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 1upc_1_C DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGMTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP MSKYAVELQR PHEITDLVDS AVNAAMTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDX XXXNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY MDGILNFPAL QTMFAPVDLV LTVGYDYAED LRPSMWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG MRVHQVIDSM NTVMEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQMA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DFQPGGFGAL S 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.350 177.300 0.083 0.000 1.155 12 P CA 0.000 63.121 63.100 0.035 0.000 0.800 12 P CB 0.000 31.726 31.700 0.044 0.000 0.726 13 T N 0.168 114.782 114.554 0.100 0.000 2.940 13 T HA 0.631 4.982 4.350 0.001 0.000 0.288 13 T C 1.363 176.109 174.700 0.077 0.000 1.045 13 T CA 0.300 62.440 62.100 0.067 0.000 1.018 13 T CB 1.780 70.666 68.868 0.029 0.000 1.151 13 T HN 0.341 nan 8.240 nan 0.000 0.529 14 A N 0.948 123.799 122.820 0.052 0.000 2.024 14 A HA 0.063 4.384 4.320 0.001 0.000 0.220 14 A C 2.376 179.985 177.584 0.041 0.000 1.164 14 A CA 2.162 54.225 52.037 0.043 0.000 0.643 14 A CB -1.036 17.986 19.000 0.037 0.000 0.806 14 A HN 0.893 nan 8.150 nan 0.000 0.451 15 A N -0.784 122.056 122.820 0.033 0.000 1.877 15 A HA -0.179 4.142 4.320 0.001 0.000 0.216 15 A C 2.047 179.647 177.584 0.026 0.000 1.186 15 A CA 2.087 54.124 52.037 0.001 0.000 0.620 15 A CB -0.883 18.072 19.000 -0.076 0.000 0.822 15 A HN 0.729 nan 8.150 nan 0.000 0.443 16 H N 0.346 119.386 119.070 -0.050 0.000 2.352 16 H HA -0.012 4.545 4.556 0.001 0.000 0.299 16 H C 2.087 177.416 175.328 0.000 0.000 1.097 16 H CA 1.918 57.947 56.048 -0.032 0.000 1.311 16 H CB -0.430 29.316 29.762 -0.026 0.000 1.377 16 H HN 0.365 nan 8.280 nan 0.000 0.504 17 A N 0.218 122.973 122.820 -0.108 0.000 2.015 17 A HA -0.033 4.288 4.320 0.001 0.000 0.219 17 A C 2.399 179.944 177.584 -0.064 0.000 1.163 17 A CA 1.379 53.325 52.037 -0.151 0.000 0.646 17 A CB -0.688 18.279 19.000 -0.055 0.000 0.806 17 A HN 0.477 nan 8.150 nan 0.000 0.448 18 L N -0.488 120.735 121.223 0.000 0.000 2.049 18 L HA 0.048 4.388 4.340 0.001 0.000 0.203 18 L C 2.200 179.119 176.870 0.080 0.000 1.074 18 L CA 1.534 56.409 54.840 0.059 0.000 0.749 18 L CB -0.654 41.472 42.059 0.111 0.000 0.907 18 L HN 0.337 nan 8.230 nan 0.000 0.439 19 L N -0.513 120.755 121.223 0.075 0.000 2.012 19 L HA -0.240 4.101 4.340 0.001 0.000 0.210 19 L C 2.799 179.706 176.870 0.062 0.000 1.073 19 L CA 1.749 56.646 54.840 0.095 0.000 0.748 19 L CB -0.864 41.245 42.059 0.082 0.000 0.891 19 L HN 0.514 nan 8.230 nan 0.000 0.431 20 S N -0.240 115.453 115.700 -0.011 0.000 2.383 20 S HA -0.256 4.215 4.470 0.001 0.000 0.229 20 S C 2.160 176.755 174.600 -0.009 0.000 1.030 20 S CA 1.586 59.754 58.200 -0.054 0.000 1.002 20 S CB -0.128 62.921 63.200 -0.251 0.000 0.829 20 S HN 0.259 nan 8.310 nan 0.000 0.467 21 R N 0.685 121.195 120.500 0.017 0.000 2.153 21 R HA 0.304 4.645 4.340 0.001 0.000 0.218 21 R C 2.174 178.575 176.300 0.168 0.000 1.072 21 R CA 0.965 57.111 56.100 0.077 0.000 0.990 21 R CB -0.758 29.595 30.300 0.087 0.000 0.889 21 R HN 0.497 nan 8.270 nan 0.000 0.452 22 L N -0.316 120.989 121.223 0.137 0.000 2.046 22 L HA -0.156 4.185 4.340 0.001 0.000 0.208 22 L C 2.900 179.851 176.870 0.134 0.000 1.077 22 L CA 1.878 56.809 54.840 0.151 0.000 0.747 22 L CB -0.671 41.472 42.059 0.139 0.000 0.896 22 L HN 0.290 nan 8.230 nan 0.000 0.432 23 R N 0.052 120.606 120.500 0.091 0.000 2.105 23 R HA -0.208 4.133 4.340 0.001 0.000 0.239 23 R C 1.734 178.059 176.300 0.041 0.000 1.135 23 R CA 2.052 58.189 56.100 0.062 0.000 0.967 23 R CB -1.556 28.772 30.300 0.047 0.000 0.861 23 R HN 0.374 nan 8.270 nan 0.000 0.442 24 D N -0.209 120.202 120.400 0.018 0.000 2.263 24 D HA -0.094 4.547 4.640 0.001 0.000 0.208 24 D C 0.910 177.132 176.300 -0.129 0.000 0.971 24 D CA 0.944 54.903 54.000 -0.069 0.000 0.867 24 D CB -0.153 40.571 40.800 -0.127 0.000 0.929 24 D HN 0.661 nan 8.370 nan 0.000 0.492 25 H N -1.063 118.014 119.070 0.012 0.000 2.505 25 H HA 0.289 4.846 4.556 0.003 0.000 0.289 25 H C 1.367 176.706 175.328 0.018 0.000 1.052 25 H CA 0.625 56.681 56.048 0.013 0.000 1.156 25 H CB 0.698 30.468 29.762 0.013 0.000 1.507 25 H HN 0.180 nan 8.280 nan 0.000 0.548 26 G N 0.851 109.708 108.800 0.096 0.000 2.176 26 G HA2 -0.291 3.670 3.960 0.001 0.000 0.253 26 G HA3 -0.291 3.670 3.960 0.001 0.000 0.253 26 G C 0.360 175.301 174.900 0.069 0.000 0.979 26 G CA 0.304 45.446 45.100 0.070 0.000 0.641 26 G HN 0.211 nan 8.290 nan 0.000 0.530 27 V N 0.890 120.855 119.914 0.086 0.000 2.508 27 V HA 0.556 4.676 4.120 0.001 0.000 0.281 27 V C 1.534 177.656 176.094 0.048 0.000 1.041 27 V CA 1.063 63.406 62.300 0.072 0.000 1.016 27 V CB 1.310 33.187 31.823 0.089 0.000 0.984 27 V HN 0.652 nan 8.190 nan 0.000 0.478 28 G N 4.302 113.115 108.800 0.021 0.000 2.944 28 G HA2 0.196 4.157 3.960 0.001 0.000 0.223 28 G HA3 0.196 4.157 3.960 0.001 0.000 0.223 28 G C 0.413 175.274 174.900 -0.064 0.000 1.071 28 G CA -0.138 44.958 45.100 -0.006 0.000 0.806 28 G HN 0.502 nan 8.290 nan 0.000 0.538 29 K N 0.711 121.045 120.400 -0.111 0.000 2.468 29 K HA 0.566 4.887 4.320 0.001 0.000 0.252 29 K C -1.620 174.799 176.600 -0.302 0.000 0.932 29 K CA -0.580 55.520 56.287 -0.311 0.000 0.794 29 K CB 3.086 35.263 32.500 -0.540 0.000 1.241 29 K HN -0.119 nan 8.250 nan 0.000 0.428 30 V N 3.807 123.491 119.914 -0.383 0.000 2.378 30 V HA 0.408 4.529 4.120 0.001 0.000 0.288 30 V C -0.730 174.951 176.094 -0.690 0.000 1.016 30 V CA -0.792 61.335 62.300 -0.288 0.000 0.840 30 V CB 0.491 32.278 31.823 -0.059 0.000 0.994 30 V HN 0.520 nan 8.190 nan 0.000 0.431 31 F N 3.344 123.080 119.950 -0.357 0.000 2.404 31 F HA 0.825 5.353 4.527 0.002 0.000 0.345 31 F C 0.975 176.540 175.800 -0.391 0.000 1.110 31 F CA 0.343 58.069 58.000 -0.457 0.000 1.130 31 F CB 1.744 40.599 39.000 -0.242 0.000 1.129 31 F HN 0.688 nan 8.300 nan 0.000 0.500 32 G N 1.129 109.713 108.800 -0.359 0.000 2.348 32 G HA2 0.498 4.459 3.960 0.001 0.000 0.296 32 G HA3 0.498 4.459 3.960 0.001 0.000 0.296 32 G C -2.266 172.799 174.900 0.275 0.000 1.258 32 G CA -0.711 44.451 45.100 0.103 0.000 0.868 32 G HN 0.434 nan 8.290 nan 0.000 0.488 33 V N 0.168 120.321 119.914 0.397 0.000 2.638 33 V HA 0.621 4.742 4.120 0.001 0.000 0.306 33 V C -0.184 176.133 176.094 0.371 0.000 1.052 33 V CA -0.719 61.778 62.300 0.329 0.000 0.885 33 V CB 1.527 33.458 31.823 0.180 0.000 0.999 33 V HN 0.701 nan 8.190 nan 0.000 0.424 34 V N 3.745 123.781 119.914 0.203 0.000 2.439 34 V HA 0.778 4.899 4.120 0.001 0.000 0.282 34 V C 0.864 177.045 176.094 0.144 0.000 1.039 34 V CA 0.243 62.631 62.300 0.147 0.000 0.913 34 V CB 1.234 32.952 31.823 -0.176 0.000 0.983 34 V HN 0.990 nan 8.190 nan 0.000 0.460 35 G N 3.630 112.551 108.800 0.200 0.000 2.782 35 G HA2 0.321 4.281 3.960 0.001 0.000 0.201 35 G HA3 0.321 4.281 3.960 0.001 0.000 0.201 35 G C 0.824 175.791 174.900 0.111 0.000 1.374 35 G CA -0.277 44.903 45.100 0.132 0.000 1.039 35 G HN 0.765 nan 8.290 nan 0.000 0.576 36 R N -0.005 120.551 120.500 0.093 0.000 2.293 36 R HA -0.042 4.298 4.340 0.001 0.000 0.219 36 R C 1.626 177.972 176.300 0.076 0.000 1.091 36 R CA 1.782 57.926 56.100 0.073 0.000 1.004 36 R CB -0.274 30.069 30.300 0.070 0.000 0.865 36 R HN 0.561 nan 8.270 nan 0.000 0.469 37 E N 1.595 121.865 120.200 0.116 0.000 2.463 37 E HA -0.141 4.210 4.350 0.001 0.000 0.201 37 E C 1.498 178.147 176.600 0.082 0.000 1.045 37 E CA 1.089 57.568 56.400 0.132 0.000 0.872 37 E CB -0.045 29.801 29.700 0.244 0.000 0.797 37 E HN 0.496 nan 8.360 nan 0.000 0.538 38 A N 1.683 124.533 122.820 0.050 0.000 2.024 38 A HA -0.031 4.290 4.320 0.001 0.000 0.220 38 A C 2.472 180.031 177.584 -0.042 0.000 1.164 38 A CA 1.819 53.841 52.037 -0.024 0.000 0.643 38 A CB -0.616 18.372 19.000 -0.019 0.000 0.806 38 A HN 0.441 nan 8.150 nan 0.000 0.451 39 A N -1.109 121.705 122.820 -0.011 0.000 2.067 39 A HA 0.016 4.337 4.320 0.001 0.000 0.219 39 A C 2.250 179.818 177.584 -0.027 0.000 1.158 39 A CA 1.905 53.933 52.037 -0.015 0.000 0.661 39 A CB -0.371 18.633 19.000 0.006 0.000 0.801 39 A HN 0.435 nan 8.150 nan 0.000 0.452 40 S N -1.863 113.820 115.700 -0.028 0.000 2.497 40 S HA 0.396 4.867 4.470 0.001 0.000 0.218 40 S C 0.294 174.831 174.600 -0.105 0.000 1.023 40 S CA -0.010 58.169 58.200 -0.036 0.000 0.913 40 S CB 0.148 63.352 63.200 0.007 0.000 0.800 40 S HN 0.493 nan 8.310 nan 0.000 0.505 41 I N 0.956 121.414 120.570 -0.187 0.000 2.586 41 I HA 0.315 4.486 4.170 0.001 0.000 0.288 41 I C -0.285 175.526 176.117 -0.510 0.000 1.147 41 I CA -0.456 60.590 61.300 -0.422 0.000 1.047 41 I CB 1.461 39.084 38.000 -0.627 0.000 1.244 41 I HN 0.040 nan 8.210 nan 0.000 0.429 42 L N 6.749 127.705 121.223 -0.445 0.000 2.253 42 L HA 0.238 4.579 4.340 0.001 0.000 0.205 42 L C 0.339 177.092 176.870 -0.195 0.000 1.078 42 L CA 0.823 55.506 54.840 -0.261 0.000 0.805 42 L CB 0.129 42.094 42.059 -0.156 0.000 0.963 42 L HN 0.840 nan 8.230 nan 0.000 0.459 43 F N -0.679 119.134 119.950 -0.229 0.000 2.271 43 F HA -0.210 4.318 4.527 0.001 0.000 0.353 43 F C 0.715 176.458 175.800 -0.095 0.000 0.587 43 F CA 0.584 58.467 58.000 -0.195 0.000 1.803 43 F CB -1.692 37.136 39.000 -0.287 0.000 2.380 43 F HN 0.334 nan 8.300 nan 0.000 0.271 44 D N -0.318 120.084 120.400 0.002 0.000 2.424 44 D HA 0.170 4.811 4.640 0.001 0.000 0.220 44 D C 1.191 177.475 176.300 -0.026 0.000 1.150 44 D CA 0.305 54.306 54.000 0.002 0.000 0.831 44 D CB -0.006 40.785 40.800 -0.014 0.000 0.981 44 D HN 0.323 nan 8.370 nan 0.000 0.500 45 E N -0.418 119.757 120.200 -0.042 0.000 2.358 45 E HA 0.099 4.450 4.350 0.001 0.000 0.195 45 E C -0.090 176.518 176.600 0.014 0.000 1.010 45 E CA 0.465 56.833 56.400 -0.053 0.000 0.856 45 E CB 0.578 30.254 29.700 -0.040 0.000 0.795 45 E HN 0.113 nan 8.360 nan 0.000 0.504 46 V N 1.099 121.052 119.914 0.065 0.000 2.524 46 V HA 0.367 4.488 4.120 0.001 0.000 0.297 46 V C -0.181 175.950 176.094 0.062 0.000 1.035 46 V CA -0.647 61.714 62.300 0.102 0.000 0.867 46 V CB 1.148 33.054 31.823 0.138 0.000 1.004 46 V HN 0.154 nan 8.190 nan 0.000 0.426 47 E N 2.121 122.349 120.200 0.047 0.000 2.414 47 E HA 0.443 4.794 4.350 0.001 0.000 0.263 47 E C 1.403 178.024 176.600 0.035 0.000 1.000 47 E CA 0.523 56.942 56.400 0.032 0.000 0.914 47 E CB 0.480 30.193 29.700 0.022 0.000 0.948 47 E HN 2.225 nan 8.360 nan 0.000 0.444 48 G N 0.977 109.793 108.800 0.026 0.000 2.176 48 G HA2 -0.193 3.768 3.960 0.001 0.000 0.232 48 G HA3 -0.193 3.768 3.960 0.001 0.000 0.232 48 G C 0.352 175.266 174.900 0.023 0.000 0.986 48 G CA 0.176 45.289 45.100 0.022 0.000 0.643 48 G HN 1.203 nan 8.290 nan 0.000 0.522 49 I N 2.045 122.636 120.570 0.035 0.000 2.439 49 I HA 0.458 4.629 4.170 0.001 0.000 0.285 49 I C -1.249 174.893 176.117 0.041 0.000 1.021 49 I CA -0.941 60.382 61.300 0.038 0.000 1.091 49 I CB 1.098 39.142 38.000 0.073 0.000 1.242 49 I HN 0.014 nan 8.210 nan 0.000 0.439 50 D N 6.865 127.258 120.400 -0.013 0.000 2.228 50 D HA 0.263 4.904 4.640 0.001 0.000 0.247 50 D C -0.970 175.280 176.300 -0.083 0.000 0.995 50 D CA -0.181 53.805 54.000 -0.023 0.000 0.903 50 D CB 2.302 43.060 40.800 -0.070 0.000 1.205 50 D HN 0.225 nan 8.370 nan 0.000 0.459 51 F N 0.973 120.795 119.950 -0.214 0.000 2.404 51 F HA 0.308 4.836 4.527 0.001 0.000 0.339 51 F C -0.377 175.237 175.800 -0.310 0.000 1.105 51 F CA -0.524 57.255 58.000 -0.368 0.000 1.087 51 F CB 1.123 39.817 39.000 -0.510 0.000 1.143 51 F HN -0.033 nan 8.300 nan 0.000 0.491 52 V N 7.712 127.050 119.914 -0.961 0.000 2.304 52 V HA 0.221 4.342 4.120 0.001 0.000 0.278 52 V C -0.554 175.214 176.094 -0.544 0.000 1.018 52 V CA -0.831 61.109 62.300 -0.600 0.000 0.814 52 V CB 0.938 32.342 31.823 -0.699 0.000 1.021 52 V HN 0.584 nan 8.190 nan 0.000 0.440 53 L N 6.430 127.557 121.223 -0.160 0.000 2.360 53 L HA 0.572 4.913 4.340 0.001 0.000 0.276 53 L C 0.787 177.675 176.870 0.030 0.000 1.121 53 L CA 0.960 55.832 54.840 0.054 0.000 0.845 53 L CB 1.199 43.361 42.059 0.170 0.000 1.143 53 L HN 0.870 nan 8.230 nan 0.000 0.452 54 T N 2.023 116.611 114.554 0.058 0.000 2.889 54 T HA 0.526 4.877 4.350 0.001 0.000 0.278 54 T C 0.956 175.703 174.700 0.078 0.000 0.995 54 T CA -0.741 61.396 62.100 0.061 0.000 0.966 54 T CB 1.183 70.086 68.868 0.059 0.000 1.237 54 T HN 0.481 nan 8.240 nan 0.000 0.591 55 R N -0.385 120.162 120.500 0.078 0.000 2.223 55 R HA 0.280 4.621 4.340 0.001 0.000 0.198 55 R C 0.324 176.701 176.300 0.128 0.000 0.984 55 R CA 0.448 56.597 56.100 0.082 0.000 1.018 55 R CB -0.615 29.719 30.300 0.057 0.000 0.945 55 R HN 0.787 nan 8.270 nan 0.000 0.479 56 H N -0.604 118.492 119.070 0.044 0.000 3.046 56 H HA 0.172 4.729 4.556 0.001 0.000 0.363 56 H C -0.209 175.172 175.328 0.089 0.000 1.203 56 H CA -0.245 55.842 56.048 0.066 0.000 1.169 56 H CB 1.812 31.613 29.762 0.065 0.000 1.851 56 H HN -0.225 nan 8.280 nan 0.000 0.546 57 E N 2.639 122.918 120.200 0.132 0.000 2.204 57 E HA -0.087 4.264 4.350 0.001 0.000 0.194 57 E C 1.521 178.287 176.600 0.277 0.000 0.989 57 E CA 0.910 57.417 56.400 0.178 0.000 0.824 57 E CB -0.036 29.719 29.700 0.093 0.000 0.756 57 E HN 0.452 nan 8.360 nan 0.000 0.477 58 F N 1.128 121.283 119.950 0.343 0.000 2.134 58 F HA -0.213 4.316 4.527 0.002 0.000 0.299 58 F C 1.981 177.799 175.800 0.031 0.000 1.097 58 F CA 1.544 59.630 58.000 0.144 0.000 1.264 58 F CB -0.583 38.445 39.000 0.047 0.000 1.001 58 F HN -0.099 nan 8.300 nan 0.000 0.479 59 T N 0.951 115.446 114.554 -0.099 0.000 2.708 59 T HA -0.178 4.173 4.350 0.001 0.000 0.266 59 T C 2.248 176.774 174.700 -0.291 0.000 1.037 59 T CA 1.537 63.470 62.100 -0.278 0.000 1.146 59 T CB -0.914 67.910 68.868 -0.073 0.000 0.865 59 T HN 0.406 nan 8.240 nan 0.000 0.435 60 A N 1.529 124.277 122.820 -0.119 0.000 1.859 60 A HA -0.020 4.301 4.320 0.001 0.000 0.217 60 A C 2.653 180.121 177.584 -0.193 0.000 1.198 60 A CA 2.184 54.167 52.037 -0.091 0.000 0.629 60 A CB -1.529 17.504 19.000 0.054 0.000 0.830 60 A HN 0.521 nan 8.150 nan 0.000 0.446 61 G N -1.060 107.659 108.800 -0.135 0.000 2.440 61 G HA2 -0.111 3.850 3.960 0.001 0.000 0.218 61 G HA3 -0.111 3.850 3.960 0.001 0.000 0.218 61 G C 1.494 176.241 174.900 -0.255 0.000 1.154 61 G CA 1.333 46.355 45.100 -0.131 0.000 0.767 61 G HN 0.371 nan 8.290 nan 0.000 0.552 62 V N 1.278 120.937 119.914 -0.425 0.000 2.453 62 V HA -0.024 4.097 4.120 0.001 0.000 0.247 62 V C 3.273 179.070 176.094 -0.494 0.000 1.048 62 V CA 1.740 63.757 62.300 -0.470 0.000 1.049 62 V CB -0.584 30.802 31.823 -0.730 0.000 0.672 62 V HN 0.466 nan 8.190 nan 0.000 0.457 63 A N 0.113 122.570 122.820 -0.605 0.000 1.933 63 A HA -0.116 4.205 4.320 0.001 0.000 0.218 63 A C 2.391 179.487 177.584 -0.813 0.000 1.175 63 A CA 2.059 53.627 52.037 -0.781 0.000 0.628 63 A CB -0.629 17.710 19.000 -1.101 0.000 0.814 63 A HN 0.554 nan 8.150 nan 0.000 0.444 64 A N 0.058 122.479 122.820 -0.666 0.000 1.897 64 A HA -0.171 4.150 4.320 0.001 0.000 0.215 64 A C 1.958 179.424 177.584 -0.197 0.000 1.181 64 A CA 1.737 53.581 52.037 -0.321 0.000 0.620 64 A CB -0.543 18.400 19.000 -0.095 0.000 0.821 64 A HN 0.658 nan 8.150 nan 0.000 0.443 65 D N 0.106 120.385 120.400 -0.203 0.000 2.117 65 D HA -0.130 4.511 4.640 0.001 0.000 0.197 65 D C 1.852 178.054 176.300 -0.162 0.000 0.987 65 D CA 1.922 55.839 54.000 -0.139 0.000 0.829 65 D CB -0.064 40.673 40.800 -0.104 0.000 0.961 65 D HN 0.216 nan 8.370 nan 0.000 0.460 66 V N 0.967 120.748 119.914 -0.222 0.000 2.379 66 V HA -0.173 3.947 4.120 0.001 0.000 0.245 66 V C 2.637 178.618 176.094 -0.190 0.000 1.044 66 V CA 0.958 63.124 62.300 -0.223 0.000 1.036 66 V CB -0.482 31.179 31.823 -0.270 0.000 0.664 66 V HN 0.204 nan 8.190 nan 0.000 0.453 67 L N 0.951 122.067 121.223 -0.178 0.000 2.127 67 L HA -0.104 4.237 4.340 0.001 0.000 0.211 67 L C 2.307 179.144 176.870 -0.055 0.000 1.089 67 L CA 2.322 57.110 54.840 -0.085 0.000 0.757 67 L CB -0.821 41.227 42.059 -0.018 0.000 0.899 67 L HN 0.247 nan 8.230 nan 0.000 0.434 68 A N -0.802 121.973 122.820 -0.074 0.000 1.975 68 A HA -0.122 4.199 4.320 0.001 0.000 0.215 68 A C 2.489 180.031 177.584 -0.069 0.000 1.170 68 A CA 1.117 53.127 52.037 -0.046 0.000 0.656 68 A CB -0.478 18.499 19.000 -0.039 0.000 0.821 68 A HN 0.480 nan 8.150 nan 0.000 0.449 69 R N -0.059 120.352 120.500 -0.149 0.000 2.066 69 R HA -0.019 4.322 4.340 0.001 0.000 0.232 69 R C 1.797 177.962 176.300 -0.225 0.000 1.131 69 R CA 1.738 57.682 56.100 -0.260 0.000 0.955 69 R CB -0.373 29.643 30.300 -0.473 0.000 0.851 69 R HN 0.481 nan 8.270 nan 0.000 0.432 70 I N 0.753 121.215 120.570 -0.180 0.000 2.252 70 I HA -0.212 3.959 4.170 0.001 0.000 0.245 70 I C 2.323 178.485 176.117 0.074 0.000 1.102 70 I CA 1.755 63.054 61.300 -0.001 0.000 1.385 70 I CB -0.339 37.663 38.000 0.004 0.000 1.064 70 I HN 0.411 nan 8.210 nan 0.000 0.414 71 T N -1.767 112.806 114.554 0.032 0.000 3.055 71 T HA 0.096 4.447 4.350 0.001 0.000 0.265 71 T C 1.699 176.432 174.700 0.056 0.000 1.111 71 T CA 0.551 62.680 62.100 0.048 0.000 1.118 71 T CB -0.170 68.720 68.868 0.037 0.000 0.909 71 T HN 0.535 nan 8.240 nan 0.000 0.501 72 G N 1.607 110.440 108.800 0.055 0.000 2.187 72 G HA2 -0.293 3.668 3.960 0.001 0.000 0.261 72 G HA3 -0.293 3.668 3.960 0.001 0.000 0.261 72 G C 0.100 175.024 174.900 0.041 0.000 1.000 72 G CA 0.345 45.479 45.100 0.056 0.000 0.718 72 G HN 0.703 nan 8.290 nan 0.000 0.519 73 R N -0.098 120.423 120.500 0.035 0.000 2.740 73 R HA 0.462 4.803 4.340 0.001 0.000 0.282 73 R C -2.724 173.595 176.300 0.032 0.000 0.969 73 R CA -2.208 53.916 56.100 0.039 0.000 0.918 73 R CB 1.793 32.121 30.300 0.047 0.000 1.175 73 R HN -0.017 nan 8.270 nan 0.000 0.464 74 P HA -0.025 nan 4.420 nan 0.000 0.266 74 P C -0.804 176.520 177.300 0.040 0.000 1.195 74 P CA 0.158 63.269 63.100 0.019 0.000 0.768 74 P CB 0.707 32.404 31.700 -0.006 0.000 0.838 75 Q N 0.834 120.660 119.800 0.043 0.000 2.552 75 Q HA 0.827 5.168 4.340 0.001 0.000 0.289 75 Q C -0.918 175.140 176.000 0.097 0.000 1.097 75 Q CA -0.959 54.893 55.803 0.082 0.000 0.812 75 Q CB 2.405 31.197 28.738 0.088 0.000 1.460 75 Q HN 0.432 nan 8.270 nan 0.000 0.452 76 A N 0.294 123.205 122.820 0.151 0.000 2.422 76 A HA 0.779 5.100 4.320 0.001 0.000 0.302 76 A C -0.426 177.290 177.584 0.220 0.000 1.041 76 A CA -0.545 51.593 52.037 0.168 0.000 0.708 76 A CB 0.657 19.760 19.000 0.172 0.000 1.257 76 A HN 0.819 nan 8.150 nan 0.000 0.414 77 C N -0.035 119.390 119.300 0.208 0.000 2.913 77 C HA 0.976 5.437 4.460 0.001 0.000 0.322 77 C C -0.892 174.286 174.990 0.313 0.000 1.292 77 C CA -0.997 58.160 59.018 0.231 0.000 1.649 77 C CB 1.413 29.239 27.740 0.144 0.000 2.139 77 C HN 1.015 nan 8.230 nan 0.000 0.475 78 W N 0.983 122.363 121.300 0.132 0.000 3.274 78 W HA 0.644 5.305 4.660 0.002 0.000 0.327 78 W C -1.092 175.542 176.519 0.191 0.000 1.172 78 W CA -0.110 57.355 57.345 0.199 0.000 1.217 78 W CB 2.167 31.806 29.460 0.298 0.000 1.376 78 W HN 1.293 nan 8.180 nan 0.000 0.507 79 A N 2.640 125.401 122.820 -0.099 0.000 2.587 79 A HA 0.608 4.929 4.320 0.001 0.000 0.293 79 A C -0.668 176.911 177.584 -0.009 0.000 1.087 79 A CA -0.409 51.679 52.037 0.085 0.000 0.692 79 A CB 1.872 20.907 19.000 0.058 0.000 1.291 79 A HN 0.464 nan 8.150 nan 0.000 0.407 80 T N 0.054 114.683 114.554 0.125 0.000 2.753 80 T HA 0.513 4.864 4.350 0.001 0.000 0.309 80 T C 0.613 175.330 174.700 0.027 0.000 1.043 80 T CA 0.058 62.221 62.100 0.105 0.000 0.964 80 T CB -0.121 68.824 68.868 0.129 0.000 1.206 80 T HN 1.074 nan 8.240 nan 0.000 0.528 81 L N -0.393 120.842 121.223 0.021 0.000 2.475 81 L HA 0.659 5.000 4.340 0.001 0.000 0.253 81 L C 1.348 178.206 176.870 -0.020 0.000 1.198 81 L CA -0.221 54.617 54.840 -0.004 0.000 0.814 81 L CB -0.677 41.374 42.059 -0.013 0.000 1.134 81 L HN 0.902 nan 8.230 nan 0.000 0.478 82 G N 1.295 110.078 108.800 -0.028 0.000 2.646 82 G HA2 -0.327 3.634 3.960 0.001 0.000 0.324 82 G HA3 -0.327 3.634 3.960 0.001 0.000 0.324 82 G C -1.049 173.828 174.900 -0.037 0.000 1.195 82 G CA 0.434 45.508 45.100 -0.044 0.000 0.976 82 G HN 0.778 nan 8.290 nan 0.000 0.546 83 P HA 0.002 nan 4.420 nan 0.000 0.223 83 P C 1.925 179.207 177.300 -0.031 0.000 1.151 83 P CA 2.310 65.389 63.100 -0.035 0.000 0.787 83 P CB -0.647 31.030 31.700 -0.037 0.000 0.788 84 G N 0.803 109.592 108.800 -0.019 0.000 2.446 84 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 84 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 84 G C 1.549 176.450 174.900 0.002 0.000 1.168 84 G CA 0.979 46.078 45.100 -0.002 0.000 0.771 84 G HN 0.175 nan 8.290 nan 0.000 0.551 85 M N 2.032 121.629 119.600 -0.005 0.000 2.132 85 M HA -0.086 4.395 4.480 0.001 0.000 0.263 85 M C 2.728 178.995 176.300 -0.054 0.000 1.065 85 M CA 2.411 57.700 55.300 -0.019 0.000 1.122 85 M CB -1.202 31.394 32.600 -0.008 0.000 1.365 85 M HN 0.379 nan 8.290 nan 0.000 0.411 86 T N -0.872 113.655 114.554 -0.044 0.000 2.788 86 T HA -0.115 4.236 4.350 0.001 0.000 0.268 86 T C 1.600 176.304 174.700 0.007 0.000 1.044 86 T CA 1.677 63.756 62.100 -0.036 0.000 1.139 86 T CB -0.650 68.200 68.868 -0.029 0.000 0.867 86 T HN 0.322 nan 8.240 nan 0.000 0.454 87 N N 1.199 119.914 118.700 0.024 0.000 2.142 87 N HA 0.091 4.832 4.740 0.001 0.000 0.186 87 N C 1.851 177.454 175.510 0.155 0.000 1.023 87 N CA 0.731 53.835 53.050 0.091 0.000 0.852 87 N CB -0.673 37.788 38.487 -0.043 0.000 0.998 87 N HN 0.306 nan 8.380 nan 0.000 0.424 88 L N 1.019 122.296 121.223 0.091 0.000 2.127 88 L HA -0.163 4.178 4.340 0.001 0.000 0.211 88 L C 2.021 178.938 176.870 0.079 0.000 1.089 88 L CA 1.388 56.287 54.840 0.097 0.000 0.757 88 L CB -0.525 41.568 42.059 0.058 0.000 0.899 88 L HN 0.295 nan 8.230 nan 0.000 0.434 89 S N -2.205 113.511 115.700 0.027 0.000 2.442 89 S HA -0.165 4.306 4.470 0.001 0.000 0.236 89 S C 1.720 176.351 174.600 0.052 0.000 1.007 89 S CA 1.532 59.722 58.200 -0.016 0.000 0.965 89 S CB -0.489 62.667 63.200 -0.074 0.000 0.773 89 S HN 0.403 nan 8.310 nan 0.000 0.504 90 T N 1.559 116.193 114.554 0.132 0.000 2.904 90 T HA 0.114 4.465 4.350 0.001 0.000 0.267 90 T C 1.997 176.892 174.700 0.326 0.000 1.059 90 T CA 1.148 63.368 62.100 0.199 0.000 1.137 90 T CB -0.953 68.008 68.868 0.156 0.000 0.879 90 T HN 0.634 nan 8.240 nan 0.000 0.467 91 G N 1.501 110.489 108.800 0.312 0.000 2.418 91 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 91 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 91 G C 1.492 176.430 174.900 0.063 0.000 1.158 91 G CA 0.534 45.704 45.100 0.116 0.000 0.771 91 G HN 0.489 nan 8.290 nan 0.000 0.545 92 I N 1.337 121.939 120.570 0.052 0.000 2.252 92 I HA -0.112 4.059 4.170 0.001 0.000 0.245 92 I C 3.281 179.411 176.117 0.020 0.000 1.102 92 I CA 0.849 62.162 61.300 0.020 0.000 1.385 92 I CB -0.216 37.772 38.000 -0.020 0.000 1.064 92 I HN 0.230 nan 8.210 nan 0.000 0.414 93 A N 0.432 123.270 122.820 0.031 0.000 1.940 93 A HA -0.226 4.095 4.320 0.001 0.000 0.219 93 A C 2.386 179.992 177.584 0.038 0.000 1.176 93 A CA 2.530 54.582 52.037 0.026 0.000 0.631 93 A CB -1.111 17.906 19.000 0.029 0.000 0.814 93 A HN 0.388 nan 8.150 nan 0.000 0.446 94 T N -0.609 113.991 114.554 0.076 0.000 2.708 94 T HA -0.151 4.200 4.350 0.001 0.000 0.266 94 T C 2.314 177.033 174.700 0.030 0.000 1.037 94 T CA 1.833 63.979 62.100 0.076 0.000 1.146 94 T CB -0.377 68.574 68.868 0.139 0.000 0.865 94 T HN 0.603 nan 8.240 nan 0.000 0.435 95 S N 0.332 116.042 115.700 0.018 0.000 2.368 95 S HA -0.101 4.370 4.470 0.001 0.000 0.225 95 S C 2.190 176.788 174.600 -0.002 0.000 1.030 95 S CA 1.357 59.556 58.200 -0.001 0.000 0.999 95 S CB -0.613 62.587 63.200 -0.001 0.000 0.844 95 S HN 0.269 nan 8.310 nan 0.000 0.459 96 V N 0.876 120.792 119.914 0.003 0.000 2.427 96 V HA 0.026 4.147 4.120 0.001 0.000 0.248 96 V C 2.175 178.263 176.094 -0.010 0.000 1.051 96 V CA 1.768 64.067 62.300 -0.000 0.000 1.048 96 V CB -0.294 31.530 31.823 0.002 0.000 0.666 96 V HN 0.567 nan 8.190 nan 0.000 0.456 97 L N -0.662 120.552 121.223 -0.015 0.000 2.168 97 L HA 0.016 4.357 4.340 0.001 0.000 0.203 97 L C 2.105 178.949 176.870 -0.044 0.000 1.078 97 L CA 1.344 56.166 54.840 -0.030 0.000 0.780 97 L CB -0.398 41.640 42.059 -0.035 0.000 0.939 97 L HN 0.280 nan 8.230 nan 0.000 0.451 98 D N 0.162 120.538 120.400 -0.041 0.000 2.347 98 D HA -0.035 4.606 4.640 0.001 0.000 0.215 98 D C -0.157 176.118 176.300 -0.042 0.000 0.976 98 D CA 0.275 54.244 54.000 -0.051 0.000 0.884 98 D CB 0.148 40.920 40.800 -0.046 0.000 0.915 98 D HN 0.002 nan 8.370 nan 0.000 0.526 99 R N 0.171 120.653 120.500 -0.031 0.000 2.448 99 R HA -0.096 4.245 4.340 0.001 0.000 0.336 99 R C -0.691 175.590 176.300 -0.032 0.000 1.038 99 R CA 0.134 56.219 56.100 -0.024 0.000 0.804 99 R CB -3.131 27.159 30.300 -0.017 0.000 2.350 99 R HN 0.315 nan 8.270 nan 0.000 0.484 100 S N 0.238 115.921 115.700 -0.029 0.000 2.546 100 S HA 0.783 5.254 4.470 0.001 0.000 0.274 100 S C -2.825 171.764 174.600 -0.019 0.000 1.121 100 S CA -1.692 56.486 58.200 -0.036 0.000 0.887 100 S CB 3.653 66.818 63.200 -0.059 0.000 1.094 100 S HN 0.180 nan 8.310 nan 0.000 0.474 101 P HA 0.354 nan 4.420 nan 0.000 0.266 101 P C -0.890 176.408 177.300 -0.004 0.000 1.586 101 P CA -0.258 62.836 63.100 -0.009 0.000 1.088 101 P CB 0.399 32.093 31.700 -0.009 0.000 1.584 102 V N 5.422 125.340 119.914 0.007 0.000 2.513 102 V HA 0.343 4.464 4.120 0.001 0.000 0.299 102 V C 0.434 176.553 176.094 0.042 0.000 1.035 102 V CA -0.788 61.526 62.300 0.023 0.000 0.889 102 V CB 2.206 34.040 31.823 0.018 0.000 0.988 102 V HN 0.290 nan 8.190 nan 0.000 0.440 103 I N 4.123 124.725 120.570 0.053 0.000 2.306 103 I HA 0.497 4.668 4.170 0.001 0.000 0.288 103 I C 0.559 176.740 176.117 0.106 0.000 1.036 103 I CA -0.395 60.946 61.300 0.067 0.000 1.221 103 I CB 0.848 38.874 38.000 0.042 0.000 1.385 103 I HN 0.662 nan 8.210 nan 0.000 0.472 104 A N 8.261 131.164 122.820 0.138 0.000 2.289 104 A HA 0.790 5.111 4.320 0.001 0.000 0.298 104 A C -0.380 177.282 177.584 0.131 0.000 1.208 104 A CA -0.398 51.749 52.037 0.182 0.000 0.845 104 A CB 0.542 19.692 19.000 0.251 0.000 1.125 104 A HN 0.689 nan 8.150 nan 0.000 0.517 105 L N 2.145 123.374 121.223 0.010 0.000 2.356 105 L HA 0.763 5.104 4.340 0.001 0.000 0.277 105 L C 0.153 176.725 176.870 -0.496 0.000 0.996 105 L CA -0.332 54.329 54.840 -0.298 0.000 0.822 105 L CB 2.071 43.955 42.059 -0.292 0.000 1.256 105 L HN 0.784 nan 8.230 nan 0.000 0.413 106 A N 2.181 124.706 122.820 -0.492 0.000 2.449 106 A HA 0.908 5.229 4.320 0.001 0.000 0.302 106 A C -0.381 176.980 177.584 -0.372 0.000 1.048 106 A CA -0.423 51.395 52.037 -0.365 0.000 0.708 106 A CB 1.632 20.698 19.000 0.110 0.000 1.274 106 A HN 0.759 nan 8.150 nan 0.000 0.410 107 A N 0.684 123.339 122.820 -0.276 0.000 2.327 107 A HA 0.623 4.944 4.320 0.001 0.000 0.255 107 A C 0.127 177.674 177.584 -0.060 0.000 1.099 107 A CA 0.180 52.151 52.037 -0.110 0.000 0.801 107 A CB 0.497 19.517 19.000 0.032 0.000 1.062 107 A HN 1.165 nan 8.150 nan 0.000 0.496 108 Q N -0.466 119.307 119.800 -0.045 0.000 2.462 108 Q HA 0.501 4.842 4.340 0.001 0.000 0.285 108 Q C -0.561 175.414 176.000 -0.042 0.000 1.035 108 Q CA -0.303 55.475 55.803 -0.042 0.000 0.799 108 Q CB 1.693 30.396 28.738 -0.059 0.000 1.452 108 Q HN 0.762 nan 8.270 nan 0.000 0.404 109 S N 1.808 117.477 115.700 -0.051 0.000 2.554 109 S HA -0.003 4.468 4.470 0.001 0.000 0.290 109 S C -0.507 174.023 174.600 -0.116 0.000 1.309 109 S CA 0.065 58.224 58.200 -0.070 0.000 1.047 109 S CB 0.008 63.163 63.200 -0.075 0.000 0.828 109 S HN 0.559 nan 8.310 nan 0.000 0.509 110 E N 1.831 121.940 120.200 -0.153 0.000 2.608 110 E HA -0.042 4.309 4.350 0.001 0.000 0.259 110 E C 1.410 177.821 176.600 -0.315 0.000 0.951 110 E CA 0.577 56.831 56.400 -0.242 0.000 0.945 110 E CB 0.295 29.756 29.700 -0.399 0.000 0.916 110 E HN 0.653 nan 8.360 nan 0.000 0.477 111 S N 3.296 118.885 115.700 -0.185 0.000 2.372 111 S HA -0.360 4.111 4.470 0.001 0.000 0.227 111 S C 1.694 176.191 174.600 -0.170 0.000 1.044 111 S CA 2.039 60.159 58.200 -0.133 0.000 1.050 111 S CB -0.779 62.404 63.200 -0.030 0.000 0.901 111 S HN 0.818 nan 8.310 nan 0.000 0.447 112 H N -0.217 118.803 119.070 -0.084 0.000 2.546 112 H HA 0.342 4.899 4.556 0.001 0.000 0.277 112 H C 1.003 176.251 175.328 -0.135 0.000 1.004 112 H CA 1.074 57.072 56.048 -0.084 0.000 1.231 112 H CB -0.397 29.357 29.762 -0.014 0.000 1.382 112 H HN 0.445 nan 8.280 nan 0.000 0.580 113 D N 0.313 120.453 120.400 -0.434 0.000 2.538 113 D HA 0.161 4.802 4.640 0.001 0.000 0.231 113 D C -0.435 175.612 176.300 -0.422 0.000 1.229 113 D CA -0.310 53.519 54.000 -0.285 0.000 0.828 113 D CB -0.100 40.594 40.800 -0.175 0.000 1.035 113 D HN 0.394 nan 8.370 nan 0.000 0.495 114 I N 1.527 121.733 120.570 -0.608 0.000 2.329 114 I HA 0.155 4.326 4.170 0.001 0.000 0.295 114 I C -0.599 175.096 176.117 -0.703 0.000 1.109 114 I CA -0.090 60.932 61.300 -0.463 0.000 1.297 114 I CB 0.000 37.819 38.000 -0.302 0.000 1.433 114 I HN -0.104 nan 8.210 nan 0.000 0.509 115 F N 7.156 127.097 119.950 -0.014 0.000 2.691 115 F HA 0.388 4.916 4.527 0.002 0.000 0.371 115 F C -2.309 173.487 175.800 -0.008 0.000 1.159 115 F CA -2.794 55.202 58.000 -0.006 0.000 1.174 115 F CB 0.738 39.739 39.000 0.002 0.000 1.419 115 F HN 0.243 nan 8.300 nan 0.000 0.514 116 P HA 0.068 nan 4.420 nan 0.000 0.262 116 P C 0.069 177.409 177.300 0.067 0.000 1.182 116 P CA 0.657 63.790 63.100 0.056 0.000 0.761 116 P CB 0.404 32.120 31.700 0.026 0.000 0.795 117 N N 1.114 119.841 118.700 0.045 0.000 2.878 117 N HA -0.157 4.584 4.740 0.001 0.000 0.247 117 N C 0.130 175.669 175.510 0.049 0.000 1.021 117 N CA 1.304 54.375 53.050 0.035 0.000 0.873 117 N CB -1.523 36.979 38.487 0.025 0.000 1.128 117 N HN 0.529 nan 8.380 nan 0.000 0.571 118 D N -1.162 119.286 120.400 0.081 0.000 2.760 118 D HA 0.066 4.707 4.640 0.001 0.000 0.285 118 D C 0.148 176.510 176.300 0.103 0.000 1.178 118 D CA 0.537 54.582 54.000 0.074 0.000 1.031 118 D CB -0.049 40.781 40.800 0.050 0.000 1.544 118 D HN 0.019 nan 8.370 nan 0.000 0.468 119 T N 1.327 115.980 114.554 0.164 0.000 2.928 119 T HA -0.023 4.328 4.350 0.001 0.000 0.305 119 T C 0.204 174.980 174.700 0.125 0.000 1.035 119 T CA 0.168 62.370 62.100 0.170 0.000 1.145 119 T CB 0.373 69.358 68.868 0.194 0.000 0.963 119 T HN 0.090 nan 8.240 nan 0.000 0.545 120 H N 2.995 122.095 119.070 0.049 0.000 3.167 120 H HA -0.048 4.509 4.556 0.001 0.000 0.306 120 H C 1.127 176.471 175.328 0.027 0.000 0.965 120 H CA 1.200 57.268 56.048 0.033 0.000 1.408 120 H CB -0.088 29.691 29.762 0.028 0.000 1.406 120 H HN 0.787 nan 8.280 nan 0.000 0.576 121 Q N 1.274 120.811 119.800 -0.439 0.000 2.406 121 Q HA -0.278 4.063 4.340 0.001 0.000 0.236 121 Q C -0.402 175.519 176.000 -0.131 0.000 0.799 121 Q CA 1.076 56.680 55.803 -0.331 0.000 1.286 121 Q CB -1.751 26.737 28.738 -0.417 0.000 1.615 121 Q HN 0.609 nan 8.270 nan 0.000 0.621 122 C N 1.239 120.499 119.300 -0.067 0.000 2.265 122 C HA 0.670 5.131 4.460 0.001 0.000 0.332 122 C C 0.190 175.169 174.990 -0.019 0.000 1.248 122 C CA -0.456 58.544 59.018 -0.029 0.000 1.727 122 C CB -0.291 27.451 27.740 0.004 0.000 2.348 122 C HN 0.345 nan 8.230 nan 0.000 0.519 123 L N 4.336 125.545 121.223 -0.022 0.000 2.323 123 L HA 0.440 4.780 4.340 0.001 0.000 0.265 123 L C -0.245 176.618 176.870 -0.012 0.000 1.012 123 L CA -0.539 54.290 54.840 -0.017 0.000 0.820 123 L CB 1.521 43.564 42.059 -0.027 0.000 1.334 123 L HN 0.500 nan 8.230 nan 0.000 0.427 124 D N 0.299 120.692 120.400 -0.012 0.000 2.508 124 D HA 0.099 4.740 4.640 0.001 0.000 0.224 124 D C 0.856 177.152 176.300 -0.008 0.000 1.171 124 D CA 0.198 54.192 54.000 -0.009 0.000 1.006 124 D CB 0.745 41.539 40.800 -0.010 0.000 1.073 124 D HN 0.414 nan 8.370 nan 0.000 0.513 125 S N 1.069 116.782 115.700 0.021 0.000 2.370 125 S HA -0.136 4.335 4.470 0.001 0.000 0.226 125 S C 2.108 176.735 174.600 0.044 0.000 1.033 125 S CA 0.761 58.987 58.200 0.043 0.000 1.011 125 S CB 0.071 63.394 63.200 0.204 0.000 0.852 125 S HN 0.442 nan 8.310 nan 0.000 0.457 126 V N 1.917 121.906 119.914 0.125 0.000 2.358 126 V HA -0.170 3.951 4.120 0.001 0.000 0.246 126 V C 2.636 178.731 176.094 0.002 0.000 1.047 126 V CA 1.634 63.999 62.300 0.109 0.000 1.035 126 V CB -1.205 30.652 31.823 0.056 0.000 0.658 126 V HN 0.542 nan 8.190 nan 0.000 0.452 127 A N -0.160 122.651 122.820 -0.016 0.000 1.933 127 A HA -0.155 4.166 4.320 0.001 0.000 0.218 127 A C 2.163 179.715 177.584 -0.053 0.000 1.175 127 A CA 1.835 53.853 52.037 -0.031 0.000 0.628 127 A CB -0.514 18.472 19.000 -0.024 0.000 0.814 127 A HN 0.525 nan 8.150 nan 0.000 0.444 128 I N -0.799 119.726 120.570 -0.075 0.000 2.353 128 I HA -0.139 4.031 4.170 0.001 0.000 0.248 128 I C 1.921 177.950 176.117 -0.146 0.000 1.119 128 I CA 0.867 62.106 61.300 -0.102 0.000 1.417 128 I CB 0.033 37.967 38.000 -0.110 0.000 1.078 128 I HN 0.143 nan 8.210 nan 0.000 0.421 129 V N 0.327 120.112 119.914 -0.216 0.000 3.307 129 V HA 0.089 4.210 4.120 0.001 0.000 0.253 129 V C 2.515 178.525 176.094 -0.140 0.000 1.149 129 V CA 1.018 63.148 62.300 -0.282 0.000 1.112 129 V CB -0.144 31.265 31.823 -0.690 0.000 0.777 129 V HN 0.370 nan 8.190 nan 0.000 0.464 130 A N 1.356 124.128 122.820 -0.081 0.000 1.917 130 A HA -0.167 4.154 4.320 0.001 0.000 0.219 130 A C 0.468 178.033 177.584 -0.032 0.000 1.182 130 A CA 2.304 54.318 52.037 -0.038 0.000 0.633 130 A CB -1.847 17.134 19.000 -0.032 0.000 0.819 130 A HN 0.554 nan 8.150 nan 0.000 0.448 131 P HA -0.051 nan 4.420 nan 0.000 0.226 131 P C 0.963 178.246 177.300 -0.028 0.000 1.153 131 P CA 1.218 64.300 63.100 -0.030 0.000 0.777 131 P CB -0.106 31.574 31.700 -0.034 0.000 0.794 132 M N -2.767 116.809 119.600 -0.039 0.000 2.778 132 M HA 0.409 4.890 4.480 0.001 0.000 0.359 132 M C -0.336 175.954 176.300 -0.018 0.000 1.216 132 M CA -0.455 54.826 55.300 -0.031 0.000 0.935 132 M CB 0.533 33.106 32.600 -0.045 0.000 1.330 132 M HN -0.257 nan 8.290 nan 0.000 0.516 133 S N -1.350 114.350 115.700 0.000 0.000 2.607 133 S HA 0.574 5.045 4.470 0.001 0.000 0.273 133 S C 0.225 174.859 174.600 0.057 0.000 1.148 133 S CA -0.935 57.286 58.200 0.034 0.000 0.833 133 S CB 1.718 64.949 63.200 0.053 0.000 1.130 133 S HN 0.182 nan 8.310 nan 0.000 0.470 134 K N -0.199 120.253 120.400 0.087 0.000 2.296 134 K HA 0.200 4.521 4.320 0.001 0.000 0.200 134 K C -0.442 176.268 176.600 0.183 0.000 1.048 134 K CA 1.030 57.378 56.287 0.101 0.000 0.966 134 K CB -0.437 32.111 32.500 0.081 0.000 0.754 134 K HN 0.730 nan 8.250 nan 0.000 0.466 135 Y N -0.853 119.465 120.300 0.031 0.000 2.409 135 Y HA 0.419 4.970 4.550 0.002 0.000 0.321 135 Y C -2.077 173.868 175.900 0.075 0.000 1.209 135 Y CA -1.137 56.984 58.100 0.034 0.000 1.086 135 Y CB 1.321 39.791 38.460 0.016 0.000 1.320 135 Y HN -0.049 nan 8.280 nan 0.000 0.440 136 A N 4.982 127.621 122.820 -0.301 0.000 2.459 136 A HA 0.841 5.162 4.320 0.001 0.000 0.296 136 A C -2.131 175.231 177.584 -0.370 0.000 1.039 136 A CA -0.413 51.536 52.037 -0.147 0.000 0.698 136 A CB 1.610 20.657 19.000 0.077 0.000 1.261 136 A HN 1.297 nan 8.150 nan 0.000 0.405 137 V N 1.319 121.031 119.914 -0.337 0.000 3.204 137 V HA 0.624 4.745 4.120 0.001 0.000 0.298 137 V C -1.246 174.705 176.094 -0.239 0.000 1.328 137 V CA -0.494 61.615 62.300 -0.319 0.000 1.035 137 V CB 2.091 33.647 31.823 -0.445 0.000 1.095 137 V HN 1.048 nan 8.190 nan 0.000 0.442 138 E N 3.310 123.408 120.200 -0.169 0.000 2.166 138 E HA 0.475 4.826 4.350 0.001 0.000 0.275 138 E C -1.119 175.405 176.600 -0.126 0.000 0.941 138 E CA -0.855 55.454 56.400 -0.151 0.000 0.784 138 E CB 1.797 31.436 29.700 -0.102 0.000 1.115 138 E HN 0.669 nan 8.360 nan 0.000 0.399 139 L N 4.087 125.234 121.223 -0.126 0.000 2.490 139 L HA -0.003 4.338 4.340 0.001 0.000 0.274 139 L C 0.358 177.185 176.870 -0.072 0.000 1.201 139 L CA 1.217 56.002 54.840 -0.092 0.000 0.869 139 L CB 0.641 42.649 42.059 -0.084 0.000 1.123 139 L HN 0.779 nan 8.230 nan 0.000 0.484 140 Q N 3.396 123.159 119.800 -0.062 0.000 2.459 140 Q HA 0.308 4.649 4.340 0.001 0.000 0.260 140 Q C -0.197 175.786 176.000 -0.028 0.000 0.828 140 Q CA -0.025 55.751 55.803 -0.045 0.000 0.987 140 Q CB 0.921 29.633 28.738 -0.043 0.000 1.216 140 Q HN 0.574 nan 8.270 nan 0.000 0.558 141 R N 0.854 121.328 120.500 -0.044 0.000 2.451 141 R HA 0.250 4.591 4.340 0.001 0.000 0.307 141 R C -2.231 174.041 176.300 -0.047 0.000 0.965 141 R CA -1.801 54.287 56.100 -0.020 0.000 0.865 141 R CB 1.551 31.838 30.300 -0.020 0.000 1.174 141 R HN -0.104 nan 8.270 nan 0.000 0.455 142 P HA -0.278 nan 4.420 nan 0.000 0.218 142 P C 0.915 178.228 177.300 0.021 0.000 1.154 142 P CA 1.459 64.575 63.100 0.027 0.000 0.872 142 P CB 0.026 31.765 31.700 0.064 0.000 0.790 143 H N -0.662 118.412 119.070 0.006 0.000 2.546 143 H HA 0.071 4.628 4.556 0.001 0.000 0.277 143 H C 1.109 176.441 175.328 0.006 0.000 1.004 143 H CA 0.879 56.930 56.048 0.005 0.000 1.231 143 H CB -0.664 29.101 29.762 0.005 0.000 1.382 143 H HN 0.241 nan 8.280 nan 0.000 0.580 144 E N 0.275 120.172 120.200 -0.504 0.000 2.482 144 E HA -0.021 4.330 4.350 0.001 0.000 0.196 144 E C 1.746 178.266 176.600 -0.134 0.000 1.047 144 E CA 0.116 56.299 56.400 -0.362 0.000 0.869 144 E CB 0.044 29.535 29.700 -0.348 0.000 0.836 144 E HN 0.282 nan 8.360 nan 0.000 0.520 145 I N 1.186 121.706 120.570 -0.084 0.000 2.335 145 I HA -0.277 3.894 4.170 0.001 0.000 0.251 145 I C 1.916 178.028 176.117 -0.009 0.000 1.129 145 I CA 1.604 62.885 61.300 -0.032 0.000 1.402 145 I CB -0.359 37.635 38.000 -0.009 0.000 1.069 145 I HN -0.012 nan 8.210 nan 0.000 0.424 146 T N 0.848 115.398 114.554 -0.005 0.000 2.652 146 T HA -0.237 4.114 4.350 0.001 0.000 0.267 146 T C 1.399 176.111 174.700 0.019 0.000 1.039 146 T CA 1.994 64.103 62.100 0.016 0.000 1.153 146 T CB -0.659 68.222 68.868 0.021 0.000 0.863 146 T HN 0.713 nan 8.240 nan 0.000 0.428 147 D N 0.822 121.222 120.400 0.001 0.000 2.312 147 D HA -0.007 4.634 4.640 0.001 0.000 0.211 147 D C 1.926 178.225 176.300 -0.003 0.000 0.964 147 D CA 0.525 54.526 54.000 0.002 0.000 0.877 147 D CB -0.554 40.245 40.800 -0.002 0.000 0.924 147 D HN 0.347 nan 8.370 nan 0.000 0.515 148 L N 0.101 121.329 121.223 0.008 0.000 2.095 148 L HA -0.051 4.290 4.340 0.001 0.000 0.204 148 L C 2.476 179.347 176.870 0.002 0.000 1.080 148 L CA 0.418 55.291 54.840 0.055 0.000 0.759 148 L CB -0.316 41.779 42.059 0.060 0.000 0.914 148 L HN 0.042 nan 8.230 nan 0.000 0.439 149 V N 0.171 120.079 119.914 -0.010 0.000 2.332 149 V HA -0.307 3.814 4.120 0.001 0.000 0.248 149 V C 2.121 178.138 176.094 -0.129 0.000 1.055 149 V CA 1.984 64.257 62.300 -0.045 0.000 1.038 149 V CB -0.510 31.317 31.823 0.007 0.000 0.651 149 V HN 0.444 nan 8.190 nan 0.000 0.450 150 D N -0.267 120.099 120.400 -0.056 0.000 2.117 150 D HA -0.119 4.522 4.640 0.001 0.000 0.197 150 D C 2.423 178.621 176.300 -0.171 0.000 0.987 150 D CA 1.599 55.569 54.000 -0.050 0.000 0.829 150 D CB -0.267 40.564 40.800 0.053 0.000 0.961 150 D HN 0.354 nan 8.370 nan 0.000 0.460 151 S N 0.096 115.655 115.700 -0.236 0.000 2.406 151 S HA -0.041 4.430 4.470 0.001 0.000 0.228 151 S C 2.016 176.147 174.600 -0.783 0.000 1.020 151 S CA 0.815 58.756 58.200 -0.432 0.000 0.965 151 S CB -0.017 62.950 63.200 -0.388 0.000 0.798 151 S HN 0.346 nan 8.310 nan 0.000 0.488 152 A N 1.060 123.446 122.820 -0.722 0.000 1.873 152 A HA -0.037 4.284 4.320 0.001 0.000 0.215 152 A C 2.294 179.696 177.584 -0.303 0.000 1.186 152 A CA 1.440 53.153 52.037 -0.540 0.000 0.616 152 A CB -0.908 17.998 19.000 -0.157 0.000 0.823 152 A HN 0.337 nan 8.150 nan 0.000 0.442 153 V N 1.017 120.757 119.914 -0.290 0.000 2.343 153 V HA -0.270 3.851 4.120 0.001 0.000 0.247 153 V C 2.348 178.339 176.094 -0.172 0.000 1.051 153 V CA 2.160 64.308 62.300 -0.253 0.000 1.036 153 V CB -1.046 30.504 31.823 -0.454 0.000 0.654 153 V HN 0.540 nan 8.190 nan 0.000 0.451 154 N N 0.642 119.234 118.700 -0.180 0.000 2.061 154 N HA -0.162 4.579 4.740 0.001 0.000 0.193 154 N C 1.791 177.235 175.510 -0.109 0.000 1.030 154 N CA 1.898 54.875 53.050 -0.122 0.000 0.856 154 N CB -0.485 37.926 38.487 -0.127 0.000 1.023 154 N HN 0.517 nan 8.380 nan 0.000 0.424 155 A N 0.179 122.905 122.820 -0.156 0.000 2.016 155 A HA 0.268 4.589 4.320 0.001 0.000 0.217 155 A C 2.235 179.795 177.584 -0.040 0.000 1.162 155 A CA 1.325 53.314 52.037 -0.081 0.000 0.662 155 A CB -0.453 18.511 19.000 -0.061 0.000 0.812 155 A HN 0.295 nan 8.150 nan 0.000 0.450 156 A N -1.130 121.656 122.820 -0.058 0.000 1.968 156 A HA 0.069 4.390 4.320 0.001 0.000 0.217 156 A C 1.705 179.275 177.584 -0.024 0.000 1.169 156 A CA 1.288 53.309 52.037 -0.028 0.000 0.638 156 A CB -0.262 18.716 19.000 -0.036 0.000 0.812 156 A HN 0.361 nan 8.150 nan 0.000 0.446 157 M N 1.041 120.621 119.600 -0.034 0.000 2.626 157 M HA 0.167 4.648 4.480 0.001 0.000 0.262 157 M C -0.620 175.671 176.300 -0.015 0.000 1.256 157 M CA 0.503 55.792 55.300 -0.019 0.000 0.981 157 M CB -0.616 31.974 32.600 -0.015 0.000 1.492 157 M HN 0.097 nan 8.290 nan 0.000 0.474 158 T N 0.966 115.510 114.554 -0.016 0.000 2.807 158 T HA 0.308 4.658 4.350 0.001 0.000 0.279 158 T C 0.257 174.951 174.700 -0.009 0.000 0.993 158 T CA -0.647 61.445 62.100 -0.013 0.000 0.970 158 T CB 2.087 70.947 68.868 -0.014 0.000 0.950 158 T HN 0.120 nan 8.240 nan 0.000 0.441 159 E N 3.819 124.012 120.200 -0.012 0.000 2.392 159 E HA 0.156 4.507 4.350 0.001 0.000 0.264 159 E C -2.190 174.404 176.600 -0.009 0.000 1.024 159 E CA -1.776 54.617 56.400 -0.011 0.000 0.903 159 E CB 0.397 30.086 29.700 -0.018 0.000 0.963 159 E HN 0.338 nan 8.360 nan 0.000 0.432 160 P HA 0.010 nan 4.420 nan 0.000 0.276 160 P C 0.069 177.368 177.300 -0.002 0.000 1.253 160 P CA -0.292 62.805 63.100 -0.005 0.000 0.766 160 P CB 0.448 32.145 31.700 -0.005 0.000 0.845 161 V N 1.627 121.539 119.914 -0.003 0.000 3.139 161 V HA 0.716 4.836 4.120 0.001 0.000 0.307 161 V C 0.606 176.699 176.094 -0.002 0.000 1.095 161 V CA 0.472 62.770 62.300 -0.003 0.000 1.160 161 V CB -0.089 31.733 31.823 -0.003 0.000 1.003 161 V HN 0.889 nan 8.190 nan 0.000 0.489 162 G N 2.343 111.144 108.800 0.002 0.000 2.342 162 G HA2 0.579 4.540 3.960 0.001 0.000 0.297 162 G HA3 0.579 4.540 3.960 0.001 0.000 0.297 162 G C -3.526 171.386 174.900 0.020 0.000 1.313 162 G CA -0.477 44.628 45.100 0.009 0.000 0.830 162 G HN 0.767 nan 8.290 nan 0.000 0.506 163 P HA 0.514 nan 4.420 nan 0.000 0.288 163 P C -0.708 176.651 177.300 0.098 0.000 1.267 163 P CA -0.262 62.871 63.100 0.056 0.000 0.815 163 P CB 1.920 33.651 31.700 0.052 0.000 0.989 164 S N 2.016 117.791 115.700 0.125 0.000 2.482 164 S HA 0.605 5.076 4.470 0.001 0.000 0.303 164 S C -0.981 173.775 174.600 0.260 0.000 1.091 164 S CA -0.323 58.006 58.200 0.215 0.000 1.057 164 S CB 0.505 63.798 63.200 0.155 0.000 1.031 164 S HN 0.430 nan 8.310 nan 0.000 0.485 165 F N 3.585 123.602 119.950 0.112 0.000 2.482 165 F HA 0.693 5.221 4.527 0.002 0.000 0.331 165 F C -1.259 174.546 175.800 0.009 0.000 1.115 165 F CA -1.109 56.906 58.000 0.025 0.000 0.955 165 F CB 0.638 39.624 39.000 -0.024 0.000 1.136 165 F HN 0.434 nan 8.300 nan 0.000 0.452 166 I N 4.912 125.041 120.570 -0.736 0.000 2.418 166 I HA 0.245 4.416 4.170 0.001 0.000 0.287 166 I C -0.410 175.079 176.117 -1.048 0.000 1.008 166 I CA -0.772 60.122 61.300 -0.676 0.000 1.104 166 I CB 1.861 39.695 38.000 -0.276 0.000 1.264 166 I HN 0.546 nan 8.210 nan 0.000 0.438 167 S N 7.213 122.373 115.700 -0.900 0.000 2.513 167 S HA 0.630 5.101 4.470 0.001 0.000 0.276 167 S C -0.556 173.857 174.600 -0.311 0.000 1.254 167 S CA -0.426 57.435 58.200 -0.565 0.000 1.053 167 S CB 0.390 63.439 63.200 -0.252 0.000 0.958 167 S HN 0.477 nan 8.310 nan 0.000 0.491 168 L N 6.601 127.679 121.223 -0.242 0.000 2.417 168 L HA 0.399 4.740 4.340 0.001 0.000 0.259 168 L C -2.462 174.359 176.870 -0.082 0.000 1.023 168 L CA -2.102 52.648 54.840 -0.150 0.000 0.901 168 L CB 1.600 43.569 42.059 -0.150 0.000 1.227 168 L HN 0.451 nan 8.230 nan 0.000 0.454 169 P HA -0.010 nan 4.420 nan 0.000 0.265 169 P C 1.077 178.365 177.300 -0.021 0.000 1.193 169 P CA -0.036 63.031 63.100 -0.054 0.000 0.765 169 P CB 1.189 32.850 31.700 -0.064 0.000 0.823 170 V N 2.938 122.846 119.914 -0.010 0.000 2.427 170 V HA -0.217 3.904 4.120 0.001 0.000 0.248 170 V C 1.972 178.081 176.094 0.024 0.000 1.051 170 V CA 2.390 64.702 62.300 0.021 0.000 1.048 170 V CB -1.069 30.771 31.823 0.027 0.000 0.666 170 V HN 0.662 nan 8.190 nan 0.000 0.456 171 D N 0.559 120.971 120.400 0.020 0.000 2.097 171 D HA -0.202 4.439 4.640 0.001 0.000 0.195 171 D C 1.997 178.319 176.300 0.037 0.000 0.989 171 D CA 1.497 55.524 54.000 0.044 0.000 0.827 171 D CB -0.612 40.239 40.800 0.086 0.000 0.966 171 D HN 0.432 nan 8.370 nan 0.000 0.456 172 L N -0.430 120.808 121.223 0.024 0.000 2.093 172 L HA -0.066 4.275 4.340 0.001 0.000 0.208 172 L C 2.668 179.551 176.870 0.022 0.000 1.085 172 L CA 0.391 55.243 54.840 0.021 0.000 0.755 172 L CB -0.517 41.545 42.059 0.004 0.000 0.904 172 L HN 0.049 nan 8.230 nan 0.000 0.435 173 L N 0.683 121.921 121.223 0.024 0.000 2.079 173 L HA -0.103 4.237 4.340 0.001 0.000 0.210 173 L C 1.884 178.771 176.870 0.029 0.000 1.081 173 L CA 2.005 56.869 54.840 0.039 0.000 0.752 173 L CB -0.826 41.275 42.059 0.069 0.000 0.896 173 L HN 0.140 nan 8.230 nan 0.000 0.433 174 G N -1.459 107.355 108.800 0.024 0.000 3.523 174 G HA2 0.181 4.142 3.960 0.001 0.000 0.270 174 G HA3 0.181 4.142 3.960 0.001 0.000 0.270 174 G C 0.127 175.037 174.900 0.018 0.000 1.134 174 G CA 0.470 45.578 45.100 0.012 0.000 0.825 174 G HN 0.366 nan 8.290 nan 0.000 0.534 175 S N -0.115 115.600 115.700 0.026 0.000 2.509 175 S HA 0.465 4.936 4.470 0.001 0.000 0.297 175 S C 1.230 175.851 174.600 0.035 0.000 1.118 175 S CA 0.124 58.342 58.200 0.029 0.000 1.074 175 S CB 1.603 64.823 63.200 0.035 0.000 1.038 175 S HN 0.285 nan 8.310 nan 0.000 0.498 176 S N 2.312 118.031 115.700 0.032 0.000 2.577 176 S HA 0.236 4.706 4.470 0.001 0.000 0.219 176 S C 0.297 174.919 174.600 0.037 0.000 0.962 176 S CA -0.424 57.798 58.200 0.036 0.000 0.921 176 S CB -0.304 62.912 63.200 0.027 0.000 0.789 176 S HN 0.820 nan 8.310 nan 0.000 0.497 177 E N 1.312 121.536 120.200 0.040 0.000 2.351 177 E HA 0.361 4.712 4.350 0.001 0.000 0.266 177 E C 1.098 177.728 176.600 0.050 0.000 1.031 177 E CA 0.706 57.128 56.400 0.037 0.000 0.911 177 E CB -0.143 29.581 29.700 0.040 0.000 0.986 177 E HN 0.558 nan 8.360 nan 0.000 0.446 178 G N 4.286 113.086 108.800 0.000 0.000 2.159 178 G HA2 -0.281 3.680 3.960 0.001 0.000 0.256 178 G HA3 -0.281 3.680 3.960 0.001 0.000 0.256 178 G C 0.197 175.056 174.900 -0.068 0.000 0.977 178 G CA 0.133 45.183 45.100 -0.083 0.000 0.652 178 G HN 0.575 nan 8.290 nan 0.000 0.531 179 I N 2.076 122.653 120.570 0.011 0.000 2.306 179 I HA 0.576 4.747 4.170 0.001 0.000 0.288 179 I C 0.589 176.716 176.117 0.017 0.000 1.036 179 I CA 0.543 61.865 61.300 0.037 0.000 1.221 179 I CB 0.703 38.742 38.000 0.064 0.000 1.385 179 I HN 0.316 nan 8.210 nan 0.000 0.472 186 P HA 0.499 nan 4.420 nan 0.000 0.274 186 P C -2.592 174.689 177.300 -0.032 0.000 1.246 186 P CA -0.751 62.341 63.100 -0.014 0.000 0.795 186 P CB -0.563 31.134 31.700 -0.004 0.000 1.006 187 P HA 0.099 nan 4.420 nan 0.000 0.268 187 P C 0.338 177.589 177.300 -0.082 0.000 1.205 187 P CA -0.204 62.864 63.100 -0.054 0.000 0.771 187 P CB 0.600 32.277 31.700 -0.037 0.000 0.858 188 A N 2.975 125.703 122.820 -0.153 0.000 1.898 188 A HA -0.144 4.177 4.320 0.001 0.000 0.216 188 A C 0.872 178.369 177.584 -0.144 0.000 1.181 188 A CA 0.987 52.851 52.037 -0.288 0.000 0.620 188 A CB -1.082 17.567 19.000 -0.584 0.000 0.819 188 A HN 0.664 nan 8.150 nan 0.000 0.442 189 N N 0.100 118.750 118.700 -0.084 0.000 2.727 189 N HA -0.116 4.624 4.740 0.001 0.000 0.249 189 N C -0.565 174.963 175.510 0.029 0.000 1.048 189 N CA 1.309 54.349 53.050 -0.017 0.000 0.714 189 N CB -2.137 36.351 38.487 0.001 0.000 0.959 189 N HN 0.502 nan 8.380 nan 0.000 0.544 190 T N 1.860 116.436 114.554 0.036 0.000 2.829 190 T HA 0.190 4.541 4.350 0.001 0.000 0.293 190 T C -1.770 172.971 174.700 0.069 0.000 0.970 190 T CA -0.533 61.644 62.100 0.129 0.000 1.168 190 T CB 0.542 69.512 68.868 0.171 0.000 0.911 190 T HN 0.071 nan 8.240 nan 0.000 0.535 191 P HA 0.193 nan 4.420 nan 0.000 0.264 191 P C 0.443 177.764 177.300 0.036 0.000 1.193 191 P CA -0.218 62.903 63.100 0.036 0.000 0.763 191 P CB 0.448 32.163 31.700 0.024 0.000 0.810 192 A N 3.917 126.755 122.820 0.029 0.000 1.968 192 A HA -0.059 4.262 4.320 0.001 0.000 0.217 192 A C 0.870 178.473 177.584 0.031 0.000 1.169 192 A CA 1.358 53.413 52.037 0.030 0.000 0.638 192 A CB -0.508 18.507 19.000 0.026 0.000 0.812 192 A HN 0.658 nan 8.150 nan 0.000 0.446 193 K N -1.225 119.190 120.400 0.026 0.000 2.536 193 K HA 0.585 4.906 4.320 0.001 0.000 0.269 193 K C -3.419 173.190 176.600 0.016 0.000 0.965 193 K CA -2.052 54.249 56.287 0.024 0.000 0.860 193 K CB 1.162 33.676 32.500 0.024 0.000 1.423 193 K HN -0.209 nan 8.250 nan 0.000 0.438 194 P HA -0.036 nan 4.420 nan 0.000 0.265 194 P C -0.766 176.531 177.300 -0.004 0.000 1.187 194 P CA -0.435 62.667 63.100 0.004 0.000 0.766 194 P CB 0.524 32.227 31.700 0.004 0.000 0.820 195 V N 2.754 122.663 119.914 -0.008 0.000 2.583 195 V HA 0.564 4.685 4.120 0.001 0.000 0.287 195 V C 1.025 177.106 176.094 -0.022 0.000 1.051 195 V CA 0.554 62.846 62.300 -0.013 0.000 1.010 195 V CB 0.844 32.660 31.823 -0.011 0.000 0.988 195 V HN 0.825 nan 8.190 nan 0.000 0.478 196 G N 2.535 111.316 108.800 -0.033 0.000 2.730 196 G HA2 0.719 4.680 3.960 0.001 0.000 0.289 196 G HA3 0.719 4.680 3.960 0.001 0.000 0.289 196 G C -0.798 174.071 174.900 -0.052 0.000 1.341 196 G CA -0.455 44.617 45.100 -0.046 0.000 0.932 196 G HN 0.815 nan 8.290 nan 0.000 0.481 197 V N -2.302 117.576 119.914 -0.060 0.000 3.109 197 V HA 0.857 4.978 4.120 0.001 0.000 0.317 197 V C -0.272 175.761 176.094 -0.101 0.000 1.074 197 V CA -0.938 61.327 62.300 -0.060 0.000 1.033 197 V CB 1.433 33.231 31.823 -0.042 0.000 1.111 197 V HN 0.640 nan 8.190 nan 0.000 0.458 198 V N 0.950 120.816 119.914 -0.081 0.000 2.653 198 V HA 0.694 4.815 4.120 0.001 0.000 0.298 198 V C 0.249 176.340 176.094 -0.004 0.000 1.097 198 V CA -0.098 62.132 62.300 -0.116 0.000 0.908 198 V CB 1.240 32.990 31.823 -0.121 0.000 1.024 198 V HN 1.411 nan 8.190 nan 0.000 0.435 199 A N 2.743 125.582 122.820 0.031 0.000 2.371 199 A HA 0.553 4.873 4.320 0.001 0.000 0.257 199 A C -0.023 177.683 177.584 0.203 0.000 1.089 199 A CA -0.100 51.996 52.037 0.098 0.000 0.794 199 A CB 0.322 19.373 19.000 0.085 0.000 1.029 199 A HN 0.933 nan 8.150 nan 0.000 0.488 200 D N 0.515 120.995 120.400 0.133 0.000 2.424 200 D HA 0.400 5.041 4.640 0.001 0.000 0.244 200 D C 1.283 177.637 176.300 0.091 0.000 1.134 200 D CA 1.749 55.817 54.000 0.113 0.000 0.881 200 D CB 0.313 41.150 40.800 0.061 0.000 1.191 200 D HN 1.189 nan 8.370 nan 0.000 0.445 201 G N 3.494 112.315 108.800 0.035 0.000 2.147 201 G HA2 -0.258 3.703 3.960 0.001 0.000 0.244 201 G HA3 -0.258 3.703 3.960 0.001 0.000 0.244 201 G C 0.950 175.855 174.900 0.009 0.000 1.005 201 G CA 0.506 45.595 45.100 -0.018 0.000 0.713 201 G HN 0.695 nan 8.290 nan 0.000 0.515 202 W N -0.188 121.089 121.300 -0.038 0.000 2.476 202 W HA 0.026 4.687 4.660 0.001 0.000 0.281 202 W C 1.475 177.946 176.519 -0.080 0.000 1.230 202 W CA 1.190 58.508 57.345 -0.045 0.000 1.287 202 W CB -0.530 28.906 29.460 -0.040 0.000 1.108 202 W HN 0.382 nan 8.180 nan 0.000 0.567 203 Q N 1.503 120.603 119.800 -1.166 0.000 2.084 203 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 203 Q C 2.354 178.069 176.000 -0.475 0.000 0.978 203 Q CA 2.293 57.292 55.803 -1.340 0.000 0.844 203 Q CB -0.535 27.451 28.738 -1.254 0.000 0.898 203 Q HN 0.241 nan 8.270 nan 0.000 0.426 204 K N 0.072 120.317 120.400 -0.259 0.000 2.097 204 K HA -0.102 4.219 4.320 0.001 0.000 0.206 204 K C 1.890 178.499 176.600 0.015 0.000 1.049 204 K CA 1.197 57.440 56.287 -0.073 0.000 0.933 204 K CB -0.100 32.367 32.500 -0.054 0.000 0.717 204 K HN 0.230 nan 8.250 nan 0.000 0.442 205 A N 0.729 123.574 122.820 0.041 0.000 1.968 205 A HA 0.031 4.352 4.320 0.001 0.000 0.217 205 A C 2.190 179.880 177.584 0.177 0.000 1.169 205 A CA 1.377 53.474 52.037 0.098 0.000 0.638 205 A CB -0.413 18.647 19.000 0.099 0.000 0.812 205 A HN 0.408 nan 8.150 nan 0.000 0.446 206 A N -0.144 122.823 122.820 0.245 0.000 2.067 206 A HA -0.098 4.223 4.320 0.001 0.000 0.219 206 A C 1.585 179.430 177.584 0.436 0.000 1.158 206 A CA 1.681 53.991 52.037 0.455 0.000 0.661 206 A CB -0.336 19.013 19.000 0.581 0.000 0.801 206 A HN 0.431 nan 8.150 nan 0.000 0.452 207 D N -0.474 120.084 120.400 0.265 0.000 2.183 207 D HA -0.066 4.575 4.640 0.001 0.000 0.205 207 D C 2.075 178.482 176.300 0.177 0.000 0.962 207 D CA 0.927 55.046 54.000 0.199 0.000 0.849 207 D CB -0.358 40.518 40.800 0.128 0.000 0.978 207 D HN 0.571 nan 8.370 nan 0.000 0.488 208 Q N 0.347 120.243 119.800 0.159 0.000 2.226 208 Q HA -0.022 4.319 4.340 0.001 0.000 0.204 208 Q C 2.015 178.124 176.000 0.182 0.000 0.975 208 Q CA 1.135 57.020 55.803 0.137 0.000 0.866 208 Q CB 0.032 28.828 28.738 0.098 0.000 0.915 208 Q HN 0.192 nan 8.270 nan 0.000 0.440 209 A N 1.022 123.999 122.820 0.263 0.000 1.897 209 A HA 0.004 4.325 4.320 0.001 0.000 0.215 209 A C 2.301 180.168 177.584 0.472 0.000 1.181 209 A CA 1.245 53.487 52.037 0.341 0.000 0.620 209 A CB -0.627 18.602 19.000 0.382 0.000 0.821 209 A HN 0.364 nan 8.150 nan 0.000 0.443 210 A N 0.038 123.151 122.820 0.489 0.000 1.933 210 A HA 0.145 4.466 4.320 0.001 0.000 0.218 210 A C 2.456 180.214 177.584 0.291 0.000 1.175 210 A CA 2.032 54.172 52.037 0.173 0.000 0.628 210 A CB -0.934 17.936 19.000 -0.217 0.000 0.814 210 A HN 1.029 nan 8.150 nan 0.000 0.444 211 A N -0.297 122.667 122.820 0.239 0.000 1.933 211 A HA -0.029 4.292 4.320 0.001 0.000 0.218 211 A C 2.125 179.810 177.584 0.169 0.000 1.175 211 A CA 1.475 53.628 52.037 0.194 0.000 0.628 211 A CB -0.529 18.548 19.000 0.129 0.000 0.814 211 A HN 0.483 nan 8.150 nan 0.000 0.444 212 L N -1.149 120.184 121.223 0.184 0.000 2.156 212 L HA -0.092 4.249 4.340 0.001 0.000 0.208 212 L C 2.456 179.436 176.870 0.182 0.000 1.095 212 L CA 0.759 55.691 54.840 0.153 0.000 0.770 212 L CB -0.402 41.740 42.059 0.137 0.000 0.914 212 L HN 0.459 nan 8.230 nan 0.000 0.439 213 L N 0.109 121.500 121.223 0.280 0.000 2.156 213 L HA -0.047 4.294 4.340 0.001 0.000 0.208 213 L C 2.553 179.574 176.870 0.251 0.000 1.095 213 L CA 1.749 56.775 54.840 0.310 0.000 0.770 213 L CB -0.574 41.749 42.059 0.440 0.000 0.914 213 L HN 0.107 nan 8.230 nan 0.000 0.439 214 A N -0.228 122.725 122.820 0.222 0.000 1.855 214 A HA -0.114 4.207 4.320 0.001 0.000 0.215 214 A C 2.182 179.700 177.584 -0.111 0.000 1.191 214 A CA 1.694 53.612 52.037 -0.199 0.000 0.613 214 A CB -1.170 17.582 19.000 -0.413 0.000 0.829 214 A HN 0.500 nan 8.150 nan 0.000 0.442 215 E N -0.458 119.731 120.200 -0.018 0.000 2.485 215 E HA 0.526 4.877 4.350 0.001 0.000 0.194 215 E C 0.403 177.018 176.600 0.026 0.000 1.098 215 E CA 0.560 56.957 56.400 -0.006 0.000 0.878 215 E CB -0.927 28.780 29.700 0.013 0.000 0.939 215 E HN 1.024 nan 8.360 nan 0.000 0.503 216 A N -0.971 121.877 122.820 0.046 0.000 2.342 216 A HA 0.678 4.999 4.320 0.001 0.000 0.323 216 A C 1.325 178.959 177.584 0.083 0.000 1.125 216 A CA 0.197 52.278 52.037 0.074 0.000 0.785 216 A CB 1.425 20.483 19.000 0.096 0.000 1.221 216 A HN 0.438 nan 8.150 nan 0.000 0.463 217 K N 0.509 120.986 120.400 0.128 0.000 2.137 217 K HA 0.085 4.406 4.320 0.001 0.000 0.202 217 K C 0.591 177.292 176.600 0.168 0.000 1.052 217 K CA 1.518 57.915 56.287 0.183 0.000 0.961 217 K CB -0.257 32.429 32.500 0.310 0.000 0.741 217 K HN 0.870 nan 8.250 nan 0.000 0.452 218 H N 0.494 119.593 119.070 0.049 0.000 2.448 218 H HA 0.234 4.791 4.556 0.002 0.000 0.237 218 H C -2.799 172.561 175.328 0.052 0.000 1.391 218 H CA -1.934 54.153 56.048 0.066 0.000 1.477 218 H CB 1.679 31.456 29.762 0.024 0.000 1.520 218 H HN 0.297 nan 8.280 nan 0.000 0.502 219 P HA 0.185 nan 4.420 nan 0.000 0.278 219 P C -0.134 177.223 177.300 0.094 0.000 1.258 219 P CA -0.516 62.649 63.100 0.109 0.000 0.811 219 P CB 2.396 34.166 31.700 0.117 0.000 1.063 220 V N -1.796 118.156 119.914 0.064 0.000 3.114 220 V HA 0.551 4.672 4.120 0.001 0.000 0.308 220 V C -0.759 175.341 176.094 0.010 0.000 1.168 220 V CA -1.132 61.192 62.300 0.040 0.000 1.015 220 V CB 1.960 33.845 31.823 0.103 0.000 1.050 220 V HN 0.268 nan 8.190 nan 0.000 0.433 221 L N 2.492 123.715 121.223 -0.001 0.000 2.276 221 L HA 0.563 4.904 4.340 0.001 0.000 0.286 221 L C -0.615 176.268 176.870 0.021 0.000 1.024 221 L CA -0.733 54.106 54.840 -0.002 0.000 0.826 221 L CB 1.694 43.755 42.059 0.003 0.000 1.211 221 L HN 0.552 nan 8.230 nan 0.000 0.422 222 V N 4.958 124.879 119.914 0.012 0.000 2.353 222 V HA 0.234 4.355 4.120 0.001 0.000 0.264 222 V C 0.282 176.419 176.094 0.071 0.000 1.049 222 V CA -0.417 61.925 62.300 0.070 0.000 0.896 222 V CB 1.527 33.376 31.823 0.042 0.000 1.025 222 V HN 0.395 nan 8.190 nan 0.000 0.475 223 V N 4.574 124.536 119.914 0.080 0.000 2.435 223 V HA 0.804 4.925 4.120 0.001 0.000 0.290 223 V C 0.751 176.891 176.094 0.077 0.000 1.030 223 V CA -0.167 62.171 62.300 0.063 0.000 0.881 223 V CB 1.681 33.525 31.823 0.034 0.000 0.983 223 V HN 0.895 nan 8.190 nan 0.000 0.445 224 G N 2.020 110.860 108.800 0.067 0.000 2.537 224 G HA2 0.571 4.532 3.960 0.001 0.000 0.323 224 G HA3 0.571 4.532 3.960 0.001 0.000 0.323 224 G C 0.816 175.745 174.900 0.048 0.000 1.207 224 G CA -0.018 45.113 45.100 0.053 0.000 0.976 224 G HN 0.921 nan 8.290 nan 0.000 0.487 225 A N 0.023 122.888 122.820 0.073 0.000 2.024 225 A HA 0.135 4.456 4.320 0.001 0.000 0.220 225 A C 2.617 180.267 177.584 0.109 0.000 1.164 225 A CA 2.452 54.570 52.037 0.135 0.000 0.643 225 A CB -0.624 18.527 19.000 0.253 0.000 0.806 225 A HN 1.385 nan 8.150 nan 0.000 0.451 226 A N -0.154 122.702 122.820 0.061 0.000 1.972 226 A HA 0.140 4.461 4.320 0.001 0.000 0.219 226 A C 2.423 180.026 177.584 0.031 0.000 1.169 226 A CA 1.890 53.952 52.037 0.042 0.000 0.635 226 A CB -0.827 18.181 19.000 0.013 0.000 0.810 226 A HN 1.060 nan 8.150 nan 0.000 0.446 227 A N 0.052 122.886 122.820 0.023 0.000 1.972 227 A HA -0.063 4.258 4.320 0.001 0.000 0.219 227 A C 2.042 179.626 177.584 -0.000 0.000 1.169 227 A CA 1.466 53.510 52.037 0.012 0.000 0.635 227 A CB -0.579 18.428 19.000 0.012 0.000 0.810 227 A HN 0.530 nan 8.150 nan 0.000 0.446 228 I N -1.090 119.471 120.570 -0.015 0.000 2.315 228 I HA -0.224 3.947 4.170 0.001 0.000 0.248 228 I C 2.688 178.824 176.117 0.033 0.000 1.117 228 I CA 1.125 62.390 61.300 -0.058 0.000 1.404 228 I CB -0.351 37.500 38.000 -0.248 0.000 1.071 228 I HN 0.238 nan 8.210 nan 0.000 0.419 229 R N 0.067 120.623 120.500 0.092 0.000 2.115 229 R HA -0.096 4.245 4.340 0.001 0.000 0.230 229 R C 2.405 178.736 176.300 0.051 0.000 1.111 229 R CA 1.256 57.414 56.100 0.096 0.000 0.976 229 R CB -0.342 30.010 30.300 0.087 0.000 0.870 229 R HN 0.194 nan 8.270 nan 0.000 0.445 230 S N -0.516 115.202 115.700 0.031 0.000 2.547 230 S HA -0.015 4.456 4.470 0.001 0.000 0.235 230 S C 1.104 175.716 174.600 0.019 0.000 0.980 230 S CA 0.853 59.063 58.200 0.017 0.000 0.941 230 S CB -0.085 63.120 63.200 0.008 0.000 0.763 230 S HN 0.668 nan 8.310 nan 0.000 0.532 231 G N 0.306 109.117 108.800 0.019 0.000 2.160 231 G HA2 -0.252 3.709 3.960 0.001 0.000 0.251 231 G HA3 -0.252 3.709 3.960 0.001 0.000 0.251 231 G C 0.466 175.372 174.900 0.010 0.000 1.008 231 G CA 0.325 45.434 45.100 0.014 0.000 0.724 231 G HN 0.837 nan 8.290 nan 0.000 0.514 232 A N -0.873 121.952 122.820 0.008 0.000 2.337 232 A HA 0.648 4.969 4.320 0.001 0.000 0.227 232 A C 2.097 179.684 177.584 0.005 0.000 1.259 232 A CA 1.298 53.345 52.037 0.016 0.000 0.870 232 A CB 0.151 19.171 19.000 0.033 0.000 0.927 232 A HN 0.838 nan 8.150 nan 0.000 0.497 233 V N 0.796 120.701 119.914 -0.015 0.000 2.255 233 V HA -0.111 4.009 4.120 0.001 0.000 0.243 233 V C -0.046 176.037 176.094 -0.019 0.000 1.038 233 V CA 2.289 64.571 62.300 -0.030 0.000 1.008 233 V CB -1.339 30.447 31.823 -0.061 0.000 0.645 233 V HN 0.338 nan 8.190 nan 0.000 0.449 234 P HA -0.261 nan 4.420 nan 0.000 0.217 234 P C 1.685 178.988 177.300 0.004 0.000 1.162 234 P CA 2.461 65.560 63.100 -0.002 0.000 0.901 234 P CB -0.214 31.488 31.700 0.004 0.000 0.793 235 A N -1.233 121.593 122.820 0.009 0.000 1.933 235 A HA -0.186 4.135 4.320 0.001 0.000 0.218 235 A C 2.239 179.834 177.584 0.019 0.000 1.175 235 A CA 1.567 53.613 52.037 0.016 0.000 0.628 235 A CB -1.594 17.419 19.000 0.022 0.000 0.814 235 A HN 0.143 nan 8.150 nan 0.000 0.444 236 I N -1.311 119.270 120.570 0.018 0.000 2.315 236 I HA -0.207 3.964 4.170 0.001 0.000 0.248 236 I C 2.646 178.765 176.117 0.004 0.000 1.117 236 I CA 1.374 62.686 61.300 0.021 0.000 1.404 236 I CB -0.256 37.754 38.000 0.016 0.000 1.071 236 I HN 0.360 nan 8.210 nan 0.000 0.419 237 R N 1.248 121.739 120.500 -0.014 0.000 2.082 237 R HA -0.226 4.115 4.340 0.001 0.000 0.234 237 R C 2.429 178.736 176.300 0.011 0.000 1.136 237 R CA 1.938 58.021 56.100 -0.029 0.000 0.935 237 R CB -0.409 29.872 30.300 -0.031 0.000 0.842 237 R HN 0.341 nan 8.270 nan 0.000 0.430 238 A N 0.887 123.719 122.820 0.020 0.000 1.927 238 A HA -0.224 4.097 4.320 0.001 0.000 0.220 238 A C 2.099 179.700 177.584 0.029 0.000 1.185 238 A CA 1.758 53.811 52.037 0.027 0.000 0.639 238 A CB -0.721 18.290 19.000 0.018 0.000 0.820 238 A HN 0.446 nan 8.150 nan 0.000 0.451 239 L N -0.988 120.255 121.223 0.032 0.000 2.156 239 L HA 0.073 4.414 4.340 0.001 0.000 0.208 239 L C 2.589 179.492 176.870 0.056 0.000 1.095 239 L CA 1.859 56.727 54.840 0.047 0.000 0.770 239 L CB -0.427 41.681 42.059 0.082 0.000 0.914 239 L HN 0.326 nan 8.230 nan 0.000 0.439 240 A N -0.836 122.010 122.820 0.044 0.000 1.898 240 A HA -0.131 4.190 4.320 0.001 0.000 0.214 240 A C 2.131 179.748 177.584 0.055 0.000 1.183 240 A CA 1.345 53.404 52.037 0.037 0.000 0.622 240 A CB -0.482 18.518 19.000 -0.001 0.000 0.824 240 A HN 0.526 nan 8.150 nan 0.000 0.444 241 E N -0.565 119.678 120.200 0.072 0.000 2.023 241 E HA -0.228 4.123 4.350 0.001 0.000 0.196 241 E C 2.316 178.951 176.600 0.058 0.000 1.003 241 E CA 1.386 57.841 56.400 0.093 0.000 0.809 241 E CB -0.217 29.548 29.700 0.109 0.000 0.755 241 E HN 0.567 nan 8.360 nan 0.000 0.449 242 R N 0.662 121.188 120.500 0.044 0.000 2.105 242 R HA -0.112 4.229 4.340 0.001 0.000 0.239 242 R C 1.834 178.157 176.300 0.037 0.000 1.135 242 R CA 1.141 57.260 56.100 0.031 0.000 0.967 242 R CB -0.005 30.305 30.300 0.017 0.000 0.861 242 R HN 0.185 nan 8.270 nan 0.000 0.442 243 L N 0.174 121.425 121.223 0.047 0.000 2.640 243 L HA 0.120 4.461 4.340 0.001 0.000 0.230 243 L C 0.161 177.061 176.870 0.051 0.000 1.123 243 L CA -0.089 54.787 54.840 0.060 0.000 0.900 243 L CB 0.069 42.177 42.059 0.083 0.000 1.146 243 L HN 0.323 nan 8.230 nan 0.000 0.484 244 N N 1.080 119.805 118.700 0.042 0.000 2.747 244 N HA -0.211 4.530 4.740 0.001 0.000 0.249 244 N C -0.412 175.105 175.510 0.012 0.000 1.107 244 N CA 0.458 53.526 53.050 0.032 0.000 0.707 244 N CB -1.344 37.156 38.487 0.022 0.000 1.054 244 N HN 0.321 nan 8.380 nan 0.000 0.555 245 I N 0.516 121.093 120.570 0.013 0.000 2.365 245 I HA 0.336 4.507 4.170 0.001 0.000 0.291 245 I C -1.793 174.261 176.117 -0.105 0.000 1.004 245 I CA -1.983 59.306 61.300 -0.018 0.000 1.311 245 I CB 1.077 39.096 38.000 0.032 0.000 1.401 245 I HN -0.010 nan 8.210 nan 0.000 0.491 246 P HA 0.086 nan 4.420 nan 0.000 0.271 246 P C -0.755 176.361 177.300 -0.306 0.000 1.218 246 P CA -0.186 62.581 63.100 -0.555 0.000 0.780 246 P CB 0.673 31.612 31.700 -1.268 0.000 0.901 247 V N 5.005 124.775 119.914 -0.240 0.000 2.293 247 V HA 0.297 4.418 4.120 0.001 0.000 0.275 247 V C 0.378 176.461 176.094 -0.019 0.000 1.021 247 V CA -0.301 61.944 62.300 -0.092 0.000 0.815 247 V CB 0.309 32.088 31.823 -0.072 0.000 1.025 247 V HN 0.398 nan 8.190 nan 0.000 0.448 248 I N 4.764 125.355 120.570 0.036 0.000 2.428 248 I HA 0.561 4.732 4.170 0.001 0.000 0.296 248 I C 0.724 176.923 176.117 0.137 0.000 0.985 248 I CA 0.013 61.388 61.300 0.125 0.000 1.260 248 I CB 2.072 40.194 38.000 0.203 0.000 1.389 248 I HN 0.694 nan 8.210 nan 0.000 0.484 249 T N 0.373 115.015 114.554 0.147 0.000 2.926 249 T HA 0.589 4.940 4.350 0.001 0.000 0.289 249 T C 0.105 174.912 174.700 0.178 0.000 1.054 249 T CA -0.753 61.431 62.100 0.140 0.000 1.015 249 T CB 1.645 70.580 68.868 0.112 0.000 1.167 249 T HN 0.650 nan 8.240 nan 0.000 0.526 250 T N -0.462 114.181 114.554 0.148 0.000 2.770 250 T HA 0.255 4.606 4.350 0.001 0.000 0.281 250 T C 0.873 175.714 174.700 0.236 0.000 0.981 250 T CA -0.523 61.645 62.100 0.113 0.000 0.955 250 T CB -0.081 68.793 68.868 0.011 0.000 1.060 250 T HN 0.527 nan 8.240 nan 0.000 0.531 251 Y N 0.458 120.842 120.300 0.140 0.000 2.207 251 Y HA 0.001 4.552 4.550 0.001 0.000 0.287 251 Y C 2.305 178.369 175.900 0.274 0.000 1.156 251 Y CA 0.721 58.941 58.100 0.200 0.000 1.182 251 Y CB -1.195 37.376 38.460 0.184 0.000 0.979 251 Y HN 0.663 nan 8.280 nan 0.000 0.521 252 I N -3.565 117.214 120.570 0.348 0.000 3.968 252 I HA 0.435 4.606 4.170 0.001 0.000 0.328 252 I C 1.798 178.085 176.117 0.284 0.000 1.290 252 I CA 0.665 62.168 61.300 0.338 0.000 1.163 252 I CB -0.240 37.937 38.000 0.295 0.000 1.024 252 I HN -0.044 nan 8.210 nan 0.000 0.413 253 A N 1.243 124.175 122.820 0.187 0.000 2.238 253 A HA 0.137 4.458 4.320 0.001 0.000 0.208 253 A C 1.017 178.642 177.584 0.068 0.000 1.177 253 A CA -0.055 52.027 52.037 0.074 0.000 0.804 253 A CB -0.419 18.617 19.000 0.060 0.000 0.823 253 A HN 0.376 nan 8.150 nan 0.000 0.482 254 K N -0.265 120.221 120.400 0.142 0.000 2.504 254 K HA 0.239 4.560 4.320 0.001 0.000 0.278 254 K C 1.113 177.761 176.600 0.080 0.000 1.025 254 K CA 0.936 57.295 56.287 0.120 0.000 1.093 254 K CB -0.041 32.561 32.500 0.170 0.000 0.873 254 K HN 0.638 nan 8.250 nan 0.000 0.483 255 G N 1.065 109.888 108.800 0.038 0.000 2.159 255 G HA2 -0.280 3.681 3.960 0.001 0.000 0.227 255 G HA3 -0.280 3.681 3.960 0.001 0.000 0.227 255 G C 0.636 175.515 174.900 -0.035 0.000 0.986 255 G CA 0.158 45.265 45.100 0.012 0.000 0.651 255 G HN 0.545 nan 8.290 nan 0.000 0.523 256 V N -1.827 118.056 119.914 -0.052 0.000 2.759 256 V HA 0.425 4.546 4.120 0.001 0.000 0.256 256 V C 1.242 177.287 176.094 -0.082 0.000 1.080 256 V CA 1.348 63.602 62.300 -0.076 0.000 1.101 256 V CB -0.268 31.513 31.823 -0.071 0.000 0.698 256 V HN 0.431 nan 8.190 nan 0.000 0.477 257 L N 0.844 122.016 121.223 -0.085 0.000 2.346 257 L HA 0.584 4.925 4.340 0.001 0.000 0.274 257 L C -2.486 174.362 176.870 -0.037 0.000 1.007 257 L CA -2.169 52.592 54.840 -0.133 0.000 0.818 257 L CB 2.086 43.986 42.059 -0.265 0.000 1.284 257 L HN 0.001 nan 8.230 nan 0.000 0.424 258 P HA 0.043 nan 4.420 nan 0.000 0.271 258 P C -0.583 176.766 177.300 0.083 0.000 1.233 258 P CA -0.397 62.738 63.100 0.058 0.000 0.789 258 P CB 0.464 32.217 31.700 0.088 0.000 0.951 259 V N 1.415 121.369 119.914 0.067 0.000 2.585 259 V HA 0.308 4.429 4.120 0.001 0.000 0.296 259 V C 1.678 177.817 176.094 0.076 0.000 1.035 259 V CA 1.834 64.174 62.300 0.065 0.000 1.084 259 V CB -0.441 31.411 31.823 0.048 0.000 0.953 259 V HN 1.052 nan 8.190 nan 0.000 0.483 260 G N 2.855 111.703 108.800 0.080 0.000 2.308 260 G HA2 -0.247 3.714 3.960 0.001 0.000 0.221 260 G HA3 -0.247 3.714 3.960 0.001 0.000 0.221 260 G C 0.431 175.388 174.900 0.095 0.000 1.032 260 G CA 0.195 45.335 45.100 0.067 0.000 0.623 260 G HN 0.928 nan 8.290 nan 0.000 0.506 261 H N 2.940 122.028 119.070 0.030 0.000 3.195 261 H HA 0.049 4.605 4.556 0.001 0.000 0.302 261 H C 1.913 177.273 175.328 0.053 0.000 0.950 261 H CA 1.390 57.460 56.048 0.036 0.000 1.398 261 H CB 0.660 30.443 29.762 0.035 0.000 1.377 261 H HN 0.700 nan 8.280 nan 0.000 0.572 262 E N 4.997 125.242 120.200 0.075 0.000 2.265 262 E HA -0.133 4.218 4.350 0.001 0.000 0.196 262 E C 0.927 177.705 176.600 0.297 0.000 0.996 262 E CA 0.888 57.365 56.400 0.129 0.000 0.832 262 E CB 0.051 29.764 29.700 0.021 0.000 0.756 262 E HN 0.697 nan 8.360 nan 0.000 0.491 263 L N 0.949 122.451 121.223 0.464 0.000 2.592 263 L HA 0.124 4.465 4.340 0.001 0.000 0.227 263 L C 1.017 178.006 176.870 0.199 0.000 1.127 263 L CA -0.337 54.667 54.840 0.273 0.000 0.884 263 L CB -0.134 42.029 42.059 0.174 0.000 1.065 263 L HN 0.007 nan 8.230 nan 0.000 0.457 264 N N 0.274 119.125 118.700 0.252 0.000 2.466 264 N HA -0.075 4.665 4.740 0.001 0.000 0.263 264 N C 0.191 175.875 175.510 0.290 0.000 1.178 264 N CA 0.093 53.248 53.050 0.174 0.000 0.983 264 N CB 0.230 38.794 38.487 0.128 0.000 1.331 264 N HN 0.050 nan 8.380 nan 0.000 0.500 265 Y N 1.838 122.135 120.300 -0.005 0.000 2.462 265 Y HA 0.229 4.780 4.550 0.001 0.000 0.293 265 Y C 1.789 177.673 175.900 -0.027 0.000 1.195 265 Y CA 0.104 58.187 58.100 -0.030 0.000 1.276 265 Y CB -0.499 37.927 38.460 -0.057 0.000 1.082 265 Y HN 0.625 nan 8.280 nan 0.000 0.514 266 G N 0.322 109.197 108.800 0.125 0.000 2.693 266 G HA2 0.046 4.007 3.960 0.001 0.000 0.226 266 G HA3 0.046 4.007 3.960 0.001 0.000 0.226 266 G C -0.438 174.511 174.900 0.081 0.000 1.354 266 G CA -0.565 44.572 45.100 0.063 0.000 0.873 266 G HN 0.626 nan 8.290 nan 0.000 0.562 267 A N -1.360 121.492 122.820 0.053 0.000 2.337 267 A HA 0.857 5.178 4.320 0.001 0.000 0.331 267 A C 0.095 177.758 177.584 0.131 0.000 1.137 267 A CA 0.092 52.196 52.037 0.112 0.000 0.807 267 A CB 1.849 20.911 19.000 0.104 0.000 1.250 267 A HN 1.865 nan 8.150 nan 0.000 0.468 268 V N 0.697 120.751 119.914 0.232 0.000 2.612 268 V HA 0.797 4.918 4.120 0.001 0.000 0.301 268 V C 0.394 176.692 176.094 0.341 0.000 1.046 268 V CA -0.015 62.446 62.300 0.268 0.000 0.946 268 V CB 1.604 33.637 31.823 0.350 0.000 1.003 268 V HN 1.089 nan 8.190 nan 0.000 0.459 269 T N 1.723 116.445 114.554 0.280 0.000 3.097 269 T HA 0.439 4.790 4.350 0.001 0.000 0.332 269 T C 0.893 175.713 174.700 0.201 0.000 1.269 269 T CA 0.193 62.508 62.100 0.358 0.000 1.076 269 T CB 1.467 70.528 68.868 0.323 0.000 1.209 269 T HN 0.900 nan 8.240 nan 0.000 0.474 270 G N 1.584 110.469 108.800 0.142 0.000 2.586 270 G HA2 -0.055 3.905 3.960 0.001 0.000 0.215 270 G HA3 -0.055 3.905 3.960 0.001 0.000 0.215 270 G C 0.613 175.460 174.900 -0.088 0.000 1.128 270 G CA 0.537 45.626 45.100 -0.018 0.000 0.774 270 G HN 0.801 nan 8.290 nan 0.000 0.543 271 Y N 0.378 120.645 120.300 -0.055 0.000 2.490 271 Y HA 0.155 4.706 4.550 0.002 0.000 0.281 271 Y C 2.780 178.674 175.900 -0.009 0.000 1.174 271 Y CA 0.506 58.622 58.100 0.026 0.000 1.295 271 Y CB -0.021 38.287 38.460 -0.254 0.000 1.062 271 Y HN 0.288 nan 8.280 nan 0.000 0.522 272 M N -1.593 118.037 119.600 0.051 0.000 2.236 272 M HA -0.054 4.427 4.480 0.001 0.000 0.266 272 M C 0.922 177.178 176.300 -0.073 0.000 1.070 272 M CA 1.730 56.991 55.300 -0.064 0.000 1.137 272 M CB -0.260 32.308 32.600 -0.054 0.000 1.378 272 M HN -0.081 nan 8.290 nan 0.000 0.426 273 D N 1.523 121.891 120.400 -0.053 0.000 2.097 273 D HA -0.054 4.587 4.640 0.001 0.000 0.195 273 D C 2.298 178.486 176.300 -0.188 0.000 0.989 273 D CA 2.025 55.986 54.000 -0.064 0.000 0.827 273 D CB -0.616 40.139 40.800 -0.074 0.000 0.966 273 D HN 0.582 nan 8.370 nan 0.000 0.456 274 G N 0.276 108.806 108.800 -0.451 0.000 2.422 274 G HA2 -0.198 3.762 3.960 0.001 0.000 0.218 274 G HA3 -0.198 3.762 3.960 0.001 0.000 0.218 274 G C 1.751 176.395 174.900 -0.427 0.000 1.146 274 G CA 0.338 44.819 45.100 -1.033 0.000 0.769 274 G HN 0.272 nan 8.290 nan 0.000 0.547 275 I N -0.019 120.478 120.570 -0.121 0.000 2.406 275 I HA 0.017 4.188 4.170 0.001 0.000 0.249 275 I C 2.343 178.415 176.117 -0.074 0.000 1.122 275 I CA 0.595 61.873 61.300 -0.038 0.000 1.431 275 I CB 0.008 37.782 38.000 -0.377 0.000 1.087 275 I HN 0.096 nan 8.210 nan 0.000 0.424 276 L N -0.027 121.130 121.223 -0.111 0.000 2.509 276 L HA 0.052 4.393 4.340 0.001 0.000 0.222 276 L C 0.559 177.593 176.870 0.273 0.000 1.123 276 L CA 0.090 54.945 54.840 0.026 0.000 0.856 276 L CB -0.344 41.690 42.059 -0.041 0.000 0.985 276 L HN 0.318 nan 8.230 nan 0.000 0.456 277 N N 0.468 119.267 118.700 0.164 0.000 2.725 277 N HA -0.279 4.462 4.740 0.001 0.000 0.251 277 N C -0.779 174.864 175.510 0.221 0.000 1.031 277 N CA 0.750 53.892 53.050 0.153 0.000 0.720 277 N CB -0.949 37.647 38.487 0.181 0.000 0.930 277 N HN 0.310 nan 8.380 nan 0.000 0.543 278 F N -0.432 119.517 119.950 -0.003 0.000 2.665 278 F HA 0.423 4.951 4.527 0.002 0.000 0.308 278 F C -2.337 173.455 175.800 -0.015 0.000 1.112 278 F CA -1.545 56.459 58.000 0.007 0.000 0.972 278 F CB 1.786 40.806 39.000 0.034 0.000 1.295 278 F HN -0.117 nan 8.300 nan 0.000 0.440 279 P HA 0.233 nan 4.420 nan 0.000 0.231 279 P C -0.227 177.112 177.300 0.065 0.000 1.811 279 P CA 0.246 63.263 63.100 -0.138 0.000 1.051 279 P CB 0.574 32.126 31.700 -0.247 0.000 1.951 280 A N 2.663 125.649 122.820 0.277 0.000 1.897 280 A HA -0.075 4.246 4.320 0.001 0.000 0.215 280 A C 2.042 179.730 177.584 0.174 0.000 1.181 280 A CA 0.980 53.204 52.037 0.311 0.000 0.620 280 A CB -1.019 18.105 19.000 0.206 0.000 0.821 280 A HN 0.344 nan 8.150 nan 0.000 0.443 281 L N -0.920 120.400 121.223 0.163 0.000 2.056 281 L HA -0.218 4.123 4.340 0.001 0.000 0.207 281 L C 2.867 179.880 176.870 0.238 0.000 1.078 281 L CA 1.611 56.595 54.840 0.241 0.000 0.749 281 L CB -0.523 41.683 42.059 0.245 0.000 0.901 281 L HN 0.535 nan 8.230 nan 0.000 0.433 282 Q N -0.310 119.579 119.800 0.148 0.000 2.112 282 Q HA -0.230 4.111 4.340 0.001 0.000 0.206 282 Q C 2.071 178.140 176.000 0.115 0.000 0.987 282 Q CA 2.393 58.263 55.803 0.111 0.000 0.858 282 Q CB -0.012 28.746 28.738 0.033 0.000 0.905 282 Q HN 0.468 nan 8.270 nan 0.000 0.420 283 T N 0.521 115.146 114.554 0.117 0.000 2.777 283 T HA -0.156 4.195 4.350 0.001 0.000 0.266 283 T C 1.620 176.402 174.700 0.137 0.000 1.040 283 T CA 1.433 63.615 62.100 0.137 0.000 1.141 283 T CB -0.145 68.847 68.868 0.207 0.000 0.868 283 T HN 0.267 nan 8.240 nan 0.000 0.444 284 M N -0.223 119.399 119.600 0.036 0.000 2.254 284 M HA 0.119 4.600 4.480 0.001 0.000 0.265 284 M C 0.630 176.803 176.300 -0.213 0.000 1.066 284 M CA 1.635 56.836 55.300 -0.165 0.000 1.123 284 M CB 0.029 32.312 32.600 -0.527 0.000 1.388 284 M HN 0.193 nan 8.290 nan 0.000 0.425 285 F N -2.037 118.032 119.950 0.199 0.000 2.831 285 F HA 0.464 4.992 4.527 0.001 0.000 0.334 285 F C 1.907 177.720 175.800 0.021 0.000 1.071 285 F CA 0.067 58.136 58.000 0.114 0.000 1.172 285 F CB -0.951 38.145 39.000 0.161 0.000 1.054 285 F HN 0.056 nan 8.300 nan 0.000 0.572 286 A N 1.735 124.654 122.820 0.165 0.000 1.873 286 A HA -0.131 4.190 4.320 0.001 0.000 0.218 286 A C -0.310 177.270 177.584 -0.006 0.000 1.193 286 A CA 2.144 54.229 52.037 0.080 0.000 0.629 286 A CB -1.937 17.096 19.000 0.056 0.000 0.826 286 A HN 0.203 nan 8.150 nan 0.000 0.447 287 P HA 0.169 nan 4.420 nan 0.000 0.251 287 P C 0.131 177.259 177.300 -0.287 0.000 1.223 287 P CA 0.144 63.111 63.100 -0.222 0.000 0.796 287 P CB -0.081 31.452 31.700 -0.279 0.000 1.068 288 V N 3.466 123.230 119.914 -0.250 0.000 2.788 288 V HA -0.042 4.079 4.120 0.001 0.000 0.307 288 V C 1.539 177.621 176.094 -0.019 0.000 1.069 288 V CA 1.407 63.639 62.300 -0.114 0.000 1.173 288 V CB 0.275 32.119 31.823 0.035 0.000 0.925 288 V HN 0.244 nan 8.190 nan 0.000 0.492 289 D N 2.216 122.629 120.400 0.021 0.000 2.500 289 D HA 0.178 4.819 4.640 0.001 0.000 0.218 289 D C -0.198 176.120 176.300 0.029 0.000 1.140 289 D CA -0.134 53.881 54.000 0.026 0.000 0.830 289 D CB 0.577 41.394 40.800 0.029 0.000 1.055 289 D HN 0.326 nan 8.370 nan 0.000 0.512 290 L N 1.084 122.323 121.223 0.028 0.000 2.476 290 L HA 0.527 4.868 4.340 0.001 0.000 0.269 290 L C -1.797 175.044 176.870 -0.049 0.000 0.965 290 L CA -0.819 54.023 54.840 0.004 0.000 0.845 290 L CB 2.292 44.383 42.059 0.054 0.000 1.259 290 L HN -0.171 nan 8.230 nan 0.000 0.403 291 V N 6.174 125.985 119.914 -0.172 0.000 2.384 291 V HA 0.482 4.603 4.120 0.001 0.000 0.287 291 V C -0.418 175.495 176.094 -0.301 0.000 1.020 291 V CA -0.427 61.677 62.300 -0.327 0.000 0.850 291 V CB 1.486 32.827 31.823 -0.804 0.000 0.987 291 V HN 0.568 nan 8.190 nan 0.000 0.436 292 L N 4.901 125.998 121.223 -0.209 0.000 2.277 292 L HA 0.423 4.764 4.340 0.001 0.000 0.284 292 L C 0.733 177.490 176.870 -0.189 0.000 1.028 292 L CA -0.077 54.656 54.840 -0.177 0.000 0.835 292 L CB 1.679 43.674 42.059 -0.108 0.000 1.215 292 L HN 0.795 nan 8.230 nan 0.000 0.425 293 T N 0.360 114.788 114.554 -0.210 0.000 2.863 293 T HA 0.383 4.734 4.350 0.001 0.000 0.299 293 T C 0.063 174.751 174.700 -0.021 0.000 0.973 293 T CA -0.674 61.366 62.100 -0.100 0.000 0.994 293 T CB 0.047 68.840 68.868 -0.127 0.000 0.961 293 T HN 0.134 nan 8.240 nan 0.000 0.552 294 V N 3.705 123.607 119.914 -0.021 0.000 2.372 294 V HA 0.565 4.685 4.120 0.001 0.000 0.261 294 V C 1.423 177.526 176.094 0.017 0.000 1.055 294 V CA 0.167 62.442 62.300 -0.041 0.000 0.930 294 V CB -0.151 31.667 31.823 -0.008 0.000 1.031 294 V HN 1.275 nan 8.190 nan 0.000 0.479 295 G N 3.956 112.756 108.800 0.000 0.000 2.256 295 G HA2 -0.306 3.655 3.960 0.001 0.000 0.272 295 G HA3 -0.306 3.655 3.960 0.001 0.000 0.272 295 G C -0.213 174.739 174.900 0.087 0.000 1.076 295 G CA -0.138 44.977 45.100 0.027 0.000 0.882 295 G HN 0.846 nan 8.290 nan 0.000 0.497 296 Y N 0.958 121.268 120.300 0.017 0.000 2.610 296 Y HA 0.460 5.011 4.550 0.002 0.000 0.332 296 Y C 0.224 176.180 175.900 0.094 0.000 1.201 296 Y CA 0.259 58.413 58.100 0.091 0.000 1.465 296 Y CB 1.081 39.660 38.460 0.198 0.000 1.283 296 Y HN 0.234 nan 8.280 nan 0.000 0.563 297 D N 4.786 124.735 120.400 -0.751 0.000 2.470 297 D HA 0.005 4.646 4.640 0.001 0.000 0.233 297 D C -0.145 175.763 176.300 -0.653 0.000 1.372 297 D CA -0.480 53.217 54.000 -0.506 0.000 0.994 297 D CB 0.205 40.870 40.800 -0.226 0.000 1.377 297 D HN 0.581 nan 8.370 nan 0.000 0.586 298 Y N 3.497 123.435 120.300 -0.604 0.000 2.298 298 Y HA -0.137 4.414 4.550 0.001 0.000 0.287 298 Y C 1.922 177.699 175.900 -0.204 0.000 1.164 298 Y CA 2.128 60.048 58.100 -0.301 0.000 1.229 298 Y CB -0.043 38.403 38.460 -0.023 0.000 0.977 298 Y HN 0.527 nan 8.280 nan 0.000 0.538 299 A N -0.179 122.549 122.820 -0.154 0.000 2.070 299 A HA -0.179 4.142 4.320 0.001 0.000 0.220 299 A C 2.047 179.490 177.584 -0.235 0.000 1.159 299 A CA 1.653 53.578 52.037 -0.186 0.000 0.656 299 A CB -0.562 18.374 19.000 -0.106 0.000 0.800 299 A HN 0.613 nan 8.150 nan 0.000 0.453 300 E N -1.498 118.545 120.200 -0.262 0.000 2.418 300 E HA -0.075 4.275 4.350 0.001 0.000 0.197 300 E C -0.010 176.345 176.600 -0.409 0.000 1.026 300 E CA 0.453 56.671 56.400 -0.304 0.000 0.862 300 E CB 0.010 29.558 29.700 -0.253 0.000 0.799 300 E HN 0.506 nan 8.360 nan 0.000 0.518 301 D N -0.409 119.784 120.400 -0.346 0.000 3.051 301 D HA -0.153 4.488 4.640 0.001 0.000 0.218 301 D C -1.237 174.951 176.300 -0.186 0.000 1.129 301 D CA 0.212 54.029 54.000 -0.304 0.000 0.868 301 D CB -0.931 39.734 40.800 -0.226 0.000 1.100 301 D HN 0.068 nan 8.370 nan 0.000 0.429 302 L N 1.426 122.583 121.223 -0.109 0.000 2.297 302 L HA 0.478 4.819 4.340 0.001 0.000 0.277 302 L C -0.078 176.861 176.870 0.116 0.000 1.040 302 L CA -0.232 54.638 54.840 0.049 0.000 0.867 302 L CB 0.425 42.568 42.059 0.141 0.000 1.244 302 L HN 0.015 nan 8.230 nan 0.000 0.433 303 R N 5.104 125.572 120.500 -0.053 0.000 2.536 303 R HA 0.418 4.759 4.340 0.001 0.000 0.279 303 R C -1.672 174.198 176.300 -0.716 0.000 1.001 303 R CA -1.729 54.291 56.100 -0.134 0.000 1.027 303 R CB 0.493 30.752 30.300 -0.069 0.000 1.096 303 R HN 0.325 nan 8.270 nan 0.000 0.502 304 P HA -0.245 nan 4.420 nan 0.000 0.217 304 P C 1.157 177.622 177.300 -1.392 0.000 1.148 304 P CA 1.600 63.463 63.100 -2.061 0.000 0.834 304 P CB 0.146 31.202 31.700 -1.074 0.000 0.783 305 S N -1.986 113.297 115.700 -0.696 0.000 2.447 305 S HA -0.109 4.362 4.470 0.001 0.000 0.233 305 S C 1.802 176.182 174.600 -0.367 0.000 1.006 305 S CA 1.021 58.968 58.200 -0.422 0.000 0.957 305 S CB -1.171 61.886 63.200 -0.238 0.000 0.773 305 S HN 0.114 nan 8.310 nan 0.000 0.507 306 M N -0.011 119.342 119.600 -0.412 0.000 2.388 306 M HA 0.148 4.629 4.480 0.001 0.000 0.265 306 M C 1.808 177.944 176.300 -0.275 0.000 1.088 306 M CA 1.063 56.233 55.300 -0.218 0.000 1.134 306 M CB -0.311 32.225 32.600 -0.107 0.000 1.384 306 M HN 0.767 nan 8.290 nan 0.000 0.447 307 W N -0.060 120.916 121.300 -0.540 0.000 3.211 307 W HA 0.242 4.903 4.660 0.001 0.000 0.292 307 W C 0.141 176.404 176.519 -0.426 0.000 1.268 307 W CA -0.314 56.427 57.345 -1.008 0.000 1.702 307 W CB -0.694 28.022 29.460 -1.240 0.000 1.092 307 W HN -0.006 nan 8.180 nan 0.000 0.643 308 Q N 2.516 122.183 119.800 -0.221 0.000 3.184 308 Q HA 0.128 4.469 4.340 0.001 0.000 0.288 308 Q C -0.307 175.688 176.000 -0.009 0.000 1.412 308 Q CA 0.350 56.119 55.803 -0.057 0.000 0.991 308 Q CB -0.027 28.613 28.738 -0.165 0.000 1.688 308 Q HN -0.085 nan 8.270 nan 0.000 0.554 309 K N 0.433 120.877 120.400 0.074 0.000 2.221 309 K HA 0.605 4.926 4.320 0.001 0.000 0.258 309 K C 0.519 177.170 176.600 0.085 0.000 0.944 309 K CA 0.019 56.359 56.287 0.089 0.000 0.823 309 K CB 1.964 34.559 32.500 0.159 0.000 1.113 309 K HN 0.476 nan 8.250 nan 0.000 0.431 310 G N 2.626 111.454 108.800 0.048 0.000 2.552 310 G HA2 -0.296 3.665 3.960 0.001 0.000 0.267 310 G HA3 -0.296 3.665 3.960 0.001 0.000 0.267 310 G C -0.038 174.876 174.900 0.023 0.000 1.174 310 G CA -0.055 45.063 45.100 0.032 0.000 0.955 310 G HN 0.696 nan 8.290 nan 0.000 0.546 311 I N 0.389 120.971 120.570 0.019 0.000 2.529 311 I HA 0.685 4.856 4.170 0.001 0.000 0.284 311 I C 0.882 177.018 176.117 0.032 0.000 1.082 311 I CA 0.175 61.484 61.300 0.015 0.000 1.406 311 I CB 0.478 38.479 38.000 0.001 0.000 1.405 311 I HN 1.131 nan 8.210 nan 0.000 0.548 312 E N 5.036 125.254 120.200 0.030 0.000 2.820 312 E HA 0.022 4.372 4.350 0.001 0.000 0.251 312 E C -0.378 176.251 176.600 0.048 0.000 0.944 312 E CA 0.192 56.618 56.400 0.043 0.000 0.955 312 E CB -0.267 29.453 29.700 0.034 0.000 0.904 312 E HN 0.666 nan 8.360 nan 0.000 0.513 313 K N 2.107 122.549 120.400 0.070 0.000 2.098 313 K HA 0.413 4.734 4.320 0.001 0.000 0.261 313 K C 0.125 176.753 176.600 0.047 0.000 0.987 313 K CA -0.788 55.528 56.287 0.050 0.000 0.916 313 K CB 1.245 33.765 32.500 0.034 0.000 1.039 313 K HN 0.374 nan 8.250 nan 0.000 0.455 314 K N 1.030 121.445 120.400 0.025 0.000 2.126 314 K HA 0.333 4.654 4.320 0.001 0.000 0.257 314 K C -0.240 176.355 176.600 -0.008 0.000 1.007 314 K CA -0.270 56.032 56.287 0.026 0.000 0.928 314 K CB 1.357 33.875 32.500 0.031 0.000 1.013 314 K HN 0.890 nan 8.250 nan 0.000 0.473 315 T N -2.461 112.098 114.554 0.008 0.000 2.912 315 T HA 0.564 4.915 4.350 0.001 0.000 0.299 315 T C -0.551 174.134 174.700 -0.025 0.000 1.052 315 T CA -0.883 61.199 62.100 -0.030 0.000 0.996 315 T CB 1.351 70.285 68.868 0.109 0.000 1.070 315 T HN 0.097 nan 8.240 nan 0.000 0.465 316 V N 2.414 122.284 119.914 -0.073 0.000 2.487 316 V HA 0.636 4.757 4.120 0.001 0.000 0.298 316 V C 0.082 176.091 176.094 -0.143 0.000 1.028 316 V CA -0.994 61.245 62.300 -0.101 0.000 0.860 316 V CB 1.659 33.422 31.823 -0.102 0.000 0.991 316 V HN 1.012 nan 8.190 nan 0.000 0.427 317 R N 4.125 124.514 120.500 -0.186 0.000 2.460 317 R HA 0.788 5.128 4.340 0.001 0.000 0.303 317 R C -1.618 174.529 176.300 -0.254 0.000 0.968 317 R CA -0.576 55.415 56.100 -0.182 0.000 0.889 317 R CB 1.255 31.367 30.300 -0.313 0.000 1.123 317 R HN 0.680 nan 8.270 nan 0.000 0.455 318 I N 2.713 123.128 120.570 -0.258 0.000 2.468 318 I HA 0.273 4.444 4.170 0.001 0.000 0.284 318 I C -0.814 175.186 176.117 -0.195 0.000 1.038 318 I CA -0.052 61.020 61.300 -0.381 0.000 1.083 318 I CB 2.052 39.605 38.000 -0.745 0.000 1.223 318 I HN 0.535 nan 8.210 nan 0.000 0.443 319 S N 6.668 122.275 115.700 -0.156 0.000 2.537 319 S HA 0.592 5.063 4.470 0.001 0.000 0.270 319 S C -2.591 171.942 174.600 -0.112 0.000 1.142 319 S CA -1.212 56.935 58.200 -0.087 0.000 0.870 319 S CB 2.077 65.269 63.200 -0.012 0.000 1.112 319 S HN 0.360 nan 8.310 nan 0.000 0.466 320 P HA 0.173 nan 4.420 nan 0.000 0.258 320 P C -0.139 177.119 177.300 -0.070 0.000 1.559 320 P CA 0.159 63.198 63.100 -0.102 0.000 0.855 320 P CB -0.926 30.725 31.700 -0.083 0.000 1.594 321 T N -4.219 110.301 114.554 -0.056 0.000 2.894 321 T HA 0.390 4.741 4.350 0.001 0.000 0.309 321 T C -0.351 174.328 174.700 -0.036 0.000 1.208 321 T CA -0.760 61.318 62.100 -0.036 0.000 1.016 321 T CB 1.293 70.150 68.868 -0.017 0.000 1.192 321 T HN -0.236 nan 8.240 nan 0.000 0.491 322 V N 2.630 122.526 119.914 -0.029 0.000 2.715 322 V HA 0.225 4.346 4.120 0.001 0.000 0.299 322 V C 1.035 177.115 176.094 -0.024 0.000 1.054 322 V CA -0.606 61.675 62.300 -0.031 0.000 1.077 322 V CB 0.515 32.323 31.823 -0.024 0.000 0.972 322 V HN 1.005 nan 8.190 nan 0.000 0.484 323 N N 6.551 125.227 118.700 -0.040 0.000 2.394 323 N HA 0.006 4.747 4.740 0.001 0.000 0.277 323 N C -1.019 174.477 175.510 -0.024 0.000 1.346 323 N CA -1.084 51.944 53.050 -0.038 0.000 0.910 323 N CB 0.768 39.198 38.487 -0.094 0.000 1.201 323 N HN 0.439 nan 8.380 nan 0.000 0.488 324 P HA 0.024 nan 4.420 nan 0.000 0.235 324 P C 0.375 177.661 177.300 -0.024 0.000 1.177 324 P CA 0.768 63.866 63.100 -0.003 0.000 0.785 324 P CB 0.041 31.753 31.700 0.019 0.000 0.885 325 I N -3.649 116.894 120.570 -0.046 0.000 2.998 325 I HA 0.400 4.571 4.170 0.001 0.000 0.338 325 I C -1.853 174.205 176.117 -0.098 0.000 1.413 325 I CA -2.443 58.791 61.300 -0.109 0.000 0.880 325 I CB 1.079 38.918 38.000 -0.269 0.000 2.051 325 I HN -0.319 nan 8.210 nan 0.000 0.561 326 P HA -0.200 nan 4.420 nan 0.000 0.223 326 P C 1.464 178.731 177.300 -0.056 0.000 1.144 326 P CA 1.157 64.218 63.100 -0.066 0.000 0.783 326 P CB 0.093 31.759 31.700 -0.058 0.000 0.771 327 R N 0.060 120.522 120.500 -0.063 0.000 2.148 327 R HA -0.037 4.303 4.340 0.001 0.000 0.227 327 R C 1.633 177.896 176.300 -0.063 0.000 1.103 327 R CA 1.197 57.264 56.100 -0.056 0.000 0.983 327 R CB -0.148 30.120 30.300 -0.053 0.000 0.874 327 R HN 0.056 nan 8.270 nan 0.000 0.451 328 V N -1.138 118.718 119.914 -0.096 0.000 2.908 328 V HA 0.069 4.190 4.120 0.001 0.000 0.240 328 V C -0.238 175.841 176.094 -0.025 0.000 1.117 328 V CA 0.263 62.494 62.300 -0.115 0.000 1.133 328 V CB 0.210 31.858 31.823 -0.292 0.000 0.857 328 V HN 0.176 nan 8.190 nan 0.000 0.478 329 Y N 2.511 122.711 120.300 -0.167 0.000 2.447 329 Y HA 0.546 5.097 4.550 0.001 0.000 0.325 329 Y C -0.046 175.810 175.900 -0.072 0.000 0.976 329 Y CA -1.859 56.176 58.100 -0.109 0.000 1.280 329 Y CB 0.557 38.946 38.460 -0.117 0.000 1.104 329 Y HN 0.015 nan 8.280 nan 0.000 0.486 330 R N 7.470 128.020 120.500 0.083 0.000 2.666 330 R HA 0.299 4.640 4.340 0.001 0.000 0.275 330 R C -2.581 173.679 176.300 -0.067 0.000 1.266 330 R CA -1.633 54.434 56.100 -0.055 0.000 1.401 330 R CB 0.505 30.799 30.300 -0.009 0.000 1.145 330 R HN 0.508 nan 8.270 nan 0.000 0.581 331 P HA 0.076 nan 4.420 nan 0.000 0.269 331 P C -0.283 176.966 177.300 -0.086 0.000 1.215 331 P CA -0.096 62.885 63.100 -0.198 0.000 0.780 331 P CB 1.009 32.432 31.700 -0.461 0.000 0.898 332 D N -0.273 120.113 120.400 -0.023 0.000 2.183 332 D HA -0.005 4.636 4.640 0.001 0.000 0.203 332 D C 0.164 176.451 176.300 -0.022 0.000 0.969 332 D CA 1.146 55.140 54.000 -0.009 0.000 0.842 332 D CB 0.109 40.919 40.800 0.017 0.000 0.957 332 D HN 0.065 nan 8.370 nan 0.000 0.484 333 V N 0.653 120.542 119.914 -0.041 0.000 2.577 333 V HA 0.266 4.387 4.120 0.001 0.000 0.303 333 V C -1.140 174.900 176.094 -0.091 0.000 1.042 333 V CA -0.951 61.327 62.300 -0.036 0.000 0.872 333 V CB 2.198 34.026 31.823 0.008 0.000 0.998 333 V HN -0.102 nan 8.190 nan 0.000 0.423 334 D N 3.123 123.471 120.400 -0.085 0.000 2.425 334 D HA 0.495 5.136 4.640 0.001 0.000 0.240 334 D C -0.852 175.405 176.300 -0.072 0.000 1.080 334 D CA -0.130 53.797 54.000 -0.122 0.000 0.836 334 D CB 2.066 42.788 40.800 -0.130 0.000 1.125 334 D HN 0.277 nan 8.370 nan 0.000 0.525 335 V N 4.464 124.310 119.914 -0.113 0.000 2.275 335 V HA 0.225 4.346 4.120 0.001 0.000 0.272 335 V C 0.264 176.286 176.094 -0.121 0.000 1.028 335 V CA -0.840 61.421 62.300 -0.065 0.000 0.810 335 V CB 1.295 33.033 31.823 -0.142 0.000 1.043 335 V HN 0.324 nan 8.190 nan 0.000 0.453 336 V N 4.692 124.568 119.914 -0.064 0.000 2.339 336 V HA 0.619 4.740 4.120 0.001 0.000 0.261 336 V C 0.382 176.339 176.094 -0.229 0.000 1.058 336 V CA 0.489 62.719 62.300 -0.117 0.000 0.897 336 V CB 0.574 32.358 31.823 -0.065 0.000 1.052 336 V HN 0.986 nan 8.190 nan 0.000 0.480 337 T N 2.445 116.795 114.554 -0.340 0.000 2.686 337 T HA 0.215 4.565 4.350 0.001 0.000 0.308 337 T C -1.446 173.012 174.700 -0.403 0.000 1.667 337 T CA -0.659 61.099 62.100 -0.570 0.000 0.987 337 T CB 1.584 69.676 68.868 -1.293 0.000 1.652 337 T HN 0.704 nan 8.240 nan 0.000 0.496 338 D N 0.577 120.741 120.400 -0.393 0.000 2.414 338 D HA 0.290 4.931 4.640 0.001 0.000 0.242 338 D C 1.454 177.657 176.300 -0.162 0.000 1.129 338 D CA 0.104 53.975 54.000 -0.215 0.000 0.885 338 D CB 0.873 41.577 40.800 -0.160 0.000 1.198 338 D HN 0.259 nan 8.370 nan 0.000 0.437 339 V N 3.547 123.419 119.914 -0.069 0.000 2.270 339 V HA -0.160 3.961 4.120 0.001 0.000 0.245 339 V C 2.157 178.310 176.094 0.098 0.000 1.043 339 V CA 1.252 63.561 62.300 0.015 0.000 1.014 339 V CB -0.747 31.083 31.823 0.012 0.000 0.645 339 V HN 0.619 nan 8.190 nan 0.000 0.447 340 L N 1.262 122.515 121.223 0.050 0.000 1.990 340 L HA -0.191 4.150 4.340 0.001 0.000 0.213 340 L C 2.458 179.377 176.870 0.080 0.000 1.072 340 L CA 2.640 57.515 54.840 0.059 0.000 0.755 340 L CB -1.172 40.908 42.059 0.035 0.000 0.889 340 L HN 0.254 nan 8.230 nan 0.000 0.432 341 A N -1.200 121.652 122.820 0.055 0.000 1.978 341 A HA -0.276 4.045 4.320 0.001 0.000 0.220 341 A C 2.260 179.986 177.584 0.236 0.000 1.170 341 A CA 1.877 53.979 52.037 0.109 0.000 0.636 341 A CB -1.193 17.808 19.000 0.001 0.000 0.810 341 A HN 0.637 nan 8.150 nan 0.000 0.448 342 F N 0.578 120.526 119.950 -0.002 0.000 2.146 342 F HA -0.101 4.427 4.527 0.001 0.000 0.298 342 F C 2.075 178.020 175.800 0.241 0.000 1.096 342 F CA 1.819 59.913 58.000 0.156 0.000 1.275 342 F CB -0.456 38.527 39.000 -0.029 0.000 1.008 342 F HN 0.012 nan 8.300 nan 0.000 0.480 343 V N 1.080 120.933 119.914 -0.102 0.000 2.261 343 V HA -0.296 3.825 4.120 0.001 0.000 0.246 343 V C 2.333 178.379 176.094 -0.081 0.000 1.047 343 V CA 2.373 64.554 62.300 -0.199 0.000 1.015 343 V CB -0.881 30.951 31.823 0.016 0.000 0.642 343 V HN 0.345 nan 8.190 nan 0.000 0.446 344 E N -0.505 119.709 120.200 0.022 0.000 2.114 344 E HA -0.340 4.011 4.350 0.001 0.000 0.199 344 E C 2.128 178.760 176.600 0.053 0.000 1.008 344 E CA 2.086 58.513 56.400 0.045 0.000 0.810 344 E CB -0.293 29.457 29.700 0.082 0.000 0.739 344 E HN 0.805 nan 8.360 nan 0.000 0.456 345 H N -0.926 118.166 119.070 0.037 0.000 2.428 345 H HA -0.084 4.472 4.556 0.001 0.000 0.296 345 H C 1.741 177.037 175.328 -0.053 0.000 1.062 345 H CA 1.065 57.127 56.048 0.023 0.000 1.350 345 H CB -0.029 29.811 29.762 0.130 0.000 1.403 345 H HN 0.097 nan 8.280 nan 0.000 0.533 346 F N 1.437 121.246 119.950 -0.236 0.000 2.234 346 F HA -0.107 4.421 4.527 0.001 0.000 0.299 346 F C 2.141 177.744 175.800 -0.328 0.000 1.087 346 F CA 1.244 59.029 58.000 -0.359 0.000 1.340 346 F CB -0.024 38.565 39.000 -0.686 0.000 1.031 346 F HN 0.231 nan 8.300 nan 0.000 0.500 347 E N -0.517 119.571 120.200 -0.186 0.000 2.031 347 E HA -0.177 4.174 4.350 0.001 0.000 0.193 347 E C 2.208 178.633 176.600 -0.291 0.000 0.994 347 E CA 1.940 58.210 56.400 -0.217 0.000 0.800 347 E CB -0.806 28.827 29.700 -0.111 0.000 0.752 347 E HN 0.314 nan 8.360 nan 0.000 0.447 348 T N 1.351 115.744 114.554 -0.268 0.000 2.665 348 T HA -0.166 4.185 4.350 0.001 0.000 0.268 348 T C 1.905 176.390 174.700 -0.359 0.000 1.035 348 T CA 1.690 63.621 62.100 -0.282 0.000 1.151 348 T CB -0.213 68.485 68.868 -0.283 0.000 0.862 348 T HN 0.274 nan 8.240 nan 0.000 0.438 349 A N 1.180 123.716 122.820 -0.473 0.000 2.066 349 A HA 0.006 4.326 4.320 0.001 0.000 0.218 349 A C 2.275 179.435 177.584 -0.707 0.000 1.157 349 A CA 1.623 53.369 52.037 -0.485 0.000 0.670 349 A CB -0.530 18.210 19.000 -0.433 0.000 0.804 349 A HN 0.604 nan 8.150 nan 0.000 0.453 350 T N -4.377 109.641 114.554 -0.893 0.000 3.129 350 T HA 0.534 4.885 4.350 0.001 0.000 0.267 350 T C 1.499 175.817 174.700 -0.636 0.000 1.018 350 T CA 0.728 62.020 62.100 -1.348 0.000 0.903 350 T CB 0.292 68.329 68.868 -1.386 0.000 1.067 350 T HN 0.397 nan 8.240 nan 0.000 0.549 351 A N 2.631 125.230 122.820 -0.368 0.000 1.917 351 A HA -0.105 4.216 4.320 0.001 0.000 0.219 351 A C 2.544 180.093 177.584 -0.058 0.000 1.182 351 A CA 2.146 54.079 52.037 -0.174 0.000 0.633 351 A CB -1.026 17.892 19.000 -0.137 0.000 0.819 351 A HN 0.799 nan 8.150 nan 0.000 0.448 352 S N -1.889 113.822 115.700 0.018 0.000 2.575 352 S HA 0.284 4.755 4.470 0.001 0.000 0.215 352 S C 0.134 174.864 174.600 0.217 0.000 0.966 352 S CA -0.571 57.691 58.200 0.103 0.000 0.911 352 S CB -0.356 62.899 63.200 0.091 0.000 0.780 352 S HN 0.124 nan 8.310 nan 0.000 0.514 353 F N 3.101 123.003 119.950 -0.080 0.000 2.518 353 F HA 0.574 5.102 4.527 0.002 0.000 0.359 353 F C 1.408 177.179 175.800 -0.049 0.000 1.118 353 F CA -1.045 56.913 58.000 -0.069 0.000 1.287 353 F CB 0.010 38.955 39.000 -0.092 0.000 1.132 353 F HN 0.185 nan 8.300 nan 0.000 0.587 354 G N 1.425 110.272 108.800 0.078 0.000 2.420 354 G HA2 0.506 4.467 3.960 0.001 0.000 0.284 354 G HA3 0.506 4.467 3.960 0.001 0.000 0.284 354 G C -0.409 174.521 174.900 0.051 0.000 1.177 354 G CA -0.412 44.712 45.100 0.040 0.000 0.841 354 G HN 0.930 nan 8.290 nan 0.000 0.527 355 A N 1.575 124.419 122.820 0.040 0.000 2.536 355 A HA 0.404 4.725 4.320 0.001 0.000 0.234 355 A C 0.682 178.275 177.584 0.015 0.000 1.076 355 A CA 0.307 52.365 52.037 0.034 0.000 0.769 355 A CB 0.282 19.296 19.000 0.023 0.000 1.020 355 A HN 0.551 nan 8.150 nan 0.000 0.508 356 K N 0.644 121.050 120.400 0.010 0.000 2.185 356 K HA 0.338 4.658 4.320 0.001 0.000 0.240 356 K C -0.548 176.019 176.600 -0.055 0.000 0.983 356 K CA -0.710 55.563 56.287 -0.022 0.000 0.873 356 K CB 0.923 33.416 32.500 -0.012 0.000 1.118 356 K HN 0.702 nan 8.250 nan 0.000 0.441 357 Q N 2.414 122.142 119.800 -0.121 0.000 2.361 357 Q HA 0.107 4.448 4.340 0.001 0.000 0.250 357 Q C 0.080 175.917 176.000 -0.271 0.000 1.023 357 Q CA -0.157 55.550 55.803 -0.159 0.000 0.915 357 Q CB 0.761 29.407 28.738 -0.153 0.000 1.238 357 Q HN 0.424 nan 8.270 nan 0.000 0.451 358 R N 3.036 123.481 120.500 -0.091 0.000 2.298 358 R HA 0.193 4.533 4.340 0.001 0.000 0.310 358 R C 0.311 176.684 176.300 0.122 0.000 1.068 358 R CA -0.609 55.495 56.100 0.008 0.000 0.957 358 R CB 0.499 30.823 30.300 0.040 0.000 1.003 358 R HN 0.525 nan 8.270 nan 0.000 0.454 359 H N 0.943 120.156 119.070 0.238 0.000 2.822 359 H HA 0.045 4.602 4.556 0.001 0.000 0.373 359 H C -1.022 174.449 175.328 0.238 0.000 1.223 359 H CA -0.293 55.967 56.048 0.354 0.000 1.436 359 H CB 0.496 30.522 29.762 0.441 0.000 1.439 359 H HN 0.745 nan 8.280 nan 0.000 0.618 360 D N 0.981 121.460 120.400 0.132 0.000 2.274 360 D HA 0.239 4.880 4.640 0.001 0.000 0.239 360 D C 0.717 176.987 176.300 -0.050 0.000 1.104 360 D CA -0.666 53.338 54.000 0.007 0.000 0.840 360 D CB 0.123 40.956 40.800 0.056 0.000 1.100 360 D HN 0.628 nan 8.370 nan 0.000 0.477 361 I N 0.346 120.798 120.570 -0.197 0.000 3.833 361 I HA 0.361 4.532 4.170 0.001 0.000 0.328 361 I C 0.951 176.969 176.117 -0.165 0.000 1.554 361 I CA -0.525 60.655 61.300 -0.200 0.000 1.116 361 I CB 0.613 38.358 38.000 -0.426 0.000 1.182 361 I HN 0.126 nan 8.210 nan 0.000 0.459 362 E N 2.408 122.542 120.200 -0.110 0.000 2.085 362 E HA -0.129 4.222 4.350 0.001 0.000 0.194 362 E C -0.432 176.145 176.600 -0.040 0.000 0.994 362 E CA 1.659 58.012 56.400 -0.078 0.000 0.801 362 E CB -1.546 28.128 29.700 -0.043 0.000 0.743 362 E HN 0.468 nan 8.360 nan 0.000 0.453 363 P HA -0.166 nan 4.420 nan 0.000 0.216 363 P C 1.746 179.041 177.300 -0.009 0.000 1.153 363 P CA 0.929 64.102 63.100 0.122 0.000 0.858 363 P CB -0.090 31.774 31.700 0.274 0.000 0.789 364 L N -0.490 120.703 121.223 -0.051 0.000 2.072 364 L HA -0.045 4.296 4.340 0.001 0.000 0.205 364 L C 2.277 178.976 176.870 -0.285 0.000 1.079 364 L CA 1.746 56.395 54.840 -0.318 0.000 0.752 364 L CB -0.963 41.041 42.059 -0.091 0.000 0.906 364 L HN -0.218 nan 8.230 nan 0.000 0.436 365 R N -0.345 120.043 120.500 -0.186 0.000 2.127 365 R HA -0.129 4.212 4.340 0.001 0.000 0.238 365 R C 2.111 178.338 176.300 -0.122 0.000 1.134 365 R CA 1.309 57.322 56.100 -0.145 0.000 0.975 365 R CB -0.580 29.640 30.300 -0.132 0.000 0.865 365 R HN 0.562 nan 8.270 nan 0.000 0.447 366 A N 0.827 123.571 122.820 -0.126 0.000 1.898 366 A HA -0.127 4.193 4.320 0.001 0.000 0.214 366 A C 2.128 179.645 177.584 -0.112 0.000 1.183 366 A CA 0.983 52.966 52.037 -0.090 0.000 0.622 366 A CB -0.254 18.714 19.000 -0.053 0.000 0.824 366 A HN 0.075 nan 8.150 nan 0.000 0.444 367 R N 0.516 120.882 120.500 -0.224 0.000 2.081 367 R HA -0.010 4.331 4.340 0.001 0.000 0.235 367 R C 1.714 177.972 176.300 -0.071 0.000 1.131 367 R CA 1.783 57.742 56.100 -0.235 0.000 0.960 367 R CB -0.878 29.003 30.300 -0.699 0.000 0.856 367 R HN 0.551 nan 8.270 nan 0.000 0.436 368 I N 0.254 120.761 120.570 -0.104 0.000 2.163 368 I HA -0.273 3.898 4.170 0.001 0.000 0.243 368 I C 2.268 178.372 176.117 -0.021 0.000 1.085 368 I CA 1.529 62.836 61.300 0.011 0.000 1.347 368 I CB -0.475 37.550 38.000 0.042 0.000 1.044 368 I HN 0.294 nan 8.210 nan 0.000 0.408 369 A N -0.034 122.765 122.820 -0.036 0.000 1.972 369 A HA -0.268 4.053 4.320 0.001 0.000 0.219 369 A C 2.320 179.881 177.584 -0.038 0.000 1.169 369 A CA 1.936 53.951 52.037 -0.036 0.000 0.635 369 A CB -0.608 18.372 19.000 -0.033 0.000 0.810 369 A HN 0.530 nan 8.150 nan 0.000 0.446 370 E N -1.422 118.755 120.200 -0.037 0.000 2.072 370 E HA -0.144 4.207 4.350 0.001 0.000 0.190 370 E C 1.670 178.215 176.600 -0.092 0.000 0.982 370 E CA 0.772 57.138 56.400 -0.057 0.000 0.803 370 E CB -0.200 29.463 29.700 -0.063 0.000 0.755 370 E HN 0.595 nan 8.360 nan 0.000 0.453 371 F N 0.972 120.788 119.950 -0.223 0.000 2.069 371 F HA -0.191 4.337 4.527 0.002 0.000 0.298 371 F C 2.242 177.899 175.800 -0.238 0.000 1.113 371 F CA 1.281 59.069 58.000 -0.353 0.000 1.214 371 F CB -0.114 38.506 39.000 -0.633 0.000 0.978 371 F HN 0.049 nan 8.300 nan 0.000 0.474 372 L N -1.089 120.075 121.223 -0.097 0.000 2.201 372 L HA -0.166 4.175 4.340 0.001 0.000 0.212 372 L C 2.351 179.225 176.870 0.007 0.000 1.105 372 L CA 0.999 55.790 54.840 -0.081 0.000 0.775 372 L CB -0.577 41.418 42.059 -0.107 0.000 0.913 372 L HN 0.146 nan 8.230 nan 0.000 0.440 373 A N -1.752 121.068 122.820 -0.000 0.000 2.147 373 A HA -0.072 4.249 4.320 0.001 0.000 0.211 373 A C 0.672 178.267 177.584 0.019 0.000 1.160 373 A CA -0.173 51.867 52.037 0.006 0.000 0.781 373 A CB -0.210 18.785 19.000 -0.009 0.000 0.842 373 A HN 0.293 nan 8.150 nan 0.000 0.475 374 D N 1.060 121.481 120.400 0.035 0.000 4.368 374 D HA -0.100 4.540 4.640 0.001 0.000 0.202 374 D C -1.441 174.890 176.300 0.052 0.000 1.209 374 D CA -0.010 54.027 54.000 0.061 0.000 0.766 374 D CB 0.755 41.676 40.800 0.202 0.000 1.226 374 D HN 0.267 nan 8.370 nan 0.000 0.663 375 P HA 0.040 nan 4.420 nan 0.000 0.257 375 P C 0.455 177.721 177.300 -0.055 0.000 1.241 375 P CA -0.094 62.997 63.100 -0.016 0.000 0.816 375 P CB 0.373 32.057 31.700 -0.027 0.000 1.150 376 E N 0.396 120.534 120.200 -0.103 0.000 2.458 376 E HA 0.069 4.420 4.350 0.001 0.000 0.264 376 E C -0.419 176.001 176.600 -0.300 0.000 1.097 376 E CA 0.756 56.986 56.400 -0.283 0.000 0.973 376 E CB 0.311 29.686 29.700 -0.543 0.000 0.963 376 E HN -0.081 nan 8.360 nan 0.000 0.451 377 T N 2.975 117.311 114.554 -0.363 0.000 2.833 377 T HA 0.286 4.636 4.350 0.001 0.000 0.297 377 T C -1.325 173.221 174.700 -0.257 0.000 1.015 377 T CA -0.409 61.572 62.100 -0.199 0.000 0.963 377 T CB 0.013 68.817 68.868 -0.107 0.000 0.955 377 T HN 0.231 nan 8.240 nan 0.000 0.449 378 Y N 1.368 121.648 120.300 -0.034 0.000 2.310 378 Y HA 0.446 4.996 4.550 0.001 0.000 0.326 378 Y C 1.846 177.726 175.900 -0.032 0.000 1.151 378 Y CA -0.420 57.662 58.100 -0.031 0.000 1.195 378 Y CB 0.512 38.950 38.460 -0.037 0.000 1.210 378 Y HN 0.782 nan 8.280 nan 0.000 0.483 379 E N 1.664 121.931 120.200 0.111 0.000 2.048 379 E HA -0.280 4.071 4.350 0.001 0.000 0.202 379 E C 1.303 177.929 176.600 0.043 0.000 1.021 379 E CA 2.322 58.753 56.400 0.051 0.000 0.825 379 E CB -0.964 28.760 29.700 0.040 0.000 0.756 379 E HN 0.856 nan 8.360 nan 0.000 0.454 380 D N -0.632 119.796 120.400 0.047 0.000 2.088 380 D HA 0.306 4.947 4.640 0.001 0.000 0.196 380 D C 1.302 177.598 176.300 -0.007 0.000 0.983 380 D CA 1.463 55.468 54.000 0.009 0.000 0.846 380 D CB -0.642 40.150 40.800 -0.014 0.000 0.992 380 D HN 0.759 nan 8.370 nan 0.000 0.448 381 G N -1.754 107.035 108.800 -0.018 0.000 2.634 381 G HA2 0.517 4.478 3.960 0.001 0.000 0.309 381 G HA3 0.517 4.478 3.960 0.001 0.000 0.309 381 G C -0.775 174.099 174.900 -0.043 0.000 1.299 381 G CA -0.836 44.242 45.100 -0.037 0.000 0.798 381 G HN 0.076 nan 8.290 nan 0.000 0.490 382 M N 0.198 119.751 119.600 -0.078 0.000 2.103 382 M HA 0.399 4.879 4.480 0.001 0.000 0.291 382 M C 0.502 176.652 176.300 -0.251 0.000 1.216 382 M CA 0.004 55.244 55.300 -0.099 0.000 1.132 382 M CB 0.404 32.944 32.600 -0.098 0.000 1.396 382 M HN 0.219 nan 8.290 nan 0.000 0.479 383 R N 0.147 120.444 120.500 -0.339 0.000 2.668 383 R HA 0.356 4.697 4.340 0.001 0.000 0.279 383 R C 0.810 176.854 176.300 -0.428 0.000 0.976 383 R CA -0.467 55.339 56.100 -0.489 0.000 0.978 383 R CB 1.257 31.117 30.300 -0.733 0.000 1.133 383 R HN 0.530 nan 8.270 nan 0.000 0.484 384 V N 1.831 121.536 119.914 -0.348 0.000 2.427 384 V HA -0.250 3.870 4.120 0.001 0.000 0.248 384 V C 2.026 178.118 176.094 -0.004 0.000 1.051 384 V CA 2.222 64.391 62.300 -0.219 0.000 1.048 384 V CB -0.950 30.634 31.823 -0.397 0.000 0.666 384 V HN 0.847 nan 8.190 nan 0.000 0.456 385 H N 0.224 119.428 119.070 0.224 0.000 2.422 385 H HA -0.186 4.371 4.556 0.001 0.000 0.298 385 H C 2.124 177.513 175.328 0.101 0.000 1.098 385 H CA 1.629 57.839 56.048 0.270 0.000 1.315 385 H CB -0.526 29.433 29.762 0.328 0.000 1.382 385 H HN 0.453 nan 8.280 nan 0.000 0.523 386 Q N 0.732 120.469 119.800 -0.105 0.000 2.123 386 Q HA -0.039 4.302 4.340 0.001 0.000 0.199 386 Q C 2.539 178.534 176.000 -0.007 0.000 0.966 386 Q CA 1.232 57.011 55.803 -0.040 0.000 0.845 386 Q CB 0.157 28.841 28.738 -0.090 0.000 0.907 386 Q HN 0.394 nan 8.270 nan 0.000 0.439 387 V N 1.090 120.986 119.914 -0.029 0.000 2.295 387 V HA -0.261 3.860 4.120 0.001 0.000 0.246 387 V C 2.104 178.234 176.094 0.059 0.000 1.049 387 V CA 1.655 63.951 62.300 -0.007 0.000 1.024 387 V CB -0.418 31.379 31.823 -0.044 0.000 0.648 387 V HN 0.332 nan 8.190 nan 0.000 0.447 388 I N 0.314 120.954 120.570 0.118 0.000 2.394 388 I HA -0.220 3.951 4.170 0.001 0.000 0.251 388 I C 2.259 178.466 176.117 0.150 0.000 1.136 388 I CA 1.785 63.190 61.300 0.174 0.000 1.425 388 I CB -0.343 37.816 38.000 0.265 0.000 1.079 388 I HN 0.385 nan 8.210 nan 0.000 0.425 389 D N 0.450 120.918 120.400 0.113 0.000 2.097 389 D HA -0.167 4.474 4.640 0.001 0.000 0.195 389 D C 2.227 178.578 176.300 0.084 0.000 0.989 389 D CA 1.627 55.678 54.000 0.085 0.000 0.827 389 D CB 0.151 40.985 40.800 0.057 0.000 0.966 389 D HN 0.149 nan 8.370 nan 0.000 0.456 390 S N -0.428 115.315 115.700 0.073 0.000 2.383 390 S HA -0.190 4.281 4.470 0.001 0.000 0.229 390 S C 2.057 176.726 174.600 0.114 0.000 1.030 390 S CA 1.027 59.270 58.200 0.071 0.000 1.002 390 S CB -0.299 62.925 63.200 0.041 0.000 0.829 390 S HN 0.345 nan 8.310 nan 0.000 0.467 391 M N 1.546 121.233 119.600 0.145 0.000 2.132 391 M HA -0.095 4.386 4.480 0.001 0.000 0.263 391 M C 1.885 178.356 176.300 0.285 0.000 1.065 391 M CA 1.102 56.558 55.300 0.259 0.000 1.122 391 M CB -0.568 32.197 32.600 0.275 0.000 1.365 391 M HN 0.201 nan 8.290 nan 0.000 0.411 392 N N 0.050 118.860 118.700 0.184 0.000 2.069 392 N HA -0.126 4.615 4.740 0.001 0.000 0.191 392 N C 1.679 177.252 175.510 0.105 0.000 1.031 392 N CA 1.912 55.038 53.050 0.128 0.000 0.852 392 N CB -0.939 37.610 38.487 0.103 0.000 1.018 392 N HN 0.295 nan 8.380 nan 0.000 0.423 393 T N 1.185 115.802 114.554 0.104 0.000 2.607 393 T HA -0.084 4.267 4.350 0.001 0.000 0.267 393 T C 2.099 176.859 174.700 0.100 0.000 1.049 393 T CA 1.457 63.607 62.100 0.083 0.000 1.162 393 T CB -0.479 68.432 68.868 0.071 0.000 0.863 393 T HN -0.002 nan 8.240 nan 0.000 0.424 394 V N 1.362 121.370 119.914 0.157 0.000 2.594 394 V HA -0.138 3.983 4.120 0.001 0.000 0.253 394 V C 2.359 178.566 176.094 0.188 0.000 1.069 394 V CA 1.620 64.042 62.300 0.202 0.000 1.082 394 V CB -0.668 31.316 31.823 0.269 0.000 0.680 394 V HN 0.404 nan 8.190 nan 0.000 0.469 395 M N 0.737 120.405 119.600 0.113 0.000 2.200 395 M HA -0.104 4.376 4.480 0.001 0.000 0.265 395 M C 2.025 178.274 176.300 -0.086 0.000 1.066 395 M CA 1.902 57.092 55.300 -0.184 0.000 1.127 395 M CB -0.607 31.817 32.600 -0.294 0.000 1.379 395 M HN 0.415 nan 8.290 nan 0.000 0.420 396 E N -0.130 120.063 120.200 -0.011 0.000 2.110 396 E HA -0.229 4.122 4.350 0.001 0.000 0.193 396 E C 1.700 178.303 176.600 0.005 0.000 0.988 396 E CA 1.676 58.076 56.400 0.000 0.000 0.804 396 E CB -0.120 29.591 29.700 0.020 0.000 0.745 396 E HN 0.721 nan 8.360 nan 0.000 0.458 397 E N 0.144 120.357 120.200 0.022 0.000 2.047 397 E HA -0.160 4.191 4.350 0.001 0.000 0.191 397 E C 2.042 178.653 176.600 0.018 0.000 0.987 397 E CA 1.026 57.441 56.400 0.026 0.000 0.799 397 E CB -0.130 29.597 29.700 0.044 0.000 0.752 397 E HN 0.364 nan 8.360 nan 0.000 0.449 398 A N 1.091 123.921 122.820 0.016 0.000 2.016 398 A HA 0.205 4.526 4.320 0.001 0.000 0.217 398 A C 1.266 178.842 177.584 -0.014 0.000 1.162 398 A CA 0.828 52.873 52.037 0.015 0.000 0.662 398 A CB 0.038 19.061 19.000 0.039 0.000 0.812 398 A HN 0.210 nan 8.150 nan 0.000 0.450 399 A N 0.555 123.352 122.820 -0.038 0.000 2.317 399 A HA 0.572 4.893 4.320 0.001 0.000 0.327 399 A C -0.326 177.247 177.584 -0.019 0.000 1.178 399 A CA -0.679 51.333 52.037 -0.042 0.000 0.817 399 A CB 0.411 19.365 19.000 -0.077 0.000 1.189 399 A HN 0.219 nan 8.150 nan 0.000 0.489 400 E N 2.083 122.277 120.200 -0.009 0.000 2.492 400 E HA 0.078 4.429 4.350 0.001 0.000 0.266 400 E C -2.141 174.458 176.600 -0.001 0.000 1.047 400 E CA -1.139 55.261 56.400 -0.001 0.000 0.968 400 E CB -0.276 29.426 29.700 0.003 0.000 0.960 400 E HN 0.431 nan 8.360 nan 0.000 0.452 401 P HA 0.063 nan 4.420 nan 0.000 0.269 401 P C 0.588 177.894 177.300 0.010 0.000 1.209 401 P CA 0.455 63.560 63.100 0.008 0.000 0.776 401 P CB 0.484 32.191 31.700 0.012 0.000 0.876 402 G N 0.598 109.406 108.800 0.013 0.000 2.155 402 G HA2 -0.232 3.729 3.960 0.001 0.000 0.257 402 G HA3 -0.232 3.729 3.960 0.001 0.000 0.257 402 G C -0.096 174.812 174.900 0.014 0.000 0.983 402 G CA 0.159 45.268 45.100 0.015 0.000 0.676 402 G HN 0.634 nan 8.290 nan 0.000 0.528 403 E N -1.232 118.972 120.200 0.007 0.000 2.433 403 E HA 0.638 4.989 4.350 0.001 0.000 0.273 403 E C 0.241 176.833 176.600 -0.014 0.000 0.950 403 E CA -0.461 55.941 56.400 0.003 0.000 0.796 403 E CB 2.161 31.861 29.700 0.001 0.000 1.330 403 E HN 1.554 nan 8.360 nan 0.000 0.455 404 G N 0.324 109.112 108.800 -0.019 0.000 2.650 404 G HA2 -0.030 3.930 3.960 0.001 0.000 0.686 404 G HA3 -0.030 3.930 3.960 0.001 0.000 0.686 404 G C -0.926 173.962 174.900 -0.020 0.000 1.205 404 G CA -0.751 44.314 45.100 -0.058 0.000 0.781 404 G HN 0.400 nan 8.290 nan 0.000 0.648 405 T N 1.407 115.938 114.554 -0.038 0.000 3.031 405 T HA 0.575 4.926 4.350 0.001 0.000 0.305 405 T C 0.225 174.956 174.700 0.052 0.000 0.985 405 T CA -0.442 61.677 62.100 0.032 0.000 1.008 405 T CB 1.111 70.004 68.868 0.042 0.000 1.005 405 T HN 0.656 nan 8.240 nan 0.000 0.444 406 I N 3.284 123.935 120.570 0.136 0.000 2.321 406 I HA 0.445 4.615 4.170 0.001 0.000 0.291 406 I C -0.234 175.981 176.117 0.164 0.000 0.998 406 I CA -0.954 60.485 61.300 0.231 0.000 1.227 406 I CB 1.402 39.616 38.000 0.357 0.000 1.368 406 I HN 0.266 nan 8.210 nan 0.000 0.466 407 V N 5.085 125.075 119.914 0.126 0.000 2.483 407 V HA 0.371 4.492 4.120 0.001 0.000 0.295 407 V C 0.060 176.207 176.094 0.088 0.000 1.035 407 V CA -0.421 61.890 62.300 0.018 0.000 0.896 407 V CB 1.791 33.634 31.823 0.033 0.000 0.986 407 V HN 0.771 nan 8.190 nan 0.000 0.447 408 S N 2.821 118.517 115.700 -0.007 0.000 2.519 408 S HA 0.351 4.822 4.470 0.001 0.000 0.309 408 S C -0.356 174.381 174.600 0.228 0.000 1.100 408 S CA -0.676 57.634 58.200 0.184 0.000 1.059 408 S CB 1.226 64.542 63.200 0.193 0.000 1.008 408 S HN 0.883 nan 8.310 nan 0.000 0.478 409 D N 2.335 122.975 120.400 0.399 0.000 2.228 409 D HA 0.213 4.854 4.640 0.001 0.000 0.259 409 D C 0.029 176.490 176.300 0.267 0.000 1.249 409 D CA 0.017 54.274 54.000 0.427 0.000 0.997 409 D CB 0.409 41.494 40.800 0.475 0.000 1.151 409 D HN 0.445 nan 8.370 nan 0.000 0.536 410 I N -0.970 119.763 120.570 0.271 0.000 2.603 410 I HA 0.620 4.791 4.170 0.001 0.000 0.300 410 I C 0.981 177.143 176.117 0.075 0.000 1.017 410 I CA -0.358 60.953 61.300 0.018 0.000 1.098 410 I CB 0.606 38.653 38.000 0.079 0.000 1.279 410 I HN 0.638 nan 8.210 nan 0.000 0.437 411 G N 3.340 112.027 108.800 -0.188 0.000 2.357 411 G HA2 0.009 3.970 3.960 0.001 0.000 0.289 411 G HA3 0.009 3.970 3.960 0.001 0.000 0.289 411 G C -0.312 174.471 174.900 -0.195 0.000 1.302 411 G CA -0.598 44.500 45.100 -0.003 0.000 0.936 411 G HN 0.346 nan 8.290 nan 0.000 0.513 412 F N 0.950 120.814 119.950 -0.143 0.000 2.095 412 F HA 0.034 4.562 4.527 0.002 0.000 0.298 412 F C 2.703 178.452 175.800 -0.085 0.000 1.104 412 F CA 2.514 60.401 58.000 -0.189 0.000 1.232 412 F CB -0.706 38.093 39.000 -0.336 0.000 0.987 412 F HN 0.502 nan 8.300 nan 0.000 0.475 413 F N 0.280 120.246 119.950 0.026 0.000 2.287 413 F HA -0.119 4.408 4.527 0.001 0.000 0.301 413 F C 2.225 178.053 175.800 0.046 0.000 1.069 413 F CA 1.407 59.405 58.000 -0.003 0.000 1.372 413 F CB -1.195 37.847 39.000 0.071 0.000 1.056 413 F HN -0.071 nan 8.300 nan 0.000 0.523 414 R N 0.535 120.317 120.500 -1.197 0.000 2.115 414 R HA -0.135 4.206 4.340 0.001 0.000 0.226 414 R C 2.003 177.944 176.300 -0.598 0.000 1.100 414 R CA 1.584 57.138 56.100 -0.910 0.000 0.980 414 R CB -0.890 28.784 30.300 -1.043 0.000 0.875 414 R HN 0.445 nan 8.270 nan 0.000 0.445 415 H N -0.810 117.984 119.070 -0.461 0.000 2.457 415 H HA -0.100 4.457 4.556 0.002 0.000 0.294 415 H C 1.603 176.642 175.328 -0.482 0.000 1.064 415 H CA 1.122 56.879 56.048 -0.486 0.000 1.330 415 H CB -0.123 29.301 29.762 -0.564 0.000 1.395 415 H HN 0.227 nan 8.280 nan 0.000 0.541 416 Y N 0.690 120.768 120.300 -0.370 0.000 2.145 416 Y HA -0.110 4.441 4.550 0.001 0.000 0.286 416 Y C 2.924 178.620 175.900 -0.340 0.000 1.145 416 Y CA 1.152 59.058 58.100 -0.322 0.000 1.148 416 Y CB -0.789 37.718 38.460 0.078 0.000 0.981 416 Y HN 0.195 nan 8.280 nan 0.000 0.507 417 G N -0.477 108.311 108.800 -0.019 0.000 2.469 417 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 417 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 417 G C 1.800 176.248 174.900 -0.754 0.000 1.136 417 G CA 1.496 46.510 45.100 -0.143 0.000 0.759 417 G HN 0.306 nan 8.290 nan 0.000 0.562 418 V N 0.721 120.271 119.914 -0.607 0.000 2.307 418 V HA -0.089 4.032 4.120 0.001 0.000 0.245 418 V C 2.908 178.676 176.094 -0.543 0.000 1.045 418 V CA 1.483 63.416 62.300 -0.613 0.000 1.024 418 V CB -0.369 31.177 31.823 -0.461 0.000 0.651 418 V HN 0.352 nan 8.190 nan 0.000 0.449 419 L N -1.376 119.457 121.223 -0.651 0.000 2.027 419 L HA -0.091 4.250 4.340 0.001 0.000 0.206 419 L C 2.117 178.670 176.870 -0.528 0.000 1.074 419 L CA 1.622 56.006 54.840 -0.759 0.000 0.745 419 L CB -0.390 40.803 42.059 -1.444 0.000 0.898 419 L HN 0.309 nan 8.230 nan 0.000 0.433 420 F N -0.664 119.167 119.950 -0.199 0.000 2.724 420 F HA 0.371 4.899 4.527 0.001 0.000 0.306 420 F C 1.201 176.936 175.800 -0.109 0.000 1.100 420 F CA -0.949 56.984 58.000 -0.112 0.000 1.255 420 F CB -0.641 38.348 39.000 -0.018 0.000 1.072 420 F HN -0.184 nan 8.300 nan 0.000 0.589 421 A N 1.717 124.472 122.820 -0.108 0.000 2.388 421 A HA 0.457 4.778 4.320 0.001 0.000 0.257 421 A C 0.619 178.169 177.584 -0.056 0.000 1.095 421 A CA -0.531 51.449 52.037 -0.095 0.000 0.791 421 A CB 0.183 19.009 19.000 -0.290 0.000 1.029 421 A HN 0.349 nan 8.150 nan 0.000 0.489 422 R N 1.649 122.176 120.500 0.045 0.000 2.298 422 R HA 0.526 4.867 4.340 0.001 0.000 0.310 422 R C -0.541 175.807 176.300 0.080 0.000 1.068 422 R CA 0.329 56.461 56.100 0.053 0.000 0.957 422 R CB 0.551 30.886 30.300 0.058 0.000 1.003 422 R HN 0.754 nan 8.270 nan 0.000 0.454 423 A N 3.789 126.653 122.820 0.072 0.000 2.340 423 A HA 0.229 4.550 4.320 0.001 0.000 0.297 423 A C -0.754 176.867 177.584 0.062 0.000 1.195 423 A CA -0.783 51.313 52.037 0.099 0.000 0.769 423 A CB 1.540 20.625 19.000 0.140 0.000 1.163 423 A HN 0.879 nan 8.150 nan 0.000 0.472 424 D N 1.203 121.633 120.400 0.050 0.000 2.398 424 D HA 0.134 4.775 4.640 0.001 0.000 0.210 424 D C 0.488 176.803 176.300 0.025 0.000 1.094 424 D CA 0.734 54.754 54.000 0.034 0.000 0.839 424 D CB 0.354 41.170 40.800 0.027 0.000 0.963 424 D HN 0.767 nan 8.370 nan 0.000 0.506 425 Q N -1.260 118.556 119.800 0.027 0.000 2.511 425 Q HA 0.556 4.897 4.340 0.001 0.000 0.289 425 Q C -2.926 173.062 176.000 -0.019 0.000 1.021 425 Q CA -2.320 53.485 55.803 0.004 0.000 0.785 425 Q CB 1.332 30.080 28.738 0.016 0.000 1.472 425 Q HN -0.271 nan 8.270 nan 0.000 0.411 426 P HA -0.056 nan 4.420 nan 0.000 0.261 426 P C -0.945 176.237 177.300 -0.197 0.000 1.173 426 P CA 0.648 63.574 63.100 -0.289 0.000 0.760 426 P CB -0.109 31.340 31.700 -0.418 0.000 0.783 427 F N 1.079 121.068 119.950 0.065 0.000 3.018 427 F HA -0.181 4.347 4.527 0.001 0.000 0.287 427 F C 1.615 177.453 175.800 0.063 0.000 0.813 427 F CA 1.070 59.105 58.000 0.058 0.000 1.209 427 F CB -2.585 36.435 39.000 0.033 0.000 1.321 427 F HN 0.458 nan 8.300 nan 0.000 0.477 428 G N -1.117 107.808 108.800 0.207 0.000 2.430 428 G HA2 0.019 3.980 3.960 0.001 0.000 0.216 428 G HA3 0.019 3.980 3.960 0.001 0.000 0.216 428 G C 0.237 175.287 174.900 0.249 0.000 1.146 428 G CA 0.500 45.703 45.100 0.173 0.000 0.793 428 G HN 0.294 nan 8.290 nan 0.000 0.537 429 F N 0.969 120.991 119.950 0.120 0.000 2.388 429 F HA 0.677 5.205 4.527 0.002 0.000 0.358 429 F C -1.091 174.807 175.800 0.163 0.000 1.122 429 F CA -1.875 56.199 58.000 0.124 0.000 1.056 429 F CB 1.516 40.576 39.000 0.100 0.000 1.155 429 F HN -0.220 nan 8.300 nan 0.000 0.461 430 L N 5.544 126.508 121.223 -0.433 0.000 2.313 430 L HA 0.641 4.982 4.340 0.001 0.000 0.283 430 L C -0.113 176.462 176.870 -0.491 0.000 1.013 430 L CA -0.101 54.563 54.840 -0.293 0.000 0.816 430 L CB 1.593 43.599 42.059 -0.089 0.000 1.236 430 L HN 0.746 nan 8.230 nan 0.000 0.419 431 T N 1.126 115.493 114.554 -0.312 0.000 2.762 431 T HA 0.397 4.748 4.350 0.001 0.000 0.301 431 T C -1.119 173.371 174.700 -0.350 0.000 1.299 431 T CA -0.455 61.491 62.100 -0.257 0.000 1.005 431 T CB 1.645 70.305 68.868 -0.347 0.000 1.377 431 T HN 0.386 nan 8.240 nan 0.000 0.504 432 S N 1.100 116.336 115.700 -0.774 0.000 2.399 432 S HA 0.571 5.042 4.470 0.001 0.000 0.301 432 S C 1.057 175.504 174.600 -0.254 0.000 1.093 432 S CA -0.014 57.777 58.200 -0.682 0.000 1.077 432 S CB 0.090 62.659 63.200 -1.051 0.000 0.980 432 S HN 0.782 nan 8.310 nan 0.000 0.494 433 A N 4.492 127.243 122.820 -0.114 0.000 1.975 433 A HA 0.271 4.592 4.320 0.001 0.000 0.215 433 A C 1.891 179.411 177.584 -0.107 0.000 1.170 433 A CA 1.101 53.109 52.037 -0.049 0.000 0.656 433 A CB -0.794 18.120 19.000 -0.144 0.000 0.821 433 A HN 0.831 nan 8.150 nan 0.000 0.449 434 G N -1.551 107.179 108.800 -0.117 0.000 2.447 434 G HA2 -0.098 3.863 3.960 0.001 0.000 0.211 434 G HA3 -0.098 3.863 3.960 0.001 0.000 0.211 434 G C 1.674 176.523 174.900 -0.085 0.000 1.184 434 G CA 1.097 46.133 45.100 -0.107 0.000 0.813 434 G HN 0.509 nan 8.290 nan 0.000 0.540 435 C N 0.014 119.267 119.300 -0.078 0.000 2.524 435 C HA 0.364 4.825 4.460 0.001 0.000 0.284 435 C C 1.812 176.770 174.990 -0.054 0.000 1.346 435 C CA 1.239 60.228 59.018 -0.048 0.000 1.739 435 C CB -0.524 27.213 27.740 -0.005 0.000 2.119 435 C HN 0.496 nan 8.230 nan 0.000 0.501 436 S N 1.205 116.848 115.700 -0.096 0.000 3.682 436 S HA -0.169 4.302 4.470 0.001 0.000 0.354 436 S C 0.148 174.734 174.600 -0.022 0.000 1.034 436 S CA 0.706 58.853 58.200 -0.088 0.000 1.084 436 S CB -1.896 61.276 63.200 -0.047 0.000 0.903 436 S HN 0.881 nan 8.310 nan 0.000 0.470 437 S N 2.072 117.804 115.700 0.053 0.000 2.531 437 S HA 0.501 4.972 4.470 0.001 0.000 0.279 437 S C 0.642 175.418 174.600 0.293 0.000 1.305 437 S CA -0.752 57.525 58.200 0.129 0.000 1.058 437 S CB -0.045 63.269 63.200 0.190 0.000 0.899 437 S HN 0.503 nan 8.310 nan 0.000 0.493 438 F N 3.495 123.467 119.950 0.035 0.000 2.490 438 F HA 0.535 5.063 4.527 0.001 0.000 0.336 438 F C 1.336 177.188 175.800 0.087 0.000 1.178 438 F CA -1.017 57.036 58.000 0.089 0.000 1.301 438 F CB -1.222 37.830 39.000 0.086 0.000 1.175 438 F HN 0.845 nan 8.300 nan 0.000 0.593 439 G N 1.481 110.398 108.800 0.195 0.000 2.184 439 G HA2 -0.418 3.543 3.960 0.001 0.000 0.264 439 G HA3 -0.418 3.543 3.960 0.001 0.000 0.264 439 G C 0.748 175.887 174.900 0.398 0.000 0.975 439 G CA 0.530 45.706 45.100 0.128 0.000 0.642 439 G HN 1.093 nan 8.290 nan 0.000 0.536 440 Y N 1.632 122.131 120.300 0.332 0.000 2.384 440 Y HA 0.076 4.627 4.550 0.002 0.000 0.289 440 Y C 2.367 178.296 175.900 0.049 0.000 1.152 440 Y CA 2.375 60.597 58.100 0.203 0.000 1.258 440 Y CB -0.342 38.220 38.460 0.169 0.000 0.979 440 Y HN 0.228 nan 8.280 nan 0.000 0.549 441 G N 0.564 109.448 108.800 0.140 0.000 2.404 441 G HA2 -0.205 3.756 3.960 0.001 0.000 0.214 441 G HA3 -0.205 3.756 3.960 0.001 0.000 0.214 441 G C 1.706 176.575 174.900 -0.052 0.000 1.189 441 G CA 1.043 46.184 45.100 0.068 0.000 0.789 441 G HN 0.446 nan 8.290 nan 0.000 0.533 442 I N 2.030 122.593 120.570 -0.011 0.000 2.087 442 I HA -0.177 3.994 4.170 0.001 0.000 0.240 442 I C 0.129 176.152 176.117 -0.156 0.000 1.054 442 I CA 1.772 63.045 61.300 -0.045 0.000 1.311 442 I CB -1.097 36.865 38.000 -0.062 0.000 1.024 442 I HN 0.209 nan 8.210 nan 0.000 0.402 443 P HA -0.127 nan 4.420 nan 0.000 0.218 443 P C 1.326 178.359 177.300 -0.446 0.000 1.149 443 P CA 1.879 64.757 63.100 -0.370 0.000 0.817 443 P CB -0.032 31.367 31.700 -0.501 0.000 0.785 444 A N 0.410 122.889 122.820 -0.570 0.000 1.968 444 A HA 0.056 4.377 4.320 0.001 0.000 0.217 444 A C 2.437 179.848 177.584 -0.288 0.000 1.169 444 A CA 1.774 53.466 52.037 -0.574 0.000 0.638 444 A CB -1.355 17.097 19.000 -0.913 0.000 0.812 444 A HN 0.224 nan 8.150 nan 0.000 0.446 445 A N -0.091 122.613 122.820 -0.193 0.000 1.929 445 A HA 0.039 4.360 4.320 0.001 0.000 0.216 445 A C 2.059 179.601 177.584 -0.071 0.000 1.176 445 A CA 1.209 53.199 52.037 -0.078 0.000 0.628 445 A CB -0.523 18.472 19.000 -0.008 0.000 0.816 445 A HN 0.455 nan 8.150 nan 0.000 0.444 446 I N -0.141 120.367 120.570 -0.103 0.000 2.163 446 I HA -0.244 3.927 4.170 0.001 0.000 0.243 446 I C 2.679 178.744 176.117 -0.086 0.000 1.085 446 I CA 1.339 62.594 61.300 -0.075 0.000 1.347 446 I CB -0.507 37.436 38.000 -0.094 0.000 1.044 446 I HN 0.401 nan 8.210 nan 0.000 0.408 447 G N 0.084 108.771 108.800 -0.188 0.000 2.402 447 G HA2 -0.179 3.782 3.960 0.001 0.000 0.216 447 G HA3 -0.179 3.782 3.960 0.001 0.000 0.216 447 G C 1.854 176.698 174.900 -0.093 0.000 1.162 447 G CA 0.743 45.732 45.100 -0.184 0.000 0.777 447 G HN 0.487 nan 8.290 nan 0.000 0.539 448 A N 0.321 123.084 122.820 -0.094 0.000 1.877 448 A HA -0.114 4.207 4.320 0.001 0.000 0.216 448 A C 2.321 179.902 177.584 -0.005 0.000 1.186 448 A CA 2.297 54.308 52.037 -0.043 0.000 0.620 448 A CB -0.533 18.444 19.000 -0.037 0.000 0.822 448 A HN 0.392 nan 8.150 nan 0.000 0.443 449 Q N -0.522 119.279 119.800 0.002 0.000 2.135 449 Q HA -0.088 4.253 4.340 0.001 0.000 0.204 449 Q C 1.937 177.954 176.000 0.029 0.000 0.981 449 Q CA 2.109 57.927 55.803 0.024 0.000 0.856 449 Q CB -0.424 28.335 28.738 0.034 0.000 0.902 449 Q HN 0.705 nan 8.270 nan 0.000 0.425 450 M N -1.289 118.330 119.600 0.031 0.000 2.254 450 M HA -0.012 4.469 4.480 0.001 0.000 0.265 450 M C 1.966 178.291 176.300 0.043 0.000 1.066 450 M CA 1.235 56.565 55.300 0.050 0.000 1.123 450 M CB -0.095 32.563 32.600 0.096 0.000 1.388 450 M HN 0.293 nan 8.290 nan 0.000 0.425 451 A N 0.281 123.120 122.820 0.032 0.000 2.066 451 A HA -0.001 4.320 4.320 0.001 0.000 0.218 451 A C 1.209 178.813 177.584 0.034 0.000 1.157 451 A CA 0.962 53.017 52.037 0.031 0.000 0.670 451 A CB -0.134 18.878 19.000 0.020 0.000 0.804 451 A HN 0.410 nan 8.150 nan 0.000 0.453 452 R N -0.544 119.975 120.500 0.031 0.000 2.748 452 R HA 0.209 4.550 4.340 0.001 0.000 0.283 452 R C -2.214 174.103 176.300 0.029 0.000 1.507 452 R CA -1.520 54.599 56.100 0.031 0.000 1.666 452 R CB 0.882 31.201 30.300 0.032 0.000 1.237 452 R HN 0.223 nan 8.270 nan 0.000 0.633 453 P HA -0.152 nan 4.420 nan 0.000 0.219 453 P C 0.083 177.399 177.300 0.027 0.000 1.146 453 P CA 1.274 64.391 63.100 0.029 0.000 0.808 453 P CB 0.376 32.092 31.700 0.026 0.000 0.779 454 D N -1.397 119.018 120.400 0.024 0.000 2.398 454 D HA 0.081 4.722 4.640 0.001 0.000 0.210 454 D C 0.672 176.983 176.300 0.019 0.000 1.094 454 D CA 0.210 54.223 54.000 0.022 0.000 0.839 454 D CB 0.441 41.252 40.800 0.019 0.000 0.963 454 D HN 0.355 nan 8.370 nan 0.000 0.506 455 Q N 1.302 121.112 119.800 0.018 0.000 2.205 455 Q HA 0.373 4.714 4.340 0.001 0.000 0.249 455 Q C -2.378 173.626 176.000 0.007 0.000 0.948 455 Q CA -1.834 53.972 55.803 0.006 0.000 0.895 455 Q CB 1.201 29.941 28.738 0.004 0.000 1.249 455 Q HN -0.049 nan 8.270 nan 0.000 0.458 456 P HA 0.120 nan 4.420 nan 0.000 0.278 456 P C -0.986 176.292 177.300 -0.038 0.000 1.238 456 P CA -0.274 62.812 63.100 -0.023 0.000 0.794 456 P CB 0.846 32.470 31.700 -0.127 0.000 0.955 457 T N 2.929 117.543 114.554 0.101 0.000 2.965 457 T HA 0.468 4.819 4.350 0.001 0.000 0.306 457 T C -0.867 174.074 174.700 0.401 0.000 0.991 457 T CA -0.104 62.083 62.100 0.145 0.000 1.001 457 T CB -0.046 68.887 68.868 0.109 0.000 0.984 457 T HN 0.064 nan 8.240 nan 0.000 0.446 458 F N 2.843 122.830 119.950 0.062 0.000 2.450 458 F HA 0.742 5.270 4.527 0.001 0.000 0.332 458 F C -0.111 175.728 175.800 0.065 0.000 1.093 458 F CA -2.121 55.918 58.000 0.066 0.000 1.003 458 F CB 1.554 40.602 39.000 0.080 0.000 1.151 458 F HN 0.304 nan 8.300 nan 0.000 0.474 459 L N 5.068 126.413 121.223 0.204 0.000 2.362 459 L HA 0.645 4.986 4.340 0.001 0.000 0.275 459 L C -1.328 175.584 176.870 0.071 0.000 0.998 459 L CA -0.515 54.404 54.840 0.132 0.000 0.820 459 L CB 1.529 43.643 42.059 0.092 0.000 1.270 459 L HN 0.581 nan 8.230 nan 0.000 0.415 460 I N 4.804 125.447 120.570 0.121 0.000 2.404 460 I HA 0.859 5.030 4.170 0.001 0.000 0.293 460 I C -0.863 175.275 176.117 0.034 0.000 0.992 460 I CA -0.284 61.039 61.300 0.038 0.000 1.149 460 I CB 1.466 39.551 38.000 0.140 0.000 1.315 460 I HN 0.915 nan 8.210 nan 0.000 0.446 461 A N 4.989 127.640 122.820 -0.281 0.000 2.572 461 A HA 0.777 5.098 4.320 0.001 0.000 0.295 461 A C -0.412 176.704 177.584 -0.780 0.000 1.072 461 A CA -0.354 51.495 52.037 -0.314 0.000 0.691 461 A CB 1.298 20.338 19.000 0.066 0.000 1.291 461 A HN 0.815 nan 8.150 nan 0.000 0.404 462 G N -0.200 108.111 108.800 -0.815 0.000 2.580 462 G HA2 0.407 4.368 3.960 0.001 0.000 0.278 462 G HA3 0.407 4.368 3.960 0.001 0.000 0.278 462 G C 0.491 175.277 174.900 -0.190 0.000 1.212 462 G CA 0.401 45.223 45.100 -0.463 0.000 0.939 462 G HN 0.824 nan 8.290 nan 0.000 0.513 463 D N -0.503 119.832 120.400 -0.108 0.000 2.144 463 D HA -0.083 4.558 4.640 0.001 0.000 0.200 463 D C 2.176 178.520 176.300 0.074 0.000 0.978 463 D CA 1.255 55.194 54.000 -0.101 0.000 0.833 463 D CB -0.789 40.075 40.800 0.108 0.000 0.961 463 D HN 0.465 nan 8.370 nan 0.000 0.470 464 G N 0.932 109.856 108.800 0.207 0.000 2.433 464 G HA2 -0.161 3.800 3.960 0.001 0.000 0.216 464 G HA3 -0.161 3.800 3.960 0.001 0.000 0.216 464 G C 1.774 176.706 174.900 0.054 0.000 1.186 464 G CA 1.164 46.401 45.100 0.227 0.000 0.779 464 G HN 0.471 nan 8.290 nan 0.000 0.543 465 G N 0.081 108.975 108.800 0.157 0.000 2.402 465 G HA2 -0.124 3.836 3.960 0.001 0.000 0.216 465 G HA3 -0.124 3.836 3.960 0.001 0.000 0.216 465 G C 1.640 176.477 174.900 -0.105 0.000 1.162 465 G CA 0.803 45.905 45.100 0.003 0.000 0.777 465 G HN 0.307 nan 8.290 nan 0.000 0.539 466 F N 1.009 120.887 119.950 -0.121 0.000 2.126 466 F HA -0.098 4.430 4.527 0.001 0.000 0.299 466 F C 2.440 178.205 175.800 -0.058 0.000 1.096 466 F CA 1.916 59.830 58.000 -0.143 0.000 1.255 466 F CB -0.275 38.533 39.000 -0.320 0.000 0.997 466 F HN 0.249 nan 8.300 nan 0.000 0.479 467 H N -0.314 118.669 119.070 -0.146 0.000 2.462 467 H HA -0.024 4.532 4.556 0.001 0.000 0.292 467 H C 2.522 177.649 175.328 -0.336 0.000 1.049 467 H CA 1.147 57.101 56.048 -0.158 0.000 1.334 467 H CB -0.447 29.310 29.762 -0.008 0.000 1.404 467 H HN 0.338 nan 8.280 nan 0.000 0.544 468 S N -0.635 114.776 115.700 -0.482 0.000 2.420 468 S HA -0.192 4.278 4.470 0.001 0.000 0.237 468 S C 1.469 175.758 174.600 -0.517 0.000 1.023 468 S CA 1.700 59.494 58.200 -0.677 0.000 0.991 468 S CB -0.108 62.219 63.200 -1.454 0.000 0.792 468 S HN 0.443 nan 8.310 nan 0.000 0.488 469 N N -0.014 118.412 118.700 -0.456 0.000 2.547 469 N HA 0.229 4.970 4.740 0.001 0.000 0.285 469 N C 0.668 175.936 175.510 -0.402 0.000 1.600 469 N CA 0.510 53.352 53.050 -0.345 0.000 0.872 469 N CB 0.608 38.988 38.487 -0.178 0.000 1.412 469 N HN 0.380 nan 8.380 nan 0.000 0.489 470 S N -2.169 113.242 115.700 -0.482 0.000 2.522 470 S HA 0.026 4.497 4.470 0.001 0.000 0.227 470 S C 1.588 176.030 174.600 -0.264 0.000 0.986 470 S CA 0.376 58.245 58.200 -0.553 0.000 0.929 470 S CB -0.010 62.994 63.200 -0.327 0.000 0.769 470 S HN 0.129 nan 8.310 nan 0.000 0.529 471 S N 1.972 117.557 115.700 -0.192 0.000 2.474 471 S HA -0.012 4.459 4.470 0.001 0.000 0.235 471 S C 1.101 175.669 174.600 -0.054 0.000 0.997 471 S CA 0.681 58.827 58.200 -0.091 0.000 0.949 471 S CB -0.309 62.852 63.200 -0.064 0.000 0.766 471 S HN 0.541 nan 8.310 nan 0.000 0.517 472 D N 1.162 121.517 120.400 -0.076 0.000 2.336 472 D HA 0.121 4.762 4.640 0.001 0.000 0.229 472 D C 1.463 177.750 176.300 -0.022 0.000 1.061 472 D CA 0.063 54.040 54.000 -0.038 0.000 0.875 472 D CB 0.035 40.811 40.800 -0.041 0.000 0.904 472 D HN 0.350 nan 8.370 nan 0.000 0.525 473 L N 0.763 121.976 121.223 -0.018 0.000 2.043 473 L HA -0.189 4.152 4.340 0.001 0.000 0.212 473 L C 2.536 179.428 176.870 0.036 0.000 1.075 473 L CA 1.186 56.051 54.840 0.041 0.000 0.752 473 L CB -0.231 41.879 42.059 0.085 0.000 0.891 473 L HN 0.011 nan 8.230 nan 0.000 0.432 474 E N -0.293 119.921 120.200 0.024 0.000 2.153 474 E HA -0.193 4.158 4.350 0.001 0.000 0.194 474 E C 1.934 178.550 176.600 0.026 0.000 0.988 474 E CA 1.738 58.153 56.400 0.026 0.000 0.811 474 E CB 0.070 29.782 29.700 0.022 0.000 0.746 474 E HN 0.467 nan 8.360 nan 0.000 0.466 475 T N 1.129 115.696 114.554 0.022 0.000 2.857 475 T HA -0.025 4.326 4.350 0.001 0.000 0.266 475 T C 2.039 176.755 174.700 0.027 0.000 1.048 475 T CA 0.878 62.992 62.100 0.024 0.000 1.139 475 T CB -0.062 68.818 68.868 0.020 0.000 0.874 475 T HN 0.170 nan 8.240 nan 0.000 0.455 476 I N 1.354 121.941 120.570 0.029 0.000 2.226 476 I HA -0.165 4.006 4.170 0.001 0.000 0.245 476 I C 2.930 179.072 176.117 0.041 0.000 1.100 476 I CA 1.049 62.371 61.300 0.037 0.000 1.374 476 I CB -0.462 37.566 38.000 0.047 0.000 1.057 476 I HN 0.195 nan 8.210 nan 0.000 0.413 477 A N 0.732 123.577 122.820 0.041 0.000 1.877 477 A HA -0.257 4.063 4.320 0.001 0.000 0.216 477 A C 2.425 180.029 177.584 0.034 0.000 1.186 477 A CA 1.862 53.923 52.037 0.040 0.000 0.620 477 A CB -0.646 18.377 19.000 0.038 0.000 0.822 477 A HN 0.331 nan 8.150 nan 0.000 0.443 478 R N -0.494 120.024 120.500 0.029 0.000 2.092 478 R HA 0.013 4.354 4.340 0.001 0.000 0.231 478 R C 1.686 177.999 176.300 0.022 0.000 1.119 478 R CA 1.370 57.485 56.100 0.025 0.000 0.970 478 R CB -0.303 30.011 30.300 0.023 0.000 0.864 478 R HN 0.525 nan 8.270 nan 0.000 0.440 479 L N 0.236 121.473 121.223 0.023 0.000 2.492 479 L HA 0.052 4.392 4.340 0.001 0.000 0.223 479 L C 0.402 177.288 176.870 0.026 0.000 1.132 479 L CA 0.049 54.902 54.840 0.021 0.000 0.850 479 L CB -0.291 41.782 42.059 0.024 0.000 0.966 479 L HN 0.319 nan 8.230 nan 0.000 0.454 480 N N 0.914 119.633 118.700 0.032 0.000 2.738 480 N HA -0.202 4.539 4.740 0.001 0.000 0.249 480 N C -0.664 174.871 175.510 0.041 0.000 1.047 480 N CA 0.406 53.479 53.050 0.037 0.000 0.707 480 N CB -1.310 37.196 38.487 0.031 0.000 0.937 480 N HN 0.243 nan 8.380 nan 0.000 0.545 481 L N 0.728 121.978 121.223 0.045 0.000 2.278 481 L HA 0.379 4.720 4.340 0.001 0.000 0.287 481 L C -1.370 175.539 176.870 0.064 0.000 1.072 481 L CA -1.629 53.241 54.840 0.050 0.000 0.819 481 L CB 1.014 43.100 42.059 0.046 0.000 1.176 481 L HN 0.077 nan 8.230 nan 0.000 0.435 482 P HA 0.135 nan 4.420 nan 0.000 0.225 482 P C -0.022 177.348 177.300 0.117 0.000 1.768 482 P CA 0.031 63.185 63.100 0.089 0.000 0.943 482 P CB -0.246 31.501 31.700 0.078 0.000 1.936 483 I N 0.305 120.942 120.570 0.111 0.000 2.638 483 I HA 0.103 4.274 4.170 0.001 0.000 0.286 483 I C 0.554 176.748 176.117 0.128 0.000 1.088 483 I CA -0.502 60.876 61.300 0.130 0.000 1.397 483 I CB 1.215 39.273 38.000 0.095 0.000 1.414 483 I HN -0.120 nan 8.210 nan 0.000 0.566 484 V N 4.773 124.765 119.914 0.129 0.000 2.384 484 V HA 0.338 4.458 4.120 0.001 0.000 0.287 484 V C -0.081 175.965 176.094 -0.079 0.000 1.020 484 V CA -0.503 61.794 62.300 -0.005 0.000 0.850 484 V CB 1.419 33.103 31.823 -0.231 0.000 0.987 484 V HN 0.740 nan 8.190 nan 0.000 0.436 485 T N 4.376 118.867 114.554 -0.105 0.000 2.797 485 T HA 0.574 4.925 4.350 0.001 0.000 0.279 485 T C -0.322 174.216 174.700 -0.269 0.000 0.991 485 T CA -0.422 61.578 62.100 -0.166 0.000 0.979 485 T CB 1.734 70.498 68.868 -0.174 0.000 0.943 485 T HN 0.335 nan 8.240 nan 0.000 0.444 486 V N 3.998 123.749 119.914 -0.271 0.000 2.357 486 V HA 0.340 4.461 4.120 0.001 0.000 0.284 486 V C -0.064 175.771 176.094 -0.431 0.000 1.018 486 V CA -0.792 61.325 62.300 -0.305 0.000 0.841 486 V CB 1.483 33.181 31.823 -0.207 0.000 0.991 486 V HN 0.717 nan 8.190 nan 0.000 0.437 487 V N 6.247 125.823 119.914 -0.563 0.000 2.364 487 V HA 0.271 4.392 4.120 0.001 0.000 0.272 487 V C 0.167 175.955 176.094 -0.510 0.000 1.036 487 V CA -0.535 61.330 62.300 -0.724 0.000 0.880 487 V CB 1.667 32.822 31.823 -1.113 0.000 0.991 487 V HN 0.728 nan 8.190 nan 0.000 0.460 488 V N 2.484 122.113 119.914 -0.475 0.000 2.334 488 V HA 0.543 4.664 4.120 0.001 0.000 0.267 488 V C -0.014 175.923 176.094 -0.263 0.000 1.040 488 V CA -0.513 61.584 62.300 -0.339 0.000 0.866 488 V CB 0.973 32.605 31.823 -0.318 0.000 1.019 488 V HN 0.746 nan 8.190 nan 0.000 0.468 489 N N 4.887 123.481 118.700 -0.175 0.000 2.444 489 N HA 0.364 5.105 4.740 0.001 0.000 0.262 489 N C 0.186 175.692 175.510 -0.006 0.000 0.974 489 N CA -0.451 52.570 53.050 -0.048 0.000 0.933 489 N CB 1.424 39.940 38.487 0.048 0.000 1.137 489 N HN 0.873 nan 8.380 nan 0.000 0.498 490 N N 2.390 121.128 118.700 0.064 0.000 2.291 490 N HA 0.064 4.805 4.740 0.001 0.000 0.244 490 N C -1.044 174.551 175.510 0.141 0.000 1.216 490 N CA -0.216 52.867 53.050 0.056 0.000 0.879 490 N CB -0.015 38.479 38.487 0.012 0.000 1.167 490 N HN 0.414 nan 8.380 nan 0.000 0.515 491 D N 0.090 120.614 120.400 0.206 0.000 2.737 491 D HA -0.148 4.493 4.640 0.001 0.000 0.233 491 D C -0.906 175.597 176.300 0.338 0.000 1.155 491 D CA 1.229 55.405 54.000 0.293 0.000 0.667 491 D CB -1.607 39.298 40.800 0.175 0.000 1.060 491 D HN 0.461 nan 8.370 nan 0.000 0.427 492 T N 0.090 114.878 114.554 0.389 0.000 2.942 492 T HA 0.182 4.533 4.350 0.001 0.000 0.327 492 T C -0.193 174.707 174.700 0.334 0.000 1.360 492 T CA -0.853 61.359 62.100 0.187 0.000 1.055 492 T CB 1.442 70.408 68.868 0.163 0.000 1.261 492 T HN -0.154 nan 8.240 nan 0.000 0.485 493 N N 1.833 120.634 118.700 0.168 0.000 2.549 493 N HA 0.204 4.945 4.740 0.001 0.000 0.267 493 N C 1.421 177.051 175.510 0.200 0.000 1.182 493 N CA 0.015 53.228 53.050 0.272 0.000 1.019 493 N CB 0.842 39.454 38.487 0.209 0.000 1.380 493 N HN 0.885 nan 8.380 nan 0.000 0.505 494 G N 1.835 110.799 108.800 0.274 0.000 2.418 494 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 494 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 494 G C 1.414 176.341 174.900 0.044 0.000 1.158 494 G CA 0.072 45.324 45.100 0.252 0.000 0.771 494 G HN 0.505 nan 8.290 nan 0.000 0.545 495 L N 0.402 121.639 121.223 0.023 0.000 2.079 495 L HA -0.098 4.243 4.340 0.001 0.000 0.210 495 L C 2.575 179.435 176.870 -0.017 0.000 1.081 495 L CA 1.218 56.011 54.840 -0.078 0.000 0.752 495 L CB -0.220 41.902 42.059 0.105 0.000 0.896 495 L HN 0.126 nan 8.230 nan 0.000 0.433 496 I N -0.227 120.380 120.570 0.063 0.000 2.406 496 I HA -0.228 3.943 4.170 0.001 0.000 0.249 496 I C 2.394 178.527 176.117 0.026 0.000 1.122 496 I CA 1.014 62.361 61.300 0.079 0.000 1.431 496 I CB -1.277 36.754 38.000 0.052 0.000 1.087 496 I HN 0.358 nan 8.210 nan 0.000 0.424 497 E N 1.295 121.499 120.200 0.007 0.000 2.118 497 E HA -0.228 4.123 4.350 0.001 0.000 0.195 497 E C 2.407 178.904 176.600 -0.171 0.000 0.992 497 E CA 0.990 57.403 56.400 0.021 0.000 0.804 497 E CB 0.005 29.816 29.700 0.186 0.000 0.741 497 E HN 0.386 nan 8.360 nan 0.000 0.458 498 L N -0.032 120.857 121.223 -0.557 0.000 2.017 498 L HA -0.214 4.127 4.340 0.001 0.000 0.208 498 L C 2.037 178.540 176.870 -0.612 0.000 1.073 498 L CA 1.652 55.841 54.840 -1.085 0.000 0.745 498 L CB -0.385 40.734 42.059 -1.566 0.000 0.894 498 L HN 0.306 nan 8.230 nan 0.000 0.432 499 Y N 0.589 120.674 120.300 -0.358 0.000 2.274 499 Y HA -0.254 4.297 4.550 0.001 0.000 0.290 499 Y C 2.836 178.667 175.900 -0.116 0.000 1.145 499 Y CA 1.407 59.376 58.100 -0.217 0.000 1.203 499 Y CB -0.333 38.037 38.460 -0.150 0.000 0.984 499 Y HN 0.340 nan 8.280 nan 0.000 0.533 500 Q N -0.293 119.546 119.800 0.064 0.000 2.084 500 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 500 Q C 1.888 177.945 176.000 0.095 0.000 0.978 500 Q CA 1.377 57.247 55.803 0.111 0.000 0.844 500 Q CB -0.223 28.547 28.738 0.054 0.000 0.898 500 Q HN 0.544 nan 8.270 nan 0.000 0.426 501 N N 0.475 119.168 118.700 -0.012 0.000 2.216 501 N HA -0.062 4.679 4.740 0.001 0.000 0.183 501 N C 1.881 177.346 175.510 -0.074 0.000 1.017 501 N CA 0.866 53.916 53.050 0.000 0.000 0.861 501 N CB 0.018 38.521 38.487 0.028 0.000 0.986 501 N HN 0.235 nan 8.380 nan 0.000 0.428 502 I N 0.805 121.288 120.570 -0.146 0.000 2.226 502 I HA -0.180 3.991 4.170 0.001 0.000 0.245 502 I C 2.434 178.392 176.117 -0.266 0.000 1.100 502 I CA 1.347 62.551 61.300 -0.160 0.000 1.374 502 I CB -0.405 37.487 38.000 -0.181 0.000 1.057 502 I HN 0.141 nan 8.210 nan 0.000 0.413 503 G N -1.094 107.574 108.800 -0.219 0.000 2.426 503 G HA2 -0.147 3.814 3.960 0.001 0.000 0.214 503 G HA3 -0.147 3.814 3.960 0.001 0.000 0.214 503 G C 1.084 175.594 174.900 -0.651 0.000 1.156 503 G CA 0.499 45.366 45.100 -0.388 0.000 0.802 503 G HN 0.460 nan 8.290 nan 0.000 0.534 504 H N -1.946 116.962 119.070 -0.271 0.000 3.233 504 H HA 0.231 4.788 4.556 0.001 0.000 0.263 504 H C 0.510 175.768 175.328 -0.116 0.000 1.168 504 H CA -0.370 55.572 56.048 -0.177 0.000 1.159 504 H CB 0.456 30.173 29.762 -0.075 0.000 1.593 504 H HN 0.268 nan 8.280 nan 0.000 0.580 505 H N 0.443 119.576 119.070 0.105 0.000 2.861 505 H HA -0.184 4.373 4.556 0.002 0.000 0.289 505 H C 0.172 175.556 175.328 0.094 0.000 1.176 505 H CA 1.413 57.510 56.048 0.081 0.000 1.146 505 H CB -1.276 28.520 29.762 0.057 0.000 1.330 505 H HN 0.624 nan 8.280 nan 0.000 0.379 506 R N -2.064 118.540 120.500 0.173 0.000 2.741 506 R HA 0.627 4.968 4.340 0.001 0.000 0.276 506 R C -1.121 175.243 176.300 0.108 0.000 1.028 506 R CA -0.742 55.440 56.100 0.137 0.000 0.865 506 R CB 1.018 31.389 30.300 0.118 0.000 1.268 506 R HN -0.041 nan 8.270 nan 0.000 0.475 507 S N -0.287 115.474 115.700 0.102 0.000 2.672 507 S HA 0.353 4.824 4.470 0.001 0.000 0.276 507 S C -1.053 173.613 174.600 0.109 0.000 1.207 507 S CA -0.384 57.870 58.200 0.091 0.000 1.002 507 S CB 0.576 63.829 63.200 0.087 0.000 0.998 507 S HN 0.605 nan 8.310 nan 0.000 0.542 508 H N 0.487 119.539 119.070 -0.031 0.000 3.177 508 H HA 0.327 4.884 4.556 0.001 0.000 0.314 508 H C -0.295 175.007 175.328 -0.044 0.000 1.059 508 H CA -0.532 55.488 56.048 -0.047 0.000 1.515 508 H CB 0.425 30.137 29.762 -0.083 0.000 1.672 508 H HN 0.449 nan 8.280 nan 0.000 0.514 509 D N 4.639 124.849 120.400 -0.317 0.000 2.144 509 D HA -0.079 4.561 4.640 0.001 0.000 0.199 509 D C -0.822 175.310 176.300 -0.280 0.000 0.984 509 D CA 0.656 54.514 54.000 -0.237 0.000 0.834 509 D CB -0.765 39.930 40.800 -0.175 0.000 0.955 509 D HN 0.537 nan 8.370 nan 0.000 0.465 510 P HA -0.055 nan 4.420 nan 0.000 0.223 510 P C 0.718 177.944 177.300 -0.124 0.000 1.144 510 P CA 1.236 64.192 63.100 -0.240 0.000 0.783 510 P CB 0.054 31.610 31.700 -0.240 0.000 0.771 511 A N -1.278 121.488 122.820 -0.090 0.000 2.267 511 A HA 0.174 4.495 4.320 0.001 0.000 0.213 511 A C 1.556 179.092 177.584 -0.081 0.000 1.192 511 A CA 0.966 52.989 52.037 -0.023 0.000 0.851 511 A CB -0.351 18.686 19.000 0.062 0.000 0.881 511 A HN 0.190 nan 8.150 nan 0.000 0.494 512 V N -6.017 113.799 119.914 -0.163 0.000 3.356 512 V HA 0.347 4.468 4.120 0.001 0.000 0.274 512 V C -0.247 175.564 176.094 -0.472 0.000 1.631 512 V CA -0.394 61.766 62.300 -0.234 0.000 1.025 512 V CB -0.153 31.616 31.823 -0.089 0.000 0.840 512 V HN 0.042 nan 8.190 nan 0.000 0.419 513 K N 1.577 121.729 120.400 -0.413 0.000 2.156 513 K HA 0.680 5.001 4.320 0.001 0.000 0.271 513 K C -1.202 175.130 176.600 -0.446 0.000 0.995 513 K CA -0.284 55.774 56.287 -0.381 0.000 0.890 513 K CB 1.753 34.159 32.500 -0.156 0.000 1.073 513 K HN 0.301 nan 8.250 nan 0.000 0.454 514 F N -0.593 119.392 119.950 0.058 0.000 2.541 514 F HA 0.482 5.010 4.527 0.002 0.000 0.331 514 F C 1.436 177.251 175.800 0.024 0.000 1.057 514 F CA -0.800 57.230 58.000 0.049 0.000 0.975 514 F CB 0.685 39.729 39.000 0.073 0.000 1.246 514 F HN 0.568 nan 8.300 nan 0.000 0.484 515 G N -0.444 108.487 108.800 0.219 0.000 2.553 515 G HA2 0.448 4.409 3.960 0.001 0.000 0.278 515 G HA3 0.448 4.409 3.960 0.001 0.000 0.278 515 G C -0.090 174.855 174.900 0.075 0.000 1.349 515 G CA -0.435 44.729 45.100 0.105 0.000 1.037 515 G HN 0.894 nan 8.290 nan 0.000 0.508 516 G N -1.865 106.938 108.800 0.004 0.000 2.415 516 G HA2 0.467 4.428 3.960 0.001 0.000 0.269 516 G HA3 0.467 4.428 3.960 0.001 0.000 0.269 516 G C -0.840 173.961 174.900 -0.165 0.000 1.209 516 G CA -0.134 44.934 45.100 -0.052 0.000 0.835 516 G HN 0.619 nan 8.290 nan 0.000 0.534 517 V N 2.362 122.092 119.914 -0.306 0.000 2.588 517 V HA 0.256 4.377 4.120 0.001 0.000 0.304 517 V C -0.840 174.844 176.094 -0.682 0.000 1.042 517 V CA -0.920 61.002 62.300 -0.630 0.000 0.877 517 V CB 2.046 33.175 31.823 -1.157 0.000 0.996 517 V HN 0.756 nan 8.190 nan 0.000 0.425 518 D N 3.285 123.378 120.400 -0.511 0.000 2.468 518 D HA 0.283 4.924 4.640 0.001 0.000 0.218 518 D C 0.573 176.674 176.300 -0.331 0.000 1.155 518 D CA -0.264 53.551 54.000 -0.310 0.000 0.924 518 D CB 0.564 41.258 40.800 -0.177 0.000 1.029 518 D HN 0.372 nan 8.370 nan 0.000 0.515 519 F N 1.792 121.670 119.950 -0.120 0.000 2.365 519 F HA -0.118 4.410 4.527 0.001 0.000 0.300 519 F C 2.319 178.054 175.800 -0.109 0.000 1.090 519 F CA 0.172 58.109 58.000 -0.105 0.000 1.408 519 F CB -0.184 38.723 39.000 -0.156 0.000 1.060 519 F HN 0.258 nan 8.300 nan 0.000 0.534 520 V N 0.005 119.930 119.914 0.019 0.000 2.270 520 V HA -0.295 3.826 4.120 0.001 0.000 0.245 520 V C 2.603 178.672 176.094 -0.041 0.000 1.043 520 V CA 1.906 64.178 62.300 -0.048 0.000 1.014 520 V CB -1.267 30.517 31.823 -0.065 0.000 0.645 520 V HN 0.346 nan 8.190 nan 0.000 0.447 521 A N -0.491 122.300 122.820 -0.048 0.000 1.930 521 A HA -0.175 4.145 4.320 0.001 0.000 0.217 521 A C 2.162 179.732 177.584 -0.023 0.000 1.175 521 A CA 1.919 53.931 52.037 -0.042 0.000 0.627 521 A CB -0.568 18.398 19.000 -0.057 0.000 0.815 521 A HN 0.443 nan 8.150 nan 0.000 0.443 522 L N -0.201 121.010 121.223 -0.019 0.000 2.012 522 L HA -0.143 4.198 4.340 0.001 0.000 0.210 522 L C 2.785 179.702 176.870 0.077 0.000 1.073 522 L CA 2.165 57.028 54.840 0.037 0.000 0.748 522 L CB -0.627 41.481 42.059 0.082 0.000 0.891 522 L HN 0.367 nan 8.230 nan 0.000 0.431 523 A N -0.937 121.933 122.820 0.083 0.000 1.865 523 A HA -0.289 4.032 4.320 0.001 0.000 0.217 523 A C 2.241 179.838 177.584 0.021 0.000 1.191 523 A CA 2.073 54.143 52.037 0.056 0.000 0.623 523 A CB -0.783 18.211 19.000 -0.010 0.000 0.826 523 A HN 0.565 nan 8.150 nan 0.000 0.444 524 E N -0.596 119.603 120.200 -0.001 0.000 2.153 524 E HA -0.046 4.305 4.350 0.001 0.000 0.194 524 E C 2.192 178.798 176.600 0.010 0.000 0.988 524 E CA 0.848 57.248 56.400 -0.001 0.000 0.811 524 E CB -0.247 29.446 29.700 -0.011 0.000 0.746 524 E HN 0.618 nan 8.360 nan 0.000 0.466 525 A N 1.226 124.053 122.820 0.011 0.000 1.972 525 A HA -0.175 4.146 4.320 0.001 0.000 0.219 525 A C 1.684 179.280 177.584 0.020 0.000 1.169 525 A CA 1.228 53.272 52.037 0.013 0.000 0.635 525 A CB -0.312 18.695 19.000 0.011 0.000 0.810 525 A HN 0.196 nan 8.150 nan 0.000 0.446 526 N N -0.663 118.054 118.700 0.029 0.000 2.461 526 N HA 0.104 4.845 4.740 0.001 0.000 0.188 526 N C 0.963 176.492 175.510 0.030 0.000 1.134 526 N CA 0.832 53.900 53.050 0.031 0.000 0.878 526 N CB 0.236 38.749 38.487 0.043 0.000 0.972 526 N HN 0.636 nan 8.380 nan 0.000 0.456 527 G N 0.655 109.471 108.800 0.027 0.000 2.147 527 G HA2 -0.242 3.719 3.960 0.001 0.000 0.244 527 G HA3 -0.242 3.719 3.960 0.001 0.000 0.244 527 G C -0.207 174.715 174.900 0.037 0.000 1.005 527 G CA -0.078 45.040 45.100 0.029 0.000 0.713 527 G HN 0.174 nan 8.290 nan 0.000 0.515 528 V N 1.193 121.126 119.914 0.033 0.000 2.384 528 V HA 0.377 4.497 4.120 0.001 0.000 0.287 528 V C 0.110 176.210 176.094 0.011 0.000 1.020 528 V CA -1.229 61.092 62.300 0.034 0.000 0.850 528 V CB 1.635 33.476 31.823 0.029 0.000 0.987 528 V HN 0.265 nan 8.190 nan 0.000 0.436 529 D N 3.557 123.994 120.400 0.062 0.000 2.423 529 D HA 0.565 5.206 4.640 0.001 0.000 0.238 529 D C 0.159 176.341 176.300 -0.197 0.000 1.142 529 D CA 0.586 54.630 54.000 0.072 0.000 0.884 529 D CB 1.777 42.744 40.800 0.279 0.000 1.199 529 D HN 0.805 nan 8.370 nan 0.000 0.438 530 A N 1.060 123.721 122.820 -0.265 0.000 2.609 530 A HA 0.694 5.015 4.320 0.001 0.000 0.291 530 A C -0.558 176.834 177.584 -0.320 0.000 1.096 530 A CA -0.584 51.100 52.037 -0.588 0.000 0.684 530 A CB 2.338 21.122 19.000 -0.360 0.000 1.282 530 A HN 0.429 nan 8.150 nan 0.000 0.412 531 T N -0.668 113.679 114.554 -0.345 0.000 2.843 531 T HA 0.597 4.948 4.350 0.001 0.000 0.302 531 T C -0.851 173.786 174.700 -0.106 0.000 1.232 531 T CA -0.552 61.486 62.100 -0.103 0.000 1.009 531 T CB 1.394 70.303 68.868 0.068 0.000 1.254 531 T HN 0.892 nan 8.240 nan 0.000 0.504 532 R N 0.994 121.461 120.500 -0.055 0.000 2.459 532 R HA 0.777 5.118 4.340 0.001 0.000 0.281 532 R C -1.089 175.190 176.300 -0.035 0.000 1.050 532 R CA -0.342 55.727 56.100 -0.052 0.000 1.055 532 R CB 0.901 31.178 30.300 -0.038 0.000 1.045 532 R HN 0.733 nan 8.270 nan 0.000 0.495 533 A N 1.616 124.409 122.820 -0.046 0.000 2.459 533 A HA 0.338 4.659 4.320 0.001 0.000 0.296 533 A C -0.121 177.438 177.584 -0.042 0.000 1.039 533 A CA -0.567 51.449 52.037 -0.035 0.000 0.698 533 A CB 1.695 20.674 19.000 -0.034 0.000 1.261 533 A HN 0.861 nan 8.150 nan 0.000 0.405 534 T N -1.754 112.782 114.554 -0.031 0.000 3.043 534 T HA 0.333 4.684 4.350 0.001 0.000 0.272 534 T C 0.179 174.867 174.700 -0.021 0.000 0.990 534 T CA 0.484 62.566 62.100 -0.030 0.000 0.897 534 T CB -0.689 68.165 68.868 -0.023 0.000 1.111 534 T HN 1.003 nan 8.240 nan 0.000 0.529 535 N N -0.352 118.337 118.700 -0.018 0.000 3.039 535 N HA 0.433 5.174 4.740 0.001 0.000 0.257 535 N C 0.402 175.906 175.510 -0.010 0.000 1.497 535 N CA -1.182 51.862 53.050 -0.010 0.000 0.861 535 N CB 0.927 39.410 38.487 -0.006 0.000 1.479 535 N HN -0.197 nan 8.380 nan 0.000 0.547 536 R N -0.225 120.273 120.500 -0.004 0.000 2.103 536 R HA -0.172 4.169 4.340 0.001 0.000 0.242 536 R C 1.370 177.670 176.300 0.000 0.000 1.142 536 R CA 1.940 58.040 56.100 -0.001 0.000 0.960 536 R CB -0.221 30.081 30.300 0.004 0.000 0.858 536 R HN 0.767 nan 8.270 nan 0.000 0.439 537 E N 0.766 120.965 120.200 -0.002 0.000 2.072 537 E HA -0.181 4.170 4.350 0.001 0.000 0.190 537 E C 1.661 178.261 176.600 -0.001 0.000 0.982 537 E CA 1.006 57.406 56.400 -0.001 0.000 0.803 537 E CB 0.189 29.888 29.700 -0.003 0.000 0.755 537 E HN 0.356 nan 8.360 nan 0.000 0.453 538 E N 0.259 120.457 120.200 -0.003 0.000 2.106 538 E HA -0.192 4.159 4.350 0.001 0.000 0.192 538 E C 2.120 178.720 176.600 0.001 0.000 0.984 538 E CA 0.716 57.115 56.400 -0.001 0.000 0.806 538 E CB -0.031 29.666 29.700 -0.005 0.000 0.750 538 E HN 0.181 nan 8.360 nan 0.000 0.458 539 L N 0.896 122.115 121.223 -0.007 0.000 2.046 539 L HA -0.148 4.193 4.340 0.001 0.000 0.208 539 L C 1.995 178.864 176.870 -0.002 0.000 1.077 539 L CA 1.508 56.342 54.840 -0.011 0.000 0.747 539 L CB -0.323 41.723 42.059 -0.021 0.000 0.896 539 L HN 0.115 nan 8.230 nan 0.000 0.432 540 L N -0.844 120.382 121.223 0.005 0.000 2.093 540 L HA -0.142 4.199 4.340 0.001 0.000 0.208 540 L C 2.599 179.473 176.870 0.007 0.000 1.085 540 L CA 1.077 55.925 54.840 0.013 0.000 0.755 540 L CB -0.805 41.265 42.059 0.018 0.000 0.904 540 L HN 0.350 nan 8.230 nan 0.000 0.435 541 A N -0.138 122.683 122.820 0.002 0.000 1.930 541 A HA -0.096 4.225 4.320 0.001 0.000 0.217 541 A C 2.516 180.092 177.584 -0.014 0.000 1.175 541 A CA 1.514 53.548 52.037 -0.006 0.000 0.627 541 A CB -0.578 18.421 19.000 -0.003 0.000 0.815 541 A HN 0.379 nan 8.150 nan 0.000 0.443 542 A N -0.144 122.686 122.820 0.016 0.000 1.873 542 A HA -0.005 4.316 4.320 0.001 0.000 0.215 542 A C 2.163 179.759 177.584 0.020 0.000 1.186 542 A CA 1.419 53.501 52.037 0.075 0.000 0.616 542 A CB -0.619 18.460 19.000 0.132 0.000 0.823 542 A HN 0.448 nan 8.150 nan 0.000 0.442 543 L N -1.132 120.079 121.223 -0.020 0.000 2.017 543 L HA -0.206 4.135 4.340 0.001 0.000 0.208 543 L C 2.910 179.742 176.870 -0.062 0.000 1.073 543 L CA 1.655 56.440 54.840 -0.091 0.000 0.745 543 L CB -0.422 41.587 42.059 -0.084 0.000 0.894 543 L HN 0.340 nan 8.230 nan 0.000 0.432 544 R N -0.172 120.312 120.500 -0.027 0.000 2.075 544 R HA -0.173 4.168 4.340 0.001 0.000 0.232 544 R C 2.338 178.590 176.300 -0.080 0.000 1.126 544 R CA 1.282 57.374 56.100 -0.013 0.000 0.963 544 R CB -0.226 30.073 30.300 -0.003 0.000 0.858 544 R HN 0.240 nan 8.270 nan 0.000 0.435 545 K N 0.227 120.535 120.400 -0.152 0.000 2.009 545 K HA -0.149 4.172 4.320 0.001 0.000 0.210 545 K C 2.067 178.418 176.600 -0.415 0.000 1.049 545 K CA 1.863 57.984 56.287 -0.276 0.000 0.929 545 K CB -0.395 31.892 32.500 -0.355 0.000 0.714 545 K HN 0.259 nan 8.250 nan 0.000 0.440 546 G N 0.273 108.754 108.800 -0.531 0.000 2.440 546 G HA2 -0.266 3.695 3.960 0.001 0.000 0.218 546 G HA3 -0.266 3.695 3.960 0.001 0.000 0.218 546 G C 1.569 176.399 174.900 -0.118 0.000 1.154 546 G CA 0.957 45.792 45.100 -0.441 0.000 0.767 546 G HN 0.474 nan 8.290 nan 0.000 0.552 547 A N 0.096 122.905 122.820 -0.019 0.000 2.067 547 A HA 0.109 4.430 4.320 0.001 0.000 0.219 547 A C 1.974 179.590 177.584 0.054 0.000 1.158 547 A CA 1.736 53.847 52.037 0.124 0.000 0.661 547 A CB -0.137 19.003 19.000 0.234 0.000 0.801 547 A HN 0.422 nan 8.150 nan 0.000 0.452 548 E N -1.520 118.669 120.200 -0.018 0.000 2.538 548 E HA 0.207 4.558 4.350 0.001 0.000 0.207 548 E C 1.170 177.741 176.600 -0.049 0.000 1.002 548 E CA -0.284 56.102 56.400 -0.024 0.000 0.952 548 E CB 0.297 29.978 29.700 -0.032 0.000 1.031 548 E HN 0.409 nan 8.360 nan 0.000 0.476 549 L N -0.198 120.977 121.223 -0.079 0.000 2.313 549 L HA 0.170 4.511 4.340 0.001 0.000 0.214 549 L C 1.434 178.291 176.870 -0.022 0.000 1.119 549 L CA 1.587 56.375 54.840 -0.086 0.000 0.809 549 L CB -0.131 41.835 42.059 -0.155 0.000 0.933 549 L HN 0.239 nan 8.230 nan 0.000 0.449 550 G N 0.197 108.999 108.800 0.004 0.000 2.203 550 G HA2 -0.325 3.636 3.960 0.001 0.000 0.263 550 G HA3 -0.325 3.636 3.960 0.001 0.000 0.263 550 G C 0.541 175.461 174.900 0.033 0.000 1.012 550 G CA 0.723 45.836 45.100 0.021 0.000 0.749 550 G HN 0.446 nan 8.290 nan 0.000 0.512 551 R N -0.574 119.954 120.500 0.046 0.000 2.739 551 R HA 0.442 4.782 4.340 0.001 0.000 0.271 551 R C -2.693 173.668 176.300 0.103 0.000 1.010 551 R CA -1.800 54.341 56.100 0.067 0.000 0.897 551 R CB 2.406 32.748 30.300 0.069 0.000 1.236 551 R HN 0.054 nan 8.270 nan 0.000 0.466 552 P HA 0.146 nan 4.420 nan 0.000 0.270 552 P C -1.096 176.335 177.300 0.219 0.000 1.223 552 P CA 0.186 63.366 63.100 0.133 0.000 0.785 552 P CB 0.614 32.370 31.700 0.093 0.000 0.923 553 F N 1.324 121.269 119.950 -0.009 0.000 2.650 553 F HA 0.541 5.069 4.527 0.001 0.000 0.310 553 F C -1.802 173.961 175.800 -0.062 0.000 1.112 553 F CA -0.949 57.032 58.000 -0.032 0.000 0.986 553 F CB 1.488 40.461 39.000 -0.045 0.000 1.285 553 F HN 0.190 nan 8.300 nan 0.000 0.440 554 L N 6.229 127.045 121.223 -0.678 0.000 2.370 554 L HA 0.805 5.146 4.340 0.001 0.000 0.266 554 L C -1.652 174.833 176.870 -0.642 0.000 1.002 554 L CA -0.503 54.034 54.840 -0.504 0.000 0.818 554 L CB 1.858 43.721 42.059 -0.326 0.000 1.325 554 L HN 0.594 nan 8.230 nan 0.000 0.418 555 I N 3.500 123.825 120.570 -0.408 0.000 2.499 555 I HA 0.394 4.565 4.170 0.001 0.000 0.288 555 I C -0.806 175.151 176.117 -0.266 0.000 1.048 555 I CA -0.446 60.676 61.300 -0.296 0.000 1.062 555 I CB 1.991 39.885 38.000 -0.177 0.000 1.238 555 I HN 0.587 nan 8.210 nan 0.000 0.426 556 E N 6.184 126.263 120.200 -0.202 0.000 2.175 556 E HA 0.580 4.931 4.350 0.001 0.000 0.278 556 E C -1.676 174.843 176.600 -0.134 0.000 0.969 556 E CA -0.593 55.701 56.400 -0.176 0.000 0.796 556 E CB 1.969 31.630 29.700 -0.065 0.000 1.104 556 E HN 0.378 nan 8.360 nan 0.000 0.395 557 V N 6.987 126.808 119.914 -0.155 0.000 2.407 557 V HA 0.345 4.466 4.120 0.001 0.000 0.291 557 V C -2.257 173.763 176.094 -0.125 0.000 1.018 557 V CA -1.882 60.342 62.300 -0.127 0.000 0.842 557 V CB 1.521 33.260 31.823 -0.140 0.000 0.996 557 V HN 0.696 nan 8.190 nan 0.000 0.426 558 P HA 0.253 nan 4.420 nan 0.000 0.271 558 P C -0.603 176.614 177.300 -0.139 0.000 1.220 558 P CA 0.265 63.309 63.100 -0.093 0.000 0.768 558 P CB 1.407 33.070 31.700 -0.061 0.000 0.848 559 V N 1.025 120.826 119.914 -0.189 0.000 3.160 559 V HA 0.707 4.828 4.120 0.001 0.000 0.310 559 V C -0.741 175.136 176.094 -0.360 0.000 1.181 559 V CA -0.937 61.184 62.300 -0.298 0.000 1.047 559 V CB 2.220 33.807 31.823 -0.394 0.000 1.068 559 V HN 0.451 nan 8.190 nan 0.000 0.441 560 N N -0.763 117.654 118.700 -0.472 0.000 2.774 560 N HA 0.713 5.454 4.740 0.001 0.000 0.264 560 N C -1.103 174.055 175.510 -0.587 0.000 1.415 560 N CA -0.476 52.288 53.050 -0.476 0.000 0.815 560 N CB 1.988 40.329 38.487 -0.243 0.000 1.514 560 N HN 0.757 nan 8.380 nan 0.000 0.523 561 Y N -0.402 119.855 120.300 -0.071 0.000 2.652 561 Y HA 0.240 4.791 4.550 0.001 0.000 0.274 561 Y C 0.791 176.687 175.900 -0.006 0.000 1.148 561 Y CA 0.690 58.825 58.100 0.058 0.000 1.219 561 Y CB -0.210 38.384 38.460 0.223 0.000 1.337 561 Y HN 0.748 nan 8.280 nan 0.000 0.490 562 D N 1.461 121.797 120.400 -0.107 0.000 2.697 562 D HA -0.221 4.420 4.640 0.001 0.000 0.235 562 D C -0.092 176.273 176.300 0.108 0.000 1.167 562 D CA 0.877 54.838 54.000 -0.066 0.000 0.656 562 D CB -2.720 38.098 40.800 0.029 0.000 1.025 562 D HN 0.293 nan 8.370 nan 0.000 0.419 563 F N -2.401 117.730 119.950 0.302 0.000 2.403 563 F HA 0.651 5.179 4.527 0.001 0.000 0.320 563 F C 0.738 176.702 175.800 0.274 0.000 1.176 563 F CA -2.140 56.068 58.000 0.347 0.000 1.206 563 F CB 0.901 40.040 39.000 0.231 0.000 1.235 563 F HN 0.053 nan 8.300 nan 0.000 0.565 564 Q N 2.257 122.431 119.800 0.623 0.000 2.462 564 Q HA 0.390 4.731 4.340 0.001 0.000 0.247 564 Q C -1.921 174.334 176.000 0.426 0.000 1.044 564 Q CA -2.179 53.869 55.803 0.409 0.000 0.803 564 Q CB 1.327 30.222 28.738 0.261 0.000 1.190 564 Q HN 0.277 nan 8.270 nan 0.000 0.507 565 P HA -0.195 nan 4.420 nan 0.000 0.216 565 P C 0.949 178.417 177.300 0.281 0.000 1.154 565 P CA 1.525 64.773 63.100 0.247 0.000 0.865 565 P CB 0.244 32.051 31.700 0.179 0.000 0.789 566 G N -0.759 108.160 108.800 0.198 0.000 2.535 566 G HA2 -0.122 3.839 3.960 0.001 0.000 0.218 566 G HA3 -0.122 3.839 3.960 0.001 0.000 0.218 566 G C 1.514 176.446 174.900 0.053 0.000 1.122 566 G CA 0.734 45.908 45.100 0.123 0.000 0.769 566 G HN 0.447 nan 8.290 nan 0.000 0.549 567 G N -0.403 108.384 108.800 -0.023 0.000 3.042 567 G HA2 0.252 4.213 3.960 0.001 0.000 0.212 567 G HA3 0.252 4.213 3.960 0.001 0.000 0.212 567 G C 0.377 175.041 174.900 -0.394 0.000 1.166 567 G CA -0.345 44.607 45.100 -0.245 0.000 0.767 567 G HN 0.315 nan 8.290 nan 0.000 0.546 568 F N 0.949 120.866 119.950 -0.055 0.000 2.850 568 F HA 0.316 4.844 4.527 0.001 0.000 0.306 568 F C 2.027 177.744 175.800 -0.138 0.000 1.162 568 F CA -0.609 57.315 58.000 -0.127 0.000 1.327 568 F CB 0.808 39.684 39.000 -0.206 0.000 0.953 568 F HN 0.060 nan 8.300 nan 0.000 0.507 569 G N 0.280 109.088 108.800 0.013 0.000 2.479 569 G HA2 -0.219 3.742 3.960 0.001 0.000 0.220 569 G HA3 -0.219 3.742 3.960 0.001 0.000 0.220 569 G C 1.831 176.710 174.900 -0.035 0.000 1.115 569 G CA 0.900 45.994 45.100 -0.010 0.000 0.757 569 G HN 0.457 nan 8.290 nan 0.000 0.560 570 A N 0.401 123.192 122.820 -0.048 0.000 2.121 570 A HA 0.212 4.533 4.320 0.001 0.000 0.218 570 A C 2.135 179.659 177.584 -0.100 0.000 1.154 570 A CA 0.570 52.567 52.037 -0.068 0.000 0.679 570 A CB -0.215 18.749 19.000 -0.060 0.000 0.795 570 A HN 0.382 nan 8.150 nan 0.000 0.458 571 L N 0.022 121.172 121.223 -0.123 0.000 2.610 571 L HA 0.030 4.371 4.340 0.001 0.000 0.232 571 L C 0.674 177.497 176.870 -0.078 0.000 1.149 571 L CA -0.196 54.550 54.840 -0.157 0.000 0.872 571 L CB -0.364 41.555 42.059 -0.234 0.000 0.992 571 L HN 0.193 nan 8.230 nan 0.000 0.447 572 S N 0.000 115.663 115.700 -0.061 0.000 2.498 572 S HA 0.000 4.471 4.470 0.001 0.000 0.327 572 S CA 0.000 58.173 58.200 -0.046 0.000 1.107 572 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517