 174.767 176.300 -0.088 0.000 1.175 165 M CA -0.776 54.523 55.300 -0.003 0.000 1.075 165 M CB 0.826 33.472 32.600 0.076 0.000 1.614 165 M HN 0.017 nan 8.290 nan 0.000 0.456 166 Y N 4.837 125.174 120.300 0.061 0.000 2.377 166 Y HA 0.217 4.767 4.550 0.000 0.000 0.330 166 Y C 0.885 176.801 175.900 0.027 0.000 1.108 166 Y CA -0.009 58.118 58.100 0.046 0.000 1.308 166 Y CB 0.289 38.788 38.460 0.064 0.000 1.216 166 Y HN 0.651 nan 8.280 nan 0.000 0.518 167 I N -0.830 119.831 120.570 0.153 0.000 3.966 167 I HA 0.427 4.597 4.170 0.000 0.000 0.324 167 I C -0.424 175.718 176.117 0.041 0.000 1.517 167 I CA -0.231 61.112 61.300 0.072 0.000 1.117 167 I CB 0.239 38.258 38.000 0.033 0.000 1.190 167 I HN 0.361 nan 8.210 nan 0.000 0.466 168 S N 0.105 115.837 115.700 0.054 0.000 2.533 168 S HA 0.750 5.220 4.470 0.000 0.000 0.271 168 S C -2.895 171.678 174.600 -0.046 0.000 1.143 168 S CA -0.935 57.264 58.200 -0.002 0.000 0.891 168 S CB 1.595 64.808 63.200 0.022 0.000 1.105 168 S HN -0.021 nan 8.310 nan 0.000 0.468 169 P HA 0.431 nan 4.420 nan 0.000 0.293 169 P C -2.046 175.142 177.300 -0.186 0.000 1.298 169 P CA -1.435 61.564 63.100 -0.168 0.000 0.757 169 P CB -0.628 30.947 31.700 -0.208 0.000 1.262 170 P HA -0.191 nan 4.420 nan 0.000 0.217 170 P C 1.447 178.664 177.300 -0.138 0.000 1.148 170 P CA 1.470 64.508 63.100 -0.104 0.000 0.828 170 P CB -0.070 31.585 31.700 -0.074 0.000 0.783 171 E N -0.334 119.726 120.200 -0.233 0.000 2.204 171 E HA -0.170 4.180 4.350 0.000 0.000 0.195 171 E C 1.831 178.270 176.600 -0.267 0.000 0.990 171 E CA 0.987 57.234 56.400 -0.255 0.000 0.821 171 E CB -0.426 29.067 29.700 -0.346 0.000 0.750 171 E HN 0.105 nan 8.360 nan 0.000 0.477 172 A N 0.630 123.227 122.820 -0.371 0.000 2.067 172 A HA -0.077 4.243 4.320 0.000 0.000 0.219 172 A C 2.063 179.645 177.584 -0.003 0.000 1.158 172 A CA 0.632 52.571 52.037 -0.163 0.000 0.661 172 A CB -0.349 18.581 19.000 -0.118 0.000 0.801 172 A HN 0.284 nan 8.150 nan 0.000 0.452 173 L N -0.788 120.424 121.223 -0.017 0.000 2.072 173 L HA -0.117 4.223 4.340 0.000 0.000 0.205 173 L C 2.514 179.409 176.870 0.042 0.000 1.079 173 L CA 1.148 56.005 54.840 0.029 0.000 0.752 173 L CB -0.391 41.675 42.059 0.012 0.000 0.906 173 L HN 0.349 nan 8.230 nan 0.000 0.436 174 E N -0.313 119.898 120.200 0.018 0.000 2.158 174 E HA -0.071 4.279 4.350 0.000 0.000 0.191 174 E C 0.280 176.915 176.600 0.059 0.000 0.982 174 E CA 0.516 56.937 56.400 0.034 0.000 0.823 174 E CB 0.002 29.711 29.700 0.015 0.000 0.766 174 E HN 0.237 nan 8.360 nan 0.000 0.468 175 N N -0.167 118.569 118.700 0.060 0.000 2.685 175 N HA 0.135 4.875 4.740 0.000 0.000 0.252 175 N C -2.517 173.066 175.510 0.122 0.000 1.261 175 N CA -1.744 51.364 53.050 0.096 0.000 0.768 175 N CB 1.398 39.946 38.487 0.100 0.000 1.304 175 N HN -0.310 nan 8.380 nan 0.000 0.536 176 P HA -0.014 nan 4.420 nan 0.000 0.223 176 P C 0.315 177.636 177.300 0.036 0.000 1.144 176 P CA 0.948 64.112 63.100 0.107 0.000 0.783 176 P CB 0.198 31.983 31.700 0.142 0.000 0.771 177 c N -2.010 116.613 118.600 0.039 0.000 2.614 177 c HA 0.137 4.707 4.570 0.000 0.000 0.299 177 c C 2.210 176.276 174.090 -0.040 0.000 1.293 177 c CA -0.722 55.570 56.329 -0.063 0.000 1.713 177 c CB -2.514 39.977 42.510 -0.032 0.000 1.890 177 c HN 0.382 nan 8.230 nan 0.000 0.602 178 Y N 2.792 123.041 120.300 -0.084 0.000 2.224 178 Y HA -0.202 4.348 4.550 0.000 0.000 0.289 178 Y C 1.876 177.734 175.900 -0.071 0.000 1.146 178 Y CA 2.173 60.238 58.100 -0.059 0.000 1.182 178 Y CB -0.576 37.857 38.460 -0.046 0.000 0.983 178 Y HN 0.389 nan 8.280 nan 0.000 0.524 179 D N 0.674 120.342 120.400 -1.219 0.000 2.234 179 D HA -0.048 4.592 4.640 0.000 0.000 0.205 179 D C 0.568 176.588 176.300 -0.466 0.000 0.962 179 D CA 0.564 53.937 54.000 -1.045 0.000 0.855 179 D CB -0.505 39.697 40.800 -0.996 0.000 0.951 179 D HN 0.446 nan 8.370 nan 0.000 0.500 180 M N 0.065 119.453 119.600 -0.353 0.000 2.163 180 M HA 0.206 4.686 4.480 0.000 0.000 0.305 180 M C 0.699 176.913 176.300 -0.144 0.000 1.166 180 M CA -0.099 55.074 55.300 -0.212 0.000 1.132 180 M CB 0.943 33.416 32.600 -0.211 0.000 1.413 180 M HN -0.323 nan 8.290 nan 0.000 0.478 181 K N 1.269 121.624 120.400 -0.074 0.000 3.129 181 K HA 0.187 4.507 4.320 0.000 0.000 0.241 181 K C -0.555 176.049 176.600 0.006 0.000 1.239 181 K CA -0.118 56.148 56.287 -0.035 0.000 1.239 181 K CB -0.648 31.838 32.500 -0.023 0.000 1.347 181 K HN 0.828 nan 8.250 nan 0.000 0.435 182 T N -2.837 111.724 114.554 0.012 0.000 2.681 182 T HA 0.396 4.747 4.350 0.000 0.000 0.296 182 T C -0.245 174.493 174.700 0.064 0.000 1.157 182 T CA -0.848 61.287 62.100 0.058 0.000 1.025 182 T CB 1.892 70.828 68.868 0.112 0.000 1.441 182 T HN 0.103 nan 8.240 nan 0.000 0.504 183 T N -1.389 113.220 114.554 0.092 0.000 2.900 183 T HA 0.746 5.096 4.350 0.000 0.000 0.295 183 T C -0.027 174.751 174.700 0.130 0.000 1.044 183 T CA -0.660 61.499 62.100 0.098 0.000 0.995 183 T CB 0.696 69.614 68.868 0.084 0.000 1.072 183 T HN 1.524 nan 8.240 nan 0.000 0.473 184 c N 2.051 120.734 118.600 0.137 0.000 3.213 184 c HA 0.820 5.390 4.570 0.000 0.000 0.319 184 c C -0.039 174.146 174.090 0.159 0.000 1.386 184 c CA -1.400 55.030 56.329 0.167 0.000 1.494 184 c CB -0.058 42.584 42.510 0.220 0.000 1.905 184 c HN 1.061 nan 8.230 nan 0.000 0.456 185 L N 2.204 123.543 121.223 0.194 0.000 2.439 185 L HA 0.342 4.682 4.340 0.000 0.000 0.269 185 L C -1.906 175.099 176.870 0.225 0.000 1.179 185 L CA -1.056 53.914 54.840 0.217 0.000 0.828 185 L CB 0.572 42.817 42.059 0.310 0.000 1.106 185 L HN 0.497 nan 8.230 nan 0.000 0.467 186 P HA -0.074 nan 4.420 nan 0.000 0.267 186 P C -0.301 177.160 177.300 0.268 0.000 1.201 186 P CA 0.139 63.354 63.100 0.192 0.000 0.775 186 P CB 0.425 32.216 31.700 0.151 0.000 0.854 187 M N 3.339 123.056 119.600 0.195 0.000 2.245 187 M HA 0.263 4.743 4.480 0.000 0.000 0.344 187 M C -0.558 175.888 176.300 0.244 0.000 1.170 187 M CA 0.490 55.870 55.300 0.133 0.000 1.135 187 M CB -0.270 32.391 32.600 0.101 0.000 1.574 187 M HN 0.251 nan 8.290 nan 0.000 0.452 188 F N 1.881 121.955 119.950 0.206 0.000 2.576 188 F HA 0.733 5.260 4.527 0.000 0.000 0.313 188 F C 0.412 176.382 175.800 0.283 0.000 1.078 188 F CA -0.933 57.225 58.000 0.263 0.000 0.921 188 F CB 0.625 39.816 39.000 0.319 0.000 1.232 188 F HN 0.566 nan 8.300 nan 0.000 0.459 189 G N 0.988 110.063 108.800 0.458 0.000 2.547 189 G HA2 0.051 4.011 3.960 0.000 0.000 0.214 189 G HA3 0.051 4.011 3.960 0.000 0.000 0.214 189 G C -1.131 174.142 174.900 0.623 0.000 1.254 189 G CA 1.046 46.410 45.100 0.440 0.000 0.817 189 G HN 0.777 nan 8.290 nan 0.000 0.551 190 Y N 0.898 121.511 120.300 0.521 0.000 2.441 190 Y HA 0.542 5.092 4.550 0.000 0.000 0.334 190 Y C -1.059 175.013 175.900 0.287 0.000 1.061 190 Y CA -1.697 56.673 58.100 0.449 0.000 1.032 190 Y CB 1.357 40.004 38.460 0.310 0.000 1.266 190 Y HN 0.318 nan 8.280 nan 0.000 0.441 191 K N 4.132 124.212 120.400 -0.534 0.000 2.397 191 K HA 0.415 4.735 4.320 0.000 0.000 0.253 191 K C -1.700 174.402 176.600 -0.830 0.000 0.932 191 K CA -0.974 54.794 56.287 -0.864 0.000 0.795 191 K CB 1.929 33.800 32.500 -1.049 0.000 1.159 191 K HN 0.802 nan 8.250 nan 0.000 0.424 192 H N 2.035 120.670 119.070 -0.726 0.000 2.652 192 H HA 0.231 4.787 4.556 0.000 0.000 0.349 192 H C -0.156 175.096 175.328 -0.127 0.000 1.099 192 H CA -0.024 55.879 56.048 -0.242 0.000 1.417 192 H CB 1.219 30.933 29.762 -0.079 0.000 1.457 192 H HN 0.473 nan 8.280 nan 0.000 0.568 193 V N 3.865 123.460 119.914 -0.533 0.000 3.029 193 V HA 0.155 4.275 4.120 0.000 0.000 0.230 193 V C -0.422 175.402 176.094 -0.449 0.000 1.254 193 V CA 0.074 62.155 62.300 -0.365 0.000 1.276 193 V CB 0.230 32.013 31.823 -0.067 0.000 1.080 193 V HN 0.538 nan 8.190 nan 0.000 0.495 194 L N 0.815 121.794 121.223 -0.407 0.000 2.404 194 L HA 0.602 4.942 4.340 0.000 0.000 0.272 194 L C -0.121 176.803 176.870 0.090 0.000 0.980 194 L CA 0.150 54.900 54.840 -0.150 0.000 0.836 194 L CB 1.540 43.576 42.059 -0.039 0.000 1.238 194 L HN 0.095 nan 8.230 nan 0.000 0.408 195 T N 5.237 119.902 114.554 0.184 0.000 2.940 195 T HA 0.261 4.611 4.350 0.000 0.000 0.309 195 T C 0.496 175.298 174.700 0.170 0.000 1.056 195 T CA -0.075 62.203 62.100 0.296 0.000 1.137 195 T CB 0.110 69.098 68.868 0.200 0.000 0.976 195 T HN 0.473 nan 8.240 nan 0.000 0.547 196 L N 3.096 124.378 121.223 0.099 0.000 2.667 196 L HA 0.148 4.488 4.340 0.000 0.000 0.278 196 L C 0.996 177.901 176.870 0.060 0.000 1.217 196 L CA 0.509 55.387 54.840 0.064 0.000 0.935 196 L CB -0.024 42.000 42.059 -0.059 0.000 1.193 196 L HN 0.650 nan 8.230 nan 0.000 0.493 197 T N 0.120 114.720 114.554 0.076 0.000 2.900 197 T HA 0.249 4.599 4.350 0.000 0.000 0.303 197 T C 0.297 175.021 174.700 0.040 0.000 1.142 197 T CA -0.635 61.497 62.100 0.053 0.000 1.007 197 T CB 1.410 70.311 68.868 0.056 0.000 1.156 197 T HN 0.696 nan 8.240 nan 0.000 0.490 198 D N 1.518 121.931 120.400 0.023 0.000 2.347 198 D HA 0.001 4.641 4.640 0.000 0.000 0.213 198 D C 0.369 176.673 176.300 0.006 0.000 0.985 198 D CA 0.404 54.409 54.000 0.008 0.000 0.879 198 D CB 0.145 40.946 40.800 0.002 0.000 0.919 198 D HN 0.332 nan 8.370 nan 0.000 0.526 199 Q N 1.387 121.197 119.800 0.016 0.000 2.534 199 Q HA 0.119 4.459 4.340 0.000 0.000 0.223 199 Q C 1.538 177.553 176.000 0.026 0.000 1.239 199 Q CA -0.113 55.699 55.803 0.015 0.000 0.936 199 Q CB 1.377 30.124 28.738 0.015 0.000 1.457 199 Q HN 0.317 nan 8.270 nan 0.000 0.547 200 V N 0.299 120.219 119.914 0.011 0.000 2.759 200 V HA -0.185 3.935 4.120 0.000 0.000 0.256 200 V C 1.939 178.059 176.094 0.043 0.000 1.080 200 V CA 1.951 64.257 62.300 0.010 0.000 1.101 200 V CB -1.169 30.625 31.823 -0.048 0.000 0.698 200 V HN 0.631 nan 8.190 nan 0.000 0.477 201 T N -1.236 113.332 114.554 0.023 0.000 2.915 201 T HA -0.214 4.136 4.350 0.000 0.000 0.269 201 T C 1.946 176.661 174.700 0.024 0.000 1.071 201 T CA 1.497 63.609 62.100 0.020 0.000 1.132 201 T CB -0.546 68.323 68.868 0.001 0.000 0.878 201 T HN 0.459 nan 8.240 nan 0.000 0.479 202 R N 0.396 120.914 120.500 0.030 0.000 2.103 202 R HA -0.016 4.324 4.340 0.000 0.000 0.242 202 R C 1.962 178.269 176.300 0.013 0.000 1.142 202 R CA 1.602 57.711 56.100 0.014 0.000 0.960 202 R CB -1.119 29.196 30.300 0.026 0.000 0.858 202 R HN 0.569 nan 8.270 nan 0.000 0.439 203 F N 0.875 120.770 119.950 -0.091 0.000 2.102 203 F HA -0.216 4.311 4.527 0.000 0.000 0.298 203 F C 1.663 177.345 175.800 -0.196 0.000 1.105 203 F CA 1.711 59.630 58.000 -0.134 0.000 1.239 203 F CB -0.222 38.718 39.000 -0.100 0.000 0.991 203 F HN 0.108 nan 8.300 nan 0.000 0.474 204 N N 0.836 119.615 118.700 0.132 0.000 2.069 204 N HA -0.198 4.542 4.740 0.000 0.000 0.191 204 N C 1.700 177.139 175.510 -0.118 0.000 1.031 204 N CA 1.834 54.885 53.050 0.003 0.000 0.852 204 N CB -0.644 37.856 38.487 0.021 0.000 1.018 204 N HN 0.480 nan 8.380 nan 0.000 0.423 205 E N 0.508 120.648 120.200 -0.101 0.000 2.058 205 E HA -0.155 4.195 4.350 0.000 0.000 0.194 205 E C 1.603 178.092 176.600 -0.185 0.000 0.997 205 E CA 0.922 57.253 56.400 -0.116 0.000 0.801 205 E CB 0.037 29.687 29.700 -0.084 0.000 0.746 205 E HN 0.358 nan 8.360 nan 0.000 0.450 206 E N 0.177 120.217 120.200 -0.266 0.000 2.072 206 E HA -0.120 4.231 4.350 0.000 0.000 0.190 206 E C 2.461 178.763 176.600 -0.497 0.000 0.982 206 E CA 1.199 57.391 56.400 -0.347 0.000 0.803 206 E CB -0.244 29.231 29.700 -0.375 0.000 0.755 206 E HN 0.303 nan 8.360 nan 0.000 0.453 207 V N -0.311 119.189 119.914 -0.690 0.000 2.594 207 V HA -0.137 3.983 4.120 0.000 0.000 0.253 207 V C 1.921 177.790 176.094 -0.375 0.000 1.069 207 V CA 1.430 63.282 62.300 -0.746 0.000 1.082 207 V CB -0.557 30.774 31.823 -0.820 0.000 0.680 207 V HN 0.043 nan 8.190 nan 0.000 0.469 208 K N 0.487 120.734 120.400 -0.255 0.000 2.288 208 K HA -0.008 4.312 4.320 0.000 0.000 0.201 208 K C 2.007 178.536 176.600 -0.119 0.000 1.048 208 K CA 1.151 57.353 56.287 -0.142 0.000 0.956 208 K CB -0.114 32.325 32.500 -0.102 0.000 0.746 208 K HN 0.528 nan 8.250 nan 0.000 0.461 209 K N 0.278 120.585 120.400 -0.155 0.000 2.379 209 K HA 0.052 4.372 4.320 0.000 0.000 0.194 209 K C 0.549 177.084 176.600 -0.109 0.000 1.031 209 K CA 0.083 56.301 56.287 -0.114 0.000 1.037 209 K CB 0.411 32.841 32.500 -0.117 0.000 0.824 209 K HN 0.060 nan 8.250 nan 0.000 0.516 210 Q N 1.127 120.836 119.800 -0.153 0.000 2.454 210 Q HA 0.089 4.429 4.340 0.000 0.000 0.247 210 Q C 0.224 176.204 176.000 -0.033 0.000 1.028 210 Q CA 0.365 56.105 55.803 -0.105 0.000 0.910 210 Q CB 1.463 30.117 28.738 -0.139 0.000 1.276 210 Q HN 0.187 nan 8.270 nan 0.000 0.489 211 S N -1.883 113.830 115.700 0.022 0.000 2.596 211 S HA 0.597 5.067 4.470 0.000 0.000 0.270 211 S C -0.309 174.369 174.600 0.130 0.000 1.155 211 S CA -0.831 57.405 58.200 0.059 0.000 0.827 211 S CB 0.699 63.943 63.200 0.072 0.000 1.130 211 S HN 0.456 nan 8.310 nan 0.000 0.467 212 V N -0.380 119.593 119.914 0.099 0.000 2.953 212 V HA 0.819 4.939 4.120 0.000 0.000 0.304 212 V C 0.560 176.784 176.094 0.215 0.000 1.073 212 V CA -0.065 62.311 62.300 0.126 0.000 1.064 212 V CB 1.012 32.837 31.823 0.004 0.000 1.047 212 V HN 1.092 nan 8.190 nan 0.000 0.478 213 S N 1.335 117.145 115.700 0.183 0.000 2.694 213 S HA 0.736 5.206 4.470 0.000 0.000 0.286 213 S C -0.307 174.391 174.600 0.162 0.000 1.080 213 S CA -0.943 57.355 58.200 0.164 0.000 0.953 213 S CB 1.331 64.569 63.200 0.063 0.000 1.313 213 S HN 1.084 nan 8.310 nan 0.000 0.555 214 R N 0.617 121.198 120.500 0.135 0.000 2.561 214 R HA 0.377 4.717 4.340 0.000 0.000 0.266 214 R C -1.732 174.699 176.300 0.218 0.000 1.091 214 R CA -0.334 55.867 56.100 0.169 0.000 0.927 214 R CB 0.945 31.314 30.300 0.115 0.000 1.240 214 R HN 0.986 nan 8.270 nan 0.000 0.449 215 N N 0.633 119.463 118.700 0.215 0.000 2.902 215 N HA 0.349 5.089 4.740 0.000 0.000 0.268 215 N C -0.073 175.498 175.510 0.102 0.000 1.450 215 N CA -1.026 52.120 53.050 0.159 0.000 0.819 215 N CB 1.743 40.290 38.487 0.099 0.000 1.540 215 N HN 0.462 nan 8.380 nan 0.000 0.545 216 R N -0.859 119.555 120.500 -0.144 0.000 2.075 216 R HA 0.030 4.370 4.340 0.000 0.000 0.220 216 R C -0.547 175.757 176.300 0.007 0.000 1.118 216 R CA 1.001 56.978 56.100 -0.205 0.000 0.986 216 R CB -0.211 29.814 30.300 -0.458 0.000 0.884 216 R HN 0.838 nan 8.270 nan 0.000 0.439 217 D N -1.091 119.351 120.400 0.070 0.000 2.217 217 D HA 0.183 4.823 4.640 0.000 0.000 0.248 217 D C 0.370 176.704 176.300 0.057 0.000 1.008 217 D CA -0.123 53.934 54.000 0.096 0.000 0.914 217 D CB 1.691 42.610 40.800 0.198 0.000 1.182 217 D HN 0.079 nan 8.370 nan 0.000 0.451 218 A N 1.819 124.644 122.820 0.009 0.000 1.858 218 A HA 0.073 4.393 4.320 0.000 0.000 0.216 218 A C -1.429 176.097 177.584 -0.097 0.000 1.190 218 A CA 0.788 52.810 52.037 -0.025 0.000 0.617 218 A CB -1.784 17.199 19.000 -0.028 0.000 0.827 218 A HN 0.603 nan 8.150 nan 0.000 0.443 219 P HA 0.231 nan 4.420 nan 0.000 0.268 219 P C -0.232 176.798 177.300 -0.450 0.000 1.204 219 P CA 0.310 63.119 63.100 -0.485 0.000 0.768 219 P CB 0.608 31.749 31.700 -0.931 0.000 0.842 220 E N 1.150 121.217 120.200 -0.223 0.000 2.281 220 E HA 0.417 4.767 4.350 0.000 0.000 0.257 220 E C 1.010 177.650 176.600 0.067 0.000 0.971 220 E CA -0.866 55.562 56.400 0.048 0.000 0.839 220 E CB 0.929 30.768 29.700 0.232 0.000 1.238 220 E HN 0.453 nan 8.360 nan 0.000 0.412 221 G N -0.225 108.711 108.800 0.227 0.000 3.518 221 G HA2 0.144 4.104 3.960 0.000 0.000 0.273 221 G HA3 0.144 4.104 3.960 0.000 0.000 0.273 221 G C 0.985 175.900 174.900 0.025 0.000 1.199 221 G CA 0.284 45.536 45.100 0.254 0.000 0.899 221 G HN 0.466 nan 8.290 nan 0.000 0.533 222 G N 0.673 109.307 108.800 -0.276 0.000 2.448 222 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 222 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 222 G C 1.346 176.182 174.900 -0.107 0.000 1.127 222 G CA 0.412 45.038 45.100 -0.790 0.000 0.766 222 G HN 0.336 nan 8.290 nan 0.000 0.552 223 F N 1.497 121.313 119.950 -0.224 0.000 2.293 223 F HA 0.055 4.582 4.527 0.000 0.000 0.300 223 F C 2.206 177.909 175.800 -0.163 0.000 1.086 223 F CA 0.242 58.114 58.000 -0.214 0.000 1.375 223 F CB -0.458 38.445 39.000 -0.162 0.000 1.045 223 F HN 0.097 nan 8.300 nan 0.000 0.516 224 D N 0.016 120.484 120.400 0.114 0.000 2.123 224 D HA -0.142 4.498 4.640 0.000 0.000 0.196 224 D C 2.367 178.466 176.300 -0.335 0.000 0.992 224 D CA 1.472 55.438 54.000 -0.058 0.000 0.833 224 D CB -0.370 40.490 40.800 0.101 0.000 0.954 224 D HN 0.198 nan 8.370 nan 0.000 0.455 225 A N 0.314 122.941 122.820 -0.322 0.000 1.897 225 A HA -0.074 4.246 4.320 0.000 0.000 0.215 225 A C 2.373 179.644 177.584 -0.523 0.000 1.181 225 A CA 0.681 52.347 52.037 -0.618 0.000 0.620 225 A CB -0.628 18.189 19.000 -0.306 0.000 0.821 225 A HN 0.184 nan 8.150 nan 0.000 0.443 226 I N -1.164 119.226 120.570 -0.300 0.000 2.208 226 I HA -0.304 3.866 4.170 0.000 0.000 0.245 226 I C 2.647 178.602 176.117 -0.271 0.000 1.097 226 I CA 1.939 63.084 61.300 -0.258 0.000 1.363 226 I CB -0.260 37.514 38.000 -0.377 0.000 1.051 226 I HN 0.404 nan 8.210 nan 0.000 0.413 227 M N 0.382 119.811 119.600 -0.285 0.000 2.080 227 M HA -0.241 4.239 4.480 0.000 0.000 0.260 227 M C 2.227 178.381 176.300 -0.244 0.000 1.068 227 M CA 1.898 57.055 55.300 -0.237 0.000 1.109 227 M CB -0.414 32.071 32.600 -0.192 0.000 1.342 227 M HN 0.104 nan 8.290 nan 0.000 0.405 228 Q N -0.500 119.080 119.800 -0.366 0.000 2.123 228 Q HA 0.085 4.425 4.340 0.000 0.000 0.199 228 Q C 2.223 178.102 176.000 -0.201 0.000 0.966 228 Q CA 1.677 57.300 55.803 -0.300 0.000 0.845 228 Q CB -0.824 27.681 28.738 -0.388 0.000 0.907 228 Q HN 0.673 nan 8.270 nan 0.000 0.439 229 A N 0.355 123.014 122.820 -0.269 0.000 2.015 229 A HA -0.111 4.209 4.320 0.000 0.000 0.219 229 A C 2.227 179.860 177.584 0.082 0.000 1.163 229 A CA 1.714 53.681 52.037 -0.116 0.000 0.646 229 A CB -0.474 18.527 19.000 0.001 0.000 0.806 229 A HN 0.330 nan 8.150 nan 0.000 0.448 230 T N -1.119 113.430 114.554 -0.008 0.000 2.809 230 T HA -0.028 4.322 4.350 0.000 0.000 0.260 230 T C 1.718 176.393 174.700 -0.041 0.000 1.039 230 T CA 1.580 63.653 62.100 -0.045 0.000 1.141 230 T CB -0.106 68.671 68.868 -0.152 0.000 0.869 230 T HN 0.127 nan 8.240 nan 0.000 0.437 231 V N 0.516 120.392 119.914 -0.062 0.000 3.174 231 V HA 0.067 4.187 4.120 0.000 0.000 0.254 231 V C 1.126 177.194 176.094 -0.043 0.000 1.120 231 V CA 0.390 62.653 62.300 -0.063 0.000 1.114 231 V CB -0.116 31.659 31.823 -0.080 0.000 0.756 231 V HN 0.446 nan 8.190 nan 0.000 0.467 232 c N 1.980 120.555 118.600 -0.041 0.000 2.756 232 c HA 0.142 4.712 4.570 0.000 0.000 0.504 232 c C 1.608 175.661 174.090 -0.061 0.000 1.028 232 c CA -0.931 55.364 56.329 -0.056 0.000 1.167 232 c CB -2.094 40.379 42.510 -0.062 0.000 1.444 232 c HN 0.579 nan 8.230 nan 0.000 0.577 233 D N 1.229 121.623 120.400 -0.010 0.000 2.177 233 D HA -0.190 4.450 4.640 0.000 0.000 0.189 233 D C 1.979 178.254 176.300 -0.040 0.000 1.002 233 D CA 1.711 55.730 54.000 0.031 0.000 0.845 233 D CB 0.053 40.864 40.800 0.018 0.000 0.960 233 D HN 0.644 nan 8.370 nan 0.000 0.447 234 E N 0.191 120.359 120.200 -0.053 0.000 2.077 234 E HA -0.160 4.190 4.350 0.000 0.000 0.193 234 E C 2.067 178.598 176.600 -0.115 0.000 0.989 234 E CA 0.718 57.081 56.400 -0.061 0.000 0.800 234 E CB 0.045 29.723 29.700 -0.036 0.000 0.746 234 E HN 0.255 nan 8.360 nan 0.000 0.452 235 K N 0.442 120.740 120.400 -0.171 0.000 2.002 235 K HA -0.129 4.191 4.320 0.000 0.000 0.209 235 K C 2.141 178.445 176.600 -0.493 0.000 1.048 235 K CA 0.910 57.022 56.287 -0.291 0.000 0.930 235 K CB -0.100 32.192 32.500 -0.347 0.000 0.714 235 K HN 0.092 nan 8.250 nan 0.000 0.438 236 I N -0.042 120.169 120.570 -0.597 0.000 2.315 236 I HA -0.104 4.066 4.170 0.000 0.000 0.248 236 I C 1.575 177.342 176.117 -0.583 0.000 1.117 236 I CA 1.480 62.305 61.300 -0.792 0.000 1.404 236 I CB -1.442 35.869 38.000 -1.149 0.000 1.071 236 I HN 0.509 nan 8.210 nan 0.000 0.419 237 G N -0.117 108.440 108.800 -0.405 0.000 2.142 237 G HA2 -0.254 3.706 3.960 0.000 0.000 0.225 237 G HA3 -0.254 3.706 3.960 0.000 0.000 0.225 237 G C -0.163 174.642 174.900 -0.159 0.000 1.015 237 G CA -0.279 44.697 45.100 -0.207 0.000 0.716 237 G HN 0.329 nan 8.290 nan 0.000 0.508 238 W N 0.581 121.803 121.300 -0.129 0.000 2.343 238 W HA 0.407 5.067 4.660 0.000 0.000 0.337 238 W C 1.331 177.810 176.519 -0.065 0.000 1.320 238 W CA -0.452 56.783 57.345 -0.182 0.000 1.290 238 W CB 0.385 29.569 29.460 -0.460 0.000 1.206 238 W HN 0.174 nan 8.180 nan 0.000 0.565 239 R N 2.479 123.176 120.500 0.328 0.000 2.500 239 R HA 0.102 4.442 4.340 0.000 0.000 0.275 239 R C 1.245 177.736 176.300 0.318 0.000 1.051 239 R CA -0.853 55.396 56.100 0.248 0.000 1.088 239 R CB 0.668 31.073 30.300 0.175 0.000 1.063 239 R HN 0.519 nan 8.270 nan 0.000 0.511 240 N N 1.213 120.019 118.700 0.176 0.000 2.069 240 N HA -0.129 4.611 4.740 0.000 0.000 0.191 240 N C -0.332 175.258 175.510 0.133 0.000 1.031 240 N CA 1.458 54.599 53.050 0.152 0.000 0.852 240 N CB 0.106 38.645 38.487 0.087 0.000 1.018 240 N HN 0.519 nan 8.380 nan 0.000 0.423 241 D N 0.668 121.106 120.400 0.063 0.000 2.622 241 D HA 0.494 5.134 4.640 0.000 0.000 0.262 241 D C -0.637 175.538 176.300 -0.209 0.000 1.189 241 D CA 0.053 54.045 54.000 -0.013 0.000 0.985 241 D CB 0.698 41.472 40.800 -0.043 0.000 0.994 241 D HN 0.129 nan 8.370 nan 0.000 0.513 242 A N 0.332 123.077 122.820 -0.125 0.000 2.605 242 A HA 0.508 4.828 4.320 0.000 0.000 0.294 242 A C -0.316 177.140 177.584 -0.214 0.000 1.062 242 A CA -0.685 51.242 52.037 -0.183 0.000 0.682 242 A CB 1.297 20.282 19.000 -0.025 0.000 1.278 242 A HN 0.081 nan 8.150 nan 0.000 0.410 243 S N 0.763 116.478 115.700 0.025 0.000 2.549 243 S HA 0.356 4.826 4.470 0.000 0.000 0.279 243 S C -0.475 174.108 174.600 -0.028 0.000 1.321 243 S CA 0.244 58.431 58.200 -0.022 0.000 1.054 243 S CB -0.158 63.190 63.200 0.246 0.000 0.899 243 S HN 0.602 nan 8.310 nan 0.000 0.497 244 H N 1.829 120.949 119.070 0.083 0.000 2.595 244 H HA 0.414 4.970 4.556 0.000 0.000 0.313 244 H C -0.690 174.658 175.328 0.033 0.000 1.023 244 H CA -0.645 55.419 56.048 0.027 0.000 1.218 244 H CB 0.630 30.118 29.762 -0.456 0.000 1.403 244 H HN 0.307 nan 8.280 nan 0.000 0.477 245 L N 4.400 125.845 121.223 0.370 0.000 2.287 245 L HA 0.274 4.614 4.340 0.000 0.000 0.287 245 L C -0.774 176.346 176.870 0.416 0.000 1.022 245 L CA -0.962 54.048 54.840 0.284 0.000 0.814 245 L CB 1.567 43.776 42.059 0.250 0.000 1.217 245 L HN 0.383 nan 8.230 nan 0.000 0.420 246 L N 5.452 126.843 121.223 0.281 0.000 2.283 246 L HA 0.386 4.726 4.340 0.000 0.000 0.281 246 L C -0.404 176.583 176.870 0.196 0.000 1.033 246 L CA -0.208 54.839 54.840 0.345 0.000 0.848 246 L CB 1.393 43.600 42.059 0.246 0.000 1.226 246 L HN 0.262 nan 8.230 nan 0.000 0.429 247 V N 6.031 126.053 119.914 0.181 0.000 2.368 247 V HA 0.235 4.355 4.120 0.000 0.000 0.266 247 V C -0.272 175.817 176.094 -0.008 0.000 1.045 247 V CA -0.292 62.036 62.300 0.047 0.000 0.899 247 V CB 0.520 32.325 31.823 -0.028 0.000 1.006 247 V HN 0.607 nan 8.190 nan 0.000 0.470 248 F N 5.648 125.555 119.950 -0.072 0.000 2.332 248 F HA 0.571 5.098 4.527 0.000 0.000 0.368 248 F C 0.581 176.381 175.800 0.001 0.000 1.110 248 F CA -0.443 57.570 58.000 0.020 0.000 1.087 248 F CB 1.157 40.231 39.000 0.124 0.000 1.235 248 F HN 0.545 nan 8.300 nan 0.000 0.470 249 T N 2.423 116.713 114.554 -0.440 0.000 2.779 249 T HA 0.662 5.012 4.350 0.000 0.000 0.280 249 T C -0.335 174.097 174.700 -0.447 0.000 0.987 249 T CA -0.529 61.349 62.100 -0.370 0.000 0.966 249 T CB 1.554 70.252 68.868 -0.283 0.000 0.933 249 T HN 0.705 nan 8.240 nan 0.000 0.442 250 T N 1.223 115.572 114.554 -0.341 0.000 2.802 250 T HA 0.460 4.810 4.350 0.000 0.000 0.311 250 T C -1.200 173.424 174.700 -0.127 0.000 1.405 250 T CA -0.553 61.404 62.100 -0.239 0.000 1.016 250 T CB 1.708 70.462 68.868 -0.190 0.000 1.352 250 T HN 0.745 nan 8.240 nan 0.000 0.498 251 D N 0.721 121.083 120.400 -0.063 0.000 2.501 251 D HA 0.557 5.197 4.640 0.000 0.000 0.224 251 D C 0.076 176.395 176.300 0.032 0.000 1.202 251 D CA -0.240 53.749 54.000 -0.018 0.000 0.829 251 D CB 0.402 41.184 40.800 -0.031 0.000 1.023 251 D HN 0.659 nan 8.370 nan 0.000 0.499 252 A N -0.071 122.795 122.820 0.076 0.000 2.566 252 A HA 0.539 4.859 4.320 0.000 0.000 0.292 252 A C -0.236 177.451 177.584 0.173 0.000 1.112 252 A CA -0.947 51.145 52.037 0.091 0.000 0.707 252 A CB 1.483 20.510 19.000 0.046 0.000 1.302 252 A HN -0.033 nan 8.150 nan 0.000 0.409 253 K N -0.096 120.338 120.400 0.057 0.000 2.393 253 K HA 0.252 4.572 4.320 0.000 0.000 0.264 253 K C 0.020 176.570 176.600 -0.082 0.000 0.979 253 K CA 0.769 57.031 56.287 -0.043 0.000 0.893 253 K CB 0.212 32.631 32.500 -0.135 0.000 0.967 253 K HN 0.641 nan 8.250 nan 0.000 0.521 254 T N 0.380 114.784 114.554 -0.251 0.000 2.893 254 T HA 0.186 4.536 4.350 0.000 0.000 0.291 254 T C -0.955 173.362 174.700 -0.637 0.000 1.028 254 T CA -0.811 61.019 62.100 -0.449 0.000 0.995 254 T CB 0.665 69.093 68.868 -0.734 0.000 1.051 254 T HN 0.369 nan 8.240 nan 0.000 0.470 255 H N 3.046 121.716 119.070 -0.666 0.000 2.629 255 H HA 0.504 5.060 4.556 0.000 0.000 0.357 255 H C 0.436 175.249 175.328 -0.858 0.000 1.121 255 H CA 0.055 55.584 56.048 -0.864 0.000 1.406 255 H CB 0.720 29.526 29.762 -1.594 0.000 1.456 255 H HN 0.630 nan 8.280 nan 0.000 0.579 256 I N -1.194 119.138 120.570 -0.395 0.000 3.108 256 I HA 0.666 4.836 4.170 0.000 0.000 0.312 256 I C -0.024 176.117 176.117 0.040 0.000 1.095 256 I CA -1.579 59.621 61.300 -0.166 0.000 1.000 256 I CB 1.651 39.574 38.000 -0.129 0.000 1.229 256 I HN 0.463 nan 8.210 nan 0.000 0.454 257 A N 2.923 125.818 122.820 0.125 0.000 2.540 257 A HA 0.434 4.754 4.320 0.000 0.000 0.239 257 A C 0.756 178.414 177.584 0.123 0.000 1.061 257 A CA 0.370 52.502 52.037 0.158 0.000 0.758 257 A CB -0.332 18.736 19.000 0.113 0.000 0.991 257 A HN 1.109 nan 8.150 nan 0.000 0.502 258 L N -0.098 121.209 121.223 0.140 0.000 3.558 258 L HA -0.255 4.085 4.340 0.000 0.000 0.422 258 L C 0.984 177.931 176.870 0.129 0.000 0.740 258 L CA 0.982 55.887 54.840 0.108 0.000 2.578 258 L CB -1.493 40.610 42.059 0.073 0.000 1.116 258 L HN 0.710 nan 8.230 nan 0.000 0.626 259 D N 0.728 121.233 120.400 0.174 0.000 2.178 259 D HA -0.064 4.576 4.640 0.000 0.000 0.201 259 D C 1.970 178.426 176.300 0.259 0.000 0.980 259 D CA 1.560 55.679 54.000 0.199 0.000 0.842 259 D CB -0.220 40.672 40.800 0.153 0.000 0.948 259 D HN 0.571 nan 8.370 nan 0.000 0.472 260 G N 0.293 109.271 108.800 0.296 0.000 2.501 260 G HA2 -0.303 3.657 3.960 0.000 0.000 0.220 260 G HA3 -0.303 3.657 3.960 0.000 0.000 0.220 260 G C 1.587 176.555 174.900 0.114 0.000 1.114 260 G CA 0.289 45.504 45.100 0.191 0.000 0.757 260 G HN 0.233 nan 8.290 nan 0.000 0.559 261 R N -0.620 119.935 120.500 0.093 0.000 2.189 261 R HA 0.069 4.409 4.340 0.000 0.000 0.223 261 R C 1.970 178.285 176.300 0.024 0.000 1.092 261 R CA 0.428 56.555 56.100 0.046 0.000 0.989 261 R CB -0.200 30.125 30.300 0.042 0.000 0.876 261 R HN 0.333 nan 8.270 nan 0.000 0.457 262 L N -0.252 120.996 121.223 0.042 0.000 2.362 262 L HA -0.030 4.310 4.340 0.000 0.000 0.219 262 L C 1.617 178.406 176.870 -0.136 0.000 1.134 262 L CA 1.366 56.188 54.840 -0.030 0.000 0.807 262 L CB 0.024 42.080 42.059 -0.006 0.000 0.927 262 L HN 0.163 nan 8.230 nan 0.000 0.447 263 A N -1.479 121.278 122.820 -0.105 0.000 2.535 263 A HA 0.542 4.862 4.320 0.000 0.000 0.273 263 A C 1.576 179.123 177.584 -0.062 0.000 1.267 263 A CA 0.363 52.315 52.037 -0.142 0.000 0.940 263 A CB -0.411 18.529 19.000 -0.099 0.000 1.101 263 A HN 0.375 nan 8.150 nan 0.000 0.521 264 G N -0.212 108.563 108.800 -0.041 0.000 2.168 264 G HA2 -0.249 3.711 3.960 0.000 0.000 0.263 264 G HA3 -0.249 3.711 3.960 0.000 0.000 0.263 264 G C 0.102 174.989 174.900 -0.022 0.000 0.977 264 G CA 0.544 45.627 45.100 -0.029 0.000 0.659 264 G HN 0.553 nan 8.290 nan 0.000 0.533 265 I N 1.187 121.748 120.570 -0.015 0.000 2.312 265 I HA 0.375 4.545 4.170 0.000 0.000 0.291 265 I C 1.490 177.602 176.117 -0.009 0.000 1.031 265 I CA -0.290 60.995 61.300 -0.024 0.000 1.293 265 I CB 1.462 39.434 38.000 -0.047 0.000 1.403 265 I HN 0.101 nan 8.210 nan 0.000 0.484 266 V N 1.529 121.437 119.914 -0.011 0.000 3.548 266 V HA 0.167 4.287 4.120 0.000 0.000 0.279 266 V C 0.742 176.836 176.094 0.000 0.000 1.446 266 V CA -0.215 62.086 62.300 0.001 0.000 1.023 266 V CB -0.201 31.624 31.823 0.002 0.000 0.820 266 V HN 0.783 nan 8.190 nan 0.000 0.438 267 Q N 2.588 122.381 119.800 -0.012 0.000 2.255 267 Q HA 0.226 4.567 4.340 0.000 0.000 0.280 267 Q C -2.341 173.660 176.000 0.002 0.000 1.068 267 Q CA -1.524 54.274 55.803 -0.009 0.000 0.911 267 Q CB 0.941 29.665 28.738 -0.025 0.000 1.157 267 Q HN 0.338 nan 8.270 nan 0.000 0.380 268 P HA -0.080 nan 4.420 nan 0.000 0.269 268 P C -0.596 176.726 177.300 0.036 0.000 1.209 268 P CA -0.086 63.031 63.100 0.028 0.000 0.776 268 P CB 0.438 32.154 31.700 0.027 0.000 0.876 269 N N 2.502 121.233 118.700 0.051 0.000 2.454 269 N HA -0.072 4.668 4.740 0.000 0.000 0.260 269 N C 0.445 175.999 175.510 0.073 0.000 1.218 269 N CA 0.253 53.347 53.050 0.074 0.000 0.904 269 N CB 0.472 39.008 38.487 0.081 0.000 1.065 269 N HN 0.380 nan 8.380 nan 0.000 0.462 270 D N 2.026 122.490 120.400 0.107 0.000 2.339 270 D HA 0.107 4.747 4.640 0.000 0.000 0.217 270 D C 1.130 177.477 176.300 0.078 0.000 1.050 270 D CA 0.417 54.476 54.000 0.099 0.000 0.856 270 D CB -0.366 40.517 40.800 0.139 0.000 0.922 270 D HN 0.701 nan 8.370 nan 0.000 0.518 271 G N -0.052 108.792 108.800 0.074 0.000 2.168 271 G HA2 -0.291 3.669 3.960 0.000 0.000 0.257 271 G HA3 -0.291 3.669 3.960 0.000 0.000 0.257 271 G C 0.060 174.960 174.900 -0.001 0.000 0.997 271 G CA 0.313 45.426 45.100 0.022 0.000 0.708 271 G HN 0.392 nan 8.290 nan 0.000 0.520 272 Q N -1.030 118.779 119.800 0.015 0.000 2.204 272 Q HA 0.521 4.861 4.340 0.000 0.000 0.254 272 Q C 0.580 176.449 176.000 -0.218 0.000 0.981 272 Q CA -0.725 55.012 55.803 -0.111 0.000 0.897 272 Q CB 1.592 30.238 28.738 -0.153 0.000 1.273 272 Q HN 0.411 nan 8.270 nan 0.000 0.464 273 c N 2.312 120.760 118.600 -0.255 0.000 2.632 273 c HA 0.191 4.761 4.570 0.000 0.000 0.415 273 c C 0.319 174.192 174.090 -0.361 0.000 1.332 273 c CA 0.093 56.310 56.329 -0.186 0.000 1.874 273 c CB -0.850 41.601 42.510 -0.098 0.000 2.596 273 c HN 0.656 nan 8.230 nan 0.000 0.590 274 H N 3.771 122.976 119.070 0.225 0.000 2.750 274 H HA 0.247 4.803 4.556 0.000 0.000 0.239 274 H C -0.665 174.839 175.328 0.294 0.000 1.210 274 H CA -0.022 56.175 56.048 0.250 0.000 0.936 274 H CB 0.388 30.319 29.762 0.282 0.000 2.074 274 H HN 0.437 nan 8.280 nan 0.000 0.622 275 V N 1.292 121.385 119.914 0.298 0.000 2.334 275 V HA 0.503 4.623 4.120 0.000 0.000 0.281 275 V C 0.882 177.065 176.094 0.149 0.000 1.016 275 V CA -0.477 61.974 62.300 0.252 0.000 0.832 275 V CB 1.355 33.320 31.823 0.236 0.000 0.999 275 V HN 0.497 nan 8.190 nan 0.000 0.439 276 G N 2.791 111.677 108.800 0.143 0.000 2.736 276 G HA2 0.388 4.348 3.960 0.000 0.000 0.229 276 G HA3 0.388 4.348 3.960 0.000 0.000 0.229 276 G C 1.261 176.215 174.900 0.090 0.000 1.380 276 G CA 0.383 45.542 45.100 0.098 0.000 1.040 276 G HN 0.715 nan 8.290 nan 0.000 0.568 277 S N 0.307 116.050 115.700 0.071 0.000 2.392 277 S HA -0.243 4.227 4.470 0.000 0.000 0.232 277 S C 1.611 176.257 174.600 0.075 0.000 1.041 277 S CA 2.271 60.509 58.200 0.062 0.000 1.026 277 S CB -0.443 62.785 63.200 0.046 0.000 0.845 277 S HN 0.695 nan 8.310 nan 0.000 0.465 278 D N 1.027 121.482 120.400 0.091 0.000 2.349 278 D HA -0.025 4.615 4.640 0.000 0.000 0.224 278 D C 0.275 176.690 176.300 0.193 0.000 1.029 278 D CA 0.368 54.439 54.000 0.118 0.000 0.879 278 D CB -0.832 40.023 40.800 0.092 0.000 0.906 278 D HN 0.326 nan 8.370 nan 0.000 0.528 279 N N 0.061 118.852 118.700 0.151 0.000 2.828 279 N HA -0.172 4.568 4.740 0.000 0.000 0.248 279 N C -0.776 174.737 175.510 0.005 0.000 1.044 279 N CA 0.704 53.813 53.050 0.099 0.000 0.851 279 N CB -1.745 36.773 38.487 0.051 0.000 1.136 279 N HN 0.605 nan 8.380 nan 0.000 0.572 280 H N -0.680 118.421 119.070 0.051 0.000 2.533 280 H HA 0.179 4.735 4.556 0.000 0.000 0.343 280 H C -0.329 175.133 175.328 0.222 0.000 1.160 280 H CA -0.553 55.550 56.048 0.092 0.000 1.218 280 H CB 1.041 30.861 29.762 0.097 0.000 1.566 280 H HN 0.019 nan 8.280 nan 0.000 0.522 281 Y N 2.595 123.059 120.300 0.274 0.000 2.531 281 Y HA -0.060 4.490 4.550 0.000 0.000 0.347 281 Y C 1.299 177.334 175.900 0.226 0.000 1.024 281 Y CA -0.704 57.576 58.100 0.299 0.000 1.306 281 Y CB 0.452 39.149 38.460 0.395 0.000 1.149 281 Y HN 0.572 nan 8.280 nan 0.000 0.527 282 S N 3.562 119.281 115.700 0.032 0.000 2.461 282 S HA -0.005 4.465 4.470 0.000 0.000 0.228 282 S C 1.619 176.016 174.600 -0.339 0.000 1.005 282 S CA 0.438 58.583 58.200 -0.092 0.000 0.942 282 S CB -0.221 62.987 63.200 0.013 0.000 0.776 282 S HN 0.711 nan 8.310 nan 0.000 0.514 283 A N 1.064 123.449 122.820 -0.725 0.000 2.337 283 A HA 0.445 4.765 4.320 0.000 0.000 0.227 283 A C 1.964 179.073 177.584 -0.792 0.000 1.259 283 A CA 0.554 52.147 52.037 -0.740 0.000 0.870 283 A CB -0.781 17.770 19.000 -0.748 0.000 0.927 283 A HN 0.483 nan 8.150 nan 0.000 0.497 284 S N 0.489 115.684 115.700 -0.842 0.000 2.370 284 S HA -0.173 4.297 4.470 0.000 0.000 0.226 284 S C 2.089 176.580 174.600 -0.181 0.000 1.033 284 S CA 2.490 60.479 58.200 -0.351 0.000 1.011 284 S CB -0.337 62.849 63.200 -0.024 0.000 0.852 284 S HN 0.816 nan 8.310 nan 0.000 0.457 285 T N -1.816 112.644 114.554 -0.157 0.000 3.107 285 T HA 0.125 4.475 4.350 0.000 0.000 0.249 285 T C 1.341 175.975 174.700 -0.111 0.000 1.096 285 T CA 1.010 63.054 62.100 -0.093 0.000 1.012 285 T CB -0.003 68.835 68.868 -0.051 0.000 0.977 285 T HN 0.510 nan 8.240 nan 0.000 0.527 286 T N -1.723 112.735 114.554 -0.160 0.000 2.975 286 T HA 0.475 4.825 4.350 0.000 0.000 0.257 286 T C 0.123 174.745 174.700 -0.130 0.000 1.003 286 T CA -0.585 61.434 62.100 -0.136 0.000 0.932 286 T CB 0.005 68.784 68.868 -0.149 0.000 1.087 286 T HN 0.398 nan 8.240 nan 0.000 0.512 287 M N 1.949 121.459 119.600 -0.150 0.000 2.393 287 M HA 0.508 4.988 4.480 0.000 0.000 0.299 287 M C -1.726 174.511 176.300 -0.105 0.000 1.103 287 M CA -0.719 54.521 55.300 -0.101 0.000 0.910 287 M CB 2.240 34.788 32.600 -0.087 0.000 1.659 287 M HN -0.107 nan 8.290 nan 0.000 0.445 288 D N 2.031 122.391 120.400 -0.066 0.000 2.360 288 D HA 0.151 4.791 4.640 0.000 0.000 0.242 288 D C -1.041 175.229 176.300 -0.051 0.000 1.184 288 D CA 0.459 54.409 54.000 -0.085 0.000 0.930 288 D CB 0.553 41.363 40.800 0.016 0.000 1.161 288 D HN 0.404 nan 8.370 nan 0.000 0.447 289 Y N 0.994 121.325 120.300 0.052 0.000 2.652 289 Y HA 0.138 4.688 4.550 0.000 0.000 0.344 289 Y C -1.302 174.637 175.900 0.066 0.000 1.254 289 Y CA -0.966 57.172 58.100 0.064 0.000 1.480 289 Y CB -0.291 38.193 38.460 0.040 0.000 1.345 289 Y HN 0.249 nan 8.280 nan 0.000 0.617 290 P HA 0.114 nan 4.420 nan 0.000 0.281 290 P C -0.795 176.574 177.300 0.114 0.000 1.249 290 P CA -0.600 62.569 63.100 0.115 0.000 0.810 290 P CB 1.320 33.041 31.700 0.036 0.000 1.008 291 S N 1.642 117.376 115.700 0.057 0.000 2.632 291 S HA 0.213 4.683 4.470 0.000 0.000 0.267 291 S C 1.613 176.201 174.600 -0.021 0.000 1.276 291 S CA -0.691 57.531 58.200 0.038 0.000 0.998 291 S CB 0.028 63.244 63.200 0.027 0.000 0.953 291 S HN 0.349 nan 8.310 nan 0.000 0.547 292 L N 1.295 122.502 121.223 -0.026 0.000 2.046 292 L HA 0.003 4.343 4.340 0.000 0.000 0.208 292 L C 2.880 179.705 176.870 -0.077 0.000 1.077 292 L CA 1.504 56.295 54.840 -0.081 0.000 0.747 292 L CB -1.419 40.623 42.059 -0.029 0.000 0.896 292 L HN 0.981 nan 8.230 nan 0.000 0.432 293 G N 0.300 109.076 108.800 -0.040 0.000 2.440 293 G HA2 -0.288 3.672 3.960 0.000 0.000 0.218 293 G HA3 -0.288 3.672 3.960 0.000 0.000 0.218 293 G C 1.583 176.451 174.900 -0.053 0.000 1.154 293 G CA 0.790 45.867 45.100 -0.038 0.000 0.767 293 G HN 0.200 nan 8.290 nan 0.000 0.552 294 L N 0.326 121.519 121.223 -0.050 0.000 2.056 294 L HA 0.116 4.456 4.340 0.000 0.000 0.207 294 L C 2.914 179.729 176.870 -0.091 0.000 1.078 294 L CA 1.633 56.441 54.840 -0.054 0.000 0.749 294 L CB -0.410 41.630 42.059 -0.033 0.000 0.901 294 L HN 0.251 nan 8.230 nan 0.000 0.433 295 M N -1.495 118.026 119.600 -0.132 0.000 2.080 295 M HA -0.222 4.258 4.480 0.000 0.000 0.260 295 M C 2.035 178.229 176.300 -0.177 0.000 1.068 295 M CA 2.367 57.548 55.300 -0.198 0.000 1.109 295 M CB -0.737 31.672 32.600 -0.318 0.000 1.342 295 M HN 0.240 nan 8.290 nan 0.000 0.405 296 T N -0.178 114.290 114.554 -0.144 0.000 2.746 296 T HA -0.204 4.146 4.350 0.000 0.000 0.267 296 T C 1.637 176.275 174.700 -0.102 0.000 1.039 296 T CA 1.685 63.715 62.100 -0.118 0.000 1.142 296 T CB -0.319 68.499 68.868 -0.083 0.000 0.866 296 T HN 0.509 nan 8.240 nan 0.000 0.444 297 E N 0.748 120.897 120.200 -0.086 0.000 2.038 297 E HA -0.213 4.137 4.350 0.000 0.000 0.195 297 E C 2.053 178.601 176.600 -0.086 0.000 1.000 297 E CA 1.054 57.411 56.400 -0.072 0.000 0.803 297 E CB 0.084 29.750 29.700 -0.056 0.000 0.750 297 E HN 0.191 nan 8.360 nan 0.000 0.448 298 K N 0.431 120.770 120.400 -0.102 0.000 2.103 298 K HA -0.075 4.245 4.320 0.000 0.000 0.204 298 K C 2.362 178.874 176.600 -0.146 0.000 1.052 298 K CA 0.667 56.885 56.287 -0.115 0.000 0.945 298 K CB -0.439 31.991 32.500 -0.117 0.000 0.722 298 K HN 0.278 nan 8.250 nan 0.000 0.443 299 L N 0.814 121.938 121.223 -0.166 0.000 2.042 299 L HA -0.178 4.162 4.340 0.000 0.000 0.210 299 L C 2.689 179.465 176.870 -0.157 0.000 1.076 299 L CA 1.287 56.012 54.840 -0.191 0.000 0.749 299 L CB -0.576 41.362 42.059 -0.202 0.000 0.893 299 L HN 0.149 nan 8.230 nan 0.000 0.432 300 S N -0.795 114.833 115.700 -0.121 0.000 2.368 300 S HA -0.264 4.206 4.470 0.000 0.000 0.225 300 S C 2.014 176.566 174.600 -0.080 0.000 1.030 300 S CA 1.545 59.691 58.200 -0.090 0.000 0.999 300 S CB -0.131 63.026 63.200 -0.072 0.000 0.844 300 S HN 0.462 nan 8.310 nan 0.000 0.459 301 Q N -0.339 119.411 119.800 -0.084 0.000 2.167 301 Q HA -0.036 4.304 4.340 0.000 0.000 0.202 301 Q C 1.065 177.016 176.000 -0.082 0.000 0.970 301 Q CA 0.979 56.740 55.803 -0.070 0.000 0.855 301 Q CB 0.051 28.750 28.738 -0.066 0.000 0.911 301 Q HN 0.265 nan 8.270 nan 0.000 0.438 302 K N 0.560 120.882 120.400 -0.130 0.000 2.374 302 K HA 0.100 4.420 4.320 0.000 0.000 0.196 302 K C -0.097 176.388 176.600 -0.191 0.000 1.023 302 K CA -0.065 56.111 56.287 -0.185 0.000 1.103 302 K CB 0.384 32.717 32.500 -0.278 0.000 0.848 302 K HN 0.233 nan 8.250 nan 0.000 0.528 303 N N 1.543 120.174 118.700 -0.115 0.000 2.738 303 N HA -0.175 4.565 4.740 0.000 0.000 0.249 303 N C -0.815 174.646 175.510 -0.083 0.000 1.047 303 N CA 0.637 53.656 53.050 -0.051 0.000 0.707 303 N CB -0.854 37.656 38.487 0.038 0.000 0.937 303 N HN 0.150 nan 8.380 nan 0.000 0.545 304 I N 0.890 121.320 120.570 -0.233 0.000 2.353 304 I HA 0.162 4.332 4.170 0.000 0.000 0.293 304 I C 0.625 176.629 176.117 -0.189 0.000 0.992 304 I CA -0.497 60.609 61.300 -0.323 0.000 1.268 304 I CB 0.947 38.677 38.000 -0.450 0.000 1.387 304 I HN -0.002 nan 8.210 nan 0.000 0.478 305 N N 5.499 124.122 118.700 -0.127 0.000 2.500 305 N HA 0.291 5.032 4.740 0.000 0.000 0.236 305 N C -0.470 174.983 175.510 -0.095 0.000 1.022 305 N CA -0.497 52.502 53.050 -0.086 0.000 0.935 305 N CB 0.876 39.352 38.487 -0.019 0.000 1.147 305 N HN 0.388 nan 8.380 nan 0.000 0.512 306 L N 3.705 124.820 121.223 -0.181 0.000 2.319 306 L HA 0.443 4.783 4.340 0.000 0.000 0.280 306 L C -0.871 175.831 176.870 -0.281 0.000 1.099 306 L CA -0.032 54.649 54.840 -0.266 0.000 0.828 306 L CB 0.231 42.014 42.059 -0.460 0.000 1.150 306 L HN 0.472 nan 8.230 nan 0.000 0.442 307 I N 5.974 126.438 120.570 -0.177 0.000 2.382 307 I HA 0.236 4.406 4.170 0.000 0.000 0.286 307 I C -0.891 175.213 176.117 -0.021 0.000 1.002 307 I CA -0.372 60.877 61.300 -0.086 0.000 1.135 307 I CB 0.834 38.854 38.000 0.033 0.000 1.288 307 I HN 0.387 nan 8.210 nan 0.000 0.448 308 F N 5.433 125.452 119.950 0.115 0.000 2.434 308 F HA 0.402 4.929 4.527 0.000 0.000 0.358 308 F C 0.843 176.677 175.800 0.055 0.000 1.136 308 F CA -0.699 57.379 58.000 0.131 0.000 1.157 308 F CB 0.681 39.759 39.000 0.130 0.000 1.167 308 F HN 0.440 nan 8.300 nan 0.000 0.539 309 A N 4.724 127.662 122.820 0.196 0.000 2.444 309 A HA 0.672 4.992 4.320 0.000 0.000 0.332 309 A C -0.582 176.999 177.584 -0.005 0.000 1.430 309 A CA -0.501 51.581 52.037 0.075 0.000 0.975 309 A CB -0.069 18.948 19.000 0.029 0.000 1.147 309 A HN 0.638 nan 8.150 nan 0.000 0.524 310 V N 0.526 120.435 119.914 -0.008 0.000 2.876 310 V HA 0.870 4.990 4.120 0.000 0.000 0.312 310 V C 0.141 176.235 176.094 -0.001 0.000 1.085 310 V CA -0.227 62.029 62.300 -0.074 0.000 0.945 310 V CB 1.165 32.852 31.823 -0.225 0.000 1.017 310 V HN 0.890 nan 8.190 nan 0.000 0.428 311 T N -0.499 114.055 114.554 0.001 0.000 2.813 311 T HA 0.300 4.650 4.350 0.000 0.000 0.297 311 T C 0.889 175.615 174.700 0.042 0.000 1.036 311 T CA 0.448 62.560 62.100 0.021 0.000 1.044 311 T CB 0.736 69.611 68.868 0.012 0.000 0.993 311 T HN 0.845 nan 8.240 nan 0.000 0.535 312 E N 1.199 121.421 120.200 0.036 0.000 2.130 312 E HA -0.229 4.121 4.350 0.000 0.000 0.196 312 E C 2.194 178.816 176.600 0.038 0.000 0.998 312 E CA 1.478 57.901 56.400 0.038 0.000 0.806 312 E CB -0.170 29.547 29.700 0.029 0.000 0.738 312 E HN 0.777 nan 8.360 nan 0.000 0.459 313 N N 0.772 119.493 118.700 0.035 0.000 2.381 313 N HA -0.112 4.628 4.740 0.000 0.000 0.182 313 N C 1.608 177.142 175.510 0.040 0.000 1.025 313 N CA 1.610 54.678 53.050 0.030 0.000 0.888 313 N CB 0.038 38.539 38.487 0.024 0.000 0.965 313 N HN 0.200 nan 8.380 nan 0.000 0.438 314 V N -3.302 116.659 119.914 0.079 0.000 3.276 314 V HA 0.293 4.413 4.120 0.000 0.000 0.319 314 V C 1.821 178.029 176.094 0.191 0.000 1.427 314 V CA -0.382 61.997 62.300 0.131 0.000 1.102 314 V CB -0.039 31.938 31.823 0.257 0.000 1.020 314 V HN -0.084 nan 8.190 nan 0.000 0.456 315 V N 1.611 121.599 119.914 0.123 0.000 2.343 315 V HA -0.181 3.939 4.120 0.000 0.000 0.247 315 V C 2.614 178.762 176.094 0.090 0.000 1.051 315 V CA 2.622 64.998 62.300 0.127 0.000 1.036 315 V CB -0.808 31.065 31.823 0.084 0.000 0.654 315 V HN 0.618 nan 8.190 nan 0.000 0.451 316 N N 0.070 118.786 118.700 0.027 0.000 2.142 316 N HA -0.123 4.617 4.740 0.000 0.000 0.186 316 N C 1.682 177.130 175.510 -0.103 0.000 1.023 316 N CA 1.198 54.233 53.050 -0.024 0.000 0.852 316 N CB -0.542 37.921 38.487 -0.040 0.000 0.998 316 N HN 0.384 nan 8.380 nan 0.000 0.424 317 L N 0.336 121.462 121.223 -0.162 0.000 1.990 317 L HA -0.181 4.159 4.340 0.000 0.000 0.213 317 L C 1.742 178.299 176.870 -0.523 0.000 1.072 317 L CA 1.751 56.343 54.840 -0.413 0.000 0.755 317 L CB -0.920 40.874 42.059 -0.442 0.000 0.889 317 L HN 0.131 nan 8.230 nan 0.000 0.432 318 Y N -0.589 119.596 120.300 -0.191 0.000 2.337 318 Y HA -0.112 4.438 4.550 0.000 0.000 0.293 318 Y C 2.687 178.578 175.900 -0.015 0.000 1.123 318 Y CA 1.216 59.209 58.100 -0.178 0.000 1.201 318 Y CB -0.351 37.967 38.460 -0.235 0.000 1.011 318 Y HN 0.326 nan 8.280 nan 0.000 0.545 319 Q N 0.008 119.890 119.800 0.136 0.000 2.096 319 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 319 Q C 1.700 177.738 176.000 0.063 0.000 0.982 319 Q CA 1.626 57.501 55.803 0.120 0.000 0.850 319 Q CB -0.151 28.630 28.738 0.073 0.000 0.901 319 Q HN 0.463 nan 8.270 nan 0.000 0.422 320 N N -0.656 118.009 118.700 -0.058 0.000 2.216 320 N HA -0.123 4.617 4.740 0.000 0.000 0.183 320 N C 1.401 176.888 175.510 -0.038 0.000 1.017 320 N CA 1.039 54.028 53.050 -0.101 0.000 0.861 320 N CB -0.289 38.066 38.487 -0.221 0.000 0.986 320 N HN 0.275 nan 8.380 nan 0.000 0.428 321 Y N 1.192 121.480 120.300 -0.021 0.000 2.181 321 Y HA -0.088 4.462 4.550 0.000 0.000 0.288 321 Y C 2.766 178.761 175.900 0.158 0.000 1.146 321 Y CA 0.657 58.777 58.100 0.034 0.000 1.164 321 Y CB -1.036 37.403 38.460 -0.035 0.000 0.982 321 Y HN 0.037 nan 8.280 nan 0.000 0.515 322 S N -0.135 115.809 115.700 0.407 0.000 2.400 322 S HA -0.236 4.234 4.470 0.000 0.000 0.232 322 S C 1.838 176.547 174.600 0.181 0.000 1.025 322 S CA 1.682 60.095 58.200 0.356 0.000 0.993 322 S CB -0.253 63.164 63.200 0.361 0.000 0.808 322 S HN 0.589 nan 8.310 nan 0.000 0.478 323 E N 0.126 120.408 120.200 0.136 0.000 2.204 323 E HA 0.012 4.362 4.350 0.000 0.000 0.194 323 E C 1.722 178.365 176.600 0.071 0.000 0.989 323 E CA 0.932 57.380 56.400 0.079 0.000 0.824 323 E CB -0.081 29.650 29.700 0.051 0.000 0.756 323 E HN 0.524 nan 8.360 nan 0.000 0.477 324 L N 0.395 121.679 121.223 0.102 0.000 2.509 324 L HA 0.148 4.488 4.340 0.000 0.000 0.222 324 L C 0.609 177.515 176.870 0.061 0.000 1.123 324 L CA 0.192 55.082 54.840 0.083 0.000 0.856 324 L CB 0.320 42.450 42.059 0.118 0.000 0.985 324 L HN 0.041 nan 8.230 nan 0.000 0.456 325 I N 0.894 121.507 120.570 0.073 0.000 2.621 325 I HA 0.267 4.437 4.170 0.000 0.000 0.276 325 I C -2.383 173.736 176.117 0.003 0.000 1.118 325 I CA -1.856 59.454 61.300 0.017 0.000 1.159 325 I CB 0.977 38.976 38.000 -0.001 0.000 1.357 325 I HN -0.233 nan 8.210 nan 0.000 0.513 326 P HA 0.102 nan 4.420 nan 0.000 0.264 326 P C 1.018 178.298 177.300 -0.033 0.000 1.193 326 P CA 0.763 63.856 63.100 -0.013 0.000 0.763 326 P CB 0.749 32.437 31.700 -0.020 0.000 0.810 327 G N 1.383 110.167 108.800 -0.027 0.000 2.195 327 G HA2 -0.196 3.764 3.960 0.000 0.000 0.224 327 G HA3 -0.196 3.764 3.960 0.000 0.000 0.224 327 G C 0.289 175.155 174.900 -0.057 0.000 0.990 327 G CA 0.174 45.250 45.100 -0.040 0.000 0.639 327 G HN 0.792 nan 8.290 nan 0.000 0.514 328 T N -0.360 114.157 114.554 -0.062 0.000 2.904 328 T HA 0.642 4.992 4.350 0.000 0.000 0.290 328 T C 0.050 174.732 174.700 -0.030 0.000 1.018 328 T CA 0.543 62.575 62.100 -0.113 0.000 1.075 328 T CB 2.177 70.932 68.868 -0.187 0.000 0.986 328 T HN 0.395 nan 8.240 nan 0.000 0.523 329 T N 1.400 115.930 114.554 -0.041 0.000 2.887 329 T HA 0.619 4.969 4.350 0.000 0.000 0.288 329 T C -0.687 174.079 174.700 0.110 0.000 1.021 329 T CA -0.714 61.409 62.100 0.039 0.000 1.000 329 T CB 1.641 70.526 68.868 0.028 0.000 1.034 329 T HN 0.646 nan 8.240 nan 0.000 0.467 330 V N 1.410 121.415 119.914 0.152 0.000 2.588 330 V HA 0.861 4.981 4.120 0.000 0.000 0.304 330 V C 0.355 176.534 176.094 0.141 0.000 1.042 330 V CA -0.654 61.770 62.300 0.206 0.000 0.877 330 V CB 1.847 33.818 31.823 0.247 0.000 0.996 330 V HN 1.104 nan 8.190 nan 0.000 0.425 331 G N 2.285 111.165 108.800 0.135 0.000 2.563 331 G HA2 0.626 4.586 3.960 0.000 0.000 0.302 331 G HA3 0.626 4.586 3.960 0.000 0.000 0.302 331 G C -1.243 173.710 174.900 0.088 0.000 1.301 331 G CA -0.667 44.493 45.100 0.099 0.000 0.965 331 G HN 0.535 nan 8.290 nan 0.000 0.480 332 V N 1.847 121.804 119.914 0.071 0.000 2.408 332 V HA 0.289 4.409 4.120 0.000 0.000 0.267 332 V C 0.034 176.158 176.094 0.050 0.000 1.047 332 V CA -0.550 61.785 62.300 0.059 0.000 0.937 332 V CB 0.850 32.704 31.823 0.052 0.000 0.999 332 V HN 0.592 nan 8.190 nan 0.000 0.472 333 L N 5.422 126.670 121.223 0.040 0.000 2.292 333 L HA 0.499 4.839 4.340 0.000 0.000 0.284 333 L C 0.672 177.559 176.870 0.028 0.000 1.065 333 L CA 0.769 55.630 54.840 0.034 0.000 0.806 333 L CB 1.583 43.652 42.059 0.016 0.000 1.175 333 L HN 0.683 nan 8.230 nan 0.000 0.431 334 S N 5.132 120.852 115.700 0.033 0.000 2.576 334 S HA 0.103 4.573 4.470 0.000 0.000 0.272 334 S C 1.360 175.970 174.600 0.015 0.000 1.352 334 S CA -0.454 57.762 58.200 0.028 0.000 1.021 334 S CB 0.542 63.762 63.200 0.034 0.000 0.887 334 S HN 0.664 nan 8.310 nan 0.000 0.542 335 M N 1.920 121.526 119.600 0.010 0.000 2.706 335 M HA -0.060 4.420 4.480 0.000 0.000 0.251 335 M C 0.611 176.899 176.300 -0.020 0.000 1.070 335 M CA 0.985 56.282 55.300 -0.005 0.000 1.073 335 M CB -1.385 31.214 32.600 -0.001 0.000 1.449 335 M HN 0.672 nan 8.290 nan 0.000 0.531 336 D N -2.643 117.756 120.400 -0.003 0.000 2.527 336 D HA 0.129 4.769 4.640 0.000 0.000 0.224 336 D C 0.287 176.596 176.300 0.015 0.000 1.217 336 D CA 0.084 54.079 54.000 -0.008 0.000 0.819 336 D CB -0.090 40.725 40.800 0.025 0.000 1.061 336 D HN 0.059 nan 8.370 nan 0.000 0.515 337 S N -0.698 115.019 115.700 0.028 0.000 3.358 337 S HA -0.274 4.196 4.470 0.000 0.000 0.309 337 S C 1.439 176.083 174.600 0.073 0.000 1.247 337 S CA 0.974 59.212 58.200 0.064 0.000 0.961 337 S CB -2.364 60.894 63.200 0.098 0.000 1.074 337 S HN 0.641 nan 8.310 nan 0.000 0.625 338 S N 1.735 117.470 115.700 0.058 0.000 2.474 338 S HA -0.133 4.337 4.470 0.000 0.000 0.235 338 S C 1.332 175.966 174.600 0.056 0.000 0.997 338 S CA 0.953 59.188 58.200 0.058 0.000 0.949 338 S CB -0.369 62.863 63.200 0.053 0.000 0.766 338 S HN 0.862 nan 8.310 nan 0.000 0.517 339 N N 0.902 119.637 118.700 0.059 0.000 2.203 339 N HA 0.115 4.855 4.740 0.000 0.000 0.207 339 N C 1.162 176.715 175.510 0.073 0.000 1.130 339 N CA 0.222 53.307 53.050 0.058 0.000 0.861 339 N CB -0.078 38.440 38.487 0.051 0.000 1.005 339 N HN 0.292 nan 8.380 nan 0.000 0.507 340 V N 0.537 120.507 119.914 0.095 0.000 2.407 340 V HA -0.141 3.980 4.120 0.000 0.000 0.248 340 V C 2.176 178.345 176.094 0.125 0.000 1.055 340 V CA 1.072 63.450 62.300 0.131 0.000 1.049 340 V CB -0.511 31.442 31.823 0.217 0.000 0.662 340 V HN 0.292 nan 8.190 nan 0.000 0.455 341 L N 0.493 121.772 121.223 0.094 0.000 1.990 341 L HA -0.238 4.102 4.340 0.000 0.000 0.213 341 L C 2.443 179.350 176.870 0.062 0.000 1.072 341 L CA 2.850 57.728 54.840 0.064 0.000 0.755 341 L CB -1.152 40.926 42.059 0.033 0.000 0.889 341 L HN 0.490 nan 8.230 nan 0.000 0.432 342 Q N -0.815 119.020 119.800 0.059 0.000 2.172 342 Q HA -0.158 4.182 4.340 0.000 0.000 0.200 342 Q C 2.245 178.287 176.000 0.070 0.000 0.964 342 Q CA 1.674 57.512 55.803 0.058 0.000 0.855 342 Q CB -0.481 28.287 28.738 0.049 0.000 0.918 342 Q HN 0.633 nan 8.270 nan 0.000 0.444 343 L N -0.532 120.737 121.223 0.077 0.000 2.042 343 L HA -0.164 4.176 4.340 0.000 0.000 0.210 343 L C 1.938 178.866 176.870 0.096 0.000 1.076 343 L CA 1.253 56.144 54.840 0.084 0.000 0.749 343 L CB -0.135 41.976 42.059 0.086 0.000 0.893 343 L HN 0.322 nan 8.230 nan 0.000 0.432 344 I N -1.617 119.016 120.570 0.104 0.000 2.286 344 I HA -0.241 3.929 4.170 0.000 0.000 0.245 344 I C 2.322 178.515 176.117 0.127 0.000 1.104 344 I CA 0.801 62.170 61.300 0.116 0.000 1.397 344 I CB -0.159 37.909 38.000 0.114 0.000 1.072 344 I HN 0.043 nan 8.210 nan 0.000 0.417 345 V N 0.826 120.803 119.914 0.106 0.000 2.343 345 V HA -0.280 3.840 4.120 0.000 0.000 0.247 345 V C 2.016 178.202 176.094 0.154 0.000 1.051 345 V CA 1.935 64.310 62.300 0.126 0.000 1.036 345 V CB -0.649 31.224 31.823 0.084 0.000 0.654 345 V HN 0.389 nan 8.190 nan 0.000 0.451 346 D N 0.504 120.970 120.400 0.111 0.000 2.117 346 D HA -0.106 4.534 4.640 0.000 0.000 0.197 346 D C 2.225 178.582 176.300 0.095 0.000 0.987 346 D CA 1.625 55.680 54.000 0.092 0.000 0.829 346 D CB -0.375 40.468 40.800 0.071 0.000 0.961 346 D HN 0.435 nan 8.370 nan 0.000 0.460 347 A N 0.123 123.010 122.820 0.112 0.000 1.902 347 A HA -0.216 4.104 4.320 0.000 0.000 0.217 347 A C 2.184 179.843 177.584 0.126 0.000 1.181 347 A CA 1.190 53.289 52.037 0.104 0.000 0.623 347 A CB -1.026 18.038 19.000 0.107 0.000 0.818 347 A HN 0.292 nan 8.150 nan 0.000 0.443 348 Y N 0.940 121.264 120.300 0.040 0.000 2.097 348 Y HA -0.146 4.404 4.550 0.000 0.000 0.282 348 Y C 2.509 178.426 175.900 0.028 0.000 1.152 348 Y CA 1.603 59.724 58.100 0.036 0.000 1.136 348 Y CB -0.962 37.523 38.460 0.042 0.000 0.975 348 Y HN 0.224 nan 8.280 nan 0.000 0.498 349 G N -0.102 108.696 108.800 -0.002 0.000 2.476 349 G HA2 -0.351 3.609 3.960 0.000 0.000 0.218 349 G HA3 -0.351 3.609 3.960 0.000 0.000 0.218 349 G C 1.796 176.639 174.900 -0.094 0.000 1.164 349 G CA 1.140 46.188 45.100 -0.086 0.000 0.768 349 G HN 0.415 nan 8.290 nan 0.000 0.560 350 K N -0.181 120.200 120.400 -0.033 0.000 2.097 350 K HA 0.053 4.373 4.320 0.000 0.000 0.205 350 K C 2.521 179.092 176.600 -0.047 0.000 1.050 350 K CA 0.736 57.009 56.287 -0.023 0.000 0.938 350 K CB -0.215 32.292 32.500 0.012 0.000 0.718 350 K HN 0.371 nan 8.250 nan 0.000 0.442 351 I N 0.582 121.111 120.570 -0.069 0.000 2.226 351 I HA -0.257 3.913 4.170 0.000 0.000 0.245 351 I C 1.700 177.743 176.117 -0.124 0.000 1.100 351 I CA 1.341 62.593 61.300 -0.081 0.000 1.374 351 I CB -0.005 37.959 38.000 -0.060 0.000 1.057 351 I HN 0.061 nan 8.210 nan 0.000 0.413 352 R N 0.004 120.369 120.500 -0.226 0.000 2.426 352 R HA 0.074 4.414 4.340 0.000 0.000 0.263 352 R C 1.712 177.951 176.300 -0.103 0.000 0.961 352 R CA 0.443 56.420 56.100 -0.205 0.000 1.086 352 R CB 0.052 30.124 30.300 -0.380 0.000 1.186 352 R HN 0.339 nan 8.270 nan 0.000 0.537 353 S N -0.512 115.146 115.700 -0.069 0.000 2.593 353 S HA 0.112 4.582 4.470 0.000 0.000 0.217 353 S C 0.462 175.059 174.600 -0.004 0.000 0.966 353 S CA -0.063 58.119 58.200 -0.031 0.000 0.914 353 S CB 0.240 63.425 63.200 -0.025 0.000 0.776 353 S HN 0.044 nan 8.310 nan 0.000 0.523 354 K N 0.810 121.215 120.400 0.009 0.000 2.270 354 K HA 0.710 5.030 4.320 0.000 0.000 0.255 354 K C -1.601 175.033 176.600 0.058 0.000 0.936 354 K CA -0.650 55.652 56.287 0.025 0.000 0.809 354 K CB 2.488 34.995 32.500 0.013 0.000 1.131 354 K HN -0.007 nan 8.250 nan 0.000 0.427 355 V N 2.101 122.041 119.914 0.043 0.000 2.531 355 V HA 0.355 4.475 4.120 0.000 0.000 0.301 355 V C -0.999 175.087 176.094 -0.014 0.000 1.034 355 V CA -0.619 61.680 62.300 -0.002 0.000 0.865 355 V CB 1.706 33.539 31.823 0.016 0.000 0.995 355 V HN 0.819 nan 8.190 nan 0.000 0.424 356 E N 4.800 124.923 120.200 -0.128 0.000 2.361 356 E HA 0.431 4.781 4.350 0.000 0.000 0.270 356 E C -1.412 175.021 176.600 -0.278 0.000 0.911 356 E CA -0.552 55.745 56.400 -0.171 0.000 0.818 356 E CB 1.315 30.951 29.700 -0.106 0.000 1.332 356 E HN 0.627 nan 8.360 nan 0.000 0.402 357 L N 3.958 124.915 121.223 -0.443 0.000 2.426 357 L HA 0.277 4.617 4.340 0.000 0.000 0.271 357 L C 0.397 177.067 176.870 -0.334 0.000 1.169 357 L CA 0.285 54.856 54.840 -0.448 0.000 0.836 357 L CB 0.560 42.226 42.059 -0.655 0.000 1.112 357 L HN 0.605 nan 8.230 nan 0.000 0.465 358 E N 1.775 121.851 120.200 -0.207 0.000 2.343 358 E HA 0.646 4.996 4.350 0.000 0.000 0.270 358 E C -1.672 174.904 176.600 -0.040 0.000 0.895 358 E CA -0.959 55.360 56.400 -0.135 0.000 0.767 358 E CB 2.278 31.920 29.700 -0.097 0.000 1.248 358 E HN 0.205 nan 8.360 nan 0.000 0.440 359 V N 2.192 122.108 119.914 0.004 0.000 2.459 359 V HA 0.506 4.626 4.120 0.000 0.000 0.295 359 V C -0.239 175.901 176.094 0.077 0.000 1.029 359 V CA -0.761 61.600 62.300 0.102 0.000 0.874 359 V CB 1.217 33.115 31.823 0.126 0.000 0.985 359 V HN 0.633 nan 8.190 nan 0.000 0.438 360 R N 2.922 123.497 120.500 0.125 0.000 2.494 360 R HA 0.514 4.854 4.340 0.000 0.000 0.305 360 R C -0.684 175.696 176.300 0.134 0.000 0.959 360 R CA -0.669 55.487 56.100 0.093 0.000 0.864 360 R CB 1.305 31.647 30.300 0.070 0.000 1.159 360 R HN 0.835 nan 8.270 nan 0.000 0.446 361 D N 1.258 121.706 120.400 0.081 0.000 2.907 361 D HA -0.178 4.462 4.640 0.000 0.000 0.226 361 D C -0.516 175.831 176.300 0.078 0.000 1.141 361 D CA 0.536 54.587 54.000 0.086 0.000 0.779 361 D CB -0.838 40.031 40.800 0.115 0.000 1.095 361 D HN 0.230 nan 8.370 nan 0.000 0.430 362 L N 1.373 122.579 121.223 -0.029 0.000 2.477 362 L HA 0.249 4.589 4.340 0.000 0.000 0.272 362 L C -1.752 175.055 176.870 -0.106 0.000 1.157 362 L CA -0.556 54.154 54.840 -0.216 0.000 0.889 362 L CB 0.283 42.172 42.059 -0.283 0.000 1.158 362 L HN -0.231 nan 8.230 nan 0.000 0.473 363 P HA 0.001 nan 4.420 nan 0.000 0.266 363 P C 0.410 177.687 177.300 -0.038 0.000 1.195 363 P CA -0.031 63.068 63.100 -0.002 0.000 0.768 363 P CB 0.641 32.397 31.700 0.093 0.000 0.838 364 E N 1.776 121.955 120.200 -0.035 0.000 2.136 364 E HA -0.278 4.072 4.350 0.000 0.000 0.202 364 E C 1.115 177.684 176.600 -0.051 0.000 1.019 364 E CA 1.859 58.233 56.400 -0.044 0.000 0.819 364 E CB -0.167 29.506 29.700 -0.045 0.000 0.739 364 E HN 0.477 nan 8.360 nan 0.000 0.458 365 E N -0.625 119.537 120.200 -0.063 0.000 2.427 365 E HA 0.082 4.432 4.350 0.000 0.000 0.196 365 E C -0.094 176.493 176.600 -0.022 0.000 1.028 365 E CA 0.184 56.541 56.400 -0.072 0.000 0.864 365 E CB 0.146 29.745 29.700 -0.168 0.000 0.813 365 E HN 0.244 nan 8.360 nan 0.000 0.514 366 L N 1.173 122.390 121.223 -0.010 0.000 2.307 366 L HA 0.363 4.703 4.340 0.000 0.000 0.282 366 L C -0.118 176.715 176.870 -0.063 0.000 1.051 366 L CA -0.759 54.072 54.840 -0.014 0.000 0.804 366 L CB 1.399 43.428 42.059 -0.049 0.000 1.197 366 L HN 0.011 nan 8.230 nan 0.000 0.431 367 S N 3.865 119.534 115.700 -0.050 0.000 2.536 367 S HA 0.789 5.259 4.470 0.000 0.000 0.298 367 S C -0.843 173.708 174.600 -0.081 0.000 1.083 367 S CA -0.898 57.268 58.200 -0.057 0.000 0.995 367 S CB 1.947 65.127 63.200 -0.033 0.000 1.058 367 S HN 0.442 nan 8.310 nan 0.000 0.488 368 L N 2.296 123.465 121.223 -0.090 0.000 2.342 368 L HA 0.762 5.102 4.340 0.000 0.000 0.271 368 L C -0.079 176.669 176.870 -0.203 0.000 1.008 368 L CA -0.691 54.023 54.840 -0.211 0.000 0.818 368 L CB 2.381 44.278 42.059 -0.271 0.000 1.296 368 L HN 0.983 nan 8.230 nan 0.000 0.427 369 S N 0.651 116.121 115.700 -0.384 0.000 2.542 369 S HA 0.812 5.282 4.470 0.000 0.000 0.293 369 S C -1.101 173.223 174.600 -0.459 0.000 1.089 369 S CA -0.667 57.402 58.200 -0.219 0.000 0.961 369 S CB 1.709 64.847 63.200 -0.104 0.000 1.062 369 S HN 0.292 nan 8.310 nan 0.000 0.483 370 F N 1.134 121.060 119.950 -0.040 0.000 2.539 370 F HA 0.532 5.059 4.527 0.000 0.000 0.318 370 F C -0.159 175.662 175.800 0.035 0.000 1.135 370 F CA -0.807 57.188 58.000 -0.009 0.000 0.915 370 F CB 1.953 40.946 39.000 -0.011 0.000 1.176 370 F HN 0.486 nan 8.300 nan 0.000 0.440 371 N N 1.805 120.624 118.700 0.198 0.000 2.399 371 N HA 0.713 5.453 4.740 0.000 0.000 0.295 371 N C -1.004 174.618 175.510 0.187 0.000 1.048 371 N CA -0.649 52.486 53.050 0.142 0.000 0.886 371 N CB 2.072 40.588 38.487 0.048 0.000 1.185 371 N HN 0.689 nan 8.380 nan 0.000 0.487 372 A N 1.095 123.983 122.820 0.114 0.000 2.318 372 A HA 0.621 4.941 4.320 0.000 0.000 0.324 372 A C -0.416 177.057 177.584 -0.185 0.000 1.170 372 A CA -0.535 51.460 52.037 -0.070 0.000 0.810 372 A CB 0.477 19.511 19.000 0.056 0.000 1.198 372 A HN 0.476 nan 8.150 nan 0.000 0.484 373 T N 2.642 116.997 114.554 -0.331 0.000 2.853 373 T HA 0.446 4.796 4.350 0.000 0.000 0.317 373 T C -0.119 174.422 174.700 -0.266 0.000 1.059 373 T CA -0.202 61.761 62.100 -0.228 0.000 0.954 373 T CB -0.419 68.347 68.868 -0.170 0.000 0.994 373 T HN 0.733 nan 8.240 nan 0.000 0.479 374 c N 2.236 120.725 118.600 -0.185 0.000 2.656 374 c HA 0.659 5.230 4.570 0.000 0.000 0.404 374 c C 1.771 175.808 174.090 -0.089 0.000 1.423 374 c CA -1.026 55.215 56.329 -0.147 0.000 1.784 374 c CB 0.108 42.551 42.510 -0.112 0.000 2.093 374 c HN 0.961 nan 8.230 nan 0.000 0.492 375 L N 0.239 121.423 121.223 -0.065 0.000 3.727 375 L HA -0.329 4.012 4.340 0.000 0.000 0.053 375 L C 0.044 176.890 176.870 -0.041 0.000 4.196 375 L CA 2.516 57.330 54.840 -0.043 0.000 0.843 375 L CB -1.110 40.929 42.059 -0.034 0.000 3.418 375 L HN 1.048 nan 8.230 nan 0.000 0.804 376 N N -0.768 117.907 118.700 -0.041 0.000 2.732 376 N HA 0.269 5.009 4.740 0.000 0.000 0.235 376 N C -0.364 175.124 175.510 -0.037 0.000 1.466 376 N CA -0.004 53.025 53.050 -0.035 0.000 0.751 376 N CB 0.486 38.959 38.487 -0.024 0.000 1.317 376 N HN 0.443 nan 8.380 nan 0.000 0.525 377 N N -0.089 118.582 118.700 -0.048 0.000 2.741 377 N HA -0.192 4.548 4.740 0.000 0.000 0.250 377 N C -1.137 174.347 175.510 -0.044 0.000 1.115 377 N CA 0.805 53.827 53.050 -0.047 0.000 0.724 377 N CB -0.815 37.651 38.487 -0.034 0.000 1.090 377 N HN 0.762 nan 8.380 nan 0.000 0.558 378 E N 0.703 120.875 120.200 -0.047 0.000 2.055 378 E HA 0.302 4.652 4.350 0.000 0.000 0.274 378 E C -0.051 176.522 176.600 -0.046 0.000 0.949 378 E CA -0.485 55.891 56.400 -0.039 0.000 0.775 378 E CB 1.550 31.231 29.700 -0.031 0.000 1.097 378 E HN -0.045 nan 8.360 nan 0.000 0.404 379 V N 5.468 125.359 119.914 -0.038 0.000 2.572 379 V HA 0.134 4.254 4.120 0.000 0.000 0.291 379 V C 0.360 176.443 176.094 -0.020 0.000 1.039 379 V CA 0.199 62.478 62.300 -0.035 0.000 1.055 379 V CB 0.427 32.235 31.823 -0.025 0.000 0.969 379 V HN 0.538 nan 8.190 nan 0.000 0.482 380 I N 7.544 128.107 120.570 -0.012 0.000 2.411 380 I HA 0.373 4.543 4.170 0.000 0.000 0.284 380 I C -2.378 173.757 176.117 0.031 0.000 1.012 380 I CA -1.986 59.318 61.300 0.007 0.000 1.119 380 I CB 2.150 40.154 38.000 0.008 0.000 1.261 380 I HN 0.434 nan 8.210 nan 0.000 0.448 381 P HA 0.158 nan 4.420 nan 0.000 0.278 381 P C 0.590 177.923 177.300 0.054 0.000 1.238 381 P CA 0.276 63.400 63.100 0.040 0.000 0.794 381 P CB 1.161 32.874 31.700 0.022 0.000 0.955 382 G N 0.790 109.638 108.800 0.080 0.000 2.272 382 G HA2 -0.171 3.789 3.960 0.000 0.000 0.280 382 G HA3 -0.171 3.789 3.960 0.000 0.000 0.280 382 G C -0.645 174.307 174.900 0.087 0.000 1.067 382 G CA -0.104 45.050 45.100 0.089 0.000 0.902 382 G HN 0.565 nan 8.290 nan 0.000 0.500 383 L N -0.926 120.370 121.223 0.122 0.000 2.455 383 L HA 0.711 5.051 4.340 0.000 0.000 0.264 383 L C 0.476 177.417 176.870 0.119 0.000 0.968 383 L CA -0.514 54.376 54.840 0.083 0.000 0.827 383 L CB 1.716 43.824 42.059 0.082 0.000 1.317 383 L HN 0.250 nan 8.230 nan 0.000 0.407 384 K N 0.806 121.153 120.400 -0.089 0.000 2.506 384 K HA 0.457 4.777 4.320 0.000 0.000 0.204 384 K C -0.400 176.025 176.600 -0.292 0.000 1.045 384 K CA -0.166 55.888 56.287 -0.389 0.000 1.074 384 K CB 0.695 32.572 32.500 -1.038 0.000 0.842 384 K HN 0.424 nan 8.250 nan 0.000 0.514 385 S N -0.302 115.447 115.700 0.082 0.000 2.564 385 S HA 0.638 5.108 4.470 0.000 0.000 0.274 385 S C -0.809 173.913 174.600 0.203 0.000 1.124 385 S CA -0.771 57.501 58.200 0.119 0.000 0.869 385 S CB 1.659 64.849 63.200 -0.017 0.000 1.105 385 S HN 0.232 nan 8.310 nan 0.000 0.472 386 c N 2.674 121.372 118.600 0.163 0.000 2.441 386 c HA 0.732 5.302 4.570 0.000 0.000 0.318 386 c C 0.003 174.113 174.090 0.033 0.000 1.222 386 c CA -0.648 55.719 56.329 0.063 0.000 1.474 386 c CB 0.549 43.063 42.510 0.007 0.000 2.125 386 c HN 0.945 nan 8.230 nan 0.000 0.479 387 M N 1.403 121.010 119.600 0.013 0.000 2.821 387 M HA 0.604 5.084 4.480 0.000 0.000 0.304 387 M C 1.076 177.376 176.300 -0.001 0.000 1.233 387 M CA 0.012 55.315 55.300 0.006 0.000 0.851 387 M CB 1.149 33.752 32.600 0.005 0.000 1.723 387 M HN 0.943 nan 8.290 nan 0.000 0.493 388 G N 1.098 109.897 108.800 -0.002 0.000 2.198 388 G HA2 -0.202 3.758 3.960 0.000 0.000 0.260 388 G HA3 -0.202 3.758 3.960 0.000 0.000 0.260 388 G C -0.402 174.494 174.900 -0.007 0.000 1.025 388 G CA -0.047 45.051 45.100 -0.004 0.000 0.769 388 G HN 0.521 nan 8.290 nan 0.000 0.507 389 L N -0.591 120.627 121.223 -0.008 0.000 2.421 389 L HA 0.596 4.936 4.340 0.000 0.000 0.263 389 L C 0.627 177.489 176.870 -0.013 0.000 1.122 389 L CA -0.764 54.070 54.840 -0.009 0.000 0.804 389 L CB 0.782 42.840 42.059 -0.003 0.000 1.150 389 L HN -0.092 nan 8.230 nan 0.000 0.457 390 K N 1.625 122.018 120.400 -0.011 0.000 2.208 390 K HA 0.524 4.844 4.320 0.000 0.000 0.247 390 K C -0.490 176.102 176.600 -0.014 0.000 0.953 390 K CA -0.853 55.427 56.287 -0.012 0.000 0.837 390 K CB 2.145 34.643 32.500 -0.003 0.000 1.131 390 K HN 0.419 nan 8.250 nan 0.000 0.431 391 I N 1.163 121.720 120.570 -0.021 0.000 2.752 391 I HA -0.095 4.075 4.170 0.000 0.000 0.289 391 I C 1.355 177.476 176.117 0.007 0.000 1.197 391 I CA 1.358 62.648 61.300 -0.016 0.000 1.432 391 I CB -0.041 37.955 38.000 -0.006 0.000 1.359 391 I HN 1.001 nan 8.210 nan 0.000 0.571 392 G N 3.980 112.787 108.800 0.011 0.000 2.195 392 G HA2 -0.192 3.768 3.960 0.000 0.000 0.224 392 G HA3 -0.192 3.768 3.960 0.000 0.000 0.224 392 G C -0.048 174.861 174.900 0.015 0.000 0.990 392 G CA -0.497 44.614 45.100 0.018 0.000 0.639 392 G HN 0.582 nan 8.290 nan 0.000 0.514 393 D N 1.273 121.679 120.400 0.011 0.000 2.341 393 D HA 0.560 5.200 4.640 0.000 0.000 0.245 393 D C 0.317 176.624 176.300 0.011 0.000 1.106 393 D CA 0.681 54.684 54.000 0.005 0.000 0.905 393 D CB 1.258 42.056 40.800 -0.003 0.000 1.202 393 D HN 0.115 nan 8.370 nan 0.000 0.426 394 T N 0.452 115.005 114.554 -0.002 0.000 2.829 394 T HA 0.552 4.902 4.350 0.000 0.000 0.280 394 T C 0.020 174.695 174.700 -0.042 0.000 0.999 394 T CA -0.771 61.326 62.100 -0.004 0.000 0.983 394 T CB 1.465 70.334 68.868 0.001 0.000 0.968 394 T HN 0.237 nan 8.240 nan 0.000 0.446 395 V N 0.046 119.922 119.914 -0.063 0.000 3.074 395 V HA 1.020 5.140 4.120 0.000 0.000 0.314 395 V C -0.367 175.605 176.094 -0.203 0.000 1.117 395 V CA -1.063 61.135 62.300 -0.169 0.000 1.014 395 V CB 1.912 33.593 31.823 -0.236 0.000 1.057 395 V HN 1.017 nan 8.190 nan 0.000 0.438 396 S N 0.767 116.249 115.700 -0.364 0.000 2.595 396 S HA 0.908 5.378 4.470 0.000 0.000 0.281 396 S C -1.307 172.962 174.600 -0.552 0.000 1.117 396 S CA -0.631 57.410 58.200 -0.265 0.000 0.873 396 S CB 1.846 64.980 63.200 -0.109 0.000 1.108 396 S HN 0.782 nan 8.310 nan 0.000 0.477 397 F N 0.557 120.517 119.950 0.016 0.000 2.557 397 F HA 0.596 5.123 4.527 0.000 0.000 0.316 397 F C 0.424 176.222 175.800 -0.003 0.000 1.141 397 F CA -0.670 57.350 58.000 0.034 0.000 0.922 397 F CB 2.367 41.428 39.000 0.102 0.000 1.194 397 F HN 0.665 nan 8.300 nan 0.000 0.443 398 S N 3.912 119.680 115.700 0.113 0.000 2.545 398 S HA 0.742 5.212 4.470 0.000 0.000 0.275 398 S C -0.615 173.906 174.600 -0.132 0.000 1.299 398 S CA -0.274 57.913 58.200 -0.023 0.000 1.048 398 S CB 0.135 63.311 63.200 -0.041 0.000 0.938 398 S HN 0.490 nan 8.310 nan 0.000 0.496 399 I N 3.550 123.881 120.570 -0.397 0.000 2.498 399 I HA 0.426 4.596 4.170 0.000 0.000 0.290 399 I C -0.297 175.341 176.117 -0.798 0.000 1.032 399 I CA -0.554 60.305 61.300 -0.736 0.000 1.073 399 I CB 2.117 39.519 38.000 -0.997 0.000 1.251 399 I HN 0.608 nan 8.210 nan 0.000 0.426 400 E N 5.069 124.919 120.200 -0.583 0.000 2.191 400 E HA 0.687 5.037 4.350 0.000 0.000 0.263 400 E C -1.242 175.202 176.600 -0.260 0.000 0.881 400 E CA -0.747 55.438 56.400 -0.358 0.000 0.757 400 E CB 1.845 31.417 29.700 -0.213 0.000 1.147 400 E HN 0.731 nan 8.360 nan 0.000 0.414 401 A N 5.070 127.833 122.820 -0.094 0.000 2.274 401 A HA 0.359 4.679 4.320 0.000 0.000 0.309 401 A C -0.506 177.090 177.584 0.020 0.000 1.226 401 A CA -0.542 51.510 52.037 0.025 0.000 0.853 401 A CB 0.594 19.728 19.000 0.224 0.000 1.146 401 A HN 0.568 nan 8.150 nan 0.000 0.518 402 K N 3.314 123.716 120.400 0.003 0.000 2.507 402 K HA 0.478 4.798 4.320 0.000 0.000 0.253 402 K C -1.325 175.299 176.600 0.040 0.000 0.969 402 K CA -0.398 55.897 56.287 0.015 0.000 0.908 402 K CB 1.501 33.994 32.500 -0.012 0.000 1.127 402 K HN 0.527 nan 8.250 nan 0.000 0.437 403 V N 4.885 124.848 119.914 0.080 0.000 2.546 403 V HA 0.344 4.464 4.120 0.000 0.000 0.284 403 V C -0.434 175.685 176.094 0.041 0.000 1.050 403 V CA -0.548 61.817 62.300 0.108 0.000 0.981 403 V CB 1.153 33.123 31.823 0.246 0.000 0.990 403 V HN 0.791 nan 8.190 nan 0.000 0.474 404 R N 5.287 125.788 120.500 0.001 0.000 2.198 404 R HA 0.575 4.915 4.340 0.000 0.000 0.339 404 R C 0.556 176.825 176.300 -0.051 0.000 1.020 404 R CA 0.740 56.827 56.100 -0.022 0.000 0.864 404 R CB 0.444 30.726 30.300 -0.030 0.000 1.105 404 R HN 1.323 nan 8.270 nan 0.000 0.463 405 G N 2.439 111.217 108.800 -0.037 0.000 2.601 405 G HA2 -0.322 3.638 3.960 0.000 0.000 0.252 405 G HA3 -0.322 3.638 3.960 0.000 0.000 0.252 405 G C -0.912 173.937 174.900 -0.085 0.000 1.294 405 G CA -0.107 44.962 45.100 -0.053 0.000 0.912 405 G HN 0.773 nan 8.290 nan 0.000 0.574 406 c N 2.587 121.120 118.600 -0.112 0.000 2.301 406 c HA 0.764 5.334 4.570 0.000 0.000 0.323 406 c C -1.713 172.233 174.090 -0.240 0.000 1.265 406 c CA -1.176 55.056 56.329 -0.162 0.000 1.503 406 c CB 0.263 42.724 42.510 -0.081 0.000 2.195 406 c HN 0.775 nan 8.230 nan 0.000 0.477 407 P HA 0.172 nan 4.420 nan 0.000 0.272 407 P C 0.582 177.745 177.300 -0.228 0.000 1.230 407 P CA -0.086 62.782 63.100 -0.386 0.000 0.788 407 P CB 0.483 31.787 31.700 -0.661 0.000 0.949 408 Q N 0.632 120.345 119.800 -0.146 0.000 2.061 408 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 408 Q C -0.175 175.795 176.000 -0.051 0.000 0.984 408 Q CA 1.403 57.158 55.803 -0.080 0.000 0.846 408 Q CB 0.062 28.766 28.738 -0.058 0.000 0.902 408 Q HN 0.532 nan 8.270 nan 0.000 0.421 409 E N 0.723 120.896 120.200 -0.046 0.000 2.152 409 E HA 0.047 4.397 4.350 0.000 0.000 0.285 409 E C 0.087 176.757 176.600 0.116 0.000 1.043 409 E CA -0.223 56.194 56.400 0.028 0.000 0.839 409 E CB 1.119 30.847 29.700 0.047 0.000 1.069 409 E HN 0.166 nan 8.360 nan 0.000 0.399 410 K N 1.777 122.263 120.400 0.143 0.000 2.366 410 K HA -0.019 4.301 4.320 0.000 0.000 0.198 410 K C 0.037 176.812 176.600 0.292 0.000 1.044 410 K CA 0.846 57.282 56.287 0.249 0.000 0.973 410 K CB 0.305 32.880 32.500 0.125 0.000 0.767 410 K HN 0.408 nan 8.250 nan 0.000 0.475 411 E N 0.510 120.826 120.200 0.193 0.000 2.241 411 E HA 0.284 4.634 4.350 0.000 0.000 0.263 411 E C -1.073 175.601 176.600 0.123 0.000 0.882 411 E CA -0.489 55.974 56.400 0.103 0.000 0.769 411 E CB 1.814 31.535 29.700 0.035 0.000 1.185 411 E HN -0.042 nan 8.360 nan 0.000 0.415 412 K N 0.778 121.250 120.400 0.121 0.000 2.466 412 K HA 0.641 4.961 4.320 0.000 0.000 0.260 412 K C -0.907 175.740 176.600 0.079 0.000 1.011 412 K CA -0.939 55.429 56.287 0.135 0.000 0.871 412 K CB 2.178 34.825 32.500 0.245 0.000 1.404 412 K HN 0.528 nan 8.250 nan 0.000 0.450 413 S N 0.203 115.962 115.700 0.097 0.000 2.556 413 S HA 0.793 5.263 4.470 0.000 0.000 0.271 413 S C -1.025 173.673 174.600 0.162 0.000 1.135 413 S CA -0.918 57.313 58.200 0.051 0.000 0.858 413 S CB 0.934 64.105 63.200 -0.048 0.000 1.114 413 S HN 0.601 nan 8.310 nan 0.000 0.468 414 F N -1.125 118.816 119.950 -0.015 0.000 2.692 414 F HA 0.907 5.434 4.527 0.000 0.000 0.320 414 F C -0.904 174.895 175.800 -0.002 0.000 1.123 414 F CA -0.873 57.130 58.000 0.004 0.000 0.961 414 F CB 1.279 40.295 39.000 0.027 0.000 1.383 414 F HN 0.540 nan 8.300 nan 0.000 0.483 415 T N 2.232 116.899 114.554 0.187 0.000 2.841 415 T HA 0.613 4.963 4.350 0.000 0.000 0.283 415 T C -0.749 174.054 174.700 0.172 0.000 1.000 415 T CA -0.411 61.721 62.100 0.053 0.000 0.977 415 T CB 1.347 70.244 68.868 0.049 0.000 0.979 415 T HN 0.528 nan 8.240 nan 0.000 0.446 416 I N 3.287 123.908 120.570 0.086 0.000 2.354 416 I HA 0.458 4.628 4.170 0.000 0.000 0.286 416 I C -0.021 176.108 176.117 0.020 0.000 1.007 416 I CA -0.620 60.750 61.300 0.117 0.000 1.167 416 I CB 1.266 39.374 38.000 0.181 0.000 1.320 416 I HN 0.271 nan 8.210 nan 0.000 0.458 417 K N 8.319 128.710 120.400 -0.014 0.000 2.397 417 K HA 0.557 4.877 4.320 0.000 0.000 0.253 417 K C -2.774 173.750 176.600 -0.126 0.000 0.932 417 K CA -1.823 54.435 56.287 -0.048 0.000 0.795 417 K CB 2.493 34.991 32.500 -0.004 0.000 1.159 417 K HN 0.104 nan 8.250 nan 0.000 0.424 418 P HA 0.009 nan 4.420 nan 0.000 0.271 418 P C -0.624 176.600 177.300 -0.127 0.000 1.216 418 P CA -0.505 62.376 63.100 -0.365 0.000 0.776 418 P CB 0.714 31.819 31.700 -0.992 0.000 0.881 419 V N 3.524 123.388 119.914 -0.084 0.000 2.557 419 V HA 0.188 4.308 4.120 0.000 0.000 0.301 419 V C 1.757 177.934 176.094 0.137 0.000 1.026 419 V CA 2.059 64.363 62.300 0.007 0.000 1.137 419 V CB -0.518 31.288 31.823 -0.028 0.000 0.917 419 V HN 1.045 nan 8.190 nan 0.000 0.484 420 G N 4.373 113.240 108.800 0.111 0.000 2.205 420 G HA2 -0.267 3.693 3.960 0.000 0.000 0.261 420 G HA3 -0.267 3.693 3.960 0.000 0.000 0.261 420 G C -0.042 174.930 174.900 0.120 0.000 0.980 420 G CA -0.028 45.129 45.100 0.095 0.000 0.632 420 G HN 0.491 nan 8.290 nan 0.000 0.533 421 F N 0.238 120.143 119.950 -0.076 0.000 2.371 421 F HA 0.653 5.180 4.527 0.000 0.000 0.329 421 F C 1.400 177.172 175.800 -0.046 0.000 1.107 421 F CA -0.387 57.562 58.000 -0.086 0.000 1.137 421 F CB 1.497 40.446 39.000 -0.084 0.000 1.214 421 F HN -0.017 nan 8.300 nan 0.000 0.536 422 K N 0.557 121.010 120.400 0.089 0.000 2.044 422 K HA -0.035 4.285 4.320 0.000 0.000 0.204 422 K C -0.017 176.646 176.600 0.105 0.000 1.049 422 K CA 1.100 57.440 56.287 0.088 0.000 0.945 422 K CB -0.086 32.466 32.500 0.087 0.000 0.724 422 K HN 0.497 nan 8.250 nan 0.000 0.440 423 D N 0.169 120.651 120.400 0.137 0.000 2.329 423 D HA 0.162 4.802 4.640 0.000 0.000 0.246 423 D C -0.124 176.229 176.300 0.088 0.000 1.111 423 D CA 0.224 54.289 54.000 0.108 0.000 0.941 423 D CB 1.520 42.389 40.800 0.116 0.000 1.169 423 D HN 0.362 nan 8.370 nan 0.000 0.441 424 S N -0.220 115.505 115.700 0.041 0.000 2.643 424 S HA 0.510 4.980 4.470 0.000 0.000 0.270 424 S C -1.425 173.168 174.600 -0.012 0.000 1.166 424 S CA -1.031 57.175 58.200 0.010 0.000 0.815 424 S CB 1.338 64.543 63.200 0.007 0.000 1.139 424 S HN 0.247 nan 8.310 nan 0.000 0.472 425 L N 1.360 122.565 121.223 -0.030 0.000 2.280 425 L HA 0.654 4.994 4.340 0.000 0.000 0.287 425 L C -1.185 175.601 176.870 -0.139 0.000 1.023 425 L CA -0.740 54.058 54.840 -0.069 0.000 0.819 425 L CB 0.399 42.433 42.059 -0.041 0.000 1.212 425 L HN 0.755 nan 8.230 nan 0.000 0.420 426 I N 6.140 126.610 120.570 -0.167 0.000 2.312 426 I HA 0.265 4.435 4.170 0.000 0.000 0.291 426 I C -0.542 175.359 176.117 -0.360 0.000 1.031 426 I CA -0.625 60.538 61.300 -0.228 0.000 1.293 426 I CB 1.353 39.264 38.000 -0.148 0.000 1.403 426 I HN 0.298 nan 8.210 nan 0.000 0.484 427 V N 7.134 126.682 119.914 -0.610 0.000 2.350 427 V HA 0.202 4.322 4.120 0.000 0.000 0.276 427 V C 0.054 175.822 176.094 -0.543 0.000 1.028 427 V CA -0.646 61.203 62.300 -0.752 0.000 0.860 427 V CB 1.019 32.051 31.823 -1.319 0.000 0.990 427 V HN 0.670 nan 8.190 nan 0.000 0.453 428 Q N 3.943 123.533 119.800 -0.350 0.000 2.349 428 Q HA 0.478 4.818 4.340 0.000 0.000 0.254 428 Q C -0.829 175.038 176.000 -0.221 0.000 0.980 428 Q CA -0.441 55.228 55.803 -0.223 0.000 0.924 428 Q CB 1.953 30.590 28.738 -0.169 0.000 1.209 428 Q HN 0.601 nan 8.270 nan 0.000 0.445 429 V N 2.579 122.378 119.914 -0.190 0.000 2.439 429 V HA 0.347 4.467 4.120 0.000 0.000 0.282 429 V C 0.139 175.998 176.094 -0.392 0.000 1.039 429 V CA -0.472 61.642 62.300 -0.309 0.000 0.913 429 V CB 1.672 33.279 31.823 -0.360 0.000 0.983 429 V HN 0.703 nan 8.190 nan 0.000 0.460 430 T N 5.327 119.632 114.554 -0.415 0.000 2.786 430 T HA 0.566 4.917 4.350 0.000 0.000 0.283 430 T C -0.562 173.907 174.700 -0.385 0.000 0.992 430 T CA -0.108 61.808 62.100 -0.306 0.000 0.954 430 T CB 0.449 69.226 68.868 -0.152 0.000 0.934 430 T HN 0.303 nan 8.240 nan 0.000 0.440 431 F N 2.307 122.252 119.950 -0.009 0.000 2.424 431 F HA 0.276 4.803 4.527 0.000 0.000 0.356 431 F C 1.068 176.853 175.800 -0.024 0.000 1.110 431 F CA -0.709 57.284 58.000 -0.013 0.000 1.161 431 F CB 0.687 39.682 39.000 -0.009 0.000 1.115 431 F HN 0.404 nan 8.300 nan 0.000 0.507 432 D N 3.491 123.958 120.400 0.111 0.000 2.622 432 D HA 0.236 4.876 4.640 0.000 0.000 0.262 432 D C 0.095 176.415 176.300 0.033 0.000 1.189 432 D CA -0.062 53.961 54.000 0.037 0.000 0.985 432 D CB 0.300 41.091 40.800 -0.015 0.000 0.994 432 D HN 0.561 nan 8.370 nan 0.000 0.513 433 c N 0.459 119.084 118.600 0.042 0.000 2.912 433 c HA 0.280 4.850 4.570 0.000 0.000 0.274 433 c C 0.686 174.763 174.090 -0.022 0.000 1.248 433 c CA -0.611 55.725 56.329 0.012 0.000 1.694 433 c CB -0.141 42.376 42.510 0.012 0.000 2.024 433 c HN 0.352 nan 8.230 nan 0.000 0.605 434 D N 0.037 120.423 120.400 -0.022 0.000 2.268 434 D HA 0.368 5.008 4.640 0.000 0.000 0.249 434 D C -0.637 175.631 176.300 -0.053 0.000 1.008 434 D CA 0.054 54.026 54.000 -0.048 0.000 0.939 434 D CB 1.544 42.322 40.800 -0.036 0.000 1.170 434 D HN 0.208 nan 8.370 nan 0.000 0.468 435 c N 0.802 119.353 118.600 -0.081 0.000 2.370 435 c HA 0.479 5.049 4.570 0.000 0.000 0.354 435 c C 1.891 175.953 174.090 -0.048 0.000 1.218 435 c CA -0.525 55.762 56.329 -0.070 0.000 2.154 435 c CB 0.798 43.229 42.510 -0.131 0.000 2.391 435 c HN 0.786 nan 8.230 nan 0.000 0.540 436 A N 1.072 123.880 122.820 -0.020 0.000 1.972 436 A HA -0.176 4.144 4.320 0.000 0.000 0.219 436 A C 1.931 179.506 177.584 -0.016 0.000 1.169 436 A CA 2.227 54.257 52.037 -0.011 0.000 0.635 436 A CB -0.832 18.171 19.000 0.005 0.000 0.810 436 A HN 1.124 nan 8.150 nan 0.000 0.446 437 c N -1.331 117.256 118.600 -0.021 0.000 2.491 437 c HA 0.071 4.641 4.570 0.000 0.000 0.277 437 c C 2.210 176.264 174.090 -0.060 0.000 1.455 437 c CA 0.447 56.758 56.329 -0.031 0.000 1.758 437 c CB -1.771 40.729 42.510 -0.018 0.000 1.745 437 c HN 0.638 nan 8.230 nan 0.000 0.558 438 Q N 1.545 121.304 119.800 -0.069 0.000 2.224 438 Q HA -0.007 4.333 4.340 0.000 0.000 0.203 438 Q C 2.557 178.533 176.000 -0.041 0.000 0.970 438 Q CA 1.526 57.286 55.803 -0.071 0.000 0.865 438 Q CB -0.214 28.477 28.738 -0.077 0.000 0.922 438 Q HN 0.854 nan 8.270 nan 0.000 0.445 439 A N 0.490 123.294 122.820 -0.028 0.000 2.015 439 A HA -0.155 4.165 4.320 0.000 0.000 0.219 439 A C 1.707 179.287 177.584 -0.005 0.000 1.163 439 A CA 1.036 53.066 52.037 -0.013 0.000 0.646 439 A CB 0.024 19.020 19.000 -0.008 0.000 0.806 439 A HN 0.152 nan 8.150 nan 0.000 0.448 440 Q N -0.407 119.387 119.800 -0.010 0.000 2.280 440 Q HA 0.470 4.810 4.340 0.000 0.000 0.201 440 Q C 0.610 176.608 176.000 -0.003 0.000 0.890 440 Q CA 0.446 56.250 55.803 0.001 0.000 0.947 440 Q CB -0.098 28.642 28.738 0.003 0.000 1.081 440 Q HN 0.591 nan 8.270 nan 0.000 0.502 441 A N 1.059 123.867 122.820 -0.021 0.000 2.555 441 A HA 0.012 4.332 4.320 0.000 0.000 0.233 441 A C -0.081 177.524 177.584 0.036 0.000 1.060 441 A CA 0.238 52.264 52.037 -0.020 0.000 0.759 441 A CB 0.113 19.097 19.000 -0.027 0.000 0.995 441 A HN 0.270 nan 8.150 nan 0.000 0.506 442 E N 2.956 123.206 120.200 0.083 0.000 2.207 442 E HA 0.366 4.716 4.350 0.000 0.000 0.250 442 E C -2.598 174.079 176.600 0.129 0.000 0.890 442 E CA -2.211 54.266 56.400 0.129 0.000 0.749 442 E CB 1.363 31.192 29.700 0.214 0.000 1.193 442 E HN 0.536 nan 8.360 nan 0.000 0.423 443 P HA 0.106 nan 4.420 nan 0.000 0.276 443 P C -0.680 176.678 177.300 0.097 0.000 1.244 443 P CA -0.190 62.965 63.100 0.091 0.000 0.801 443 P CB 0.553 32.296 31.700 0.072 0.000 1.006 444 N N -2.214 116.545 118.700 0.097 0.000 2.727 444 N HA -0.160 4.580 4.740 0.000 0.000 0.249 444 N C -0.106 175.460 175.510 0.092 0.000 1.048 444 N CA 0.837 53.943 53.050 0.093 0.000 0.714 444 N CB -2.037 36.502 38.487 0.087 0.000 0.959 444 N HN 0.417 nan 8.380 nan 0.000 0.544 445 S N -0.670 115.085 115.700 0.092 0.000 2.548 445 S HA 0.107 4.577 4.470 0.000 0.000 0.277 445 S C 1.679 176.306 174.600 0.044 0.000 1.315 445 S CA -0.036 58.220 58.200 0.094 0.000 1.050 445 S CB 0.596 63.851 63.200 0.092 0.000 0.918 445 S HN 0.549 nan 8.310 nan 0.000 0.497 446 H N 3.938 122.988 119.070 -0.035 0.000 2.456 446 H HA 0.051 4.607 4.556 0.000 0.000 0.296 446 H C 1.707 176.976 175.328 -0.098 0.000 1.079 446 H CA 1.374 57.390 56.048 -0.054 0.000 1.322 446 H CB -0.032 29.701 29.762 -0.048 0.000 1.388 446 H HN 0.598 nan 8.280 nan 0.000 0.538 447 R N -0.139 119.882 120.500 -0.800 0.000 2.280 447 R HA 0.110 4.450 4.340 0.000 0.000 0.207 447 R C -0.155 175.921 176.300 -0.374 0.000 1.043 447 R CA 0.621 56.279 56.100 -0.736 0.000 1.006 447 R CB 0.223 29.927 30.300 -0.992 0.000 0.885 447 R HN 0.291 nan 8.270 nan 0.000 0.467 448 c N 1.975 120.443 118.600 -0.221 0.000 2.409 448 c HA 0.290 4.860 4.570 0.000 0.000 0.297 448 c C -0.084 173.944 174.090 -0.104 0.000 1.083 448 c CA -1.219 55.039 56.329 -0.118 0.000 1.515 448 c CB -0.379 42.106 42.510 -0.041 0.000 1.869 448 c HN 0.553 nan 8.230 nan 0.000 0.413 449 N N 2.627 121.262 118.700 -0.109 0.000 2.758 449 N HA -0.207 4.533 4.740 0.000 0.000 0.248 449 N C 0.353 175.819 175.510 -0.074 0.000 1.076 449 N CA 1.384 54.373 53.050 -0.102 0.000 0.696 449 N CB -1.487 36.912 38.487 -0.147 0.000 0.979 449 N HN 0.888 nan 8.380 nan 0.000 0.550 450 N N -1.554 117.114 118.700 -0.053 0.000 2.828 450 N HA -0.189 4.551 4.740 0.000 0.000 0.248 450 N C 0.707 176.224 175.510 0.013 0.000 1.044 450 N CA 2.657 55.700 53.050 -0.012 0.000 0.851 450 N CB -1.223 37.259 38.487 -0.009 0.000 1.136 450 N HN 1.307 nan 8.380 nan 0.000 0.572 451 G N -2.714 106.088 108.800 0.005 0.000 2.227 451 G HA2 -0.213 3.747 3.960 0.000 0.000 0.168 451 G HA3 -0.213 3.747 3.960 0.000 0.000 0.168 451 G C 0.727 175.652 174.900 0.042 0.000 1.006 451 G CA 0.287 45.409 45.100 0.038 0.000 0.684 451 G HN 0.348 nan 8.290 nan 0.000 0.489 452 N N 0.765 119.458 118.700 -0.011 0.000 2.220 452 N HA 0.201 4.941 4.740 0.000 0.000 0.182 452 N C 1.643 177.131 175.510 -0.036 0.000 1.023 452 N CA 1.474 54.505 53.050 -0.032 0.000 0.856 452 N CB -0.203 38.127 38.487 -0.261 0.000 0.997 452 N HN 0.647 nan 8.380 nan 0.000 0.429 453 G N -0.920 107.834 108.800 -0.077 0.000 2.568 453 G HA2 0.473 4.433 3.960 0.000 0.000 0.293 453 G HA3 0.473 4.433 3.960 0.000 0.000 0.293 453 G C -0.761 174.167 174.900 0.046 0.000 1.347 453 G CA -0.266 44.812 45.100 -0.037 0.000 1.039 453 G HN 0.009 nan 8.290 nan 0.000 0.523 454 T N 0.218 114.814 114.554 0.069 0.000 2.797 454 T HA 0.374 4.724 4.350 0.000 0.000 0.279 454 T C -1.292 173.508 174.700 0.166 0.000 0.991 454 T CA -0.129 62.034 62.100 0.105 0.000 0.979 454 T CB 1.357 70.269 68.868 0.074 0.000 0.943 454 T HN 0.280 nan 8.240 nan 0.000 0.444 455 F N 4.692 124.647 119.950 0.009 0.000 2.335 455 F HA 0.397 4.924 4.527 0.000 0.000 0.365 455 F C 0.328 176.143 175.800 0.025 0.000 1.122 455 F CA -1.458 56.549 58.000 0.012 0.000 1.151 455 F CB 0.183 39.186 39.000 0.005 0.000 1.282 455 F HN 0.594 nan 8.300 nan 0.000 0.513 456 E N 4.604 124.643 120.200 -0.269 0.000 2.241 456 E HA 0.411 4.761 4.350 0.000 0.000 0.263 456 E C -0.388 176.024 176.600 -0.314 0.000 0.882 456 E CA -0.841 55.391 56.400 -0.279 0.000 0.769 456 E CB 0.998 30.615 29.700 -0.139 0.000 1.185 456 E HN 0.673 nan 8.360 nan 0.000 0.415 457 c N 3.741 122.163 118.600 -0.297 0.000 4.454 457 c HA -0.101 4.469 4.570 0.000 0.000 0.301 457 c C 1.480 175.611 174.090 0.069 0.000 1.366 457 c CA 0.825 57.115 56.329 -0.066 0.000 2.016 457 c CB -2.290 40.183 42.510 -0.062 0.000 1.253 457 c HN 1.419 nan 8.230 nan 0.000 0.770 458 G N -2.266 106.341 108.800 -0.322 0.000 2.176 458 G HA2 -0.094 3.866 3.960 0.000 0.000 0.253 458 G HA3 -0.094 3.866 3.960 0.000 0.000 0.253 458 G C -0.008 174.986 174.900 0.156 0.000 0.979 458 G CA 0.486 45.531 45.100 -0.091 0.000 0.641 458 G HN 1.446 nan 8.290 nan 0.000 0.530 459 V N -0.255 119.712 119.914 0.088 0.000 3.102 459 V HA 0.659 4.779 4.120 0.000 0.000 0.312 459 V C 0.069 176.316 176.094 0.255 0.000 1.135 459 V CA -0.547 61.903 62.300 0.251 0.000 1.022 459 V CB 2.284 34.282 31.823 0.292 0.000 1.056 459 V HN 0.390 nan 8.190 nan 0.000 0.436 460 c N 4.044 122.781 118.600 0.228 0.000 2.307 460 c HA 0.650 5.221 4.570 0.000 0.000 0.340 460 c C 0.134 174.272 174.090 0.080 0.000 1.275 460 c CA -0.920 55.511 56.329 0.169 0.000 1.811 460 c CB -0.022 42.546 42.510 0.096 0.000 2.372 460 c HN 0.673 nan 8.230 nan 0.000 0.531 461 R N 1.784 122.317 120.500 0.056 0.000 2.664 461 R HA 0.381 4.721 4.340 0.000 0.000 0.286 461 R C -0.619 175.684 176.300 0.005 0.000 0.967 461 R CA -0.509 55.605 56.100 0.023 0.000 0.933 461 R CB 1.218 31.526 30.300 0.013 0.000 1.146 461 R HN 0.714 nan 8.270 nan 0.000 0.468 462 C N 2.065 121.362 119.300 -0.005 0.000 2.634 462 C HA 0.226 4.686 4.460 0.000 0.000 0.418 462 C C 1.533 176.575 174.990 0.088 0.000 1.373 462 C CA 0.169 59.178 59.018 -0.015 0.000 1.756 462 C CB -0.273 27.479 27.740 0.020 0.000 2.589 462 C HN 0.815 nan 8.230 nan 0.000 0.602 463 G N 4.907 113.803 108.800 0.161 0.000 2.621 463 G HA2 0.471 4.431 3.960 0.000 0.000 0.271 463 G HA3 0.471 4.431 3.960 0.000 0.000 0.271 463 G C -2.639 172.463 174.900 0.337 0.000 1.236 463 G CA -0.591 44.666 45.100 0.261 0.000 0.958 463 G HN 0.570 nan 8.290 nan 0.000 0.512 464 P HA 0.278 nan 4.420 nan 0.000 0.268 464 P C 0.728 178.048 177.300 0.032 0.000 1.204 464 P CA 1.119 64.281 63.100 0.103 0.000 0.768 464 P CB 1.089 32.821 31.700 0.053 0.000 0.842 465 G N 0.520 109.307 108.800 -0.022 0.000 2.175 465 G HA2 -0.201 3.759 3.960 0.000 0.000 0.244 465 G HA3 -0.201 3.759 3.960 0.000 0.000 0.244 465 G C -0.542 174.189 174.900 -0.280 0.000 0.982 465 G CA -0.674 44.321 45.100 -0.175 0.000 0.641 465 G HN 0.402 nan 8.290 nan 0.000 0.527 466 W N 0.609 121.911 121.300 0.004 0.000 2.438 466 W HA 0.761 5.421 4.660 0.000 0.000 0.324 466 W C 1.294 177.815 176.519 0.003 0.000 1.119 466 W CA -0.649 56.699 57.345 0.005 0.000 1.221 466 W CB 0.546 30.011 29.460 0.007 0.000 1.253 466 W HN 0.334 nan 8.180 nan 0.000 0.555 467 L N 0.000 121.381 121.223 0.263 0.000 2.949 467 L HA 0.000 4.340 4.340 0.000 0.000 0.249 467 L CA 0.000 54.928 54.840 0.147 0.000 0.813 467 L CB 0.000 42.138 42.059 0.131 0.000 0.961 467 L HN 0.000 nan 8.230 nan 0.000 0.502